smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164838808 720672479 /nfs/dbraw/zinc/67/24/79/720672479.db2.gz HQQKLIVNNBVDLR-LJQANCHMSA-N 1 1 396.491 3.558 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792324 721496693 /nfs/dbraw/zinc/49/66/93/721496693.db2.gz OPOILUVFLJOYRM-UHFFFAOYSA-N 1 1 395.507 3.883 20 5 GHBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001164924958 721865027 /nfs/dbraw/zinc/86/50/27/721865027.db2.gz MFXGEDJQEZQZLH-ZWKOTPCHSA-N 1 1 395.938 3.651 20 5 GHBDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001164924958 721865031 /nfs/dbraw/zinc/86/50/31/721865031.db2.gz MFXGEDJQEZQZLH-ZWKOTPCHSA-N 1 1 395.938 3.651 20 5 GHBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000133911975 837405145 /nfs/dbraw/zinc/40/51/45/837405145.db2.gz DMLPXILHFCUKLI-UGSOOPFHSA-N 1 1 395.381 3.858 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549079324 837486210 /nfs/dbraw/zinc/48/62/10/837486210.db2.gz XRNJAHAWIWRGBQ-FQEVSTJZSA-N 1 1 389.402 3.942 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549079324 837486205 /nfs/dbraw/zinc/48/62/05/837486205.db2.gz XRNJAHAWIWRGBQ-FQEVSTJZSA-N 1 1 389.402 3.942 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001267591170 837502426 /nfs/dbraw/zinc/50/24/26/837502426.db2.gz MCTNGJPOZVMRRN-QFBILLFUSA-N 1 1 397.475 3.632 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000536033836 834404254 /nfs/dbraw/zinc/40/42/54/834404254.db2.gz AMJPVXXMJFKFHE-LJQANCHMSA-N 1 1 397.475 3.736 20 5 GHBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128173587 834531119 /nfs/dbraw/zinc/53/11/19/834531119.db2.gz YUPUUZFUYBOJRI-IBGZPJMESA-N 1 1 395.415 3.729 20 5 GHBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128173587 834531127 /nfs/dbraw/zinc/53/11/27/834531127.db2.gz YUPUUZFUYBOJRI-IBGZPJMESA-N 1 1 395.415 3.729 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430154506 834620531 /nfs/dbraw/zinc/62/05/31/834620531.db2.gz XIHLZOQYCXXFQH-KXBFYZLASA-N 1 1 386.448 3.528 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000186885126 834680359 /nfs/dbraw/zinc/68/03/59/834680359.db2.gz UCOMWOLWFLPAIW-UHFFFAOYSA-N 1 1 395.818 3.859 20 5 GHBDMO CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001125682295 834696456 /nfs/dbraw/zinc/69/64/56/834696456.db2.gz JBGQSALNIQSKNI-IBGZPJMESA-N 1 1 375.513 3.725 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000179186820 835010680 /nfs/dbraw/zinc/01/06/80/835010680.db2.gz DRBFTGGEGHEYOX-QKYXUNIQSA-N 1 1 382.464 3.709 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000136099491 835085205 /nfs/dbraw/zinc/08/52/05/835085205.db2.gz VUXSAVPYMSTNTI-HNNXBMFYSA-N 1 1 379.526 3.949 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1 ZINC000610223474 835254383 /nfs/dbraw/zinc/25/43/83/835254383.db2.gz LNLLBCJYXMKBHI-OAQYLSRUSA-N 1 1 381.476 3.716 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120467796 835398657 /nfs/dbraw/zinc/39/86/57/835398657.db2.gz YUYQQOWQWYLEGJ-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120467796 835398661 /nfs/dbraw/zinc/39/86/61/835398661.db2.gz YUYQQOWQWYLEGJ-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000254993171 835562286 /nfs/dbraw/zinc/56/22/86/835562286.db2.gz RCEXPOLCGBKGNS-DBBZSVRUSA-N 1 1 379.460 3.589 20 5 GHBDMO CC[C@H](O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000134491150 835753750 /nfs/dbraw/zinc/75/37/50/835753750.db2.gz URKUGTMRMZKGDH-IBGZPJMESA-N 1 1 385.464 3.505 20 5 GHBDMO O=C1OCCN1c1cccc2c1CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000255770238 835780748 /nfs/dbraw/zinc/78/07/48/835780748.db2.gz JYZYAZTZUXFOOY-DAXSKMNVSA-N 1 1 379.416 3.623 20 5 GHBDMO O=C1OCCN1c1cccc2c1CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000255770238 835780756 /nfs/dbraw/zinc/78/07/56/835780756.db2.gz JYZYAZTZUXFOOY-DAXSKMNVSA-N 1 1 379.416 3.623 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000500861373 844095866 /nfs/dbraw/zinc/09/58/66/844095866.db2.gz JLJXDQNVZRVCOB-QFBILLFUSA-N 1 1 392.459 3.501 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000134612821 835870284 /nfs/dbraw/zinc/87/02/84/835870284.db2.gz UPISESQNZPGBOG-GFCCVEGCSA-N 1 1 376.425 3.922 20 5 GHBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000136252639 835920202 /nfs/dbraw/zinc/92/02/02/835920202.db2.gz LDXCPEXWYFFHJL-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000136252639 835920205 /nfs/dbraw/zinc/92/02/05/835920205.db2.gz LDXCPEXWYFFHJL-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000278753522 835962781 /nfs/dbraw/zinc/96/27/81/835962781.db2.gz UMNVWMFMFVNVDF-UHFFFAOYSA-N 1 1 375.812 3.635 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000053087875 836051983 /nfs/dbraw/zinc/05/19/83/836051983.db2.gz JUIKJKYZAVXAFU-ZDUSSCGKSA-N 1 1 375.400 3.764 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000053087875 836051995 /nfs/dbraw/zinc/05/19/95/836051995.db2.gz JUIKJKYZAVXAFU-ZDUSSCGKSA-N 1 1 375.400 3.764 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000411132014 836064616 /nfs/dbraw/zinc/06/46/16/836064616.db2.gz KJANBXCXZBZEEA-GOSISDBHSA-N 1 1 387.411 3.908 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134900252 836206510 /nfs/dbraw/zinc/20/65/10/836206510.db2.gz QGQYODRYPFXQNH-ZSZQSSIHSA-N 1 1 397.479 3.655 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000411817412 836367038 /nfs/dbraw/zinc/36/70/38/836367038.db2.gz JDDVNIBBLCEQAU-AWEZNQCLSA-N 1 1 389.427 3.634 20 5 GHBDMO CCC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417519 836630964 /nfs/dbraw/zinc/63/09/64/836630964.db2.gz RVJAITWMOWHXIO-UHFFFAOYSA-N 1 1 399.495 3.588 20 5 GHBDMO CCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417519 836630972 /nfs/dbraw/zinc/63/09/72/836630972.db2.gz RVJAITWMOWHXIO-UHFFFAOYSA-N 1 1 399.495 3.588 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000247057854 836672871 /nfs/dbraw/zinc/67/28/71/836672871.db2.gz NXMDXBGJGYPZBQ-OXQOHEQNSA-N 1 1 383.448 3.551 20 5 GHBDMO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000892586107 836782192 /nfs/dbraw/zinc/78/21/92/836782192.db2.gz ZWDXJNUKJJJFFA-KBPBESRZSA-N 1 1 390.871 3.547 20 5 GHBDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[N@H+]2C2CC2)c1 ZINC000180065326 837058721 /nfs/dbraw/zinc/05/87/21/837058721.db2.gz PDONVOIERWDZCT-WOJBJXKFSA-N 1 1 396.447 3.703 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000176224952 837237236 /nfs/dbraw/zinc/23/72/36/837237236.db2.gz GYRFPHSVNCEFKT-UHFFFAOYSA-N 1 1 382.464 3.870 20 5 GHBDMO CCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471423850 837851419 /nfs/dbraw/zinc/85/14/19/837851419.db2.gz KDTMGQRPPQGWDJ-KRWDZBQOSA-N 1 1 381.476 3.894 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000412240498 837884662 /nfs/dbraw/zinc/88/46/62/837884662.db2.gz AIGHHEFWRHLULU-GUMYABAYSA-N 1 1 393.487 3.725 20 5 GHBDMO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000412240504 837884791 /nfs/dbraw/zinc/88/47/91/837884791.db2.gz AIGHHEFWRHLULU-ZKMOHVOUSA-N 1 1 393.487 3.725 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000177149759 837892798 /nfs/dbraw/zinc/89/27/98/837892798.db2.gz IHSNKGBFIZDHSO-FQEVSTJZSA-N 1 1 397.475 3.565 20 5 GHBDMO O=C(CC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000549412171 838779083 /nfs/dbraw/zinc/77/90/83/838779083.db2.gz MOKQMYGSAUIFFS-IBGZPJMESA-N 1 1 375.375 3.633 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@](F)(c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000549412171 838779087 /nfs/dbraw/zinc/77/90/87/838779087.db2.gz MOKQMYGSAUIFFS-IBGZPJMESA-N 1 1 375.375 3.633 20 5 GHBDMO C[N@H+](CC(C)(C)O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000177730892 839017410 /nfs/dbraw/zinc/01/74/10/839017410.db2.gz NAAIAWAOCPYQKM-QGZVFWFLSA-N 1 1 391.855 3.631 20 5 GHBDMO C[N@@H+](CC(C)(C)O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000177730892 839017417 /nfs/dbraw/zinc/01/74/17/839017417.db2.gz NAAIAWAOCPYQKM-QGZVFWFLSA-N 1 1 391.855 3.631 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000397966424 844394991 /nfs/dbraw/zinc/39/49/91/844394991.db2.gz GZYASUQCJLWFBW-BBRMVZONSA-N 1 1 383.477 3.922 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000025396208 844411440 /nfs/dbraw/zinc/41/14/40/844411440.db2.gz QSLLHPQGEYGJTQ-GFCCVEGCSA-N 1 1 377.828 3.936 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415123325 839243083 /nfs/dbraw/zinc/24/30/83/839243083.db2.gz JJXIBHABDGNORS-APWZRJJASA-N 1 1 399.491 3.599 20 5 GHBDMO COc1cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415123325 839243093 /nfs/dbraw/zinc/24/30/93/839243093.db2.gz JJXIBHABDGNORS-APWZRJJASA-N 1 1 399.491 3.599 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000610446117 839708428 /nfs/dbraw/zinc/70/84/28/839708428.db2.gz RHWZMESOAOJIJG-QGZVFWFLSA-N 1 1 397.475 3.730 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000610446116 839713026 /nfs/dbraw/zinc/71/30/26/839713026.db2.gz RHWZMESOAOJIJG-KRWDZBQOSA-N 1 1 397.475 3.730 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412146194 839813924 /nfs/dbraw/zinc/81/39/24/839813924.db2.gz FCNJWWVYGIMVAR-YUXAGFNASA-N 1 1 393.487 3.679 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458238042 844488534 /nfs/dbraw/zinc/48/85/34/844488534.db2.gz ZJNUPALQZFVMHE-HNNXBMFYSA-N 1 1 379.526 3.805 20 5 GHBDMO CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000046935664 844503885 /nfs/dbraw/zinc/50/38/85/844503885.db2.gz HKYTYZYAPJGMBS-UHFFFAOYSA-N 1 1 385.464 3.764 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275943816 840108216 /nfs/dbraw/zinc/10/82/16/840108216.db2.gz JQXSEKZCSRUMQI-HNNXBMFYSA-N 1 1 399.441 3.974 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCOc1ccccc1Cl ZINC000015103380 840227484 /nfs/dbraw/zinc/22/74/84/840227484.db2.gz ODKGLQMKFILXBO-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCOc1ccccc1Cl ZINC000015103380 840227487 /nfs/dbraw/zinc/22/74/87/840227487.db2.gz ODKGLQMKFILXBO-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000512557512 844518461 /nfs/dbraw/zinc/51/84/61/844518461.db2.gz SOMGOMZLSNSZBK-UONOGXRCSA-N 1 1 399.438 3.713 20 5 GHBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000512557512 844518463 /nfs/dbraw/zinc/51/84/63/844518463.db2.gz SOMGOMZLSNSZBK-UONOGXRCSA-N 1 1 399.438 3.713 20 5 GHBDMO Cc1sc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000511732085 840570006 /nfs/dbraw/zinc/57/00/06/840570006.db2.gz WKZPXLIPDHAFLA-GOSISDBHSA-N 1 1 387.505 3.995 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000511838236 840916890 /nfs/dbraw/zinc/91/68/90/840916890.db2.gz MZAXCMDXEQLESR-ZDFPQIBNSA-N 1 1 382.460 3.603 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001266688810 840941844 /nfs/dbraw/zinc/94/18/44/840941844.db2.gz WITVRBZMYVWUHB-PKOBYXMFSA-N 1 1 381.476 3.852 20 5 GHBDMO Cc1csc(C[C@@H]2CC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000933124036 840952562 /nfs/dbraw/zinc/95/25/62/840952562.db2.gz VEWXAZOJJUNFRJ-HNNXBMFYSA-N 1 1 388.493 3.561 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000176173810 844634169 /nfs/dbraw/zinc/63/41/69/844634169.db2.gz NVBMLHFRRYRYTC-SFHVURJKSA-N 1 1 375.856 3.600 20 5 GHBDMO Cc1cc2ncn(C[C@@H](O)C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)c2cc1C ZINC000135237719 841415120 /nfs/dbraw/zinc/41/51/20/841415120.db2.gz VVBQREIDZACOAY-IBGZPJMESA-N 1 1 394.475 3.587 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](Cc3ccccc3)C3(CO)CCCC3)nc2c1 ZINC000599431815 861203467 /nfs/dbraw/zinc/20/34/67/861203467.db2.gz PBZPCQFZENQYGN-UHFFFAOYSA-N 1 1 380.448 3.778 20 5 GHBDMO COc1cc(C[NH+]2CCC(OC3CCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000418087705 841491639 /nfs/dbraw/zinc/49/16/39/841491639.db2.gz DCEUDIJWYFHIES-UHFFFAOYSA-N 1 1 386.395 3.738 20 5 GHBDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000500137253 841508509 /nfs/dbraw/zinc/50/85/09/841508509.db2.gz HSSRKQIRHNYBRV-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000500137253 841508513 /nfs/dbraw/zinc/50/85/13/841508513.db2.gz HSSRKQIRHNYBRV-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510433721 841721797 /nfs/dbraw/zinc/72/17/97/841721797.db2.gz GZVZSDXXMSVXOR-SFHVURJKSA-N 1 1 393.447 3.529 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000109103361 841784783 /nfs/dbraw/zinc/78/47/83/841784783.db2.gz ICQADOJRLJONKW-LJQANCHMSA-N 1 1 397.475 3.913 20 5 GHBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000123740972 841833385 /nfs/dbraw/zinc/83/33/85/841833385.db2.gz UJTWCFUETSJTTA-SFHVURJKSA-N 1 1 396.491 3.621 20 5 GHBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133755 841849974 /nfs/dbraw/zinc/84/99/74/841849974.db2.gz BCCWQFCPAOTNOR-LAUBAEHRSA-N 1 1 383.448 3.633 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000477269827 841931596 /nfs/dbraw/zinc/93/15/96/841931596.db2.gz ALIHGBKZPREUHV-KRWDZBQOSA-N 1 1 387.867 3.951 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000477255934 841941067 /nfs/dbraw/zinc/94/10/67/841941067.db2.gz NLIRFXVZPKYTEQ-NRFANRHFSA-N 1 1 395.503 3.899 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000477292664 841969453 /nfs/dbraw/zinc/96/94/53/841969453.db2.gz OMDGXWHUJFOMFF-FQEVSTJZSA-N 1 1 397.475 3.634 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048280123 842130928 /nfs/dbraw/zinc/13/09/28/842130928.db2.gz VKCPDPIOPDUVNR-IBGZPJMESA-N 1 1 383.452 3.508 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@H+]1Cc1ccccc1 ZINC000157929146 842173151 /nfs/dbraw/zinc/17/31/51/842173151.db2.gz MXRFLNOABZFOGM-NVXWUHKLSA-N 1 1 390.443 3.536 20 5 GHBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)O1 ZINC000302548726 861299368 /nfs/dbraw/zinc/29/93/68/861299368.db2.gz VKYUSQJRZZDQFZ-ZIFCJYIRSA-N 1 1 396.491 3.735 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000512128304 842587584 /nfs/dbraw/zinc/58/75/84/842587584.db2.gz PRDOXMDYPCFWSV-OAHLLOKOSA-N 1 1 380.448 3.719 20 5 GHBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178301999 842776079 /nfs/dbraw/zinc/77/60/79/842776079.db2.gz WGDFCLLSQIKHLV-WMZOPIPTSA-N 1 1 385.489 3.783 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000600228971 861349994 /nfs/dbraw/zinc/34/99/94/861349994.db2.gz ILPKQJRHNNMQRM-CQSZACIVSA-N 1 1 385.386 3.750 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000609494305 842872038 /nfs/dbraw/zinc/87/20/38/842872038.db2.gz FLEXHOGTQFVGFU-LJQANCHMSA-N 1 1 397.479 3.817 20 5 GHBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430756483 842939869 /nfs/dbraw/zinc/93/98/69/842939869.db2.gz SYJXXJQWGUIAFP-VIFPVBQESA-N 1 1 385.317 3.658 20 5 GHBDMO CCOc1cc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000512212568 843106785 /nfs/dbraw/zinc/10/67/85/843106785.db2.gz LGIAGXUMQCFAGD-UHFFFAOYSA-N 1 1 382.420 3.718 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566321 843116663 /nfs/dbraw/zinc/11/66/63/843116663.db2.gz ARSKFARMCFYJPH-SJLPKXTDSA-N 1 1 390.411 3.800 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000933818055 843324689 /nfs/dbraw/zinc/32/46/89/843324689.db2.gz VCJBGFCIGKFNFP-NYVOZVTQSA-N 1 1 393.487 3.679 20 5 GHBDMO COc1ccc(NC(=O)C[NH+]2CCC(C)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000510806578 843528042 /nfs/dbraw/zinc/52/80/42/843528042.db2.gz MHNVQANCGZHSOT-UHFFFAOYSA-N 1 1 383.448 3.596 20 5 GHBDMO CCOc1cc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276851583 843552858 /nfs/dbraw/zinc/55/28/58/843552858.db2.gz DSPHGOCCBLIDQP-IYJVBRSBSA-N 1 1 376.478 3.924 20 5 GHBDMO CCOc1cc(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276851583 843552871 /nfs/dbraw/zinc/55/28/71/843552871.db2.gz DSPHGOCCBLIDQP-IYJVBRSBSA-N 1 1 376.478 3.924 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(Cc4nc(C5CCC5)no4)CC3)nc2c1 ZINC000599640052 861434548 /nfs/dbraw/zinc/43/45/48/861434548.db2.gz AFXIHSXJTDTHIQ-UHFFFAOYSA-N 1 1 397.435 3.841 20 5 GHBDMO CCOC(=O)c1cc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000610716160 843686167 /nfs/dbraw/zinc/68/61/67/843686167.db2.gz XVMDAUNMWQQLBL-SFHVURJKSA-N 1 1 394.431 3.901 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCCC1 ZINC000431163142 843741776 /nfs/dbraw/zinc/74/17/76/843741776.db2.gz MGUNYXVPFRSQPP-UHFFFAOYSA-N 1 1 398.301 3.742 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1F ZINC000599678160 861475662 /nfs/dbraw/zinc/47/56/62/861475662.db2.gz JDKDBCAHNFFXLQ-OAHLLOKOSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1F ZINC000599678160 861475665 /nfs/dbraw/zinc/47/56/65/861475665.db2.gz JDKDBCAHNFFXLQ-OAHLLOKOSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000512481033 843966968 /nfs/dbraw/zinc/96/69/68/843966968.db2.gz RPHMZBRRUQOFAC-GXTWGEPZSA-N 1 1 388.411 3.720 20 5 GHBDMO C[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+](C2CCC2)C1 ZINC000432914538 844640099 /nfs/dbraw/zinc/64/00/99/844640099.db2.gz SIARDFDCSQFLHV-GFCCVEGCSA-N 1 1 398.410 3.534 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000128882581 844837460 /nfs/dbraw/zinc/83/74/60/844837460.db2.gz ZFBQZCHTYKIPJL-IRXDYDNUSA-N 1 1 376.501 3.631 20 5 GHBDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610944702 844876065 /nfs/dbraw/zinc/87/60/65/844876065.db2.gz MJHMLHLQCRHNFV-FQEVSTJZSA-N 1 1 395.459 3.720 20 5 GHBDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610944702 844876069 /nfs/dbraw/zinc/87/60/69/844876069.db2.gz MJHMLHLQCRHNFV-FQEVSTJZSA-N 1 1 395.459 3.720 20 5 GHBDMO Cc1cccc(C[NH+]2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000429846998 845140480 /nfs/dbraw/zinc/14/04/80/845140480.db2.gz MYWMLBZGBTUUGX-UHFFFAOYSA-N 1 1 381.476 3.525 20 5 GHBDMO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CCS1 ZINC000538725588 845586496 /nfs/dbraw/zinc/58/64/96/845586496.db2.gz HOLFSPFJUKOOIK-GFCCVEGCSA-N 1 1 394.415 3.872 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CCS1 ZINC000538725588 845586502 /nfs/dbraw/zinc/58/65/02/845586502.db2.gz HOLFSPFJUKOOIK-GFCCVEGCSA-N 1 1 394.415 3.872 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000071937824 845885750 /nfs/dbraw/zinc/88/57/50/845885750.db2.gz MEUQBLLPBWJQFK-INIZCTEOSA-N 1 1 383.448 3.987 20 5 GHBDMO Cc1cnc(CC[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000157314254 845936266 /nfs/dbraw/zinc/93/62/66/845936266.db2.gz XWCZTPHXWICUOU-LLVKDONJSA-N 1 1 382.873 3.515 20 5 GHBDMO Cc1cnc(CC[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000157314254 845936268 /nfs/dbraw/zinc/93/62/68/845936268.db2.gz XWCZTPHXWICUOU-LLVKDONJSA-N 1 1 382.873 3.515 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000071954893 845975488 /nfs/dbraw/zinc/97/54/88/845975488.db2.gz REAVBMUPZWUHCE-HNNXBMFYSA-N 1 1 382.464 3.680 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000367067399 846534708 /nfs/dbraw/zinc/53/47/08/846534708.db2.gz RJPWHWPOFZREOV-RHSMWYFYSA-N 1 1 389.477 3.573 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511090058 846575505 /nfs/dbraw/zinc/57/55/05/846575505.db2.gz HTCMHOCVMCKPOT-ZDUSSCGKSA-N 1 1 393.390 3.698 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511090058 846575515 /nfs/dbraw/zinc/57/55/15/846575515.db2.gz HTCMHOCVMCKPOT-ZDUSSCGKSA-N 1 1 393.390 3.698 20 5 GHBDMO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413125818 846677888 /nfs/dbraw/zinc/67/78/88/846677888.db2.gz JDHXMXWRHCCRFR-GOSISDBHSA-N 1 1 398.488 3.714 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000511093307 846691412 /nfs/dbraw/zinc/69/14/12/846691412.db2.gz VHXKOHOURHMYDZ-UHFFFAOYSA-N 1 1 397.504 3.735 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000511093307 846691421 /nfs/dbraw/zinc/69/14/21/846691421.db2.gz VHXKOHOURHMYDZ-UHFFFAOYSA-N 1 1 397.504 3.735 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(COc2ccccc2)CC1 ZINC000303466805 861733971 /nfs/dbraw/zinc/73/39/71/861733971.db2.gz GVJSJEXAWTYGJD-MRXNPFEDSA-N 1 1 383.448 3.713 20 5 GHBDMO C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501592649 847045997 /nfs/dbraw/zinc/04/59/97/847045997.db2.gz LIKLQJWJLCFGQY-CVEARBPZSA-N 1 1 392.459 3.811 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C(F)(F)F)c1 ZINC000413289508 847100694 /nfs/dbraw/zinc/10/06/94/847100694.db2.gz YODXKOQHGLMEEF-LBPRGKRZSA-N 1 1 395.385 3.925 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCC[C@H]3OCc3ccccc3)n2)c1 ZINC000503527430 847758378 /nfs/dbraw/zinc/75/83/78/847758378.db2.gz YVWCXKNGBSJRAN-RBUKOAKNSA-N 1 1 394.431 3.872 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CCC[C@H]3OCc3ccccc3)o2)cc1 ZINC000503515905 847762806 /nfs/dbraw/zinc/76/28/06/847762806.db2.gz IXLMHORPBNCIMM-RBUKOAKNSA-N 1 1 394.431 3.872 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709663 848059092 /nfs/dbraw/zinc/05/90/92/848059092.db2.gz SEJXIWWNNZLOMJ-KXBFYZLASA-N 1 1 377.448 3.861 20 5 GHBDMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000755207093 848146602 /nfs/dbraw/zinc/14/66/02/848146602.db2.gz OUCBOHYSIMADGO-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000162678934 861885756 /nfs/dbraw/zinc/88/57/56/861885756.db2.gz YRSSPHUVBFIEGF-KSSFIOAISA-N 1 1 389.521 3.796 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000132132190 861917048 /nfs/dbraw/zinc/91/70/48/861917048.db2.gz MKOLTAMDJQEMKO-SJLPKXTDSA-N 1 1 397.475 3.729 20 5 GHBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000604176473 861933702 /nfs/dbraw/zinc/93/37/02/861933702.db2.gz ZZAHVULKASBRBJ-UHFFFAOYSA-N 1 1 393.447 3.532 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132387757 862046432 /nfs/dbraw/zinc/04/64/32/862046432.db2.gz FURXULGQTMRHKR-RTWAWAEBSA-N 1 1 393.487 3.650 20 5 GHBDMO CC1(C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000434844156 849810986 /nfs/dbraw/zinc/81/09/86/849810986.db2.gz YPJCZLLVSWVNDL-UHFFFAOYSA-N 1 1 380.448 3.832 20 5 GHBDMO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184013252 849929267 /nfs/dbraw/zinc/92/92/67/849929267.db2.gz OGNDMIGOYNOVDK-QGZVFWFLSA-N 1 1 393.447 3.746 20 5 GHBDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184013252 849929272 /nfs/dbraw/zinc/92/92/72/849929272.db2.gz OGNDMIGOYNOVDK-QGZVFWFLSA-N 1 1 393.447 3.746 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc2)C1 ZINC000486758782 850061804 /nfs/dbraw/zinc/06/18/04/850061804.db2.gz LRTKZASPTPQEQI-AWEZNQCLSA-N 1 1 397.431 3.808 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000514683208 850135516 /nfs/dbraw/zinc/13/55/16/850135516.db2.gz UJNHLMZYBGYTTR-ROUUACIJSA-N 1 1 387.524 3.985 20 5 GHBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000505628591 850216828 /nfs/dbraw/zinc/21/68/28/850216828.db2.gz AFFUSHIZQKNECT-UHFFFAOYSA-N 1 1 377.391 3.561 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000024960961 850333107 /nfs/dbraw/zinc/33/31/07/850333107.db2.gz FTIDILJOYQWNAP-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000024960961 850333114 /nfs/dbraw/zinc/33/31/14/850333114.db2.gz FTIDILJOYQWNAP-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000435372852 850420966 /nfs/dbraw/zinc/42/09/66/850420966.db2.gz LENVGPAWTJHCLN-NEPJUHHUSA-N 1 1 394.269 3.786 20 5 GHBDMO CCOc1ccc([C@H](C)NCC(C)(C)[NH+]2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000504905868 850436204 /nfs/dbraw/zinc/43/62/04/850436204.db2.gz OZUXAMYYXPLZQS-HNNXBMFYSA-N 1 1 379.501 3.534 20 5 GHBDMO C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487273767 850633219 /nfs/dbraw/zinc/63/32/19/850633219.db2.gz VCNQHIWXXFPCKW-GOEBONIOSA-N 1 1 387.867 3.889 20 5 GHBDMO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487284867 850646751 /nfs/dbraw/zinc/64/67/51/850646751.db2.gz GAJBPYMFXJSBIJ-NVXWUHKLSA-N 1 1 393.443 3.981 20 5 GHBDMO CCC[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506761542 850798587 /nfs/dbraw/zinc/79/85/87/850798587.db2.gz ZAWCCLZAWYGLCY-UHFFFAOYSA-N 1 1 383.242 3.822 20 5 GHBDMO CC[N@H+]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000426615889 850959340 /nfs/dbraw/zinc/95/93/40/850959340.db2.gz OVVMKGQRIBUAKT-UHFFFAOYSA-N 1 1 385.489 3.914 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435936060 851009456 /nfs/dbraw/zinc/00/94/56/851009456.db2.gz FUNYSSNXSOPLFB-LJQANCHMSA-N 1 1 397.478 3.686 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435936060 851009463 /nfs/dbraw/zinc/00/94/63/851009463.db2.gz FUNYSSNXSOPLFB-LJQANCHMSA-N 1 1 397.478 3.686 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000425440904 851084666 /nfs/dbraw/zinc/08/46/66/851084666.db2.gz FFYKURLGBSCPKB-SFHVURJKSA-N 1 1 391.265 3.671 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000488055851 851127910 /nfs/dbraw/zinc/12/79/10/851127910.db2.gz JINUFOIDYRAOAS-BEFAXECRSA-N 1 1 385.439 3.884 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000488055851 851127915 /nfs/dbraw/zinc/12/79/15/851127915.db2.gz JINUFOIDYRAOAS-BEFAXECRSA-N 1 1 385.439 3.884 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000604474371 862215274 /nfs/dbraw/zinc/21/52/74/862215274.db2.gz CPNADCOPIYTBMB-LJQANCHMSA-N 1 1 396.491 3.648 20 5 GHBDMO CC(C)NC(=O)c1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000514081064 851214863 /nfs/dbraw/zinc/21/48/63/851214863.db2.gz AOLUAHQOQYHYLP-LJQANCHMSA-N 1 1 396.491 3.810 20 5 GHBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000514081062 851215164 /nfs/dbraw/zinc/21/51/64/851215164.db2.gz AOLUAHQOQYHYLP-IBGZPJMESA-N 1 1 396.491 3.810 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436155651 851269307 /nfs/dbraw/zinc/26/93/07/851269307.db2.gz SHQUPAXYBQUUPC-INIZCTEOSA-N 1 1 391.515 3.922 20 5 GHBDMO CC(C)(C)c1ccc(Oc2ccc(C[N@H+]3CC[C@H](C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000505455535 851390994 /nfs/dbraw/zinc/39/09/94/851390994.db2.gz NBXRWHWQDBLWNC-INIZCTEOSA-N 1 1 397.475 3.992 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000488485948 851557629 /nfs/dbraw/zinc/55/76/29/851557629.db2.gz WLUPXXKOZUDCQH-MGPUTAFESA-N 1 1 392.459 3.717 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@]4(CC[N@H+](C)C4)C3)c([N+](=O)[O-])c2)cc1 ZINC000488719257 851723328 /nfs/dbraw/zinc/72/33/28/851723328.db2.gz NWUAWHHEYRHOCB-QFIPXVFZSA-N 1 1 394.475 3.688 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000489344135 852246938 /nfs/dbraw/zinc/24/69/38/852246938.db2.gz XNSFSCJHKMMTOT-XGHQBKJUSA-N 1 1 396.491 3.866 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000489896825 852630652 /nfs/dbraw/zinc/63/06/52/852630652.db2.gz GGWPTOSAQQTTRV-DLBZAZTESA-N 1 1 376.501 3.918 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000489931088 852652540 /nfs/dbraw/zinc/65/25/40/852652540.db2.gz PMTSYQQZMRRTAU-PKOBYXMFSA-N 1 1 382.464 3.575 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437044547 852667830 /nfs/dbraw/zinc/66/78/30/852667830.db2.gz IHOIDWAADVLOFM-OAHLLOKOSA-N 1 1 385.386 3.608 20 5 GHBDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000481847348 862394368 /nfs/dbraw/zinc/39/43/68/862394368.db2.gz KVZFZLLIOHEKEV-CQSZACIVSA-N 1 1 381.274 3.507 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000427189159 852837422 /nfs/dbraw/zinc/83/74/22/852837422.db2.gz JFFJBSDPQMLDHG-SFHVURJKSA-N 1 1 397.475 3.776 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000516654679 852844938 /nfs/dbraw/zinc/84/49/38/852844938.db2.gz RCDOQTQDPYUPJY-OAQYLSRUSA-N 1 1 382.464 3.998 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)nc1 ZINC000543859858 853259791 /nfs/dbraw/zinc/25/97/91/853259791.db2.gz FTFPHKCKPOEJNT-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)nc1 ZINC000543859858 853259802 /nfs/dbraw/zinc/25/98/02/853259802.db2.gz FTFPHKCKPOEJNT-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO O=c1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2c(ccc3ccccc32)o1 ZINC000295720102 853318212 /nfs/dbraw/zinc/31/82/12/853318212.db2.gz VFWGRIPNBRJIOE-FUHWJXTLSA-N 1 1 398.462 3.727 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000138797569 853403211 /nfs/dbraw/zinc/40/32/11/853403211.db2.gz AFOKDXMMSOQKIQ-LJQANCHMSA-N 1 1 381.432 3.694 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1c1ccccc1 ZINC000491114730 853444088 /nfs/dbraw/zinc/44/40/88/853444088.db2.gz BEKRIKUXUBVBME-SJORKVTESA-N 1 1 393.365 3.789 20 5 GHBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044520774 853489276 /nfs/dbraw/zinc/48/92/76/853489276.db2.gz YWVIXBGEDNPBGC-OAHLLOKOSA-N 1 1 379.869 3.877 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439330920 853561816 /nfs/dbraw/zinc/56/18/16/853561816.db2.gz YMRUXVMOYUVXIL-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439330920 853561825 /nfs/dbraw/zinc/56/18/25/853561825.db2.gz YMRUXVMOYUVXIL-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)C/C(C)=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000426393873 853681298 /nfs/dbraw/zinc/68/12/98/853681298.db2.gz HPKPTGMOAGSGLV-WJDWOHSUSA-N 1 1 384.432 3.682 20 5 GHBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000571350825 853850354 /nfs/dbraw/zinc/85/03/54/853850354.db2.gz QHZFNXZQFKQCKY-KUHUBIRLSA-N 1 1 384.411 3.614 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282494062 862555050 /nfs/dbraw/zinc/55/50/50/862555050.db2.gz QBPKPDNGZYKTLW-CYBMUJFWSA-N 1 1 397.391 3.789 20 5 GHBDMO C[N@H+](CCO)Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1Cl ZINC000588823341 854507934 /nfs/dbraw/zinc/50/79/34/854507934.db2.gz JVMBRYIHWWOAFJ-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO C[N@@H+](CCO)Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1Cl ZINC000588823341 854507940 /nfs/dbraw/zinc/50/79/40/854507940.db2.gz JVMBRYIHWWOAFJ-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000589278715 854780453 /nfs/dbraw/zinc/78/04/53/854780453.db2.gz MHRIBCQPYAOQOZ-OAQYLSRUSA-N 1 1 392.415 3.615 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000589278715 854780463 /nfs/dbraw/zinc/78/04/63/854780463.db2.gz MHRIBCQPYAOQOZ-OAQYLSRUSA-N 1 1 392.415 3.615 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000589373578 854813540 /nfs/dbraw/zinc/81/35/40/854813540.db2.gz IQAWODYYVFYFAI-KRWDZBQOSA-N 1 1 382.464 3.801 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000589501414 854911417 /nfs/dbraw/zinc/91/14/17/854911417.db2.gz MSULUEKCIQZFCM-HNNXBMFYSA-N 1 1 388.445 3.680 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000589501414 854911423 /nfs/dbraw/zinc/91/14/23/854911423.db2.gz MSULUEKCIQZFCM-HNNXBMFYSA-N 1 1 388.445 3.680 20 5 GHBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000253354859 854941338 /nfs/dbraw/zinc/94/13/38/854941338.db2.gz MUJRIJVEBTZQBK-SFTDATJTSA-N 1 1 394.475 3.534 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248400215 855077135 /nfs/dbraw/zinc/07/71/35/855077135.db2.gz XFDORLGMKDUMFT-NQIIRXRSSA-N 1 1 381.476 3.679 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248400215 855077140 /nfs/dbraw/zinc/07/71/40/855077140.db2.gz XFDORLGMKDUMFT-NQIIRXRSSA-N 1 1 381.476 3.679 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000589743931 855120458 /nfs/dbraw/zinc/12/04/58/855120458.db2.gz LOZWIDYZFRYNGZ-RLLQIKCJSA-N 1 1 389.496 3.637 20 5 GHBDMO COc1ccc(C[NH+]2CC(C(F)F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590968694 855680426 /nfs/dbraw/zinc/68/04/26/855680426.db2.gz BFPZFQWLXHPXDQ-UHFFFAOYSA-N 1 1 378.375 3.879 20 5 GHBDMO CCc1ccc([C@H]([NH2+]C[C@H](CO)c2cccnc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000554075261 855786448 /nfs/dbraw/zinc/78/64/48/855786448.db2.gz VLIMSCXJIFSTQF-DYESRHJHSA-N 1 1 381.432 3.600 20 5 GHBDMO COc1ccc(-c2ccc(CN(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)o2)c([N+](=O)[O-])c1 ZINC000573287923 856011234 /nfs/dbraw/zinc/01/12/34/856011234.db2.gz BPPTYVBRDSBOER-XYPWUTKMSA-N 1 1 385.464 3.920 20 5 GHBDMO O=C1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1c1ccccc1 ZINC000172116108 856342437 /nfs/dbraw/zinc/34/24/37/856342437.db2.gz GKCGJTZLWWCJSD-OAHLLOKOSA-N 1 1 394.456 3.613 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3sccc3Br)C2)nc1 ZINC000172358928 856410228 /nfs/dbraw/zinc/41/02/28/856410228.db2.gz JYGZMAJESKLFLU-SNVBAGLBSA-N 1 1 383.271 3.500 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3sccc3Br)C2)nc1 ZINC000172358928 856410231 /nfs/dbraw/zinc/41/02/31/856410231.db2.gz JYGZMAJESKLFLU-SNVBAGLBSA-N 1 1 383.271 3.500 20 5 GHBDMO C[N@@H+](CCc1cccc(NCCC(=O)Nc2ccccc2[N+](=O)[O-])c1)C1CC1 ZINC000573795395 856478094 /nfs/dbraw/zinc/47/80/94/856478094.db2.gz GLZPZWDVHSYBBF-UHFFFAOYSA-N 1 1 382.464 3.672 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C)C1 ZINC000172761022 856589889 /nfs/dbraw/zinc/58/98/89/856589889.db2.gz XWICUVJSASRNAP-UKRRQHHQSA-N 1 1 387.427 3.745 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000507994414 856802196 /nfs/dbraw/zinc/80/21/96/856802196.db2.gz FKIVOMCJPVPKQF-INIZCTEOSA-N 1 1 398.463 3.548 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000507994414 856802202 /nfs/dbraw/zinc/80/22/02/856802202.db2.gz FKIVOMCJPVPKQF-INIZCTEOSA-N 1 1 398.463 3.548 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2C[C@@H](C)O)cc1OC ZINC000542918262 856810918 /nfs/dbraw/zinc/81/09/18/856810918.db2.gz WCRCBFUFFQTKER-UXLLHSPISA-N 1 1 380.485 3.764 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245405136 856825466 /nfs/dbraw/zinc/82/54/66/856825466.db2.gz RTOLIRSUXVXTST-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245405136 856825470 /nfs/dbraw/zinc/82/54/70/856825470.db2.gz RTOLIRSUXVXTST-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO CCC[N@@H+](CCc1cccc(F)c1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000733302189 862846890 /nfs/dbraw/zinc/84/68/90/862846890.db2.gz ZPBRLLSLWYLHOD-UHFFFAOYSA-N 1 1 383.427 3.905 20 5 GHBDMO CCC[N@@H+](CCc1cccc(F)c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000733301380 862846809 /nfs/dbraw/zinc/84/68/09/862846809.db2.gz PKINPVGWAXDGAD-UHFFFAOYSA-N 1 1 383.427 3.905 20 5 GHBDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000245481530 856892485 /nfs/dbraw/zinc/89/24/85/856892485.db2.gz CMVJPEWHDDYIFG-KYJSFNMBSA-N 1 1 385.468 3.653 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000173519104 856969308 /nfs/dbraw/zinc/96/93/08/856969308.db2.gz PLJBZADXULUYAS-ZDUSSCGKSA-N 1 1 387.402 3.856 20 5 GHBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245641191 857033553 /nfs/dbraw/zinc/03/35/53/857033553.db2.gz ALKYBNXGSSURQE-KBXCAEBGSA-N 1 1 391.830 3.810 20 5 GHBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245736820 857155165 /nfs/dbraw/zinc/15/51/65/857155165.db2.gz UXKNCQBPWWUPRP-KBXCAEBGSA-N 1 1 391.830 3.810 20 5 GHBDMO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)[NH+]2CCCC2)c1 ZINC000120977563 857163682 /nfs/dbraw/zinc/16/36/82/857163682.db2.gz ITOICPLRLPWJOG-KRWDZBQOSA-N 1 1 389.477 3.540 20 5 GHBDMO COc1cc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(F)cc1[N+](=O)[O-] ZINC000485990712 857322016 /nfs/dbraw/zinc/32/20/16/857322016.db2.gz BARVOFIYLCAEGB-KBXCAEBGSA-N 1 1 381.354 3.878 20 5 GHBDMO COc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(F)cc1[N+](=O)[O-] ZINC000485990712 857322022 /nfs/dbraw/zinc/32/20/22/857322022.db2.gz BARVOFIYLCAEGB-KBXCAEBGSA-N 1 1 381.354 3.878 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000543576827 862908807 /nfs/dbraw/zinc/90/88/07/862908807.db2.gz MALFILNNEVPNSU-IBGZPJMESA-N 1 1 375.469 3.513 20 5 GHBDMO Cc1ccc(C(=O)NCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000113326370 857430051 /nfs/dbraw/zinc/43/00/51/857430051.db2.gz NNUUSTONICGGLJ-UHFFFAOYSA-N 1 1 396.472 3.546 20 5 GHBDMO CC(C)([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000429255565 857430720 /nfs/dbraw/zinc/43/07/20/857430720.db2.gz HUXYIEWINMGMQH-UHFFFAOYSA-N 1 1 399.369 3.604 20 5 GHBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246748069 857449051 /nfs/dbraw/zinc/44/90/51/857449051.db2.gz NCBSIMWHWNQUFW-LIRRHRJNSA-N 1 1 387.411 3.525 20 5 GHBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246748069 857449055 /nfs/dbraw/zinc/44/90/55/857449055.db2.gz NCBSIMWHWNQUFW-LIRRHRJNSA-N 1 1 387.411 3.525 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c(Cl)c1 ZINC000301737883 857468633 /nfs/dbraw/zinc/46/86/33/857468633.db2.gz VYRIKIGEBCEZRH-HNAYVOBHSA-N 1 1 375.856 3.543 20 5 GHBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000907088985 857475972 /nfs/dbraw/zinc/47/59/72/857475972.db2.gz ZISMPNCFTXUISO-BEFAXECRSA-N 1 1 391.899 3.656 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+](Cc1cccs1)Cc1cccs1 ZINC000130948465 857552286 /nfs/dbraw/zinc/55/22/86/857552286.db2.gz YVHDXNVZTWMPFI-UHFFFAOYSA-N 1 1 375.475 3.582 20 5 GHBDMO COc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000058952306 857833483 /nfs/dbraw/zinc/83/34/83/857833483.db2.gz BXRTUROKDLTYFR-MRXNPFEDSA-N 1 1 397.475 3.765 20 5 GHBDMO COc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000058952501 857833615 /nfs/dbraw/zinc/83/36/15/857833615.db2.gz BYCWSWREZXCELG-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO Cc1[nH+]cn(CCCCc2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)c1C ZINC000594534805 858213773 /nfs/dbraw/zinc/21/37/73/858213773.db2.gz PQEDBGQREDMDKM-UHFFFAOYSA-N 1 1 380.408 3.962 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000594735708 858268831 /nfs/dbraw/zinc/26/88/31/858268831.db2.gz NIMLPKAEJWIELW-KRWDZBQOSA-N 1 1 386.521 3.930 20 5 GHBDMO CC(C)c1ncc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000443067668 858336298 /nfs/dbraw/zinc/33/62/98/858336298.db2.gz UISRLLMFWNNHIO-UHFFFAOYSA-N 1 1 380.452 3.541 20 5 GHBDMO CC(C)c1ncc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000443067668 858336307 /nfs/dbraw/zinc/33/63/07/858336307.db2.gz UISRLLMFWNNHIO-UHFFFAOYSA-N 1 1 380.452 3.541 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCc2ccccc21 ZINC000521830726 858347383 /nfs/dbraw/zinc/34/73/83/858347383.db2.gz ONGYVGPQCPEYBW-UHFFFAOYSA-N 1 1 391.427 3.924 20 5 GHBDMO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595017018 858352156 /nfs/dbraw/zinc/35/21/56/858352156.db2.gz YHXIKORAOLIZBE-CABCVRRESA-N 1 1 385.464 3.983 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000595022815 858354990 /nfs/dbraw/zinc/35/49/90/858354990.db2.gz OJSDSLRVKLDHFK-HOTGVXAUSA-N 1 1 384.480 3.875 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000595008540 858364282 /nfs/dbraw/zinc/36/42/82/858364282.db2.gz VBISRZHWKCICBQ-HNNXBMFYSA-N 1 1 383.448 3.577 20 5 GHBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000574896956 858388542 /nfs/dbraw/zinc/38/85/42/858388542.db2.gz RANFAVAPCJKWNS-UHFFFAOYSA-N 1 1 383.452 3.945 20 5 GHBDMO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000301877449 858455798 /nfs/dbraw/zinc/45/57/98/858455798.db2.gz HCTHYDPJITVKCU-NVXWUHKLSA-N 1 1 378.335 3.639 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000301877449 858455804 /nfs/dbraw/zinc/45/58/04/858455804.db2.gz HCTHYDPJITVKCU-NVXWUHKLSA-N 1 1 378.335 3.639 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595544162 858561566 /nfs/dbraw/zinc/56/15/66/858561566.db2.gz MUNGBVNLFPGDCA-APWZRJJASA-N 1 1 382.464 3.538 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CCOCCF)c1ccccc1 ZINC000596051855 858757719 /nfs/dbraw/zinc/75/77/19/858757719.db2.gz PRJSOJLOTNDPCQ-QGZVFWFLSA-N 1 1 395.818 3.504 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)nc2c1 ZINC000482697282 858773089 /nfs/dbraw/zinc/77/30/89/858773089.db2.gz VWPAAHXRBCRVQM-UHFFFAOYSA-N 1 1 376.420 3.727 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160318975 858810571 /nfs/dbraw/zinc/81/05/71/858810571.db2.gz TXVNTLHDGWTEPE-GFCCVEGCSA-N 1 1 388.390 3.809 20 5 GHBDMO COc1ccc([C@H](NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000429264764 858867062 /nfs/dbraw/zinc/86/70/62/858867062.db2.gz NOGBQNDTGCLULS-OAQYLSRUSA-N 1 1 399.491 3.942 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000282533488 858984055 /nfs/dbraw/zinc/98/40/55/858984055.db2.gz VGGWJYBZVHLDCV-UHFFFAOYSA-N 1 1 381.354 3.727 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000282533488 858984058 /nfs/dbraw/zinc/98/40/58/858984058.db2.gz VGGWJYBZVHLDCV-UHFFFAOYSA-N 1 1 381.354 3.727 20 5 GHBDMO CN1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)CC1 ZINC000301926401 859034847 /nfs/dbraw/zinc/03/48/47/859034847.db2.gz JMCVLZWEKVTVSE-UHFFFAOYSA-N 1 1 391.475 3.503 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000439322404 859054563 /nfs/dbraw/zinc/05/45/63/859054563.db2.gz VPKYSCMPTGPZGG-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000439322404 859054574 /nfs/dbraw/zinc/05/45/74/859054574.db2.gz VPKYSCMPTGPZGG-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001170334526 881377203 /nfs/dbraw/zinc/37/72/03/881377203.db2.gz GFFOCCBUHKUCEL-DLVCFXQMSA-N 1 1 398.459 3.771 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000601366321 859200628 /nfs/dbraw/zinc/20/06/28/859200628.db2.gz GRUIRCVENWOTCZ-RDJZCZTQSA-N 1 1 385.439 3.764 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](Oc3ncccc3C)C2)c([N+](=O)[O-])c1 ZINC001170354864 881395954 /nfs/dbraw/zinc/39/59/54/881395954.db2.gz QUCFMQASBLUVBM-QFBILLFUSA-N 1 1 385.464 3.781 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597231131 859365364 /nfs/dbraw/zinc/36/53/64/859365364.db2.gz NWYCYVTZZJCQEE-OALUTQOASA-N 1 1 398.459 3.651 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1F ZINC000764614189 859534337 /nfs/dbraw/zinc/53/43/37/859534337.db2.gz UDFBKLYDTXLBHY-RDJZCZTQSA-N 1 1 385.439 3.825 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)OCCO2 ZINC000611264822 859672737 /nfs/dbraw/zinc/67/27/37/859672737.db2.gz RSKMVUDQTITZSD-SFHVURJKSA-N 1 1 384.432 3.547 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)OCCO2 ZINC000611264822 859672738 /nfs/dbraw/zinc/67/27/38/859672738.db2.gz RSKMVUDQTITZSD-SFHVURJKSA-N 1 1 384.432 3.547 20 5 GHBDMO COCCOc1ccc([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1OC ZINC000611379891 859728909 /nfs/dbraw/zinc/72/89/09/859728909.db2.gz KDNYWKFVMVBYAO-CYBMUJFWSA-N 1 1 378.400 3.619 20 5 GHBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000611488053 859783212 /nfs/dbraw/zinc/78/32/12/859783212.db2.gz FFNOMEQGYJXNDG-INIZCTEOSA-N 1 1 382.464 3.718 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)c([N+](=O)[O-])c2)cc1 ZINC000611510240 859790874 /nfs/dbraw/zinc/79/08/74/859790874.db2.gz QMYBMVKOHNWESV-KKSFZXQISA-N 1 1 394.475 3.686 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000494288461 881469926 /nfs/dbraw/zinc/46/99/26/881469926.db2.gz SHJWONJZXMYHSG-IRVMHKCDSA-N 1 1 383.448 3.966 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000494288461 881469929 /nfs/dbraw/zinc/46/99/29/881469929.db2.gz SHJWONJZXMYHSG-IRVMHKCDSA-N 1 1 383.448 3.966 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000765470438 859983015 /nfs/dbraw/zinc/98/30/15/859983015.db2.gz KXFUSPOKWCUYAP-UHFFFAOYSA-N 1 1 397.903 3.983 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000252736617 860000586 /nfs/dbraw/zinc/00/05/86/860000586.db2.gz YTSUEIQSUKKPLC-MJGOQNOKSA-N 1 1 385.489 3.882 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154173553 860012003 /nfs/dbraw/zinc/01/20/03/860012003.db2.gz LWRMAJUXDHEHOM-NRFANRHFSA-N 1 1 395.503 3.898 20 5 GHBDMO C[N@@H+](Cc1ccc2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])sc2c1)C1CC1 ZINC000598027649 860023944 /nfs/dbraw/zinc/02/39/44/860023944.db2.gz LUEINWHMVLVLJR-UHFFFAOYSA-N 1 1 396.472 3.980 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3cccc(OC)c3[N+](=O)[O-])CC2)cs1 ZINC000185400646 860041089 /nfs/dbraw/zinc/04/10/89/860041089.db2.gz SCDHBJLJIHIXDJ-UHFFFAOYSA-N 1 1 390.509 3.946 20 5 GHBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000092659901 860100033 /nfs/dbraw/zinc/10/00/33/860100033.db2.gz UYFJDCHYJVZIKY-CYBMUJFWSA-N 1 1 391.855 3.986 20 5 GHBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092707701 860108858 /nfs/dbraw/zinc/10/88/58/860108858.db2.gz SHNGOGBFJIVVKL-MRXNPFEDSA-N 1 1 385.464 3.983 20 5 GHBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092706235 860109092 /nfs/dbraw/zinc/10/90/92/860109092.db2.gz PTPJXZWQHVPRGU-INIZCTEOSA-N 1 1 385.464 3.839 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000895943218 860144733 /nfs/dbraw/zinc/14/47/33/860144733.db2.gz WCQTVJKJIGJCLT-SECBINFHSA-N 1 1 378.231 3.501 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000602632449 860184534 /nfs/dbraw/zinc/18/45/34/860184534.db2.gz JDQBFDRUPQIBKQ-ZWNOBZJWSA-N 1 1 386.292 3.749 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000602632449 860184541 /nfs/dbraw/zinc/18/45/41/860184541.db2.gz JDQBFDRUPQIBKQ-ZWNOBZJWSA-N 1 1 386.292 3.749 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000555202247 860213774 /nfs/dbraw/zinc/21/37/74/860213774.db2.gz QUGYAWCNLBTDFH-UHFFFAOYSA-N 1 1 388.225 3.859 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000602705501 860220990 /nfs/dbraw/zinc/22/09/90/860220990.db2.gz GWKIDHNWWOTNHQ-UHFFFAOYSA-N 1 1 380.370 3.899 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC[C@@H]21 ZINC000154751956 860255462 /nfs/dbraw/zinc/25/54/62/860255462.db2.gz ZDSSRGOCOKFBRT-JXFKEZNVSA-N 1 1 395.459 3.943 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000154942351 860337359 /nfs/dbraw/zinc/33/73/59/860337359.db2.gz RSSRONMSWMVVJA-AEFFLSMTSA-N 1 1 382.464 3.807 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000154942351 860337369 /nfs/dbraw/zinc/33/73/69/860337369.db2.gz RSSRONMSWMVVJA-AEFFLSMTSA-N 1 1 382.464 3.807 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(c4ccc(F)cn4)CC3)o2)cc1 ZINC000602905471 860357163 /nfs/dbraw/zinc/35/71/63/860357163.db2.gz SNEXRACJENVUKL-UHFFFAOYSA-N 1 1 383.383 3.559 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598558069 860393962 /nfs/dbraw/zinc/39/39/62/860393962.db2.gz CCXNFRGERFMKCZ-INIZCTEOSA-N 1 1 391.537 3.949 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000484905360 860460724 /nfs/dbraw/zinc/46/07/24/860460724.db2.gz CBGQRTQSJHAQMR-FQEVSTJZSA-N 1 1 381.476 3.556 20 5 GHBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000301376176 860463392 /nfs/dbraw/zinc/46/33/92/860463392.db2.gz XQUGEDMMWSLCIT-UHFFFAOYSA-N 1 1 377.391 3.594 20 5 GHBDMO Cc1nn(C[NH+]2CCC(N(C)c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761293719 860673953 /nfs/dbraw/zinc/67/39/53/860673953.db2.gz QHGYYXWWLOAQDM-UHFFFAOYSA-N 1 1 379.464 3.811 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000054227974 860763864 /nfs/dbraw/zinc/76/38/64/860763864.db2.gz MDKUBBPKYDDEFT-YOEHRIQHSA-N 1 1 378.432 3.641 20 5 GHBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609193887 881615598 /nfs/dbraw/zinc/61/55/98/881615598.db2.gz WSNZWGIQWNJRCQ-DLBZAZTESA-N 1 1 391.512 3.899 20 5 GHBDMO CC[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@H+]1CCc2ccccc2C1 ZINC000603739657 861133110 /nfs/dbraw/zinc/13/31/10/861133110.db2.gz KDSAXRRKTCACGP-GOSISDBHSA-N 1 1 393.443 3.908 20 5 GHBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609193890 881617829 /nfs/dbraw/zinc/61/78/29/881617829.db2.gz WSNZWGIQWNJRCQ-SJORKVTESA-N 1 1 391.512 3.899 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4ccc5cccnc5n4)CC3)nc2c1 ZINC000594019981 863760186 /nfs/dbraw/zinc/76/01/86/863760186.db2.gz UDUQUBUVWYRGQY-UHFFFAOYSA-N 1 1 388.431 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCS(=O)(=O)C3CCCCC3)C2)cc1 ZINC000856746098 881711715 /nfs/dbraw/zinc/71/17/15/881711715.db2.gz PHTPTIXMBIUSFL-KRWDZBQOSA-N 1 1 380.510 3.522 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCS(=O)(=O)C3CCCCC3)C2)cc1 ZINC000856746098 881711724 /nfs/dbraw/zinc/71/17/24/881711724.db2.gz PHTPTIXMBIUSFL-KRWDZBQOSA-N 1 1 380.510 3.522 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000480055276 863948084 /nfs/dbraw/zinc/94/80/84/863948084.db2.gz GIEIDMUCSUZPKY-UHFFFAOYSA-N 1 1 376.501 3.557 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000172788307 863966999 /nfs/dbraw/zinc/96/69/99/863966999.db2.gz XVSMCORQMHIFGL-NSHDSACASA-N 1 1 390.362 3.690 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000043307388 864330949 /nfs/dbraw/zinc/33/09/49/864330949.db2.gz HQSVSLHKJWNXBF-GOSISDBHSA-N 1 1 390.871 3.693 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)o1 ZINC000184714055 864879351 /nfs/dbraw/zinc/87/93/51/864879351.db2.gz XUBYSKATVGUWPN-UHFFFAOYSA-N 1 1 378.432 3.568 20 5 GHBDMO COc1ccc(OCC[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000184864910 865002186 /nfs/dbraw/zinc/00/21/86/865002186.db2.gz CNRIWUSUSQYYCI-CQSZACIVSA-N 1 1 383.404 3.988 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(c4ccccc4F)CC3)n2)c1 ZINC000736282491 865162297 /nfs/dbraw/zinc/16/22/97/865162297.db2.gz SKAYADYNTWOGAJ-UHFFFAOYSA-N 1 1 381.411 3.830 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCS[C@H](c4ccccc4)C3)n2)cc1 ZINC000738243991 865517234 /nfs/dbraw/zinc/51/72/34/865517234.db2.gz DHDKEVLROAXBSS-SFHVURJKSA-N 1 1 381.461 3.601 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCS[C@H](c4ccccc4)C3)n2)cc1 ZINC000738243991 865517241 /nfs/dbraw/zinc/51/72/41/865517241.db2.gz DHDKEVLROAXBSS-SFHVURJKSA-N 1 1 381.461 3.601 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H](O)c1ccc(C)cc1 ZINC000174284160 865671302 /nfs/dbraw/zinc/67/13/02/865671302.db2.gz DAZPMOOCGUNMQE-GOSISDBHSA-N 1 1 382.420 3.509 20 5 GHBDMO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H](O)c1ccc(C)cc1 ZINC000174284160 865671307 /nfs/dbraw/zinc/67/13/07/865671307.db2.gz DAZPMOOCGUNMQE-GOSISDBHSA-N 1 1 382.420 3.509 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000552835297 866301409 /nfs/dbraw/zinc/30/14/09/866301409.db2.gz HYULYANPFLCPHE-AWEZNQCLSA-N 1 1 397.353 3.541 20 5 GHBDMO C[C@@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1Cc1ccccc1 ZINC000534248132 866368283 /nfs/dbraw/zinc/36/82/83/866368283.db2.gz ORKLYCFFDFBTKE-MRXNPFEDSA-N 1 1 392.459 3.813 20 5 GHBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000475575303 866383891 /nfs/dbraw/zinc/38/38/91/866383891.db2.gz ZYOGPDCEUURPEO-AWEZNQCLSA-N 1 1 390.411 3.869 20 5 GHBDMO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000552869618 866391809 /nfs/dbraw/zinc/39/18/09/866391809.db2.gz WEUVRJLHOANLQH-GOSISDBHSA-N 1 1 383.379 3.588 20 5 GHBDMO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc(C)c1OC(F)F ZINC000534336990 866611979 /nfs/dbraw/zinc/61/19/79/866611979.db2.gz UAFWNLSYQGNRFS-UHFFFAOYSA-N 1 1 392.406 3.530 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@]4(C3)OCc3ccccc34)o2)c1 ZINC000186705222 866779654 /nfs/dbraw/zinc/77/96/54/866779654.db2.gz GPNHXSMRPCQQLI-JOCHJYFZSA-N 1 1 391.427 3.924 20 5 GHBDMO C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440487631 866932326 /nfs/dbraw/zinc/93/23/26/866932326.db2.gz LKLHDTWJSDACEI-QWHCGFSZSA-N 1 1 391.269 4.000 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cc(Cl)ccc1F ZINC000444713956 867107181 /nfs/dbraw/zinc/10/71/81/867107181.db2.gz ICLABRINMRLHOK-UHFFFAOYSA-N 1 1 393.802 3.817 20 5 GHBDMO COc1cc(CNCC[N@@H+]2CCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000742386342 867252551 /nfs/dbraw/zinc/25/25/51/867252551.db2.gz AVCHKVUFISNGGP-KRWDZBQOSA-N 1 1 399.491 3.756 20 5 GHBDMO COc1cc(CNCC[N@H+]2CCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000742386342 867252567 /nfs/dbraw/zinc/25/25/67/867252567.db2.gz AVCHKVUFISNGGP-KRWDZBQOSA-N 1 1 399.491 3.756 20 5 GHBDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c2)C1 ZINC000857164956 882072633 /nfs/dbraw/zinc/07/26/33/882072633.db2.gz UZXHOIGZYKPJOP-SFHVURJKSA-N 1 1 379.460 3.603 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)OCc1ccccc1 ZINC000793298687 882076427 /nfs/dbraw/zinc/07/64/27/882076427.db2.gz NODVHIWBXYHTMW-LJQANCHMSA-N 1 1 383.448 3.733 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000523488137 867389347 /nfs/dbraw/zinc/38/93/47/867389347.db2.gz SEVQJYSRFYTGLG-MSOLQXFVSA-N 1 1 387.524 3.985 20 5 GHBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)c2)C[C@@H](C)O1 ZINC000121512385 867557866 /nfs/dbraw/zinc/55/78/66/867557866.db2.gz GKGWKUZQBSNUEQ-ZIAGYGMSSA-N 1 1 387.411 3.595 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000457098835 867690941 /nfs/dbraw/zinc/69/09/41/867690941.db2.gz UPJZXEFQAIZYIF-LJQANCHMSA-N 1 1 396.491 3.762 20 5 GHBDMO C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000523705099 867782286 /nfs/dbraw/zinc/78/22/86/867782286.db2.gz AIFIBUJVDMFFOG-OXJNMPFZSA-N 1 1 382.464 3.620 20 5 GHBDMO CCCCC[C@@H](C)NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743863123 868461938 /nfs/dbraw/zinc/46/19/38/868461938.db2.gz VLNKKXOPSYQJLP-MRXNPFEDSA-N 1 1 377.485 3.523 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000621109605 868723949 /nfs/dbraw/zinc/72/39/49/868723949.db2.gz ZRZBBYXYDXKFKJ-KRWDZBQOSA-N 1 1 389.499 3.533 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000535549673 868959588 /nfs/dbraw/zinc/95/95/88/868959588.db2.gz FORYLXFOGRHRTG-ZWKOTPCHSA-N 1 1 380.510 3.869 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475635912 869054196 /nfs/dbraw/zinc/05/41/96/869054196.db2.gz DNUSNNMASQLNBZ-SFHVURJKSA-N 1 1 382.464 3.950 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000475702022 882298007 /nfs/dbraw/zinc/29/80/07/882298007.db2.gz RHMMLYRYKHTHKY-HOCLYGCPSA-N 1 1 388.420 3.713 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000475702022 882298019 /nfs/dbraw/zinc/29/80/19/882298019.db2.gz RHMMLYRYKHTHKY-HOCLYGCPSA-N 1 1 388.420 3.713 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000446338950 869733052 /nfs/dbraw/zinc/73/30/52/869733052.db2.gz CJSUCHZXPTWUJQ-UHFFFAOYSA-N 1 1 381.782 3.561 20 5 GHBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000539824862 869832274 /nfs/dbraw/zinc/83/22/74/869832274.db2.gz MSVQUSAMKNCYMW-HXUWFJFHSA-N 1 1 388.395 3.911 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@H]2CCO)cc1 ZINC000428448674 870015881 /nfs/dbraw/zinc/01/58/81/870015881.db2.gz RCHHHKBFTAIKAF-IBGZPJMESA-N 1 1 392.459 3.794 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1)CC(C)C ZINC000462780344 870056085 /nfs/dbraw/zinc/05/60/85/870056085.db2.gz UNKZOFMKUKVAID-UHFFFAOYSA-N 1 1 390.528 3.857 20 5 GHBDMO CCc1cc(N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462858426 870232313 /nfs/dbraw/zinc/23/23/13/870232313.db2.gz YNZODEHQRCQYRG-DNVCBOLYSA-N 1 1 383.496 3.781 20 5 GHBDMO Cc1cc(Br)ccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446828639 870491334 /nfs/dbraw/zinc/49/13/34/870491334.db2.gz XIOBGKFHQIWQJV-UHFFFAOYSA-N 1 1 375.226 3.832 20 5 GHBDMO Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1Br ZINC000446838014 870525124 /nfs/dbraw/zinc/52/51/24/870525124.db2.gz CZUXTBHWAOUBTH-UHFFFAOYSA-N 1 1 375.226 3.832 20 5 GHBDMO Cn1cc(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538726554 870526123 /nfs/dbraw/zinc/52/61/23/870526123.db2.gz CTZYHLGSUDXJJP-OAQYLSRUSA-N 1 1 376.460 3.985 20 5 GHBDMO CN(C(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746397462 870606647 /nfs/dbraw/zinc/60/66/47/870606647.db2.gz LYHZLWDQGYWESP-LJQANCHMSA-N 1 1 384.505 3.888 20 5 GHBDMO O=[N+]([O-])c1ccnc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)c1 ZINC001212580280 870616797 /nfs/dbraw/zinc/61/67/97/870616797.db2.gz BOHVZWKENGSPBX-QGZVFWFLSA-N 1 1 392.350 3.578 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000538797983 870628694 /nfs/dbraw/zinc/62/86/94/870628694.db2.gz HSCYVJZMZZIYNX-IIBYNOLFSA-N 1 1 392.459 3.650 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765310 870844115 /nfs/dbraw/zinc/84/41/15/870844115.db2.gz PWSJLVRIJXIDDJ-LAUBAEHRSA-N 1 1 383.492 3.971 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC([N@@H+](C2CCC2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169057826 871144791 /nfs/dbraw/zinc/14/47/91/871144791.db2.gz XTRPMVOJQNODPG-MAUKXSAKSA-N 1 1 381.517 3.686 20 5 GHBDMO COc1ccc(CC[N@@H+](CC(C)C)Cn2nc(C)c([N+](=O)[O-])c2C)cc1OC ZINC000115513119 882502472 /nfs/dbraw/zinc/50/24/72/882502472.db2.gz MAIZNGMUYMNPCA-UHFFFAOYSA-N 1 1 390.484 3.584 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])cc3Cl)cc2)C[C@H](C)O1 ZINC000301259054 871523664 /nfs/dbraw/zinc/52/36/64/871523664.db2.gz FKOIARYRYNAUMH-OKILXGFUSA-N 1 1 390.871 3.865 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CC1 ZINC000441269580 871615200 /nfs/dbraw/zinc/61/52/00/871615200.db2.gz SORNCYLFLPWQHK-KRWDZBQOSA-N 1 1 376.840 3.653 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CC1 ZINC000441269580 871615213 /nfs/dbraw/zinc/61/52/13/871615213.db2.gz SORNCYLFLPWQHK-KRWDZBQOSA-N 1 1 376.840 3.653 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169517760 871624421 /nfs/dbraw/zinc/62/44/21/871624421.db2.gz KQVDPFKOSHUTQL-PKOBYXMFSA-N 1 1 383.448 3.774 20 5 GHBDMO CC[N@H+](C[C@H](C)OC)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000463424420 871704517 /nfs/dbraw/zinc/70/45/17/871704517.db2.gz OZKNNDSNFVFJPT-OXJNMPFZSA-N 1 1 385.464 3.940 20 5 GHBDMO CC[N@@H+](C[C@H](C)OC)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000463424420 871704528 /nfs/dbraw/zinc/70/45/28/871704528.db2.gz OZKNNDSNFVFJPT-OXJNMPFZSA-N 1 1 385.464 3.940 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000462156641 871708059 /nfs/dbraw/zinc/70/80/59/871708059.db2.gz DHUSXKYDNKLTBD-JXFKEZNVSA-N 1 1 381.476 3.509 20 5 GHBDMO CCC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000539327904 871746606 /nfs/dbraw/zinc/74/66/06/871746606.db2.gz JSZFBUHDSREVSE-SFHVURJKSA-N 1 1 377.391 3.967 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000463443562 871753310 /nfs/dbraw/zinc/75/33/10/871753310.db2.gz OQHXASOLKXQNCT-JOCHJYFZSA-N 1 1 384.476 3.811 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000462181614 871780529 /nfs/dbraw/zinc/78/05/29/871780529.db2.gz KWTPGSGNTIXSJB-KBXCAEBGSA-N 1 1 379.416 3.591 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1OC ZINC000463453809 871785211 /nfs/dbraw/zinc/78/52/11/871785211.db2.gz LOTQQYNXLXQOST-DOTOQJQBSA-N 1 1 388.468 3.672 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1OC ZINC000463453809 871785231 /nfs/dbraw/zinc/78/52/31/871785231.db2.gz LOTQQYNXLXQOST-DOTOQJQBSA-N 1 1 388.468 3.672 20 5 GHBDMO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169772105 871860640 /nfs/dbraw/zinc/86/06/40/871860640.db2.gz SBQRDQPHBJHITM-QGZVFWFLSA-N 1 1 399.285 3.769 20 5 GHBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169772105 871860645 /nfs/dbraw/zinc/86/06/45/871860645.db2.gz SBQRDQPHBJHITM-QGZVFWFLSA-N 1 1 399.285 3.769 20 5 GHBDMO CCO[C@H](CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000552045607 871928290 /nfs/dbraw/zinc/92/82/90/871928290.db2.gz KSAXJMLZODWYGB-UXHICEINSA-N 1 1 386.496 3.993 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000182173276 871984705 /nfs/dbraw/zinc/98/47/05/871984705.db2.gz WXILWDSHYAHEGY-OAHLLOKOSA-N 1 1 388.445 3.691 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000182173276 871984717 /nfs/dbraw/zinc/98/47/17/871984717.db2.gz WXILWDSHYAHEGY-OAHLLOKOSA-N 1 1 388.445 3.691 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448029981 872754279 /nfs/dbraw/zinc/75/42/79/872754279.db2.gz RIOHRBYTICOUDA-MGPUTAFESA-N 1 1 382.464 3.825 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000619669537 872856055 /nfs/dbraw/zinc/85/60/55/872856055.db2.gz BEJQJXMAVPTSDJ-INIZCTEOSA-N 1 1 397.500 3.960 20 5 GHBDMO COc1ccc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000541098094 872922831 /nfs/dbraw/zinc/92/28/31/872922831.db2.gz GLGZUHNXOPEWGK-UHFFFAOYSA-N 1 1 386.452 3.636 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448253748 873098334 /nfs/dbraw/zinc/09/83/34/873098334.db2.gz BVTHHRHDMJFNCN-SFHVURJKSA-N 1 1 376.501 3.635 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccccc1C ZINC000122413821 873185119 /nfs/dbraw/zinc/18/51/19/873185119.db2.gz IQPICHHLMRTSTI-UHFFFAOYSA-N 1 1 398.463 3.583 20 5 GHBDMO CC1(c2cccc(Br)c2)CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000768460227 873325550 /nfs/dbraw/zinc/32/55/50/873325550.db2.gz UCZXEGAKPYEKEX-UHFFFAOYSA-N 1 1 379.258 3.565 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000541322675 873368372 /nfs/dbraw/zinc/36/83/72/873368372.db2.gz OZZWGVXVQAQBMC-AUUYWEPGSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000541322675 873368388 /nfs/dbraw/zinc/36/83/88/873368388.db2.gz OZZWGVXVQAQBMC-AUUYWEPGSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858014927 882722618 /nfs/dbraw/zinc/72/26/18/882722618.db2.gz UFOJMVKEGHPXBJ-LJQANCHMSA-N 1 1 383.448 3.919 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858014927 882722635 /nfs/dbraw/zinc/72/26/35/882722635.db2.gz UFOJMVKEGHPXBJ-LJQANCHMSA-N 1 1 383.448 3.919 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000541391537 873501976 /nfs/dbraw/zinc/50/19/76/873501976.db2.gz YPKPAXGAEQVSGH-RDJZCZTQSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000541391537 873501989 /nfs/dbraw/zinc/50/19/89/873501989.db2.gz YPKPAXGAEQVSGH-RDJZCZTQSA-N 1 1 383.448 3.728 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000768916128 873685141 /nfs/dbraw/zinc/68/51/41/873685141.db2.gz SZWLRUAKVTVWLJ-QGZVFWFLSA-N 1 1 377.485 3.982 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000448649267 873723557 /nfs/dbraw/zinc/72/35/57/873723557.db2.gz ONNPKTJZXONFPR-UHFFFAOYSA-N 1 1 387.402 3.998 20 5 GHBDMO CC(=O)NC[C@H]1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CCO1 ZINC000769445990 874075234 /nfs/dbraw/zinc/07/52/34/874075234.db2.gz JPDUGVDHYUKAEA-INIZCTEOSA-N 1 1 382.891 3.983 20 5 GHBDMO CC(=O)NC[C@H]1C[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CCO1 ZINC000769445990 874075249 /nfs/dbraw/zinc/07/52/49/874075249.db2.gz JPDUGVDHYUKAEA-INIZCTEOSA-N 1 1 382.891 3.983 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)sc2nc(C)nc(C)c12 ZINC000769463219 874087419 /nfs/dbraw/zinc/08/74/19/874087419.db2.gz OMIHNVFNOXHDRT-CQSZACIVSA-N 1 1 398.492 3.606 20 5 GHBDMO O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000921275006 882796692 /nfs/dbraw/zinc/79/66/92/882796692.db2.gz ZMUNFBMOPYWQKO-LJQANCHMSA-N 1 1 384.505 3.936 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](c3c(F)cccc3F)C1)OCCO2 ZINC000769558686 874158977 /nfs/dbraw/zinc/15/89/77/874158977.db2.gz HCEDPLZWOOPRFM-LBPRGKRZSA-N 1 1 376.359 3.634 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](c3c(F)cccc3F)C1)OCCO2 ZINC000769558686 874158984 /nfs/dbraw/zinc/15/89/84/874158984.db2.gz HCEDPLZWOOPRFM-LBPRGKRZSA-N 1 1 376.359 3.634 20 5 GHBDMO CN(C)c1ccc(NC(=O)CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000769662200 874218997 /nfs/dbraw/zinc/21/89/97/874218997.db2.gz LPOQRYNMYAOQIT-UHFFFAOYSA-N 1 1 390.871 3.775 20 5 GHBDMO CN(C)c1ccc(NC(=O)CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000769662200 874219013 /nfs/dbraw/zinc/21/90/13/874219013.db2.gz LPOQRYNMYAOQIT-UHFFFAOYSA-N 1 1 390.871 3.775 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCC[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001198183840 874249161 /nfs/dbraw/zinc/24/91/61/874249161.db2.gz JQARODWZUJGENV-OXJNMPFZSA-N 1 1 375.469 3.864 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCC[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001198183840 874249169 /nfs/dbraw/zinc/24/91/69/874249169.db2.gz JQARODWZUJGENV-OXJNMPFZSA-N 1 1 375.469 3.864 20 5 GHBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCN(c2ccccn2)CC1 ZINC000464805852 874559660 /nfs/dbraw/zinc/55/96/60/874559660.db2.gz NRAUJCBAGVLUCC-UHFFFAOYSA-N 1 1 384.480 3.607 20 5 GHBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001198695761 874560238 /nfs/dbraw/zinc/56/02/38/874560238.db2.gz QUHROTVDOPSGRE-UHFFFAOYSA-N 1 1 381.448 3.955 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](COC)C2)cc1OC ZINC000541987160 874678126 /nfs/dbraw/zinc/67/81/26/874678126.db2.gz LXRBLPSWAMBEBD-CVEARBPZSA-N 1 1 380.485 3.887 20 5 GHBDMO C[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000464902244 874713785 /nfs/dbraw/zinc/71/37/85/874713785.db2.gz QZYRHAHLHGTYCZ-INIZCTEOSA-N 1 1 392.459 3.813 20 5 GHBDMO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000542183895 875104854 /nfs/dbraw/zinc/10/48/54/875104854.db2.gz FWPWSWZYZGSPMB-HNNXBMFYSA-N 1 1 378.432 3.778 20 5 GHBDMO C[C@H]1COc2ccccc2C[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000542183895 875104856 /nfs/dbraw/zinc/10/48/56/875104856.db2.gz FWPWSWZYZGSPMB-HNNXBMFYSA-N 1 1 378.432 3.778 20 5 GHBDMO C[C@H](CCNC(=O)CSc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000542189824 875116704 /nfs/dbraw/zinc/11/67/04/875116704.db2.gz CFBWAQJOHXICFZ-MRXNPFEDSA-N 1 1 387.505 3.714 20 5 GHBDMO Cc1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000465197296 875307280 /nfs/dbraw/zinc/30/72/80/875307280.db2.gz XXPUQLJYUCXMTP-OAHLLOKOSA-N 1 1 383.448 3.876 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000449755103 875352788 /nfs/dbraw/zinc/35/27/88/875352788.db2.gz MEZZOQGPEBEGAN-RZDIXWSQSA-N 1 1 384.432 3.848 20 5 GHBDMO O=C1CC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@H]2N1C1CC1 ZINC000549915254 875893886 /nfs/dbraw/zinc/89/38/86/875893886.db2.gz CPHPUNLOLYHXSQ-SJKOYZFVSA-N 1 1 397.397 3.589 20 5 GHBDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@H]2N1C1CC1 ZINC000549915254 875893896 /nfs/dbraw/zinc/89/38/96/875893896.db2.gz CPHPUNLOLYHXSQ-SJKOYZFVSA-N 1 1 397.397 3.589 20 5 GHBDMO Cc1cc[nH+]c(N2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2)c1 ZINC000450390820 876366729 /nfs/dbraw/zinc/36/67/29/876366729.db2.gz MHEOFLRTBWGVPH-UHFFFAOYSA-N 1 1 381.461 3.748 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000492256343 876541460 /nfs/dbraw/zinc/54/14/60/876541460.db2.gz GRMHFNBALRSHIR-MRXNPFEDSA-N 1 1 383.217 3.628 20 5 GHBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000122577791 876705355 /nfs/dbraw/zinc/70/53/55/876705355.db2.gz QDQFXLIYSZZQGG-INIZCTEOSA-N 1 1 377.828 3.561 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000477203452 877211521 /nfs/dbraw/zinc/21/15/21/877211521.db2.gz HANCOMXBYPMOEE-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[N@H+](C)C[C@H]3C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000609965551 877225362 /nfs/dbraw/zinc/22/53/62/877225362.db2.gz JWZDDKOPKARJOX-NRFANRHFSA-N 1 1 396.491 3.932 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746662559 877249409 /nfs/dbraw/zinc/24/94/09/877249409.db2.gz DZPWKIIVAXBDCM-ZDUSSCGKSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746662559 877249430 /nfs/dbraw/zinc/24/94/30/877249430.db2.gz DZPWKIIVAXBDCM-ZDUSSCGKSA-N 1 1 383.876 3.985 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610064832 877349610 /nfs/dbraw/zinc/34/96/10/877349610.db2.gz FWKLBXSOFVJCHD-INIZCTEOSA-N 1 1 375.513 3.889 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)ccc1[N+](=O)[O-] ZINC000492730415 877436770 /nfs/dbraw/zinc/43/67/70/877436770.db2.gz UTYYMOBCJGMRKQ-CQSZACIVSA-N 1 1 397.353 3.671 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)ccc1[N+](=O)[O-] ZINC000492730415 877436776 /nfs/dbraw/zinc/43/67/76/877436776.db2.gz UTYYMOBCJGMRKQ-CQSZACIVSA-N 1 1 397.353 3.671 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2CCn3c(Cl)ccc3[C@H]2C)cccc1[N+](=O)[O-] ZINC000787652536 877532771 /nfs/dbraw/zinc/53/27/71/877532771.db2.gz NGEKMIUDSDUOIO-CYBMUJFWSA-N 1 1 376.844 3.764 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCn3c(Cl)ccc3[C@H]2C)cccc1[N+](=O)[O-] ZINC000787652536 877532784 /nfs/dbraw/zinc/53/27/84/877532784.db2.gz NGEKMIUDSDUOIO-CYBMUJFWSA-N 1 1 376.844 3.764 20 5 GHBDMO COc1cc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000492785764 877540743 /nfs/dbraw/zinc/54/07/43/877540743.db2.gz VIPQKFRXYRCNMD-UHFFFAOYSA-N 1 1 385.247 3.905 20 5 GHBDMO COc1cc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000492785764 877540759 /nfs/dbraw/zinc/54/07/59/877540759.db2.gz VIPQKFRXYRCNMD-UHFFFAOYSA-N 1 1 385.247 3.905 20 5 GHBDMO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000179627509 877759930 /nfs/dbraw/zinc/75/99/30/877759930.db2.gz SXTCGIFSJYBARL-QGZVFWFLSA-N 1 1 375.375 3.503 20 5 GHBDMO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc(F)ccc1F ZINC000179778567 878003919 /nfs/dbraw/zinc/00/39/19/878003919.db2.gz HBPUCDGVQRIIAG-KRWDZBQOSA-N 1 1 375.375 3.503 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)c1cccc(Br)c1 ZINC000852171348 878116622 /nfs/dbraw/zinc/11/66/22/878116622.db2.gz DHPGOAKJEDWBQO-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)c1cccc(Br)c1 ZINC000852171348 878116632 /nfs/dbraw/zinc/11/66/32/878116632.db2.gz DHPGOAKJEDWBQO-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000852319142 878236058 /nfs/dbraw/zinc/23/60/58/878236058.db2.gz ZBOHLGUOIQOQHX-WOJBJXKFSA-N 1 1 398.459 3.569 20 5 GHBDMO C[C@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788704254 878266577 /nfs/dbraw/zinc/26/65/77/878266577.db2.gz NVDWSZFTLAUJFH-XHSDSOJGSA-N 1 1 384.480 3.959 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 ZINC000776591604 878298693 /nfs/dbraw/zinc/29/86/93/878298693.db2.gz KZUHRXFQAIBJDH-LEWJYISDSA-N 1 1 398.484 3.926 20 5 GHBDMO CN(C(=O)C[NH2+]C1(c2ccc(F)cc2F)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000179989457 878304049 /nfs/dbraw/zinc/30/40/49/878304049.db2.gz HEXOPUSONICIEI-UHFFFAOYSA-N 1 1 375.375 3.505 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179987723 878304640 /nfs/dbraw/zinc/30/46/40/878304640.db2.gz OOPQKQPUKHBYMD-UHFFFAOYSA-N 1 1 375.375 3.789 20 5 GHBDMO CNc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1[N+](=O)[O-] ZINC000530778878 878477167 /nfs/dbraw/zinc/47/71/67/878477167.db2.gz PRIWLWRTOHLWEP-CYBMUJFWSA-N 1 1 379.420 3.622 20 5 GHBDMO Cc1cc(Br)cc2c1C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776606166 878478593 /nfs/dbraw/zinc/47/85/93/878478593.db2.gz SMJDLXGDAOGRRQ-GOSISDBHSA-N 1 1 391.265 3.757 20 5 GHBDMO Cc1cc(Br)cc2c1C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776606166 878478597 /nfs/dbraw/zinc/47/85/97/878478597.db2.gz SMJDLXGDAOGRRQ-GOSISDBHSA-N 1 1 391.265 3.757 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000533940386 878559781 /nfs/dbraw/zinc/55/97/81/878559781.db2.gz MBIHYDIRUZQBCO-OAHLLOKOSA-N 1 1 386.496 3.635 20 5 GHBDMO COc1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093640674 912368854 /nfs/dbraw/zinc/36/88/54/912368854.db2.gz NHJWWBLQFXTVTC-UHFFFAOYSA-N 1 1 398.459 3.937 20 5 GHBDMO COc1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093640674 912368880 /nfs/dbraw/zinc/36/88/80/912368880.db2.gz NHJWWBLQFXTVTC-UHFFFAOYSA-N 1 1 398.459 3.937 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000180224517 878671087 /nfs/dbraw/zinc/67/10/87/878671087.db2.gz JQJMUEHIPIOXIK-UHFFFAOYSA-N 1 1 385.464 3.505 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597212305 878743089 /nfs/dbraw/zinc/74/30/89/878743089.db2.gz TZCJVKWJEOMLNB-GCJKJVERSA-N 1 1 398.459 3.651 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000452035487 878860965 /nfs/dbraw/zinc/86/09/65/878860965.db2.gz GOXDWYLXURZETH-UHFFFAOYSA-N 1 1 389.418 3.841 20 5 GHBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000538142919 878887540 /nfs/dbraw/zinc/88/75/40/878887540.db2.gz DPEVJAWFUZFDET-RYUDHWBXSA-N 1 1 379.363 3.874 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001170106268 878945788 /nfs/dbraw/zinc/94/57/88/878945788.db2.gz WCYRAZYNIJBBLV-UHFFFAOYSA-N 1 1 391.468 3.579 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001170106268 878945800 /nfs/dbraw/zinc/94/58/00/878945800.db2.gz WCYRAZYNIJBBLV-UHFFFAOYSA-N 1 1 391.468 3.579 20 5 GHBDMO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000853604275 879160612 /nfs/dbraw/zinc/16/06/12/879160612.db2.gz ANZNZHHEKJNWOF-VGPLMAKISA-N 1 1 394.269 3.534 20 5 GHBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000853604275 879160616 /nfs/dbraw/zinc/16/06/16/879160616.db2.gz ANZNZHHEKJNWOF-VGPLMAKISA-N 1 1 394.269 3.534 20 5 GHBDMO COc1cccc(C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCO2)c1 ZINC000520059439 879382227 /nfs/dbraw/zinc/38/22/27/879382227.db2.gz XMQORVJWFKDOCB-OAQYLSRUSA-N 1 1 386.448 3.663 20 5 GHBDMO CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000531302126 879548474 /nfs/dbraw/zinc/54/84/74/879548474.db2.gz PVTLVJWSMPKCQZ-GOSISDBHSA-N 1 1 392.459 3.813 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790545034 879836532 /nfs/dbraw/zinc/83/65/32/879836532.db2.gz BYSSGQVCGDRQSU-GUTXKFCHSA-N 1 1 397.878 3.794 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000854513330 879871891 /nfs/dbraw/zinc/87/18/91/879871891.db2.gz NAVIOSSSVBFRSK-WIYYLYMNSA-N 1 1 390.443 3.833 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000494068251 879890166 /nfs/dbraw/zinc/89/01/66/879890166.db2.gz GAKIFHPOTNRHRS-HKUYNNGSSA-N 1 1 381.476 3.913 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031766546 879981798 /nfs/dbraw/zinc/98/17/98/879981798.db2.gz HEXZEHDDVRBQIO-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCCN(c4ccccc4)CC3)c2c(Cl)c1 ZINC000774636686 912568912 /nfs/dbraw/zinc/56/89/12/912568912.db2.gz WLVLFLVNUKQVJZ-UHFFFAOYSA-N 1 1 385.855 3.768 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCCN(c4ccccc4)CC3)c2c(Cl)c1 ZINC000774636686 912568922 /nfs/dbraw/zinc/56/89/22/912568922.db2.gz WLVLFLVNUKQVJZ-UHFFFAOYSA-N 1 1 385.855 3.768 20 5 GHBDMO Cc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc([N+](=O)[O-])c1 ZINC000453279439 880720178 /nfs/dbraw/zinc/72/01/78/880720178.db2.gz AVKKKNGHWWDIOH-GOSISDBHSA-N 1 1 380.404 3.527 20 5 GHBDMO Cc1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc([N+](=O)[O-])c1 ZINC000453279439 880720190 /nfs/dbraw/zinc/72/01/90/880720190.db2.gz AVKKKNGHWWDIOH-GOSISDBHSA-N 1 1 380.404 3.527 20 5 GHBDMO C/C(=C\C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000791828954 880737832 /nfs/dbraw/zinc/73/78/32/880737832.db2.gz SBINGJMFXXPKFE-XEYRCQSKSA-N 1 1 379.460 3.636 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453429180 880933290 /nfs/dbraw/zinc/93/32/90/880933290.db2.gz PNUQBEVJYWATDQ-SUMDDJOVSA-N 1 1 398.488 3.989 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000113987107 881025474 /nfs/dbraw/zinc/02/54/74/881025474.db2.gz KIVZNYDZZTXDIB-CABCVRRESA-N 1 1 379.888 3.975 20 5 GHBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000919965554 881297142 /nfs/dbraw/zinc/29/71/42/881297142.db2.gz KNWXGTQVMCXCPV-LJQANCHMSA-N 1 1 387.867 3.871 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000609383614 883129739 /nfs/dbraw/zinc/12/97/39/883129739.db2.gz WWVUQSWGBIXQKZ-GOSISDBHSA-N 1 1 380.448 3.553 20 5 GHBDMO COc1ccc2c(c1)CCCN2C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350108 883163976 /nfs/dbraw/zinc/16/39/76/883163976.db2.gz NBUNRVTURYKZQU-UHFFFAOYSA-N 1 1 397.475 3.793 20 5 GHBDMO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350108 883163987 /nfs/dbraw/zinc/16/39/87/883163987.db2.gz NBUNRVTURYKZQU-UHFFFAOYSA-N 1 1 397.475 3.793 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000609530067 883319261 /nfs/dbraw/zinc/31/92/61/883319261.db2.gz MWHLKSXJESUMJD-QGZVFWFLSA-N 1 1 390.528 3.804 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000747215307 883374047 /nfs/dbraw/zinc/37/40/47/883374047.db2.gz RDEXOJXKBGJZGV-UHFFFAOYSA-N 1 1 383.492 3.886 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000609613917 883455738 /nfs/dbraw/zinc/45/57/38/883455738.db2.gz YGRVIQRVKKSDDS-DLBZAZTESA-N 1 1 399.495 3.731 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609853554 883732456 /nfs/dbraw/zinc/73/24/56/883732456.db2.gz ZEENVRYIUCVUAE-MRXNPFEDSA-N 1 1 377.828 3.798 20 5 GHBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001130368818 884095732 /nfs/dbraw/zinc/09/57/32/884095732.db2.gz AVHCUBVGXNYIOA-OAGGEKHMSA-N 1 1 382.464 3.892 20 5 GHBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@@H]2CCC[C@H]21 ZINC000859953130 884200055 /nfs/dbraw/zinc/20/00/55/884200055.db2.gz KCNFQZQSCPJYAX-BFHYXJOUSA-N 1 1 397.269 3.521 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@@H]2CCC[C@H]21 ZINC000859953130 884200068 /nfs/dbraw/zinc/20/00/68/884200068.db2.gz KCNFQZQSCPJYAX-BFHYXJOUSA-N 1 1 397.269 3.521 20 5 GHBDMO CC[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000914703923 884556766 /nfs/dbraw/zinc/55/67/66/884556766.db2.gz KJMDIGXYCXKCGK-GOSISDBHSA-N 1 1 384.505 3.718 20 5 GHBDMO Cc1c(COC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000919267770 885192610 /nfs/dbraw/zinc/19/26/10/885192610.db2.gz MKWIPINVTRMAQD-HOTGVXAUSA-N 1 1 398.459 3.869 20 5 GHBDMO CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000762207727 885697261 /nfs/dbraw/zinc/69/72/61/885697261.db2.gz RWPBDCVJCWFZNX-INIZCTEOSA-N 1 1 388.855 3.986 20 5 GHBDMO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC001131245983 886258460 /nfs/dbraw/zinc/25/84/60/886258460.db2.gz ARUBUJTZKBNBSZ-OAQYLSRUSA-N 1 1 381.476 3.886 20 5 GHBDMO C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272304326 887072167 /nfs/dbraw/zinc/07/21/67/887072167.db2.gz JMMQIXSDPLGSQL-IEBWSBKVSA-N 1 1 396.491 3.647 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000495891701 887239299 /nfs/dbraw/zinc/23/92/99/887239299.db2.gz CDLYRZWFNKSCTD-INIZCTEOSA-N 1 1 379.526 3.947 20 5 GHBDMO C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272373141 887340339 /nfs/dbraw/zinc/34/03/39/887340339.db2.gz CBPTXQQHBIKFDM-DZGCQCFKSA-N 1 1 389.402 3.513 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCOCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272586870 887931336 /nfs/dbraw/zinc/93/13/36/887931336.db2.gz ZHWSACWEJZVTSI-NRFANRHFSA-N 1 1 394.475 3.657 20 5 GHBDMO Cc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc(N2CCCC2)[nH+]1 ZINC000810234289 888311932 /nfs/dbraw/zinc/31/19/32/888311932.db2.gz BROFGIKVXCROBN-UHFFFAOYSA-N 1 1 389.843 3.874 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000763303210 888485515 /nfs/dbraw/zinc/48/55/15/888485515.db2.gz XKQSDQQUCVRNSD-DLBZAZTESA-N 1 1 392.431 3.605 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000763303210 888485521 /nfs/dbraw/zinc/48/55/21/888485521.db2.gz XKQSDQQUCVRNSD-DLBZAZTESA-N 1 1 392.431 3.605 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001132308219 888584693 /nfs/dbraw/zinc/58/46/93/888584693.db2.gz ZSYVMNJIINYTAG-DOTOQJQBSA-N 1 1 399.516 3.815 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153879941 888797847 /nfs/dbraw/zinc/79/78/47/888797847.db2.gz FXUAKOBNCLGXRT-OAQYLSRUSA-N 1 1 381.432 3.848 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000796113866 913289570 /nfs/dbraw/zinc/28/95/70/913289570.db2.gz PIJQCMCCUGVKAU-UHFFFAOYSA-N 1 1 394.225 3.940 20 5 GHBDMO Cc1cc(=O)oc2cc(OCC[N@H+](C)CCc3ccccc3[N+](=O)[O-])ccc12 ZINC000796115390 913293115 /nfs/dbraw/zinc/29/31/15/913293115.db2.gz ZWWXFEYLMNZPBH-UHFFFAOYSA-N 1 1 382.416 3.563 20 5 GHBDMO C[C@]([NH3+])(C(=O)Nc1cccc(CCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000867952271 889234867 /nfs/dbraw/zinc/23/48/67/889234867.db2.gz WICRHCROPVCOMH-QGZVFWFLSA-N 1 1 381.354 3.902 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000533292319 890207122 /nfs/dbraw/zinc/20/71/22/890207122.db2.gz DULXGNSHELGIBC-FSPWUOQZSA-N 1 1 395.887 3.712 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533343594 890301335 /nfs/dbraw/zinc/30/13/35/890301335.db2.gz IHWAJVHQBVEHLP-CQSZACIVSA-N 1 1 391.431 3.587 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533343594 890301348 /nfs/dbraw/zinc/30/13/48/890301348.db2.gz IHWAJVHQBVEHLP-CQSZACIVSA-N 1 1 391.431 3.587 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000917061808 890885171 /nfs/dbraw/zinc/88/51/71/890885171.db2.gz IGMUIZCFIGNDND-UHFFFAOYSA-N 1 1 394.475 3.500 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852514 891044914 /nfs/dbraw/zinc/04/49/14/891044914.db2.gz ZFRMBXCJFLZKHF-XOBRGWDASA-N 1 1 389.427 3.507 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000872051589 891131789 /nfs/dbraw/zinc/13/17/89/891131789.db2.gz LOJMVXCKWNAZTH-AWEZNQCLSA-N 1 1 390.509 3.503 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cc2)c1C ZINC000813318980 891478733 /nfs/dbraw/zinc/47/87/33/891478733.db2.gz NICSEHXQOWWHIU-UHFFFAOYSA-N 1 1 379.420 3.716 20 5 GHBDMO COc1cc(C)c([C@@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000614962394 891645803 /nfs/dbraw/zinc/64/58/03/891645803.db2.gz AJHMFFQLWDHADL-QGZVFWFLSA-N 1 1 397.475 3.739 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000813823136 891995630 /nfs/dbraw/zinc/99/56/30/891995630.db2.gz FWAZWRNGAONLOM-HTKCERMJSA-N 1 1 379.460 3.777 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000814175953 892328707 /nfs/dbraw/zinc/32/87/07/892328707.db2.gz KWBADGZRTZTNSW-IRXDYDNUSA-N 1 1 375.469 3.735 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)cc1 ZINC000878023183 893957050 /nfs/dbraw/zinc/95/70/50/893957050.db2.gz SELUXGBOTOLIEE-HNNXBMFYSA-N 1 1 380.404 3.643 20 5 GHBDMO CCOC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878105922 894021119 /nfs/dbraw/zinc/02/11/19/894021119.db2.gz COAUHCSWLKWLQF-LBPRGKRZSA-N 1 1 380.832 3.547 20 5 GHBDMO CCOC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878105922 894021132 /nfs/dbraw/zinc/02/11/32/894021132.db2.gz COAUHCSWLKWLQF-LBPRGKRZSA-N 1 1 380.832 3.547 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563759049 894154507 /nfs/dbraw/zinc/15/45/07/894154507.db2.gz VPEOIJRNWLETFG-UWJYYQICSA-N 1 1 396.491 3.606 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459802944 894216095 /nfs/dbraw/zinc/21/60/95/894216095.db2.gz NGFVUYVUXWPYOG-JEBQAFNWSA-N 1 1 386.452 3.579 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)o1 ZINC000878846719 894662993 /nfs/dbraw/zinc/66/29/93/894662993.db2.gz XARURWLZTHNKGY-AWEZNQCLSA-N 1 1 392.843 3.832 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@H](OC3CCC3)C2)o1 ZINC000878846719 894662998 /nfs/dbraw/zinc/66/29/98/894662998.db2.gz XARURWLZTHNKGY-AWEZNQCLSA-N 1 1 392.843 3.832 20 5 GHBDMO O=C(OCc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000817181283 895372646 /nfs/dbraw/zinc/37/26/46/895372646.db2.gz AMPQSFPWHMDNNF-UHFFFAOYSA-N 1 1 396.399 3.530 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774902782 913988759 /nfs/dbraw/zinc/98/87/59/913988759.db2.gz JRXNWCCOCYKMKD-INIZCTEOSA-N 1 1 384.436 3.599 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000565883743 895956587 /nfs/dbraw/zinc/95/65/87/895956587.db2.gz DBQNLKNMZLYSRI-OAHLLOKOSA-N 1 1 387.455 3.648 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000565924725 895984060 /nfs/dbraw/zinc/98/40/60/895984060.db2.gz ZFVQMBMKAQJNCE-SFHVURJKSA-N 1 1 397.475 3.805 20 5 GHBDMO O=[N+]([O-])c1ccc(CCn2cc(C[NH2+][C@@H]3CCCc4ccccc43)nn2)cc1 ZINC000881191929 896230961 /nfs/dbraw/zinc/23/09/61/896230961.db2.gz GIICQBXOFWIACO-OAQYLSRUSA-N 1 1 377.448 3.596 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000567080422 896857596 /nfs/dbraw/zinc/85/75/96/896857596.db2.gz LYJDGKBZKPHQDO-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826293662 897071235 /nfs/dbraw/zinc/07/12/35/897071235.db2.gz XKYRCXXLRZEIIH-HNNXBMFYSA-N 1 1 390.447 3.934 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289338531 914147184 /nfs/dbraw/zinc/14/71/84/914147184.db2.gz LOMPUCIHCPKZTG-RHSMWYFYSA-N 1 1 379.420 3.980 20 5 GHBDMO CC(C)(NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000568102939 897596356 /nfs/dbraw/zinc/59/63/56/897596356.db2.gz WYTYLLSSPJCEAI-SFHVURJKSA-N 1 1 381.476 3.858 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1F ZINC000821786407 898073476 /nfs/dbraw/zinc/07/34/76/898073476.db2.gz ZMWRWHXAUKAJBR-HNNXBMFYSA-N 1 1 389.402 3.576 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000568830943 898143605 /nfs/dbraw/zinc/14/36/05/898143605.db2.gz VNCYNEUAVMUKOI-SECBINFHSA-N 1 1 380.317 3.540 20 5 GHBDMO CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000568916422 898209586 /nfs/dbraw/zinc/20/95/86/898209586.db2.gz YWMWRAXYIWRAEX-QGZVFWFLSA-N 1 1 387.436 3.634 20 5 GHBDMO CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000568916422 898209603 /nfs/dbraw/zinc/20/96/03/898209603.db2.gz YWMWRAXYIWRAEX-QGZVFWFLSA-N 1 1 387.436 3.634 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000568929169 898219538 /nfs/dbraw/zinc/21/95/38/898219538.db2.gz SSICFGPYDMVVHO-NRFANRHFSA-N 1 1 388.439 3.560 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)o2)c1 ZINC000289624936 914268399 /nfs/dbraw/zinc/26/83/99/914268399.db2.gz RPCYXOVKLWUCSJ-YLJYHZDGSA-N 1 1 383.448 3.826 20 5 GHBDMO CCOc1cc(Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)ccc1[N+](=O)[O-] ZINC001186078610 914276055 /nfs/dbraw/zinc/27/60/55/914276055.db2.gz DDEZLPPUNUEVCQ-UHFFFAOYSA-N 1 1 385.464 3.866 20 5 GHBDMO C[C@H](Cc1cccc(F)c1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001171008312 898876266 /nfs/dbraw/zinc/87/62/66/898876266.db2.gz RTBVAUVCBJMQTJ-GFCCVEGCSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001171008312 898876273 /nfs/dbraw/zinc/87/62/73/898876273.db2.gz RTBVAUVCBJMQTJ-GFCCVEGCSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778715548 898901503 /nfs/dbraw/zinc/90/15/03/898901503.db2.gz WUDIGGQKSWPOLW-HOJSVCSCSA-N 1 1 379.460 3.635 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 ZINC001137021610 900099456 /nfs/dbraw/zinc/09/94/56/900099456.db2.gz VACFALSGNUNYAO-FQEVSTJZSA-N 1 1 382.464 3.546 20 5 GHBDMO C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001137043280 900191129 /nfs/dbraw/zinc/19/11/29/900191129.db2.gz PMWIQDPKTRSHSS-KRWDZBQOSA-N 1 1 399.466 3.790 20 5 GHBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000886060049 900697805 /nfs/dbraw/zinc/69/78/05/900697805.db2.gz SLDRIKZXSNPVQG-UHFFFAOYSA-N 1 1 382.464 3.507 20 5 GHBDMO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000574366606 900865840 /nfs/dbraw/zinc/86/58/40/900865840.db2.gz VIFFQXNCEDUVAW-UHFFFAOYSA-N 1 1 398.415 3.811 20 5 GHBDMO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171133830 901020262 /nfs/dbraw/zinc/02/02/62/901020262.db2.gz QZJARWQDRQETBG-LJQANCHMSA-N 1 1 383.423 3.769 20 5 GHBDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171133830 901020275 /nfs/dbraw/zinc/02/02/75/901020275.db2.gz QZJARWQDRQETBG-LJQANCHMSA-N 1 1 383.423 3.769 20 5 GHBDMO C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000575847023 901376910 /nfs/dbraw/zinc/37/69/10/901376910.db2.gz CFSXPOXHNJGOMH-YYWHXJBOSA-N 1 1 393.487 3.679 20 5 GHBDMO CN1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2)CC1 ZINC000047272516 901707672 /nfs/dbraw/zinc/70/76/72/901707672.db2.gz YLCVCTTZETXMHI-UHFFFAOYSA-N 1 1 391.475 3.503 20 5 GHBDMO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000576207355 901815491 /nfs/dbraw/zinc/81/54/91/901815491.db2.gz PQOXHZVTHVMNOG-UHFFFAOYSA-N 1 1 389.499 3.629 20 5 GHBDMO Cc1occc1C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000576434763 902019693 /nfs/dbraw/zinc/01/96/93/902019693.db2.gz MTFCQHLHXUXEMI-UHFFFAOYSA-N 1 1 386.189 3.733 20 5 GHBDMO Cc1occc1C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000576434763 902019696 /nfs/dbraw/zinc/01/96/96/902019696.db2.gz MTFCQHLHXUXEMI-UHFFFAOYSA-N 1 1 386.189 3.733 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1CNc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC000846050421 902637435 /nfs/dbraw/zinc/63/74/35/902637435.db2.gz NOKNQUDBKTURQS-UHFFFAOYSA-N 1 1 398.507 3.532 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000264183010 902897837 /nfs/dbraw/zinc/89/78/37/902897837.db2.gz KVTJNJQTRKNZGZ-UHFFFAOYSA-N 1 1 389.496 3.607 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000130353267 902944744 /nfs/dbraw/zinc/94/47/44/902944744.db2.gz DSCRFKWBNMUISP-QGZVFWFLSA-N 1 1 387.505 3.617 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N[C@H]3CCc4[nH+]c[nH]c4C3)c([N+](=O)[O-])c2)cc1 ZINC000577993912 903424823 /nfs/dbraw/zinc/42/48/23/903424823.db2.gz UPINIKMGBZCCTD-INIZCTEOSA-N 1 1 391.431 3.848 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N[C@H]3CCc4[nH]c[nH+]c4C3)c([N+](=O)[O-])c2)cc1 ZINC000577993912 903424831 /nfs/dbraw/zinc/42/48/31/903424831.db2.gz UPINIKMGBZCCTD-INIZCTEOSA-N 1 1 391.431 3.848 20 5 GHBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cc2)C1 ZINC000601267137 903517412 /nfs/dbraw/zinc/51/74/12/903517412.db2.gz HFDXNGIRZHKKRJ-AWEZNQCLSA-N 1 1 387.411 3.707 20 5 GHBDMO C[C@@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+]1CCCCCC1 ZINC000839863825 903987090 /nfs/dbraw/zinc/98/70/90/903987090.db2.gz LCEWLWJYALCRAM-NHYWBVRUSA-N 1 1 391.365 3.718 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001148519168 904090089 /nfs/dbraw/zinc/09/00/89/904090089.db2.gz ABLIQWWKXVWUBM-NRFANRHFSA-N 1 1 393.487 3.749 20 5 GHBDMO C[NH+](C)[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000578853638 904183016 /nfs/dbraw/zinc/18/30/16/904183016.db2.gz CJXQPEOLQDVSLL-OAHLLOKOSA-N 1 1 378.226 3.599 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001171455676 904719572 /nfs/dbraw/zinc/71/95/72/904719572.db2.gz CJZDLNUCIJIXPJ-GDBMZVCRSA-N 1 1 375.469 3.690 20 5 GHBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC001171606749 904868084 /nfs/dbraw/zinc/86/80/84/904868084.db2.gz BCPGASIGUDKTSZ-DLBZAZTESA-N 1 1 392.814 3.776 20 5 GHBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC[C@@H]21 ZINC001171813862 905072958 /nfs/dbraw/zinc/07/29/58/905072958.db2.gz CZJCZQQQUJMPKW-KSSFIOAISA-N 1 1 389.521 3.796 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC001171906323 905137418 /nfs/dbraw/zinc/13/74/18/905137418.db2.gz JVHGOZRLPISDOE-OAHLLOKOSA-N 1 1 397.475 3.766 20 5 GHBDMO COc1ccccc1-c1csc([C@@H]2CCC[N@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000773342009 905268663 /nfs/dbraw/zinc/26/86/63/905268663.db2.gz BDYYWAOFQSJUNJ-CQSZACIVSA-N 1 1 399.476 3.761 20 5 GHBDMO COc1ccccc1-c1csc([C@@H]2CCC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000773342009 905268676 /nfs/dbraw/zinc/26/86/76/905268676.db2.gz BDYYWAOFQSJUNJ-CQSZACIVSA-N 1 1 399.476 3.761 20 5 GHBDMO CC1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000174863473 905376989 /nfs/dbraw/zinc/37/69/89/905376989.db2.gz WMKOLFLCTVYRLP-UHFFFAOYSA-N 1 1 379.888 3.719 20 5 GHBDMO NC1(c2ccc(F)cc2)CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904497 905926507 /nfs/dbraw/zinc/92/65/07/905926507.db2.gz NZUGOEZUVDATJQ-HXUWFJFHSA-N 1 1 383.467 3.931 20 5 GHBDMO NC1(c2ccc(F)cc2)CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904492 905927795 /nfs/dbraw/zinc/92/77/95/905927795.db2.gz NZUGOEZUVDATJQ-FQEVSTJZSA-N 1 1 383.467 3.931 20 5 GHBDMO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172909000 905952741 /nfs/dbraw/zinc/95/27/41/905952741.db2.gz QHKJDJXPCQCSPW-XJABCFGWSA-N 1 1 388.508 3.750 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172915495 905986903 /nfs/dbraw/zinc/98/69/03/905986903.db2.gz NHBGHPYZFROFND-YJBOKZPZSA-N 1 1 389.496 3.689 20 5 GHBDMO C[C@H]1C[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCC1(F)F ZINC001173010446 906086825 /nfs/dbraw/zinc/08/68/25/906086825.db2.gz RXPYWNQCSHKFOU-NSHDSACASA-N 1 1 375.366 3.819 20 5 GHBDMO CO[C@H]1CCC[C@@H]2C[N@H+](C3CCN(c4c(F)cc([N+](=O)[O-])cc4F)CC3)C[C@@H]21 ZINC001173013519 906090564 /nfs/dbraw/zinc/09/05/64/906090564.db2.gz SCYJUFOXFPDAAD-AZOIQLNYSA-N 1 1 395.450 3.589 20 5 GHBDMO COC[C@@]12CCC[C@@H]1C[N@H+](C1CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC1)C2 ZINC001173014034 906091513 /nfs/dbraw/zinc/09/15/13/906091513.db2.gz OMIMQFXUFHJXLT-VLIAUNLRSA-N 1 1 395.450 3.590 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+](C3CCC3)C3CCOCC3)CC2)c(F)c1 ZINC001173019340 906096270 /nfs/dbraw/zinc/09/62/70/906096270.db2.gz JZEVRXGVWRSBQP-UHFFFAOYSA-N 1 1 395.450 3.875 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c1F ZINC001173191290 906272863 /nfs/dbraw/zinc/27/28/63/906272863.db2.gz BJZQDJZNQYTWME-KGLIPLIRSA-N 1 1 396.459 3.727 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001173220806 906298524 /nfs/dbraw/zinc/29/85/24/906298524.db2.gz CQVAGGIKBITGJB-CVEARBPZSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001173222525 906301332 /nfs/dbraw/zinc/30/13/32/906301332.db2.gz SRPPKQUWHSLSGU-VDZJLULYSA-N 1 1 389.496 3.857 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cnn(CC3CC3)c21 ZINC001173223217 906303819 /nfs/dbraw/zinc/30/38/19/906303819.db2.gz AHDCJDCUHRPOAL-OXJNMPFZSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001173224243 906304901 /nfs/dbraw/zinc/30/49/01/906304901.db2.gz DCSHAOZTIHYRRF-YJBOKZPZSA-N 1 1 377.485 3.905 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2c1cnn2CC1CC1 ZINC001173223795 906305516 /nfs/dbraw/zinc/30/55/16/906305516.db2.gz HRQDDCNWHHKQNM-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2c1cnn2CC1CC1 ZINC001173223795 906305529 /nfs/dbraw/zinc/30/55/29/906305529.db2.gz HRQDDCNWHHKQNM-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001173227686 906311132 /nfs/dbraw/zinc/31/11/32/906311132.db2.gz UVVSSSXIUWFVAD-FOIQADDNSA-N 1 1 385.489 3.716 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001173228345 906312482 /nfs/dbraw/zinc/31/24/82/906312482.db2.gz VBKPADSVYLFYSM-INIZCTEOSA-N 1 1 389.496 3.859 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001173233293 906318591 /nfs/dbraw/zinc/31/85/91/906318591.db2.gz HYVRMEQCYJCDSG-YVEFUNNKSA-N 1 1 378.270 3.578 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001173234461 906321967 /nfs/dbraw/zinc/32/19/67/906321967.db2.gz RQXWPGZHLMDAJI-INMHGKMJSA-N 1 1 377.485 3.903 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299304882 921286129 /nfs/dbraw/zinc/28/61/29/921286129.db2.gz DQURQHYMWJDCOM-SFHVURJKSA-N 1 1 394.431 3.861 20 5 GHBDMO Nc1c2cccnc2c2ncccc2c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175860052 907801684 /nfs/dbraw/zinc/80/16/84/907801684.db2.gz GGLMGSDXTJJZGA-UHFFFAOYSA-N 1 1 385.471 3.941 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001176699132 908214776 /nfs/dbraw/zinc/21/47/76/908214776.db2.gz HBOFAJKJLRBGNH-HIFRSBDPSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001177709208 908724944 /nfs/dbraw/zinc/72/49/44/908724944.db2.gz ZTRCXXRNNLFSLP-INIZCTEOSA-N 1 1 394.475 3.746 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193848018 908760723 /nfs/dbraw/zinc/76/07/23/908760723.db2.gz NMAPVOODPXPZTO-GOSISDBHSA-N 1 1 382.464 3.855 20 5 GHBDMO CC[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C(C)(C)C1 ZINC001178861399 909289515 /nfs/dbraw/zinc/28/95/15/909289515.db2.gz XCZKMVODCURLGL-HXUWFJFHSA-N 1 1 396.491 3.667 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(C)nc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000299625575 921524211 /nfs/dbraw/zinc/52/42/11/921524211.db2.gz MJEBSHJVBBOWHD-UHFFFAOYSA-N 1 1 385.342 3.538 20 5 GHBDMO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1(O)CCCCCC1 ZINC001181056199 910507012 /nfs/dbraw/zinc/50/70/12/910507012.db2.gz PWXKSTYPVQZRNM-UHFFFAOYSA-N 1 1 377.304 3.936 20 5 GHBDMO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1(O)CCCCCC1 ZINC001181056199 910507023 /nfs/dbraw/zinc/50/70/23/910507023.db2.gz PWXKSTYPVQZRNM-UHFFFAOYSA-N 1 1 377.304 3.936 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]1COC(C)(C)O1 ZINC001181746126 910953087 /nfs/dbraw/zinc/95/30/87/910953087.db2.gz ZBHISSHONKCOBQ-FQEVSTJZSA-N 1 1 379.460 3.852 20 5 GHBDMO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273859593 911064717 /nfs/dbraw/zinc/06/47/17/911064717.db2.gz IRJHOTWYCRJQBK-LSDHHAIUSA-N 1 1 391.487 3.781 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000774270070 911597831 /nfs/dbraw/zinc/59/78/31/911597831.db2.gz CDTRXXSPCAMWEU-LJQANCHMSA-N 1 1 384.505 3.792 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000774518630 911887038 /nfs/dbraw/zinc/88/70/38/911887038.db2.gz WEFHXOCYBVCTIK-WBVHZDCISA-N 1 1 396.447 3.799 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1Cl ZINC000774518741 911887380 /nfs/dbraw/zinc/88/73/80/911887380.db2.gz QXWXQQIJTRDZAL-MJBXVCDLSA-N 1 1 395.887 3.876 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001186923438 914905179 /nfs/dbraw/zinc/90/51/79/914905179.db2.gz VVIPIJJGOBLMAM-PMACEKPBSA-N 1 1 387.867 3.728 20 5 GHBDMO CCOCCS(=O)(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001187287328 915153606 /nfs/dbraw/zinc/15/36/06/915153606.db2.gz XMONOMMYWXBXLF-UHFFFAOYSA-N 1 1 387.505 3.541 20 5 GHBDMO Cc1ccccc1[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000796419712 916835256 /nfs/dbraw/zinc/83/52/56/916835256.db2.gz TWYCOVVYBAQNIP-KKSFZXQISA-N 1 1 397.475 3.676 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+](C2CC2)C1 ZINC000295319164 917267556 /nfs/dbraw/zinc/26/75/56/917267556.db2.gz KYSHLIZEKLGKJU-HNNXBMFYSA-N 1 1 375.472 3.650 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC001190426706 917331841 /nfs/dbraw/zinc/33/18/41/917331841.db2.gz KAJTVDRJMWBIGE-LJQANCHMSA-N 1 1 383.448 3.639 20 5 GHBDMO CCOc1cc(CN2CC[NH+](Cc3ccc(CC)s3)CC2)ccc1[N+](=O)[O-] ZINC001191122912 917768964 /nfs/dbraw/zinc/76/89/64/917768964.db2.gz SUYOWZLMSAQCMZ-UHFFFAOYSA-N 1 1 389.521 3.935 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001191519640 918039877 /nfs/dbraw/zinc/03/98/77/918039877.db2.gz ADGASMHHUTWMLZ-NZQKXSOJSA-N 1 1 395.503 3.960 20 5 GHBDMO COc1cc(C[NH+]2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c([N+](=O)[O-])cc1F ZINC000364071824 919119506 /nfs/dbraw/zinc/11/95/06/919119506.db2.gz CXKLASJFMWPUGR-FQEVSTJZSA-N 1 1 399.422 3.690 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000119997228 919675331 /nfs/dbraw/zinc/67/53/31/919675331.db2.gz RJJLHEOVOOIXRU-KDOFPFPSSA-N 1 1 385.489 3.567 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC2CC2)c(OC)c1 ZINC000800501702 920196063 /nfs/dbraw/zinc/19/60/63/920196063.db2.gz XYPNLUDEIXPUNN-FQEVSTJZSA-N 1 1 386.448 3.558 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000298811883 920950849 /nfs/dbraw/zinc/95/08/49/920950849.db2.gz AJLRDASDTORUEC-GFCCVEGCSA-N 1 1 392.481 3.698 20 5 GHBDMO CCOc1ccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000902504032 922244063 /nfs/dbraw/zinc/24/40/63/922244063.db2.gz VQEIDLGKOOQBFP-LZFQIVBZSA-N 1 1 397.475 3.900 20 5 GHBDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000802747825 922379968 /nfs/dbraw/zinc/37/99/68/922379968.db2.gz CZYJSYHOFGHZGJ-XGSMCBPESA-N 1 1 392.463 3.560 20 5 GHBDMO COc1cc([C@H](C)[NH2+]Cc2ccncc2OCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903168383 922825683 /nfs/dbraw/zinc/82/56/83/922825683.db2.gz WCRYBRJQJJRXEL-NSHDSACASA-N 1 1 385.342 3.790 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000370044628 923823788 /nfs/dbraw/zinc/82/37/88/923823788.db2.gz FULJWTUCEZERIU-UHFFFAOYSA-N 1 1 391.884 3.971 20 5 GHBDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000409863879 925079612 /nfs/dbraw/zinc/07/96/12/925079612.db2.gz HCDXRRMKRSTMTD-GOSISDBHSA-N 1 1 399.447 3.778 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000827913434 926263078 /nfs/dbraw/zinc/26/30/78/926263078.db2.gz YKCHSHOCYRMOOB-FUHWJXTLSA-N 1 1 399.894 3.955 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000827913434 926263082 /nfs/dbraw/zinc/26/30/82/926263082.db2.gz YKCHSHOCYRMOOB-FUHWJXTLSA-N 1 1 399.894 3.955 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000374686672 927412677 /nfs/dbraw/zinc/41/26/77/927412677.db2.gz JWZRFSWIHFNPBU-WMZOPIPTSA-N 1 1 397.475 3.634 20 5 GHBDMO Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc1[N+](=O)[O-] ZINC000467036339 928621346 /nfs/dbraw/zinc/62/13/46/928621346.db2.gz REGXGCNDPGAFJA-UHFFFAOYSA-N 1 1 392.253 3.980 20 5 GHBDMO Cc1ccc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cn1 ZINC000543990860 928656350 /nfs/dbraw/zinc/65/63/50/928656350.db2.gz XTRLRSXMIZMZPB-MRXNPFEDSA-N 1 1 382.464 3.813 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544045795 928729993 /nfs/dbraw/zinc/72/99/93/928729993.db2.gz LFZNLWNJUGKUQX-SFHVURJKSA-N 1 1 399.516 3.667 20 5 GHBDMO COc1ccc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000467175147 928789188 /nfs/dbraw/zinc/78/91/88/928789188.db2.gz IQXJRKYRXYMMAT-UHFFFAOYSA-N 1 1 383.448 3.730 20 5 GHBDMO CCOc1ccc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000467759518 929381085 /nfs/dbraw/zinc/38/10/85/929381085.db2.gz NPQHOMOBAHLXIX-UHFFFAOYSA-N 1 1 377.828 3.961 20 5 GHBDMO CC[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757113798 929652792 /nfs/dbraw/zinc/65/27/92/929652792.db2.gz ZJQHVXGPFUUVQP-YJBOKZPZSA-N 1 1 393.484 3.599 20 5 GHBDMO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000546377635 930104129 /nfs/dbraw/zinc/10/41/29/930104129.db2.gz OPATVFCDEBPZGI-IBGZPJMESA-N 1 1 393.447 3.970 20 5 GHBDMO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000546377635 930104132 /nfs/dbraw/zinc/10/41/32/930104132.db2.gz OPATVFCDEBPZGI-IBGZPJMESA-N 1 1 393.447 3.970 20 5 GHBDMO CCOc1cccc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000546578340 930274735 /nfs/dbraw/zinc/27/47/35/930274735.db2.gz MOEZERRZOKWWRZ-CALCHBBNSA-N 1 1 391.512 3.709 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000470172210 930429820 /nfs/dbraw/zinc/42/98/20/930429820.db2.gz SZIOHWFCCICWBN-RVDMUPIBSA-N 1 1 395.488 3.825 20 5 GHBDMO COc1cc(NC(=O)C[N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000470180982 930436650 /nfs/dbraw/zinc/43/66/50/930436650.db2.gz WCILVMXADSEKIJ-NVNXTCNLSA-N 1 1 399.447 3.586 20 5 GHBDMO COc1cc(NC(=O)C[N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000470180982 930436653 /nfs/dbraw/zinc/43/66/53/930436653.db2.gz WCILVMXADSEKIJ-NVNXTCNLSA-N 1 1 399.447 3.586 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000470211997 930456415 /nfs/dbraw/zinc/45/64/15/930456415.db2.gz PBRJPNNSNJEKEJ-KNTRCKAVSA-N 1 1 387.524 3.823 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000470864726 930980263 /nfs/dbraw/zinc/98/02/63/930980263.db2.gz BYPVFGIFBFKYTP-GOSISDBHSA-N 1 1 393.487 3.994 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000471071734 931133740 /nfs/dbraw/zinc/13/37/40/931133740.db2.gz ZVIODGUUBRCWMF-IRLDBZIGSA-N 1 1 397.475 3.820 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000471071734 931133743 /nfs/dbraw/zinc/13/37/43/931133743.db2.gz ZVIODGUUBRCWMF-IRLDBZIGSA-N 1 1 397.475 3.820 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(Cl)nc4ccccc34)CC2)cn1 ZINC000782475207 931235238 /nfs/dbraw/zinc/23/52/38/931235238.db2.gz VXIDASGMCYLSIS-UHFFFAOYSA-N 1 1 383.839 3.514 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782499161 931243027 /nfs/dbraw/zinc/24/30/27/931243027.db2.gz LWBWYMZJOJUWKC-CQSZACIVSA-N 1 1 387.411 3.561 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557458728 931443453 /nfs/dbraw/zinc/44/34/53/931443453.db2.gz ABOKUIZPYOBSLF-IBGZPJMESA-N 1 1 379.416 3.757 20 5 GHBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000557527468 931519424 /nfs/dbraw/zinc/51/94/24/931519424.db2.gz PMKACZFTILZXHN-OAHLLOKOSA-N 1 1 399.447 3.562 20 5 GHBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000557527468 931519425 /nfs/dbraw/zinc/51/94/25/931519425.db2.gz PMKACZFTILZXHN-OAHLLOKOSA-N 1 1 399.447 3.562 20 5 GHBDMO Cc1c(CC(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000797030486 932152923 /nfs/dbraw/zinc/15/29/23/932152923.db2.gz CXTBBSPMXJZWFH-IBGZPJMESA-N 1 1 382.460 3.901 20 5 GHBDMO CC(C)O[C@@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000797287683 932241052 /nfs/dbraw/zinc/24/10/52/932241052.db2.gz VBWZBGCCPVNSOY-LEWJYISDSA-N 1 1 398.459 3.879 20 5 GHBDMO CC(C)O[C@@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000797287683 932241059 /nfs/dbraw/zinc/24/10/59/932241059.db2.gz VBWZBGCCPVNSOY-LEWJYISDSA-N 1 1 398.459 3.879 20 5 GHBDMO CCc1ccc(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000798527774 932692155 /nfs/dbraw/zinc/69/21/55/932692155.db2.gz IHXABVGGPTXTCN-QFIPXVFZSA-N 1 1 381.476 3.799 20 5 GHBDMO C[C@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000798528812 932692948 /nfs/dbraw/zinc/69/29/48/932692948.db2.gz GEJJIFIPKMBCJL-KSFYIVLOSA-N 1 1 399.466 3.866 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)cc1Cl ZINC000798963131 932842540 /nfs/dbraw/zinc/84/25/40/932842540.db2.gz XTFLTDPPWQAPNM-UHFFFAOYSA-N 1 1 375.734 3.874 20 5 GHBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000799056992 932865838 /nfs/dbraw/zinc/86/58/38/932865838.db2.gz JREOWNIOWQHYLI-UHFFFAOYSA-N 1 1 376.844 3.628 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000777806469 933544651 /nfs/dbraw/zinc/54/46/51/933544651.db2.gz AKSLAUGXBHODKR-IEBWSBKVSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000777806469 933544658 /nfs/dbraw/zinc/54/46/58/933544658.db2.gz AKSLAUGXBHODKR-IEBWSBKVSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000777806469 933544666 /nfs/dbraw/zinc/54/46/66/933544666.db2.gz AKSLAUGXBHODKR-IEBWSBKVSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](c3nc4ccccc4[nH]3)C1)OCCO2 ZINC001116439957 933558879 /nfs/dbraw/zinc/55/88/79/933558879.db2.gz ZQPUTTYLKSFZQB-CQSZACIVSA-N 1 1 394.431 3.622 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000561683468 934363815 /nfs/dbraw/zinc/36/38/15/934363815.db2.gz HWWCDNGHGDDLMH-QZTJIDSGSA-N 1 1 385.468 3.518 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931191266 934427561 /nfs/dbraw/zinc/42/75/61/934427561.db2.gz SRLPIPNHDKWWES-RYGJVYDSSA-N 1 1 399.516 3.788 20 5 GHBDMO C[C@@H](CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000778027117 934720849 /nfs/dbraw/zinc/72/08/49/934720849.db2.gz VHZLLCMYFOPJHL-HNNXBMFYSA-N 1 1 391.418 3.713 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cccc1[N+](=O)[O-] ZINC000931912441 934762759 /nfs/dbraw/zinc/76/27/59/934762759.db2.gz CDXUSXMWSQDACD-NHYWBVRUSA-N 1 1 389.349 3.597 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cccc1[N+](=O)[O-] ZINC000931912441 934762763 /nfs/dbraw/zinc/76/27/63/934762763.db2.gz CDXUSXMWSQDACD-NHYWBVRUSA-N 1 1 389.349 3.597 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1F ZINC000828994844 935752311 /nfs/dbraw/zinc/75/23/11/935752311.db2.gz JLBWOGVORWXMQX-HNNXBMFYSA-N 1 1 389.402 3.528 20 5 GHBDMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001138020670 935931726 /nfs/dbraw/zinc/93/17/26/935931726.db2.gz MRPTYXYHKUOSFZ-LJQANCHMSA-N 1 1 393.447 3.773 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001138020670 935931727 /nfs/dbraw/zinc/93/17/27/935931727.db2.gz MRPTYXYHKUOSFZ-LJQANCHMSA-N 1 1 393.447 3.773 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001226752817 1032113173 /nfs/dbraw/zinc/11/31/73/1032113173.db2.gz AANFACLPEVEUSQ-SFHVURJKSA-N 1 1 376.501 3.784 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC001226789473 1032129081 /nfs/dbraw/zinc/12/90/81/1032129081.db2.gz TZDOAGQNVWSEIT-TZMCWYRMSA-N 1 1 392.253 3.967 20 5 GHBDMO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545475750 1015916435 /nfs/dbraw/zinc/91/64/35/1015916435.db2.gz JZFQTRQYHQUWLI-FQEVSTJZSA-N 1 1 381.476 3.569 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1F)ncnc2O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001226803558 1032135595 /nfs/dbraw/zinc/13/55/95/1032135595.db2.gz BKQGRFZDFDUJQQ-HNNXBMFYSA-N 1 1 382.395 3.721 20 5 GHBDMO C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000469054236 1016379936 /nfs/dbraw/zinc/37/99/36/1016379936.db2.gz SKZLJITWPUGSIS-LLVKDONJSA-N 1 1 387.346 3.604 20 5 GHBDMO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000545832337 1016477428 /nfs/dbraw/zinc/47/74/28/1016477428.db2.gz JSPWOJGMNYFFHX-OAHLLOKOSA-N 1 1 399.466 3.575 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001227296348 1032360168 /nfs/dbraw/zinc/36/01/68/1032360168.db2.gz WIHZGJCSXRWSMW-FOIQADDNSA-N 1 1 384.432 3.671 20 5 GHBDMO CCOC(=O)c1ccc(O[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001227301941 1032363058 /nfs/dbraw/zinc/36/30/58/1032363058.db2.gz RXGJLHZWCIQQGC-YWZLYKJASA-N 1 1 384.432 3.671 20 5 GHBDMO Cc1nc(Cl)nc(O[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001227338069 1032380462 /nfs/dbraw/zinc/38/04/62/1032380462.db2.gz IXSIQPQJIKNKLX-WFASDCNBSA-N 1 1 376.844 3.636 20 5 GHBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001227544208 1032458745 /nfs/dbraw/zinc/45/87/45/1032458745.db2.gz JQYZYRABHIROAC-HIFRSBDPSA-N 1 1 390.461 3.732 20 5 GHBDMO CCC[N@@H+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(Cl)cc1 ZINC000562858322 1018716148 /nfs/dbraw/zinc/71/61/48/1018716148.db2.gz RZUACPPZWQKSBY-GOSISDBHSA-N 1 1 390.871 3.765 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc(C)ccc3[N+](=O)[O-])C2)s1 ZINC000578994089 1020379045 /nfs/dbraw/zinc/37/90/45/1020379045.db2.gz LYJUWPXRIOFQMZ-INIZCTEOSA-N 1 1 387.505 3.867 20 5 GHBDMO COc1cc(C[N@H+]2CCSCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000191813616 1020815268 /nfs/dbraw/zinc/81/52/68/1020815268.db2.gz ZZZNPAVCRQNSLN-NSHDSACASA-N 1 1 394.415 3.872 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)cnc2c1 ZINC001156315161 1032976687 /nfs/dbraw/zinc/97/66/87/1032976687.db2.gz KJDMAQAZRYANTN-NZSAHSFTSA-N 1 1 389.459 3.861 20 5 GHBDMO CCOc1cc(C[N@@H+](Cc2ccc(C(=O)NC)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000754979355 1022996135 /nfs/dbraw/zinc/99/61/35/1022996135.db2.gz JPNYFAFZMBBICD-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000836785969 1023365085 /nfs/dbraw/zinc/36/50/85/1023365085.db2.gz NTMVHLHRICTCOA-UHFFFAOYSA-N 1 1 381.782 3.561 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1Cl ZINC000836787620 1023365384 /nfs/dbraw/zinc/36/53/84/1023365384.db2.gz NTHDJRNXELWAOB-UHFFFAOYSA-N 1 1 379.844 3.744 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756920101 1023866807 /nfs/dbraw/zinc/86/68/07/1023866807.db2.gz MDMIJFDNBLBARS-GASCZTMLSA-N 1 1 396.919 3.806 20 5 GHBDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC001162867067 1025947369 /nfs/dbraw/zinc/94/73/69/1025947369.db2.gz FVQMEQQLVRUZHA-LIRRHRJNSA-N 1 1 387.459 3.569 20 5 GHBDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC001162867067 1025947375 /nfs/dbraw/zinc/94/73/75/1025947375.db2.gz FVQMEQQLVRUZHA-LIRRHRJNSA-N 1 1 387.459 3.569 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000839500230 1025987321 /nfs/dbraw/zinc/98/73/21/1025987321.db2.gz DPWVAIUHXYHWCP-IAGOWNOFSA-N 1 1 389.477 3.573 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N[C@@H](c2ccccc2)c2cccnn2)ncc1[N+](=O)[O-] ZINC001163108474 1026046072 /nfs/dbraw/zinc/04/60/72/1026046072.db2.gz JICBEHXMGJDIRG-XETPZZHUSA-N 1 1 376.420 3.514 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000839674108 1026190493 /nfs/dbraw/zinc/19/04/93/1026190493.db2.gz BXEKQWOXJYPTQP-HXUWFJFHSA-N 1 1 391.468 3.579 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000839674108 1026190496 /nfs/dbraw/zinc/19/04/96/1026190496.db2.gz BXEKQWOXJYPTQP-HXUWFJFHSA-N 1 1 391.468 3.579 20 5 GHBDMO O=[N+]([O-])c1cnc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)nc1 ZINC001163464987 1026204224 /nfs/dbraw/zinc/20/42/24/1026204224.db2.gz FDZUBESOBJCTHV-VQTJNVASSA-N 1 1 393.422 3.604 20 5 GHBDMO C[C@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000839863994 1026319300 /nfs/dbraw/zinc/31/93/00/1026319300.db2.gz MPHZKDIWFPHAOW-RSQPEXBXSA-N 1 1 391.365 3.715 20 5 GHBDMO C[C@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000839863994 1026319311 /nfs/dbraw/zinc/31/93/11/1026319311.db2.gz MPHZKDIWFPHAOW-RSQPEXBXSA-N 1 1 391.365 3.715 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N2CCn3cccc3[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC001163844520 1026336664 /nfs/dbraw/zinc/33/66/64/1026336664.db2.gz BKFMWJYEYDYQAJ-RSNBEDGSSA-N 1 1 389.459 3.933 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001164480236 1026523291 /nfs/dbraw/zinc/52/32/91/1026523291.db2.gz OZOISILQTDCBGL-OWCLPIDISA-N 1 1 385.439 3.857 20 5 GHBDMO O=[N+]([O-])c1cnc2cccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n21 ZINC001164498766 1026533861 /nfs/dbraw/zinc/53/38/61/1026533861.db2.gz GXQXOCQJKGUYNS-RCCFBDPRSA-N 1 1 377.448 3.565 20 5 GHBDMO COC(=O)c1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC001164498797 1026534499 /nfs/dbraw/zinc/53/44/99/1026534499.db2.gz HKGVCZMSLPDTKU-ORYQWCPZSA-N 1 1 395.459 3.704 20 5 GHBDMO CN1Cc2cc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)cc([N+](=O)[O-])c2N1 ZINC001164499478 1026536364 /nfs/dbraw/zinc/53/63/64/1026536364.db2.gz RCWIXQRXKZZNEB-NSISKUIASA-N 1 1 393.491 3.690 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC3(C2)C[NH+](Cc2ccccc2)C3)cnc1Cl ZINC001165121130 1026617290 /nfs/dbraw/zinc/61/72/90/1026617290.db2.gz UMHRSGPEHPJFJL-UHFFFAOYSA-N 1 1 394.809 3.510 20 5 GHBDMO Cc1ncc([N+](=O)[O-])c(N(C)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)n1 ZINC001165130479 1026623385 /nfs/dbraw/zinc/62/33/85/1026623385.db2.gz IVQHINNRACBKIT-UHFFFAOYSA-N 1 1 389.459 3.603 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001461341809 1069509269 /nfs/dbraw/zinc/50/92/69/1069509269.db2.gz KAJWNMKQUYQHDO-MJGOQNOKSA-N 1 1 395.459 3.507 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@@H]1C[NH2+][C@H](C)C1 ZINC001218048603 1030741380 /nfs/dbraw/zinc/74/13/80/1030741380.db2.gz DQPMMPPXXBZFHS-HIFRSBDPSA-N 1 1 395.455 3.995 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001223871225 1030783584 /nfs/dbraw/zinc/78/35/84/1030783584.db2.gz XODNWGYGBOHYFS-ZWKOTPCHSA-N 1 1 396.491 3.819 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001151210402 1030807432 /nfs/dbraw/zinc/80/74/32/1030807432.db2.gz KDIBYPMJMIPIJL-GOEBONIOSA-N 1 1 387.867 3.746 20 5 GHBDMO O=[N+]([O-])c1ccc(CO[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c([N+](=O)[O-])c1 ZINC001224098710 1030883638 /nfs/dbraw/zinc/88/36/38/1030883638.db2.gz AVSHXHWKRWHFMF-LKUPVBHCSA-N 1 1 397.431 3.930 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4CC[C@H]5C[NH2+]C[C@H]54)ccc3c21 ZINC001218471817 1030952359 /nfs/dbraw/zinc/95/23/59/1030952359.db2.gz ILUQEQLJGVYSLS-YMRXKLBXSA-N 1 1 377.396 3.775 20 5 GHBDMO O=[N+]([O-])C[C@@H](OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC001224822792 1031137080 /nfs/dbraw/zinc/13/70/80/1031137080.db2.gz DEBQRANPZMVIHJ-XMSQKQJNSA-N 1 1 398.459 3.662 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224988521 1031201678 /nfs/dbraw/zinc/20/16/78/1031201678.db2.gz DAXZWGWMSQFWHG-UTKZUKDTSA-N 1 1 398.459 3.565 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001225451333 1031422104 /nfs/dbraw/zinc/42/21/04/1031422104.db2.gz QOHMMWINPCFDPH-KXBFYZLASA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225895327 1031681712 /nfs/dbraw/zinc/68/17/12/1031681712.db2.gz SCBVFOHFONBKCH-OCCSQVGLSA-N 1 1 390.371 3.642 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225895327 1031681720 /nfs/dbraw/zinc/68/17/20/1031681720.db2.gz SCBVFOHFONBKCH-OCCSQVGLSA-N 1 1 390.371 3.642 20 5 GHBDMO CC[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC001153909422 1031808958 /nfs/dbraw/zinc/80/89/58/1031808958.db2.gz AMOMPFXJGXUAMD-HXUWFJFHSA-N 1 1 395.503 3.995 20 5 GHBDMO CC[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001153909422 1031808968 /nfs/dbraw/zinc/80/89/68/1031808968.db2.gz AMOMPFXJGXUAMD-HXUWFJFHSA-N 1 1 395.503 3.995 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2cc([N+](=O)[O-])c(F)cc2F)O1 ZINC001226179791 1031835021 /nfs/dbraw/zinc/83/50/21/1031835021.db2.gz FTTKYMGFNJYSMC-OAHLLOKOSA-N 1 1 392.402 3.931 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2cc([N+](=O)[O-])c(F)cc2F)O1 ZINC001226179791 1031835033 /nfs/dbraw/zinc/83/50/33/1031835033.db2.gz FTTKYMGFNJYSMC-OAHLLOKOSA-N 1 1 392.402 3.931 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226437044 1031959311 /nfs/dbraw/zinc/95/93/11/1031959311.db2.gz SCRJKWBFUUFIOM-QRWLVFNGSA-N 1 1 378.432 3.827 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(O[C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)c2c1 ZINC001226441540 1031961620 /nfs/dbraw/zinc/96/16/20/1031961620.db2.gz RFDIPIALJAPGAY-MRXNPFEDSA-N 1 1 382.395 3.721 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226441512 1031961785 /nfs/dbraw/zinc/96/17/85/1031961785.db2.gz RAANLVQNHRHNGX-ZBFHGGJFSA-N 1 1 379.420 3.537 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001157066950 1033398788 /nfs/dbraw/zinc/39/87/88/1033398788.db2.gz PHZQJKUKBUWVMW-UHFFFAOYSA-N 1 1 378.835 3.883 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001157067053 1033398920 /nfs/dbraw/zinc/39/89/20/1033398920.db2.gz UJEBCGDPLCEMDI-UHFFFAOYSA-N 1 1 395.438 3.778 20 5 GHBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)n1 ZINC001157066776 1033399292 /nfs/dbraw/zinc/39/92/92/1033399292.db2.gz KYKGRELQBMWKBV-UHFFFAOYSA-N 1 1 393.850 3.587 20 5 GHBDMO CN(CC[N@@H+](C)Cc1ccccc1)c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001157559134 1033660107 /nfs/dbraw/zinc/66/01/07/1033660107.db2.gz VAJWGHBDRXMSGJ-UHFFFAOYSA-N 1 1 385.855 3.760 20 5 GHBDMO C[C@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001229793049 1033720099 /nfs/dbraw/zinc/72/00/99/1033720099.db2.gz JUHGHJHCALWYFH-IRXDYDNUSA-N 1 1 384.480 3.866 20 5 GHBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001229899609 1033782950 /nfs/dbraw/zinc/78/29/50/1033782950.db2.gz NAHXREFKSLYRCZ-HZPDHXFCSA-N 1 1 399.447 3.689 20 5 GHBDMO C[C@@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001230216230 1033947743 /nfs/dbraw/zinc/94/77/43/1033947743.db2.gz CGRYBKDUMJSFDU-NUJGCVRESA-N 1 1 382.464 3.618 20 5 GHBDMO [NH3+]CCc1cn(-c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c2ccncc12 ZINC001160952372 1035104289 /nfs/dbraw/zinc/10/42/89/1035104289.db2.gz XRIARQVGOAXWAF-UHFFFAOYSA-N 1 1 377.379 3.636 20 5 GHBDMO COc1ccc(F)cc1C[NH+]1CCC(Nc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001161151956 1035160737 /nfs/dbraw/zinc/16/07/37/1035160737.db2.gz PQWBWGSBLFQOEC-UHFFFAOYSA-N 1 1 394.834 3.867 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2OC(F)(F)F)no1 ZINC001247666137 1038303343 /nfs/dbraw/zinc/30/33/43/1038303343.db2.gz LWBPRCYGOBDCAN-LBPRGKRZSA-N 1 1 394.309 3.786 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc(F)c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001233698015 1039545437 /nfs/dbraw/zinc/54/54/37/1039545437.db2.gz DWKCUEXECICVCX-MRXNPFEDSA-N 1 1 378.375 3.543 20 5 GHBDMO CN(C(=O)C[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001253404227 1039603520 /nfs/dbraw/zinc/60/35/20/1039603520.db2.gz RONQEIVWRKZPSZ-GCJKJVERSA-N 1 1 379.460 3.959 20 5 GHBDMO CN(C(=O)C[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001253404226 1039603952 /nfs/dbraw/zinc/60/39/52/1039603952.db2.gz RONQEIVWRKZPSZ-AVRDEDQJSA-N 1 1 379.460 3.959 20 5 GHBDMO O=[N+]([O-])c1cccc2ccc(OC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)nc21 ZINC001233837198 1039656201 /nfs/dbraw/zinc/65/62/01/1039656201.db2.gz XHSUVKJAFCZIEB-LJQANCHMSA-N 1 1 393.443 3.813 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001234056895 1039790350 /nfs/dbraw/zinc/79/03/50/1039790350.db2.gz HQHXTOIVNYSNGB-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)c1ccc(Br)cc1 ZINC001254539913 1040309956 /nfs/dbraw/zinc/30/99/56/1040309956.db2.gz LVRDVYYJTUCMES-MLGOLLRUSA-N 1 1 378.270 3.578 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001254555907 1040325747 /nfs/dbraw/zinc/32/57/47/1040325747.db2.gz JKKLZLCQZONNGO-NQSCKRDGSA-N 1 1 388.508 3.681 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cnn(CC3CC3)c21 ZINC001254556385 1040326854 /nfs/dbraw/zinc/32/68/54/1040326854.db2.gz KRVLILHMUAFKGF-OXJNMPFZSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cnn(CC3CC3)c21 ZINC001254556382 1040326899 /nfs/dbraw/zinc/32/68/99/1040326899.db2.gz KRVLILHMUAFKGF-JXFKEZNVSA-N 1 1 398.507 3.768 20 5 GHBDMO Cc1ccc(N2C[C@]3(CC[N@H+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C3)CC2=O)cc1 ZINC001254561694 1040334326 /nfs/dbraw/zinc/33/43/26/1040334326.db2.gz IIUDYQHMMKFGQA-WZONZLPQSA-N 1 1 393.487 3.963 20 5 GHBDMO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609365 1040381410 /nfs/dbraw/zinc/38/14/10/1040381410.db2.gz VTILLRUXWDVSGH-YPAWHYETSA-N 1 1 394.471 3.873 20 5 GHBDMO CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612808 1040383965 /nfs/dbraw/zinc/38/39/65/1040383965.db2.gz ZEMQBJOJCOYCIP-DNVCBOLYSA-N 1 1 389.496 3.641 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001292423164 1043726602 /nfs/dbraw/zinc/72/66/02/1043726602.db2.gz UBHKTDYMJXNHSM-DAYGRLMNSA-N 1 1 377.460 3.530 20 5 GHBDMO CCC[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C(C)C ZINC001293906141 1044371902 /nfs/dbraw/zinc/37/19/02/1044371902.db2.gz VCYAVCUKRLZIKB-MRXNPFEDSA-N 1 1 388.516 3.818 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1Cl ZINC001294799870 1044797467 /nfs/dbraw/zinc/79/74/67/1044797467.db2.gz ABRDNMMDKUWEBZ-GOEBONIOSA-N 1 1 387.867 3.949 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001295095674 1044913063 /nfs/dbraw/zinc/91/30/63/1044913063.db2.gz UWYDGTXWGNYACR-WMLDXEAASA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001295095674 1044913067 /nfs/dbraw/zinc/91/30/67/1044913067.db2.gz UWYDGTXWGNYACR-WMLDXEAASA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC001296030936 1045226110 /nfs/dbraw/zinc/22/61/10/1045226110.db2.gz KRMBVLVZNKLZSA-CYBMUJFWSA-N 1 1 398.221 3.957 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC001296030936 1045226121 /nfs/dbraw/zinc/22/61/21/1045226121.db2.gz KRMBVLVZNKLZSA-CYBMUJFWSA-N 1 1 398.221 3.957 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001297113774 1045454404 /nfs/dbraw/zinc/45/44/04/1045454404.db2.gz AVHYBFQUCFGHCW-SFHVURJKSA-N 1 1 397.479 3.512 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccncn3)CC2)c(Br)c1 ZINC001261361889 1045978489 /nfs/dbraw/zinc/97/84/89/1045978489.db2.gz IBNOCYVTLWFTHF-UHFFFAOYSA-N 1 1 377.242 3.527 20 5 GHBDMO CC(C)(Oc1ccccc1)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001263475293 1046872211 /nfs/dbraw/zinc/87/22/11/1046872211.db2.gz BNUHHZYKQBXPMW-IBGZPJMESA-N 1 1 384.432 3.570 20 5 GHBDMO CC(C)(Oc1ccccc1)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001263475293 1046872226 /nfs/dbraw/zinc/87/22/26/1046872226.db2.gz BNUHHZYKQBXPMW-IBGZPJMESA-N 1 1 384.432 3.570 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001266224314 1047718787 /nfs/dbraw/zinc/71/87/87/1047718787.db2.gz FRULBDLOFIMNQR-IAGOWNOFSA-N 1 1 397.475 3.729 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001266224314 1047718789 /nfs/dbraw/zinc/71/87/89/1047718789.db2.gz FRULBDLOFIMNQR-IAGOWNOFSA-N 1 1 397.475 3.729 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001287694392 1048891207 /nfs/dbraw/zinc/89/12/07/1048891207.db2.gz SCZUFNGDMKYBQD-XEHJXZTKSA-N 1 1 393.487 3.583 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC001306920818 1048960737 /nfs/dbraw/zinc/96/07/37/1048960737.db2.gz PQIFRIUFVCTJDO-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO Cc1c(Br)c(NCCCC[N@@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001306934401 1048967129 /nfs/dbraw/zinc/96/71/29/1048967129.db2.gz RRNMDIKSCDYJGD-GFCCVEGCSA-N 1 1 385.306 3.985 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)c2c1 ZINC001307088131 1049066034 /nfs/dbraw/zinc/06/60/34/1049066034.db2.gz CHDUURWASJKTAN-QRWLVFNGSA-N 1 1 392.459 3.506 20 5 GHBDMO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001307491793 1049332288 /nfs/dbraw/zinc/33/22/88/1049332288.db2.gz ZPZDIZYSDAFQTN-UHFFFAOYSA-N 1 1 388.899 3.502 20 5 GHBDMO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001307491793 1049332301 /nfs/dbraw/zinc/33/23/01/1049332301.db2.gz ZPZDIZYSDAFQTN-UHFFFAOYSA-N 1 1 388.899 3.502 20 5 GHBDMO C[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OC(C)(C)C ZINC001307860329 1049644102 /nfs/dbraw/zinc/64/41/02/1049644102.db2.gz NZECUPTYOFRZSI-MAUKXSAKSA-N 1 1 378.469 3.806 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OC(C)(C)C ZINC001307860329 1049644104 /nfs/dbraw/zinc/64/41/04/1049644104.db2.gz NZECUPTYOFRZSI-MAUKXSAKSA-N 1 1 378.469 3.806 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1OC ZINC001307912753 1049689903 /nfs/dbraw/zinc/68/99/03/1049689903.db2.gz BWMLORXWAMSXTF-ONGXBYRLSA-N 1 1 392.496 3.887 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC001308035997 1049786212 /nfs/dbraw/zinc/78/62/12/1049786212.db2.gz ZESZVXRXOZNOPF-SFHVURJKSA-N 1 1 394.475 3.716 20 5 GHBDMO CCC[N@H+]1CC[C@@H](NCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC001308475384 1049984664 /nfs/dbraw/zinc/98/46/64/1049984664.db2.gz PLSAPGQQVSSZIT-LJQANCHMSA-N 1 1 399.491 3.756 20 5 GHBDMO CCCN1CC[C@@H]([NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC001308475384 1049984666 /nfs/dbraw/zinc/98/46/66/1049984666.db2.gz PLSAPGQQVSSZIT-LJQANCHMSA-N 1 1 399.491 3.756 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC001308703734 1050065011 /nfs/dbraw/zinc/06/50/11/1050065011.db2.gz MCZXOSJTFQIXDY-UHFFFAOYSA-N 1 1 398.360 3.860 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC001308703734 1050065015 /nfs/dbraw/zinc/06/50/15/1050065015.db2.gz MCZXOSJTFQIXDY-UHFFFAOYSA-N 1 1 398.360 3.860 20 5 GHBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC[C@@H]2N1 ZINC001330864948 1051132947 /nfs/dbraw/zinc/13/29/47/1051132947.db2.gz DFAATZLHSDODNH-WBMJQRKESA-N 1 1 389.839 3.609 20 5 GHBDMO C[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001313350704 1053027481 /nfs/dbraw/zinc/02/74/81/1053027481.db2.gz GGPOOMWULQQDPZ-QZTJIDSGSA-N 1 1 396.491 3.614 20 5 GHBDMO C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001313350704 1053027488 /nfs/dbraw/zinc/02/74/88/1053027488.db2.gz GGPOOMWULQQDPZ-QZTJIDSGSA-N 1 1 396.491 3.614 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)NCc1ccccc1 ZINC001318368107 1054590749 /nfs/dbraw/zinc/59/07/49/1054590749.db2.gz QLCYVSMNESMUQJ-UHFFFAOYSA-N 1 1 399.834 3.914 20 5 GHBDMO CN1CC[NH+](Cc2cccc(CNc3ccc4ncccc4c3[N+](=O)[O-])c2)CC1 ZINC001318726602 1054827941 /nfs/dbraw/zinc/82/79/41/1054827941.db2.gz CTOLJDKWORBWPT-UHFFFAOYSA-N 1 1 391.475 3.503 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001319073335 1055022092 /nfs/dbraw/zinc/02/20/92/1055022092.db2.gz VBLSMZHVJXWRIX-VQIMIIECSA-N 1 1 382.464 3.530 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001319073335 1055022106 /nfs/dbraw/zinc/02/21/06/1055022106.db2.gz VBLSMZHVJXWRIX-VQIMIIECSA-N 1 1 382.464 3.530 20 5 GHBDMO Cc1cc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001320225837 1055715353 /nfs/dbraw/zinc/71/53/53/1055715353.db2.gz NRJIWCRUCRGRQU-WMZOPIPTSA-N 1 1 395.507 3.847 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)nc2c1 ZINC001320830242 1055978368 /nfs/dbraw/zinc/97/83/68/1055978368.db2.gz JUOOLXGNDYUGPO-ZDUSSCGKSA-N 1 1 376.420 3.727 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)nc2c1 ZINC001320830242 1055978370 /nfs/dbraw/zinc/97/83/70/1055978370.db2.gz JUOOLXGNDYUGPO-ZDUSSCGKSA-N 1 1 376.420 3.727 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001321446814 1056267019 /nfs/dbraw/zinc/26/70/19/1056267019.db2.gz TUODZPHTMUBERB-INIZCTEOSA-N 1 1 389.496 3.990 20 5 GHBDMO Cc1c(C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)cnn1-c1cc[nH+]cc1 ZINC001323457753 1056973051 /nfs/dbraw/zinc/97/30/51/1056973051.db2.gz ORXAMRMXMQNEFT-UHFFFAOYSA-N 1 1 396.403 3.628 20 5 GHBDMO COc1ccc([C@H]2CCC[N@@H+]2CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000848474097 1057110801 /nfs/dbraw/zinc/11/08/01/1057110801.db2.gz XQVKYOYCXHCTFC-LEWJYISDSA-N 1 1 395.459 3.714 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000848474097 1057110803 /nfs/dbraw/zinc/11/08/03/1057110803.db2.gz XQVKYOYCXHCTFC-LEWJYISDSA-N 1 1 395.459 3.714 20 5 GHBDMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC001324383778 1057123262 /nfs/dbraw/zinc/12/32/62/1057123262.db2.gz NYSZJUSHUIYJIO-ALOPSCKCSA-N 1 1 385.489 3.972 20 5 GHBDMO Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC001325338659 1057315160 /nfs/dbraw/zinc/31/51/60/1057315160.db2.gz JCZBJTMBABOLJG-HOCLYGCPSA-N 1 1 386.427 3.644 20 5 GHBDMO C[N@@H+](CCCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC001440618798 1058548948 /nfs/dbraw/zinc/54/89/48/1058548948.db2.gz SWMCPXAYLLOEFC-UHFFFAOYSA-N 1 1 381.904 3.952 20 5 GHBDMO Cc1cccc(NC[C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC001340938855 1060267827 /nfs/dbraw/zinc/26/78/27/1060267827.db2.gz CJKRUVHSJGKGDH-GOSISDBHSA-N 1 1 397.479 3.512 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC001340938940 1060268966 /nfs/dbraw/zinc/26/89/66/1060268966.db2.gz CQMKSPZGZRPHIK-HNNXBMFYSA-N 1 1 396.447 3.738 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001453741421 1061195044 /nfs/dbraw/zinc/19/50/44/1061195044.db2.gz SKEBXJGYAUFUDO-HXUWFJFHSA-N 1 1 399.466 3.645 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1F ZINC001435994623 1063071901 /nfs/dbraw/zinc/07/19/01/1063071901.db2.gz KAFSBENKRYZTTJ-LJQANCHMSA-N 1 1 387.455 3.929 20 5 GHBDMO Cc1c(Br)c(NC[C@@H]2CCC[N@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC001458267716 1063707108 /nfs/dbraw/zinc/70/71/08/1063707108.db2.gz HZAXRDMHLJQMBP-ZDUSSCGKSA-N 1 1 385.306 3.841 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N3CC[N@@H+](C)[C@@H](Cc4ccccc4)C3)c2c1 ZINC001458367829 1063766538 /nfs/dbraw/zinc/76/65/38/1063766538.db2.gz KUPGMQZXXRDSNP-KRWDZBQOSA-N 1 1 392.459 3.515 20 5 GHBDMO CCc1ccc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001458911781 1063959946 /nfs/dbraw/zinc/95/99/46/1063959946.db2.gz GSXTZTQVRDCOIU-LJQANCHMSA-N 1 1 399.516 3.505 20 5 GHBDMO CCc1ccc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001458911781 1063959948 /nfs/dbraw/zinc/95/99/48/1063959948.db2.gz GSXTZTQVRDCOIU-LJQANCHMSA-N 1 1 399.516 3.505 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC001459327929 1064063918 /nfs/dbraw/zinc/06/39/18/1064063918.db2.gz SSXMOIGZSGZJQI-AWEZNQCLSA-N 1 1 391.855 3.976 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC001459327929 1064063931 /nfs/dbraw/zinc/06/39/31/1064063931.db2.gz SSXMOIGZSGZJQI-AWEZNQCLSA-N 1 1 391.855 3.976 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001438579526 1064076771 /nfs/dbraw/zinc/07/67/71/1064076771.db2.gz LJGAHIHZYAOKQF-GOSISDBHSA-N 1 1 386.496 3.696 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3ccc(F)cc3[N+](=O)[O-])cc2)C1 ZINC001464154012 1064867666 /nfs/dbraw/zinc/86/76/66/1064867666.db2.gz LZVPRLAIWXAYMF-MRXNPFEDSA-N 1 1 399.466 3.825 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001465160282 1065427571 /nfs/dbraw/zinc/42/75/71/1065427571.db2.gz SEJLQKKZICZBOC-INIZCTEOSA-N 1 1 376.457 3.522 20 5 GHBDMO C[N@@H+](CCCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC001353550177 1066028405 /nfs/dbraw/zinc/02/84/05/1066028405.db2.gz LVJFYUVIOGZXBP-UHFFFAOYSA-N 1 1 389.883 3.819 20 5 GHBDMO CN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC001200384327 1066056073 /nfs/dbraw/zinc/05/60/73/1066056073.db2.gz VSKJTGXGOFWQHE-QGZVFWFLSA-N 1 1 384.436 3.945 20 5 GHBDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001460084789 1068771180 /nfs/dbraw/zinc/77/11/80/1068771180.db2.gz OEHQGYDAGXLSIZ-OXQOHEQNSA-N 1 1 379.460 3.957 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1COc2ccccc2O1)[C@H]1CC[C@H](O)CC1 ZINC001460303031 1068915283 /nfs/dbraw/zinc/91/52/83/1068915283.db2.gz JEBUOLNQRWMYFW-GUDVDZBRSA-N 1 1 398.459 3.540 20 5 GHBDMO CC[C@H](CO)[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC001460659393 1069064886 /nfs/dbraw/zinc/06/48/86/1069064886.db2.gz HLPWHETZEYUWLG-GOSISDBHSA-N 1 1 385.464 3.505 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3cc[nH]c3c2)c([N+](=O)[O-])c1 ZINC001460671501 1069074983 /nfs/dbraw/zinc/07/49/83/1069074983.db2.gz BQOLMQPVTUASQY-CYBMUJFWSA-N 1 1 382.420 3.544 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3cc[nH]c3c2)c([N+](=O)[O-])c1 ZINC001460671501 1069074989 /nfs/dbraw/zinc/07/49/89/1069074989.db2.gz BQOLMQPVTUASQY-CYBMUJFWSA-N 1 1 382.420 3.544 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001460880415 1069249266 /nfs/dbraw/zinc/24/92/66/1069249266.db2.gz OWBFRCKZIGVDEQ-MRXNPFEDSA-N 1 1 394.475 3.516 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001460880415 1069249276 /nfs/dbraw/zinc/24/92/76/1069249276.db2.gz OWBFRCKZIGVDEQ-MRXNPFEDSA-N 1 1 394.475 3.516 20 5 GHBDMO CCc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc(C)[nH+]1 ZINC001472684801 1073616923 /nfs/dbraw/zinc/61/69/23/1073616923.db2.gz GUPWCRXKPSWDOJ-UHFFFAOYSA-N 1 1 395.385 3.601 20 5 GHBDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001473213285 1073864433 /nfs/dbraw/zinc/86/44/33/1073864433.db2.gz SPVLCPFCRGRYEM-SIKLNZKXSA-N 1 1 384.476 3.679 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC001473451710 1073969808 /nfs/dbraw/zinc/96/98/08/1073969808.db2.gz DEDMKTHFTRTZIT-GOSISDBHSA-N 1 1 375.469 3.927 20 5 GHBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC001473451710 1073969811 /nfs/dbraw/zinc/96/98/11/1073969811.db2.gz DEDMKTHFTRTZIT-GOSISDBHSA-N 1 1 375.469 3.927 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001473526458 1074003050 /nfs/dbraw/zinc/00/30/50/1074003050.db2.gz GIHVIYZPVNYDDS-HOCLYGCPSA-N 1 1 393.484 3.586 20 5 GHBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001473529301 1074003703 /nfs/dbraw/zinc/00/37/03/1074003703.db2.gz XXKODXYYSCEFMQ-KRWDZBQOSA-N 1 1 399.285 3.911 20 5 GHBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001473529301 1074003719 /nfs/dbraw/zinc/00/37/19/1074003719.db2.gz XXKODXYYSCEFMQ-KRWDZBQOSA-N 1 1 399.285 3.911 20 5 GHBDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001473575965 1074025217 /nfs/dbraw/zinc/02/52/17/1074025217.db2.gz NPIQSGYQTPUMHL-NQIIRXRSSA-N 1 1 388.439 3.571 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC001473596975 1074039563 /nfs/dbraw/zinc/03/95/63/1074039563.db2.gz FFHWXCUAUXZIDH-MRXNPFEDSA-N 1 1 375.469 3.655 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001473774411 1074135372 /nfs/dbraw/zinc/13/53/72/1074135372.db2.gz YCWXWESRJGIPTE-SFHVURJKSA-N 1 1 387.411 3.524 20 5 GHBDMO O=c1[nH]c2c(cc1C[NH2+]Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CCCC2 ZINC001474241872 1074306903 /nfs/dbraw/zinc/30/69/03/1074306903.db2.gz FDEPMFSSTFPUMU-UHFFFAOYSA-N 1 1 396.472 3.988 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001474374788 1074371185 /nfs/dbraw/zinc/37/11/85/1074371185.db2.gz DGAHKGJPSNNASQ-PBHICJAKSA-N 1 1 377.485 3.947 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721773 720375502 /nfs/dbraw/zinc/37/55/02/720375502.db2.gz AYQRNGKMTDIZGS-ZIAGYGMSSA-N 1 1 394.262 3.545 20 5 GHBDMO Cc1cc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164861452 720946563 /nfs/dbraw/zinc/94/65/63/720946563.db2.gz SNNCHUUFBDNABD-CYBMUJFWSA-N 1 1 392.891 3.570 20 5 GHBDMO CSc1cccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000471387277 837468429 /nfs/dbraw/zinc/46/84/29/837468429.db2.gz CKDKTVJPIROPKX-CALCHBBNSA-N 1 1 397.500 3.521 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000511509941 837681769 /nfs/dbraw/zinc/68/17/69/837681769.db2.gz TVSGLHZGGZXOCJ-UHFFFAOYSA-N 1 1 377.391 3.909 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000511509941 837681775 /nfs/dbraw/zinc/68/17/75/837681775.db2.gz TVSGLHZGGZXOCJ-UHFFFAOYSA-N 1 1 377.391 3.909 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000431801677 837695607 /nfs/dbraw/zinc/69/56/07/837695607.db2.gz SPIUNNSOVVCOGG-APWZRJJASA-N 1 1 396.491 3.965 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000175268670 834414478 /nfs/dbraw/zinc/41/44/78/834414478.db2.gz UAYWLCHCMVJKIJ-SFHVURJKSA-N 1 1 397.475 3.588 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000175270052 834414618 /nfs/dbraw/zinc/41/46/18/834414618.db2.gz XOIVVSMIYZOYMT-FQEVSTJZSA-N 1 1 381.476 3.508 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000584442709 834623362 /nfs/dbraw/zinc/62/33/62/834623362.db2.gz DIYNJRKBKKQIJQ-SJLPKXTDSA-N 1 1 397.475 3.885 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1)Nc1ccccc1[N+](=O)[O-] ZINC000128213193 834673749 /nfs/dbraw/zinc/67/37/49/834673749.db2.gz FNDDJLPIBDJHTR-AWEZNQCLSA-N 1 1 389.839 3.730 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610209013 835101962 /nfs/dbraw/zinc/10/19/62/835101962.db2.gz OBSYJLVDGVMYAS-HOCLYGCPSA-N 1 1 379.526 3.946 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000583896293 835203871 /nfs/dbraw/zinc/20/38/71/835203871.db2.gz SGNQDDKKBXCWEY-SJLPKXTDSA-N 1 1 382.464 3.996 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000583896291 835204023 /nfs/dbraw/zinc/20/40/23/835204023.db2.gz SGNQDDKKBXCWEY-AEFFLSMTSA-N 1 1 382.464 3.996 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000157620490 835277519 /nfs/dbraw/zinc/27/75/19/835277519.db2.gz GUTWFVAAXRBKSQ-HNNXBMFYSA-N 1 1 399.495 3.588 20 5 GHBDMO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000157620490 835277528 /nfs/dbraw/zinc/27/75/28/835277528.db2.gz GUTWFVAAXRBKSQ-HNNXBMFYSA-N 1 1 399.495 3.588 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000157620490 835277536 /nfs/dbraw/zinc/27/75/36/835277536.db2.gz GUTWFVAAXRBKSQ-HNNXBMFYSA-N 1 1 399.495 3.588 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000510118837 835402023 /nfs/dbraw/zinc/40/20/23/835402023.db2.gz MDDIUCNDPRVBHE-NVXWUHKLSA-N 1 1 385.439 3.764 20 5 GHBDMO CC(C)[N@H+](CC(N)=O)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000179656650 835934608 /nfs/dbraw/zinc/93/46/08/835934608.db2.gz QACQQKAQBZYOQH-UHFFFAOYSA-N 1 1 377.828 3.736 20 5 GHBDMO CC(C)[N@@H+](CC(N)=O)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000179656650 835934612 /nfs/dbraw/zinc/93/46/12/835934612.db2.gz QACQQKAQBZYOQH-UHFFFAOYSA-N 1 1 377.828 3.736 20 5 GHBDMO COc1ccc(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510145195 835946189 /nfs/dbraw/zinc/94/61/89/835946189.db2.gz JARUAIGZQOSRNU-FUHWJXTLSA-N 1 1 397.475 3.634 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](Nc4ccccc4)C3)o2)cc1 ZINC000154842289 836063868 /nfs/dbraw/zinc/06/38/68/836063868.db2.gz CATHVCLWLOEYBC-QGZVFWFLSA-N 1 1 379.420 3.721 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](Nc4ccccc4)C3)o2)cc1 ZINC000154842289 836063875 /nfs/dbraw/zinc/06/38/75/836063875.db2.gz CATHVCLWLOEYBC-QGZVFWFLSA-N 1 1 379.420 3.721 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000614937115 836087997 /nfs/dbraw/zinc/08/79/97/836087997.db2.gz LHEMLXCDDCDEJX-UHFFFAOYSA-N 1 1 398.463 3.652 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000411213291 836107887 /nfs/dbraw/zinc/10/78/87/836107887.db2.gz CHLCVELDCDHDCQ-GOSISDBHSA-N 1 1 399.447 3.778 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+]([C@@H]4C[C@@H]4c4ccccc4)CC3)nc2c1 ZINC000411531383 836213826 /nfs/dbraw/zinc/21/38/26/836213826.db2.gz WXYQRTXXAIZOMP-YLJYHZDGSA-N 1 1 377.448 3.539 20 5 GHBDMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612482557 836294323 /nfs/dbraw/zinc/29/43/23/836294323.db2.gz FJXQFZNJEPAONU-FUHWJXTLSA-N 1 1 399.466 3.866 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000411941740 836442268 /nfs/dbraw/zinc/44/22/68/836442268.db2.gz LVCZTTDVDUWZIJ-CABCVRRESA-N 1 1 394.374 3.513 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000411941740 836442275 /nfs/dbraw/zinc/44/22/75/836442275.db2.gz LVCZTTDVDUWZIJ-CABCVRRESA-N 1 1 394.374 3.513 20 5 GHBDMO COc1cc(C[N@@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180172827 836466150 /nfs/dbraw/zinc/46/61/50/836466150.db2.gz HOGJHXPRORZCLL-UHFFFAOYSA-N 1 1 376.425 3.575 20 5 GHBDMO COc1cc(C[N@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180172827 836466152 /nfs/dbraw/zinc/46/61/52/836466152.db2.gz HOGJHXPRORZCLL-UHFFFAOYSA-N 1 1 376.425 3.575 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000612611400 836492450 /nfs/dbraw/zinc/49/24/50/836492450.db2.gz ZZZOXEJYHISZDJ-UHFFFAOYSA-N 1 1 378.448 3.854 20 5 GHBDMO CSc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000174924284 836598856 /nfs/dbraw/zinc/59/88/56/836598856.db2.gz UUBGJOODDOIXMH-QGZVFWFLSA-N 1 1 399.516 3.911 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000247057865 836672927 /nfs/dbraw/zinc/67/29/27/836672927.db2.gz NXMDXBGJGYPZBQ-UZLBHIALSA-N 1 1 383.448 3.551 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510191746 836702061 /nfs/dbraw/zinc/70/20/61/836702061.db2.gz JAUUPZCNPTYSQT-PKOBYXMFSA-N 1 1 381.476 3.934 20 5 GHBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000175306489 836759538 /nfs/dbraw/zinc/75/95/38/836759538.db2.gz DLFDOWDORUWYND-LBPRGKRZSA-N 1 1 386.399 3.534 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000247123330 836883219 /nfs/dbraw/zinc/88/32/19/836883219.db2.gz YZLMUBNCJPWFHO-ZWKOTPCHSA-N 1 1 388.512 3.510 20 5 GHBDMO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000414330211 837164361 /nfs/dbraw/zinc/16/43/61/837164361.db2.gz BHDVBCKBMHXDRB-YYWHXJBOSA-N 1 1 392.459 3.820 20 5 GHBDMO C[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC000175779316 837852679 /nfs/dbraw/zinc/85/26/79/837852679.db2.gz WKPDYPBEYJDQGW-CRAIPNDOSA-N 1 1 394.475 3.945 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000549323431 837899906 /nfs/dbraw/zinc/89/99/06/837899906.db2.gz FLPOFFCYGFWBLV-GOSISDBHSA-N 1 1 391.855 3.680 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000610281883 837908069 /nfs/dbraw/zinc/90/80/69/837908069.db2.gz UEBJBMRNJFEUMP-MRXNPFEDSA-N 1 1 377.391 3.907 20 5 GHBDMO Cc1cc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000101531518 837959233 /nfs/dbraw/zinc/95/92/33/837959233.db2.gz UJBQSPOHYXLVSM-UHFFFAOYSA-N 1 1 381.476 3.684 20 5 GHBDMO C[C@H](C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000579054049 838286534 /nfs/dbraw/zinc/28/65/34/838286534.db2.gz XBKZJQOXANVDDU-HTAPYJJXSA-N 1 1 381.476 3.869 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531767 838362838 /nfs/dbraw/zinc/36/28/38/838362838.db2.gz LQFPDNIWBHPQCX-XLIONFOSSA-N 1 1 385.512 3.519 20 5 GHBDMO CC[C@](C)(O)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000189736752 838392220 /nfs/dbraw/zinc/39/22/20/838392220.db2.gz DUSDVWJAJGFPGU-NRFANRHFSA-N 1 1 396.447 3.808 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000189736752 838392223 /nfs/dbraw/zinc/39/22/23/838392223.db2.gz DUSDVWJAJGFPGU-NRFANRHFSA-N 1 1 396.447 3.808 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000610317446 838393229 /nfs/dbraw/zinc/39/32/29/838393229.db2.gz KEIPIWGGZTULKF-INIZCTEOSA-N 1 1 388.855 3.986 20 5 GHBDMO COc1ccc(OCCN2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000610367521 838726148 /nfs/dbraw/zinc/72/61/48/838726148.db2.gz PTJNDPUVAHXSAX-UHFFFAOYSA-N 1 1 391.512 3.570 20 5 GHBDMO COc1cc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414863177 838909307 /nfs/dbraw/zinc/90/93/07/838909307.db2.gz YARZWPQITSNRTJ-LPHOPBHVSA-N 1 1 399.491 3.660 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000541389168 838977525 /nfs/dbraw/zinc/97/75/25/838977525.db2.gz OLSCJXSKYSINNS-MRXNPFEDSA-N 1 1 383.448 3.648 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000541389168 838977533 /nfs/dbraw/zinc/97/75/33/838977533.db2.gz OLSCJXSKYSINNS-MRXNPFEDSA-N 1 1 383.448 3.648 20 5 GHBDMO C[N@H+](CC(C)(C)O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000177730879 839016881 /nfs/dbraw/zinc/01/68/81/839016881.db2.gz NAAIAWAOCPYQKM-KRWDZBQOSA-N 1 1 391.855 3.631 20 5 GHBDMO C[N@@H+](CC(C)(C)O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000177730879 839016890 /nfs/dbraw/zinc/01/68/90/839016890.db2.gz NAAIAWAOCPYQKM-KRWDZBQOSA-N 1 1 391.855 3.631 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000549431351 839056314 /nfs/dbraw/zinc/05/63/14/839056314.db2.gz WLCMEGAMMFCXOE-MRXNPFEDSA-N 1 1 375.469 3.520 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[N@H+]1C ZINC000275822234 839244041 /nfs/dbraw/zinc/24/40/41/839244041.db2.gz SJSOTFFGIRRAES-WFASDCNBSA-N 1 1 399.441 3.927 20 5 GHBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000379838819 839549797 /nfs/dbraw/zinc/54/97/97/839549797.db2.gz ZVIXHBBPTSRGGI-AWEZNQCLSA-N 1 1 391.269 3.686 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000610446077 839711531 /nfs/dbraw/zinc/71/15/31/839711531.db2.gz PCLDGSZIGXXUMX-INIZCTEOSA-N 1 1 392.459 3.813 20 5 GHBDMO COc1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000119732108 839964222 /nfs/dbraw/zinc/96/42/22/839964222.db2.gz CPXSFPXMJTWIPZ-UHFFFAOYSA-N 1 1 396.447 3.548 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000119732108 839964233 /nfs/dbraw/zinc/96/42/33/839964233.db2.gz CPXSFPXMJTWIPZ-UHFFFAOYSA-N 1 1 396.447 3.548 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[N@@H+](CCCc3ccccc3)CC2)s1 ZINC000561187446 840282548 /nfs/dbraw/zinc/28/25/48/840282548.db2.gz XISQJWXKSSFYIA-UHFFFAOYSA-N 1 1 397.504 3.744 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cccc(Br)c2OC)cc1[N+](=O)[O-] ZINC000548150174 840542960 /nfs/dbraw/zinc/54/29/60/840542960.db2.gz DAFGMGYRBCNEDT-UHFFFAOYSA-N 1 1 381.226 3.664 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048312453 840936995 /nfs/dbraw/zinc/93/69/95/840936995.db2.gz MMENTBXNYJEKQC-KRWDZBQOSA-N 1 1 382.420 3.626 20 5 GHBDMO COc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000160828044 840939134 /nfs/dbraw/zinc/93/91/34/840939134.db2.gz FWFXASLXEYNWJX-UHFFFAOYSA-N 1 1 396.447 3.645 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000160828044 840939141 /nfs/dbraw/zinc/93/91/41/840939141.db2.gz FWFXASLXEYNWJX-UHFFFAOYSA-N 1 1 396.447 3.645 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511856634 840967243 /nfs/dbraw/zinc/96/72/43/840967243.db2.gz YUDWKBTXDTVHRM-NLWGTHIKSA-N 1 1 395.459 3.810 20 5 GHBDMO CN(C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000511856478 840970405 /nfs/dbraw/zinc/97/04/05/840970405.db2.gz XNPDSDQTHHGLHC-PWRODBHTSA-N 1 1 379.460 3.826 20 5 GHBDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000106878800 841128379 /nfs/dbraw/zinc/12/83/79/841128379.db2.gz WCMNEXAPTPKIGD-CYBMUJFWSA-N 1 1 376.482 3.998 20 5 GHBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473513151 844616348 /nfs/dbraw/zinc/61/63/48/844616348.db2.gz CEIBHGBOJJGNKQ-JOCHJYFZSA-N 1 1 397.450 3.862 20 5 GHBDMO COc1cc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000600190088 861192885 /nfs/dbraw/zinc/19/28/85/861192885.db2.gz SEGGYXHOAPTZFB-UHFFFAOYSA-N 1 1 390.411 3.795 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000302078135 861196953 /nfs/dbraw/zinc/19/69/53/861196953.db2.gz XADNYBMPYJVPCM-ZIAGYGMSSA-N 1 1 397.317 3.843 20 5 GHBDMO O=C(CC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000610614388 841423600 /nfs/dbraw/zinc/42/36/00/841423600.db2.gz QKWFPAJYYCONEL-AOOOYVTPSA-N 1 1 399.291 3.596 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000548180221 841507918 /nfs/dbraw/zinc/50/79/18/841507918.db2.gz SONGOWWKUMWSJE-UHFFFAOYSA-N 1 1 399.882 3.832 20 5 GHBDMO COc1ccc(C)cc1C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000603843046 861259994 /nfs/dbraw/zinc/25/99/94/861259994.db2.gz SGLLKNDOMODPRD-UHFFFAOYSA-N 1 1 392.459 3.782 20 5 GHBDMO Cc1c(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000047715216 842027660 /nfs/dbraw/zinc/02/76/60/842027660.db2.gz UEGKDEVHFMNGGP-UHFFFAOYSA-N 1 1 389.402 3.576 20 5 GHBDMO O=[N+]([O-])c1ncccc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000603845382 861264277 /nfs/dbraw/zinc/26/42/77/861264277.db2.gz QVJLTWIWNXMKHW-UHFFFAOYSA-N 1 1 380.370 3.721 20 5 GHBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430647365 842086151 /nfs/dbraw/zinc/08/61/51/842086151.db2.gz FQBKTQYIEIZAQL-OXJNMPFZSA-N 1 1 381.476 3.940 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)s1 ZINC000600208925 861282853 /nfs/dbraw/zinc/28/28/53/861282853.db2.gz RVOYROPXOTYZEX-XESHVACXSA-N 1 1 376.503 3.809 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C2)cc1F ZINC000600215002 861292165 /nfs/dbraw/zinc/29/21/65/861292165.db2.gz XODDMYUHDFYKRD-AWEZNQCLSA-N 1 1 390.411 3.749 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000512108741 842518680 /nfs/dbraw/zinc/51/86/80/842518680.db2.gz HSSXYEPXOZGTOP-AWEZNQCLSA-N 1 1 377.510 3.867 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC2(CCCCC2)C1 ZINC000175969911 842531300 /nfs/dbraw/zinc/53/13/00/842531300.db2.gz PKVFNKJIPIWLPA-UHFFFAOYSA-N 1 1 393.509 3.684 20 5 GHBDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610944711 842636128 /nfs/dbraw/zinc/63/61/28/842636128.db2.gz MTBJBADDBGTTEV-IBGZPJMESA-N 1 1 383.448 3.793 20 5 GHBDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610944711 842636130 /nfs/dbraw/zinc/63/61/30/842636130.db2.gz MTBJBADDBGTTEV-IBGZPJMESA-N 1 1 383.448 3.793 20 5 GHBDMO C[N@@H+](CCCCO)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000471819939 842701440 /nfs/dbraw/zinc/70/14/40/842701440.db2.gz KLUBLDDPGUYTDA-UHFFFAOYSA-N 1 1 380.448 3.652 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000600228970 861350687 /nfs/dbraw/zinc/35/06/87/861350687.db2.gz ILPKQJRHNNMQRM-AWEZNQCLSA-N 1 1 385.386 3.750 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566320 843116311 /nfs/dbraw/zinc/11/63/11/843116311.db2.gz ARSKFARMCFYJPH-FUHWJXTLSA-N 1 1 390.411 3.800 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000500439534 843148269 /nfs/dbraw/zinc/14/82/69/843148269.db2.gz UNCPXYCTNGBJGP-JLTOFOAXSA-N 1 1 386.427 3.623 20 5 GHBDMO COCCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512267438 843276978 /nfs/dbraw/zinc/27/69/78/843276978.db2.gz GFBLGSHSIQDLII-UHFFFAOYSA-N 1 1 380.448 3.916 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431016866 843421664 /nfs/dbraw/zinc/42/16/64/843421664.db2.gz YLJHQZCJCOKZCS-CQSZACIVSA-N 1 1 398.301 3.742 20 5 GHBDMO C[N@@H+](CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000065115861 843799750 /nfs/dbraw/zinc/79/97/50/843799750.db2.gz ATJIWHBUPGQRBA-UHFFFAOYSA-N 1 1 396.472 3.580 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](c3ccc(OC)c(F)c3)C2)c1 ZINC000599675817 861474108 /nfs/dbraw/zinc/47/41/08/861474108.db2.gz PNZCYHQIQYWCFX-HNNXBMFYSA-N 1 1 388.395 3.519 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](c3nccn3C)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000512898326 843948974 /nfs/dbraw/zinc/94/89/74/843948974.db2.gz AEJIJITWOGBYHE-LJQANCHMSA-N 1 1 382.420 3.838 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1F ZINC000599678148 861475808 /nfs/dbraw/zinc/47/58/08/861475808.db2.gz JAYDDSXCMSGXEV-OAHLLOKOSA-N 1 1 387.411 3.561 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000128882373 844837226 /nfs/dbraw/zinc/83/72/26/844837226.db2.gz ZFBQZCHTYKIPJL-SJORKVTESA-N 1 1 376.501 3.631 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000128882115 844850758 /nfs/dbraw/zinc/85/07/58/844850758.db2.gz SUKHAZNEXZRBLU-WDYCEAGBSA-N 1 1 386.496 3.623 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000512658146 844927927 /nfs/dbraw/zinc/92/79/27/844927927.db2.gz OGSIEPSHAKFJIZ-QGZVFWFLSA-N 1 1 386.448 3.828 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433078354 845204762 /nfs/dbraw/zinc/20/47/62/845204762.db2.gz RPQSBRNIFIAGDI-KRWDZBQOSA-N 1 1 381.432 3.772 20 5 GHBDMO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000513381474 845314252 /nfs/dbraw/zinc/31/42/52/845314252.db2.gz RJEIMQYISWQMBT-OAHLLOKOSA-N 1 1 383.404 3.788 20 5 GHBDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000513381474 845314265 /nfs/dbraw/zinc/31/42/65/845314265.db2.gz RJEIMQYISWQMBT-OAHLLOKOSA-N 1 1 383.404 3.788 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC ZINC000513386133 845361088 /nfs/dbraw/zinc/36/10/88/845361088.db2.gz GQZIQSJMUJKHBH-HNNXBMFYSA-N 1 1 386.404 3.678 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC ZINC000513386133 845361099 /nfs/dbraw/zinc/36/10/99/845361099.db2.gz GQZIQSJMUJKHBH-HNNXBMFYSA-N 1 1 386.404 3.678 20 5 GHBDMO C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182922657 845595648 /nfs/dbraw/zinc/59/56/48/845595648.db2.gz HKNDROCWGDHEAL-HOTGVXAUSA-N 1 1 388.512 3.782 20 5 GHBDMO C[C@H](C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000182929761 845647599 /nfs/dbraw/zinc/64/75/99/845647599.db2.gz UGIJRSXCHYSMEV-WMLDXEAASA-N 1 1 383.423 3.849 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cncs1 ZINC000934193246 845734025 /nfs/dbraw/zinc/73/40/25/845734025.db2.gz FOOKWLROWWKAMK-MRVPVSSYSA-N 1 1 389.218 3.507 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000582015320 845801679 /nfs/dbraw/zinc/80/16/79/845801679.db2.gz LMJQLUUZPMBUNH-JXFKEZNVSA-N 1 1 397.475 3.634 20 5 GHBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000421380432 846190472 /nfs/dbraw/zinc/19/04/72/846190472.db2.gz JNQJLKKCQHWRBC-AWEZNQCLSA-N 1 1 389.839 3.608 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000513662567 846228497 /nfs/dbraw/zinc/22/84/97/846228497.db2.gz XHKQDDGWWRKUJK-FQEVSTJZSA-N 1 1 375.432 3.731 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072738 846291233 /nfs/dbraw/zinc/29/12/33/846291233.db2.gz MEMGNGSCDAPWHP-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501027450 846562485 /nfs/dbraw/zinc/56/24/85/846562485.db2.gz WJYGOKBSTNZOJW-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501027450 846562491 /nfs/dbraw/zinc/56/24/91/846562491.db2.gz WJYGOKBSTNZOJW-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cn2cc[nH+]c12 ZINC000502965055 846669256 /nfs/dbraw/zinc/66/92/56/846669256.db2.gz AERLKDJAGIXICO-UHFFFAOYSA-N 1 1 382.423 3.750 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000513708776 846732015 /nfs/dbraw/zinc/73/20/15/846732015.db2.gz XFQBWEVWDXLUQW-IBGZPJMESA-N 1 1 397.504 3.585 20 5 GHBDMO CC[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000501381685 846892953 /nfs/dbraw/zinc/89/29/53/846892953.db2.gz KZZDPXLADNHTMM-LJQANCHMSA-N 1 1 382.464 3.862 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000501616975 847060225 /nfs/dbraw/zinc/06/02/25/847060225.db2.gz LKMPUOQEPJBJJO-HOTGVXAUSA-N 1 1 392.459 3.811 20 5 GHBDMO COc1ccc([C@H](NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000511126651 847256579 /nfs/dbraw/zinc/25/65/79/847256579.db2.gz ZZACFICVGNKXFB-JOCHJYFZSA-N 1 1 399.491 3.591 20 5 GHBDMO COc1ccc([C@H](NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000511126651 847256586 /nfs/dbraw/zinc/25/65/86/847256586.db2.gz ZZACFICVGNKXFB-JOCHJYFZSA-N 1 1 399.491 3.591 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050034663 847344618 /nfs/dbraw/zinc/34/46/18/847344618.db2.gz PQXZSJVMASGNJM-HNNXBMFYSA-N 1 1 388.493 3.998 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000420943062 847586791 /nfs/dbraw/zinc/58/67/91/847586791.db2.gz WHAOJNHGNGITPE-UHFFFAOYSA-N 1 1 381.476 3.592 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000420943062 847586800 /nfs/dbraw/zinc/58/68/00/847586800.db2.gz WHAOJNHGNGITPE-UHFFFAOYSA-N 1 1 381.476 3.592 20 5 GHBDMO CC[N@@H+](CCc1nccs1)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000159354310 847654142 /nfs/dbraw/zinc/65/41/42/847654142.db2.gz ZBTKZUGOTZDCHV-UHFFFAOYSA-N 1 1 387.408 3.726 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@H]3OCc3ccccc3)o2)cc1 ZINC000503515906 847763020 /nfs/dbraw/zinc/76/30/20/847763020.db2.gz IXLMHORPBNCIMM-RTBURBONSA-N 1 1 394.431 3.872 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000050628981 847942928 /nfs/dbraw/zinc/94/29/28/847942928.db2.gz WZNTYJWQNOGQLY-CQSZACIVSA-N 1 1 388.493 3.569 20 5 GHBDMO COc1cc(C[N@H+]2CCC23CCOCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000375729626 848040388 /nfs/dbraw/zinc/04/03/88/848040388.db2.gz GBFPFRRBRZUAGL-UHFFFAOYSA-N 1 1 398.459 3.937 20 5 GHBDMO COc1ccc(CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)cc1 ZINC000472243646 848052465 /nfs/dbraw/zinc/05/24/65/848052465.db2.gz VSGYTEDGQLVDTO-UHFFFAOYSA-N 1 1 380.448 3.545 20 5 GHBDMO Cc1c(CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480071672 848064861 /nfs/dbraw/zinc/06/48/61/848064861.db2.gz WNRQLLPIJJFILL-FQEVSTJZSA-N 1 1 396.491 3.709 20 5 GHBDMO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604127370 861862233 /nfs/dbraw/zinc/86/22/33/861862233.db2.gz VESZZPIQLCWDFI-APWZRJJASA-N 1 1 382.464 3.620 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000611560690 848149051 /nfs/dbraw/zinc/14/90/51/848149051.db2.gz VKNLVGZDHYTKPE-BHIYHBOVSA-N 1 1 386.496 3.849 20 5 GHBDMO C[N@@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000611712866 848264320 /nfs/dbraw/zinc/26/43/20/848264320.db2.gz RMZDPXJOAUFOHS-ROUUACIJSA-N 1 1 385.374 3.674 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000611712866 848264322 /nfs/dbraw/zinc/26/43/22/848264322.db2.gz RMZDPXJOAUFOHS-ROUUACIJSA-N 1 1 385.374 3.674 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000611825151 848271047 /nfs/dbraw/zinc/27/10/47/848271047.db2.gz OMLWJDNYDXYSFT-UHFFFAOYSA-N 1 1 390.484 3.723 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000612131828 848495734 /nfs/dbraw/zinc/49/57/34/848495734.db2.gz FMRCWEBARIVXMV-CEWLAPEOSA-N 1 1 379.460 3.625 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132223719 861972570 /nfs/dbraw/zinc/97/25/70/861972570.db2.gz BDOCQIIBXKXLPB-QUCCMNQESA-N 1 1 379.460 3.722 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC[C@H]21 ZINC000248202521 849518991 /nfs/dbraw/zinc/51/89/91/849518991.db2.gz ZDSSRGOCOKFBRT-OXJNMPFZSA-N 1 1 395.459 3.943 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000583369192 849729738 /nfs/dbraw/zinc/72/97/38/849729738.db2.gz CFXRKGHUVWBVIQ-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434907290 849889133 /nfs/dbraw/zinc/88/91/33/849889133.db2.gz WRYIJTVQRJQFTQ-RVKKMQEKSA-N 1 1 383.448 3.808 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000486828519 850150170 /nfs/dbraw/zinc/15/01/70/850150170.db2.gz SVTYYAPFNUUMRP-HNNXBMFYSA-N 1 1 397.500 3.960 20 5 GHBDMO C[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1Cc1ccccc1 ZINC000486955681 850292718 /nfs/dbraw/zinc/29/27/18/850292718.db2.gz MDCZIALKXLPNEX-MRXNPFEDSA-N 1 1 393.447 3.746 20 5 GHBDMO CC1=CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000506656050 850296011 /nfs/dbraw/zinc/29/60/11/850296011.db2.gz WTUGGLKGIARSKQ-UHFFFAOYSA-N 1 1 377.510 3.725 20 5 GHBDMO Cn1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425377227 850506787 /nfs/dbraw/zinc/50/67/87/850506787.db2.gz ZELZVCIAQXOFPH-OAQYLSRUSA-N 1 1 396.491 3.776 20 5 GHBDMO CSc1ccc(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487292920 850639916 /nfs/dbraw/zinc/63/99/16/850639916.db2.gz ATLNLOXSHMSRCN-CRAIPNDOSA-N 1 1 399.516 3.957 20 5 GHBDMO C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000425017639 850868810 /nfs/dbraw/zinc/86/88/10/850868810.db2.gz ZJWZSXAYRPMVFV-HZUJVAHNSA-N 1 1 397.450 3.570 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000513815969 850908310 /nfs/dbraw/zinc/90/83/10/850908310.db2.gz FNVFBTVREIQSRB-QGZVFWFLSA-N 1 1 399.516 3.733 20 5 GHBDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000515422382 851004666 /nfs/dbraw/zinc/00/46/66/851004666.db2.gz UKFBJBFFDVNRTM-CALCHBBNSA-N 1 1 390.528 3.537 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000436041060 851137818 /nfs/dbraw/zinc/13/78/18/851137818.db2.gz OTYHYHVVOXEODZ-SFHVURJKSA-N 1 1 397.475 3.730 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000436041060 851137823 /nfs/dbraw/zinc/13/78/23/851137823.db2.gz OTYHYHVVOXEODZ-SFHVURJKSA-N 1 1 397.475 3.730 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000425461715 851186410 /nfs/dbraw/zinc/18/64/10/851186410.db2.gz SEHVVAGQXFDKOW-QVQLBTGDSA-N 1 1 397.294 3.946 20 5 GHBDMO C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+]1CCCC[C@@H]1C ZINC000436102072 851199837 /nfs/dbraw/zinc/19/98/37/851199837.db2.gz PUOFUNAMUJQIMW-HOTGVXAUSA-N 1 1 377.488 3.674 20 5 GHBDMO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434611760 851343943 /nfs/dbraw/zinc/34/39/43/851343943.db2.gz KOECCKDPJBDLDB-IBGZPJMESA-N 1 1 394.468 3.837 20 5 GHBDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434611760 851343949 /nfs/dbraw/zinc/34/39/49/851343949.db2.gz KOECCKDPJBDLDB-IBGZPJMESA-N 1 1 394.468 3.837 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000175172314 851761345 /nfs/dbraw/zinc/76/13/45/851761345.db2.gz IWESIZIXPCLFMX-UHFFFAOYSA-N 1 1 385.464 3.717 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000175172314 851761355 /nfs/dbraw/zinc/76/13/55/851761355.db2.gz IWESIZIXPCLFMX-UHFFFAOYSA-N 1 1 385.464 3.717 20 5 GHBDMO Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000473771328 851916549 /nfs/dbraw/zinc/91/65/49/851916549.db2.gz YOKKTWIEIPCYCO-OAHLLOKOSA-N 1 1 388.493 3.998 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@H+]1C ZINC000489310745 852209906 /nfs/dbraw/zinc/20/99/06/852209906.db2.gz DHYNYQNXOULNPS-OAQYLSRUSA-N 1 1 396.491 3.619 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](COc4ccccc4)C3)n2)cc1 ZINC000505885911 852390091 /nfs/dbraw/zinc/39/00/91/852390091.db2.gz XBVYMROZRSSFSY-HNNXBMFYSA-N 1 1 380.404 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](COc4ccccc4)C3)n2)cc1 ZINC000505885911 852390096 /nfs/dbraw/zinc/39/00/96/852390096.db2.gz XBVYMROZRSSFSY-HNNXBMFYSA-N 1 1 380.404 3.546 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000150801469 852406861 /nfs/dbraw/zinc/40/68/61/852406861.db2.gz DSWAUKKMLOHEIZ-JKSUJKDBSA-N 1 1 393.484 3.599 20 5 GHBDMO Cc1ccc2cc([C@@H](C)[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)oc2c1 ZINC000426017284 852451010 /nfs/dbraw/zinc/45/10/10/852451010.db2.gz LSNQSEAQDTTWFY-CQSZACIVSA-N 1 1 388.445 3.774 20 5 GHBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@@H]2C1 ZINC000425647718 852474492 /nfs/dbraw/zinc/47/44/92/852474492.db2.gz FITZHJCNINTCFN-MGPUTAFESA-N 1 1 396.447 3.945 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000505924748 852615520 /nfs/dbraw/zinc/61/55/20/852615520.db2.gz KHOWRJNRWQUKGV-QZTJIDSGSA-N 1 1 398.507 3.663 20 5 GHBDMO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000489865561 852615978 /nfs/dbraw/zinc/61/59/78/852615978.db2.gz XFGJTPOBPLRIRL-LPHOPBHVSA-N 1 1 382.464 3.935 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000505934847 852620386 /nfs/dbraw/zinc/62/03/86/852620386.db2.gz FBJJKKFUYPXQCV-HOTGVXAUSA-N 1 1 384.480 3.803 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000489886489 852624572 /nfs/dbraw/zinc/62/45/72/852624572.db2.gz MTOWLEBMUTUXCB-KRWDZBQOSA-N 1 1 396.491 3.712 20 5 GHBDMO C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000490003623 852700034 /nfs/dbraw/zinc/70/00/34/852700034.db2.gz NFRWTKKOVCXDMA-HZPDHXFCSA-N 1 1 388.512 3.782 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCc1cccc2ccccc21 ZINC000507320240 852788628 /nfs/dbraw/zinc/78/86/28/852788628.db2.gz QWJRLLAHQLGUIC-UHFFFAOYSA-N 1 1 393.443 3.870 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC=C(COC)CC2)cc1OC ZINC000481860183 862412300 /nfs/dbraw/zinc/41/23/00/862412300.db2.gz QHMOMVJYHBVXSN-OAHLLOKOSA-N 1 1 378.469 3.807 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC=C(COC)CC2)cc1OC ZINC000481860183 862412310 /nfs/dbraw/zinc/41/23/10/862412310.db2.gz QHMOMVJYHBVXSN-OAHLLOKOSA-N 1 1 378.469 3.807 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426201693 853006535 /nfs/dbraw/zinc/00/65/35/853006535.db2.gz QDXKVLHYQSVFIB-NRSPTQNISA-N 1 1 397.475 3.818 20 5 GHBDMO Cc1ccc([C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[NH+]2CCCC2)o1 ZINC000506463846 853196929 /nfs/dbraw/zinc/19/69/29/853196929.db2.gz OUHMIWFWPDLAAI-INIZCTEOSA-N 1 1 383.404 3.809 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000163961222 853636626 /nfs/dbraw/zinc/63/66/26/853636626.db2.gz UWDXEAGOPRZLDG-MAUKXSAKSA-N 1 1 382.464 3.854 20 5 GHBDMO CCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000129555193 853636672 /nfs/dbraw/zinc/63/66/72/853636672.db2.gz ZMDKYMSRAKYBCA-HNNXBMFYSA-N 1 1 389.402 3.610 20 5 GHBDMO CSCCC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000439499315 853725448 /nfs/dbraw/zinc/72/54/48/853725448.db2.gz ZPIXBDKSWKVTNO-LBPRGKRZSA-N 1 1 394.522 3.730 20 5 GHBDMO O=C([C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1)N1CCCC1 ZINC000571365593 853878127 /nfs/dbraw/zinc/87/81/27/853878127.db2.gz PNQSXNZUOMKPGE-OAHLLOKOSA-N 1 1 385.489 3.768 20 5 GHBDMO O=C([C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1)N1CCCC1 ZINC000571365592 853878387 /nfs/dbraw/zinc/87/83/87/853878387.db2.gz PNQSXNZUOMKPGE-HNNXBMFYSA-N 1 1 385.489 3.768 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000571611964 853959796 /nfs/dbraw/zinc/95/97/96/853959796.db2.gz GIVJOTXLSNOQRV-ABSDTBQOSA-N 1 1 381.476 3.868 20 5 GHBDMO CCOC(=O)c1ccnc(NCc2ccccc2C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000133385097 862531214 /nfs/dbraw/zinc/53/12/14/862531214.db2.gz RTRWBVZUIJNYQP-UHFFFAOYSA-N 1 1 386.452 3.619 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2c1 ZINC000588072476 854094769 /nfs/dbraw/zinc/09/47/69/854094769.db2.gz JROPEUKNQRLGEZ-QFIPXVFZSA-N 1 1 389.459 3.640 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000441367332 854150144 /nfs/dbraw/zinc/15/01/44/854150144.db2.gz HGFJWALLSORFTN-IBGZPJMESA-N 1 1 385.464 3.885 20 5 GHBDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000184472357 854365320 /nfs/dbraw/zinc/36/53/20/854365320.db2.gz TUXVQYAJONALIS-HNNXBMFYSA-N 1 1 387.436 3.804 20 5 GHBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000184472357 854365327 /nfs/dbraw/zinc/36/53/27/854365327.db2.gz TUXVQYAJONALIS-HNNXBMFYSA-N 1 1 387.436 3.804 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000588771332 854411309 /nfs/dbraw/zinc/41/13/09/854411309.db2.gz XRDGXMZFILLSBQ-RDTXWAMCSA-N 1 1 385.489 3.710 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000589497452 854910283 /nfs/dbraw/zinc/91/02/83/854910283.db2.gz DLBRJRYSKUWLQT-UHFFFAOYSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC000589503482 854912130 /nfs/dbraw/zinc/91/21/30/854912130.db2.gz RWWOKTZDKIJAHF-OAQYLSRUSA-N 1 1 398.459 3.643 20 5 GHBDMO Cc1cc(CNc2ncc(Br)cc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000589604131 855055677 /nfs/dbraw/zinc/05/56/77/855055677.db2.gz JKNHYSZCTLTVLE-UHFFFAOYSA-N 1 1 392.257 3.668 20 5 GHBDMO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Br)[NH+]2CCCC2)o1 ZINC000301520489 855199164 /nfs/dbraw/zinc/19/91/64/855199164.db2.gz GQWMRUDUBUQUGU-CQSZACIVSA-N 1 1 395.257 3.903 20 5 GHBDMO C[C@H]1C[C@@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000301551181 855240842 /nfs/dbraw/zinc/24/08/42/855240842.db2.gz QNNAPAUYGCMCRW-HOCLYGCPSA-N 1 1 393.447 3.709 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000590068585 855273780 /nfs/dbraw/zinc/27/37/80/855273780.db2.gz CSOZFHVIGNIMJP-UHFFFAOYSA-N 1 1 395.503 3.915 20 5 GHBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273409088 855349941 /nfs/dbraw/zinc/34/99/41/855349941.db2.gz HZTVDBUSJVJUIO-LPHOPBHVSA-N 1 1 387.411 3.525 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](CCN)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC001170315974 881344853 /nfs/dbraw/zinc/34/48/53/881344853.db2.gz ZWBSXXYONJJKCK-NOCBQHASSA-N 1 1 387.524 3.764 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000591026167 855746160 /nfs/dbraw/zinc/74/61/60/855746160.db2.gz CMETWPPPEMQZBR-NEPJUHHUSA-N 1 1 389.374 3.595 20 5 GHBDMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427604017 855784199 /nfs/dbraw/zinc/78/41/99/855784199.db2.gz MXJGUEKBUASJSO-FQEVSTJZSA-N 1 1 393.487 3.998 20 5 GHBDMO CCOc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000499436079 856318278 /nfs/dbraw/zinc/31/82/78/856318278.db2.gz NESPOEQNSIBYQU-IRXDYDNUSA-N 1 1 397.475 3.729 20 5 GHBDMO CCOc1ccc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000499436079 856318285 /nfs/dbraw/zinc/31/82/85/856318285.db2.gz NESPOEQNSIBYQU-IRXDYDNUSA-N 1 1 397.475 3.729 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3ncc(C)cc3[N+](=O)[O-])CC2)cs1 ZINC000301435266 856360053 /nfs/dbraw/zinc/36/00/53/856360053.db2.gz KFVROGPBUCFEOA-UHFFFAOYSA-N 1 1 375.498 3.641 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485397855 856444384 /nfs/dbraw/zinc/44/43/84/856444384.db2.gz YZZMLUDQSQOKLK-MRXNPFEDSA-N 1 1 384.455 3.964 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC[N@H+]1C ZINC000485401976 856450607 /nfs/dbraw/zinc/45/06/07/856450607.db2.gz GLQJPZMDTJAVPT-CABCVRRESA-N 1 1 385.489 3.959 20 5 GHBDMO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000507885896 856628617 /nfs/dbraw/zinc/62/86/17/856628617.db2.gz GEOOIAQJEODJAL-UHFFFAOYSA-N 1 1 375.375 3.724 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000173113310 856746733 /nfs/dbraw/zinc/74/67/33/856746733.db2.gz UNZKVSQSWNNNDK-PXNSSMCTSA-N 1 1 381.476 3.649 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301667505 856930889 /nfs/dbraw/zinc/93/08/89/856930889.db2.gz CTPFHOBHZQFMDH-UONOGXRCSA-N 1 1 397.317 3.843 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H](COCC4CC4)C3)s2)cc1 ZINC000485697522 856971421 /nfs/dbraw/zinc/97/14/21/856971421.db2.gz SRBMTBZTWWBMNP-SFHVURJKSA-N 1 1 388.489 3.951 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H](COCC4CC4)C3)s2)cc1 ZINC000485697522 856971425 /nfs/dbraw/zinc/97/14/25/856971425.db2.gz SRBMTBZTWWBMNP-SFHVURJKSA-N 1 1 388.489 3.951 20 5 GHBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000246190804 857280840 /nfs/dbraw/zinc/28/08/40/857280840.db2.gz DBEJJCAZWZPVCU-OXJNMPFZSA-N 1 1 395.459 3.943 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000593076399 857338136 /nfs/dbraw/zinc/33/81/36/857338136.db2.gz BDCVZLGMOHMXEQ-SUMWQHHRSA-N 1 1 386.452 3.565 20 5 GHBDMO Cc1sc(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cc1[N+](=O)[O-] ZINC000520870221 857350131 /nfs/dbraw/zinc/35/01/31/857350131.db2.gz YTWNJAQNKZAILO-UHFFFAOYSA-N 1 1 395.525 3.508 20 5 GHBDMO Cc1sc(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cc1[N+](=O)[O-] ZINC000520870221 857350144 /nfs/dbraw/zinc/35/01/44/857350144.db2.gz YTWNJAQNKZAILO-UHFFFAOYSA-N 1 1 395.525 3.508 20 5 GHBDMO C[N@@H+](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000113326713 857429291 /nfs/dbraw/zinc/42/92/91/857429291.db2.gz VALKPSSWGRXQCA-UHFFFAOYSA-N 1 1 382.489 3.940 20 5 GHBDMO CN(CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000113326713 857429294 /nfs/dbraw/zinc/42/92/94/857429294.db2.gz VALKPSSWGRXQCA-UHFFFAOYSA-N 1 1 382.489 3.940 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000486317513 857650324 /nfs/dbraw/zinc/65/03/24/857650324.db2.gz HDYOCKOUVKTRJD-PKOBYXMFSA-N 1 1 381.476 3.934 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592518203 857666260 /nfs/dbraw/zinc/66/62/60/857666260.db2.gz LAVGGGYFOKPRCW-FQEVSTJZSA-N 1 1 378.432 3.649 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486465886 857762271 /nfs/dbraw/zinc/76/22/71/857762271.db2.gz YNUULVWBCWOKCX-DYESRHJHSA-N 1 1 382.464 3.792 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442410886 857821855 /nfs/dbraw/zinc/82/18/55/857821855.db2.gz NQCMOAFBRZQMNS-OAHLLOKOSA-N 1 1 385.489 3.960 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000114192859 857935325 /nfs/dbraw/zinc/93/53/25/857935325.db2.gz XTNMFUIQYDKTFG-OAQYLSRUSA-N 1 1 397.475 3.604 20 5 GHBDMO CSc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000027387326 857963222 /nfs/dbraw/zinc/96/32/22/857963222.db2.gz NPQYRHXEGJWETM-UHFFFAOYSA-N 1 1 399.516 3.973 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)C2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000439008880 858029665 /nfs/dbraw/zinc/02/96/65/858029665.db2.gz USRVNGRIKGHXNO-UHFFFAOYSA-N 1 1 396.491 3.833 20 5 GHBDMO CC[N@H+](Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000442961416 858271234 /nfs/dbraw/zinc/27/12/34/858271234.db2.gz BBMUBHXTWZZXPU-KRWDZBQOSA-N 1 1 385.489 3.765 20 5 GHBDMO CC[N@@H+](Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000442961416 858271239 /nfs/dbraw/zinc/27/12/39/858271239.db2.gz BBMUBHXTWZZXPU-KRWDZBQOSA-N 1 1 385.489 3.765 20 5 GHBDMO O=[N+]([O-])c1ccccc1Cc1noc(-c2cnn(-c3cc[nH+]cc3)c2C(F)F)n1 ZINC000349890799 858379937 /nfs/dbraw/zinc/37/99/37/858379937.db2.gz WDTLLSUYUQBPAE-UHFFFAOYSA-N 1 1 398.329 3.754 20 5 GHBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000595369401 858518807 /nfs/dbraw/zinc/51/88/07/858518807.db2.gz FEDGIOCRBPCMMY-UQFXTHDASA-N 1 1 392.500 3.575 20 5 GHBDMO CCN1CC[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595473336 858541927 /nfs/dbraw/zinc/54/19/27/858541927.db2.gz ASSNEQXDBUSQPE-YOEHRIQHSA-N 1 1 382.823 3.609 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115552738 858566516 /nfs/dbraw/zinc/56/65/16/858566516.db2.gz XYOAFLCYAFCQLW-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000115552742 858566625 /nfs/dbraw/zinc/56/66/25/858566625.db2.gz XYOAFLCYAFCQLW-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000543140650 858587349 /nfs/dbraw/zinc/58/73/49/858587349.db2.gz YNJXARJLXVSCJY-MAUKXSAKSA-N 1 1 392.402 3.840 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000543140650 858587353 /nfs/dbraw/zinc/58/73/53/858587353.db2.gz YNJXARJLXVSCJY-MAUKXSAKSA-N 1 1 392.402 3.840 20 5 GHBDMO COc1cc(C[N@@H+](C)CCc2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491205429 858595425 /nfs/dbraw/zinc/59/54/25/858595425.db2.gz OGSKDJCUOYZLMP-UHFFFAOYSA-N 1 1 380.391 3.922 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000595912308 858716596 /nfs/dbraw/zinc/71/65/96/858716596.db2.gz ZZPNOMGXSYFONS-UHFFFAOYSA-N 1 1 381.432 3.553 20 5 GHBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCN(c2ccccn2)CC1 ZINC000482698923 858773828 /nfs/dbraw/zinc/77/38/28/858773828.db2.gz MFLNAXUVFSVJCL-UHFFFAOYSA-N 1 1 394.479 3.605 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596076818 858774867 /nfs/dbraw/zinc/77/48/67/858774867.db2.gz PZBBCLVDCYQUOR-HNNXBMFYSA-N 1 1 382.464 3.538 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@H]1O ZINC000250120152 858799433 /nfs/dbraw/zinc/79/94/33/858799433.db2.gz VDXMYSWPJWDOTQ-BDJLRTHQSA-N 1 1 395.253 3.820 20 5 GHBDMO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)cc1F ZINC000499682574 858827176 /nfs/dbraw/zinc/82/71/76/858827176.db2.gz UGYCAIUFUASPAK-UHFFFAOYSA-N 1 1 396.422 3.613 20 5 GHBDMO CC(C)S(=O)(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429266644 858866724 /nfs/dbraw/zinc/86/67/24/858866724.db2.gz JSRNJPLTKXMKRK-UHFFFAOYSA-N 1 1 376.478 3.802 20 5 GHBDMO Cc1ccc([C@@H](NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000429266960 858868750 /nfs/dbraw/zinc/86/87/50/858868750.db2.gz LFPMMCGWCDWGMA-OAQYLSRUSA-N 1 1 381.476 3.995 20 5 GHBDMO CC(C)(C)c1nc(CN2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000522269139 858924585 /nfs/dbraw/zinc/92/45/85/858924585.db2.gz BWWRASCXGZCCOU-UHFFFAOYSA-N 1 1 388.537 3.709 20 5 GHBDMO C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487432999 859027915 /nfs/dbraw/zinc/02/79/15/859027915.db2.gz XOZYLROWQQQQKO-WMZOPIPTSA-N 1 1 399.516 3.714 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543252890 859040595 /nfs/dbraw/zinc/04/05/95/859040595.db2.gz RKZCMUILRMNBAC-QWHCGFSZSA-N 1 1 385.917 3.577 20 5 GHBDMO O=[N+]([O-])c1cnc2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n21 ZINC001170336824 881381453 /nfs/dbraw/zinc/38/14/53/881381453.db2.gz FZXJQBCEQAMGFO-NNZMDNLPSA-N 1 1 377.448 3.850 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C2CCCC2)C2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001170355420 881397288 /nfs/dbraw/zinc/39/72/88/881397288.db2.gz DPLPZEVLKKVMGC-INIZCTEOSA-N 1 1 375.513 3.873 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000060426013 859245162 /nfs/dbraw/zinc/24/51/62/859245162.db2.gz VRCSCFHWYLGJFR-QGZVFWFLSA-N 1 1 397.475 3.664 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597231659 859365247 /nfs/dbraw/zinc/36/52/47/859365247.db2.gz PFTJSMJJCTXCFZ-IEBWSBKVSA-N 1 1 398.459 3.651 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1nc(-c3cccc(Cl)c3)no1)CC2 ZINC000131274656 859444887 /nfs/dbraw/zinc/44/48/87/859444887.db2.gz OPCOUWQEVXTYQU-UHFFFAOYSA-N 1 1 384.823 3.899 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000474182950 859572390 /nfs/dbraw/zinc/57/23/90/859572390.db2.gz FRECFWTTZSDRJD-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO COc1cccc([C@@H](C)[NH+]2CCN(c3cc(OC)c([N+](=O)[O-])cc3F)CC2)c1 ZINC000301970326 859595038 /nfs/dbraw/zinc/59/50/38/859595038.db2.gz RGPOHKAJEPKUGG-CQSZACIVSA-N 1 1 389.427 3.634 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000117764353 859614557 /nfs/dbraw/zinc/61/45/57/859614557.db2.gz QTAJMWJWZUMGFX-UHFFFAOYSA-N 1 1 375.856 3.559 20 5 GHBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000611215806 859652921 /nfs/dbraw/zinc/65/29/21/859652921.db2.gz FQZHVARDHCZDGM-AWEZNQCLSA-N 1 1 377.510 3.701 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000611222749 859656253 /nfs/dbraw/zinc/65/62/53/859656253.db2.gz IACFAJMOCJLUQX-OWCLPIDISA-N 1 1 382.464 3.620 20 5 GHBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266776 859673847 /nfs/dbraw/zinc/67/38/47/859673847.db2.gz MGUKSCGEUSPLLU-HTAPYJJXSA-N 1 1 398.459 3.966 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCC1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000552055020 859678482 /nfs/dbraw/zinc/67/84/82/859678482.db2.gz XKROKWBICWHZGX-NRFANRHFSA-N 1 1 376.460 3.812 20 5 GHBDMO Cc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000154305672 860057909 /nfs/dbraw/zinc/05/79/09/860057909.db2.gz HXTINETUFXXCII-UXHICEINSA-N 1 1 389.883 3.718 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)O1 ZINC000092486112 860060571 /nfs/dbraw/zinc/06/05/71/860060571.db2.gz BPGJPQLIKYHOMF-IIBYNOLFSA-N 1 1 392.459 3.957 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)O1 ZINC000092486112 860060581 /nfs/dbraw/zinc/06/05/81/860060581.db2.gz BPGJPQLIKYHOMF-IIBYNOLFSA-N 1 1 392.459 3.957 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598220051 860166864 /nfs/dbraw/zinc/16/68/64/860166864.db2.gz OOEJMTFALXPWAL-GFCCVEGCSA-N 1 1 385.386 3.750 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3cccc(COC[C@@H]4CCCO4)c3)nc2c1 ZINC000602716450 860227717 /nfs/dbraw/zinc/22/77/17/860227717.db2.gz ICZYVWIAOAYQKS-SFHVURJKSA-N 1 1 397.431 3.721 20 5 GHBDMO C[C@H](O)CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093481879 860282673 /nfs/dbraw/zinc/28/26/73/860282673.db2.gz HGIQNWXUCBJUCS-INIZCTEOSA-N 1 1 380.448 3.650 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000727837104 860287714 /nfs/dbraw/zinc/28/77/14/860287714.db2.gz KAUXPPRLBIEILQ-QGZVFWFLSA-N 1 1 384.354 3.533 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646811 860323642 /nfs/dbraw/zinc/32/36/42/860323642.db2.gz KUCPFHGLZPPBKJ-HKUYNNGSSA-N 1 1 392.477 3.642 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646811 860323651 /nfs/dbraw/zinc/32/36/51/860323651.db2.gz KUCPFHGLZPPBKJ-HKUYNNGSSA-N 1 1 392.477 3.642 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(c4ccc(F)cn4)CC3)n2)c1 ZINC000602902565 860354435 /nfs/dbraw/zinc/35/44/35/860354435.db2.gz DCUBWLFMZCPJAZ-UHFFFAOYSA-N 1 1 383.383 3.559 20 5 GHBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000474564466 860355120 /nfs/dbraw/zinc/35/51/20/860355120.db2.gz TUPGEADNCQXZDB-UHFFFAOYSA-N 1 1 385.489 3.912 20 5 GHBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000093898639 860370160 /nfs/dbraw/zinc/37/01/60/860370160.db2.gz RNMQZSPQKBUDFW-CYBMUJFWSA-N 1 1 391.855 3.854 20 5 GHBDMO C[C@@](CO)([NH2+]Cc1ccccc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602965763 860373392 /nfs/dbraw/zinc/37/33/92/860373392.db2.gz NOBKEUDLXZWVDQ-KRWDZBQOSA-N 1 1 384.354 3.533 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000593577711 860455538 /nfs/dbraw/zinc/45/55/38/860455538.db2.gz IDBPZLGRFVBDND-UHFFFAOYSA-N 1 1 391.487 3.637 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000542664527 860459425 /nfs/dbraw/zinc/45/94/25/860459425.db2.gz ZPRHNAWLKBWGMJ-HUUCEWRRSA-N 1 1 384.436 3.943 20 5 GHBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000484942917 860512559 /nfs/dbraw/zinc/51/25/59/860512559.db2.gz RMVKARFENHLQSM-SJORKVTESA-N 1 1 399.878 3.842 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000330475411 860513881 /nfs/dbraw/zinc/51/38/81/860513881.db2.gz STYPAWCBXSQYIH-ZDUSSCGKSA-N 1 1 398.301 3.612 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000557015531 881551804 /nfs/dbraw/zinc/55/18/04/881551804.db2.gz YTVFLZFHTKQDPT-UHFFFAOYSA-N 1 1 383.448 3.646 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000557015531 881551827 /nfs/dbraw/zinc/55/18/27/881551827.db2.gz YTVFLZFHTKQDPT-UHFFFAOYSA-N 1 1 383.448 3.646 20 5 GHBDMO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000132635749 860591962 /nfs/dbraw/zinc/59/19/62/860591962.db2.gz DAZKZVMMHVSSQV-GUYCJALGSA-N 1 1 395.381 3.858 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCN1C1CCC1 ZINC000599019535 860742623 /nfs/dbraw/zinc/74/26/23/860742623.db2.gz GNGGBFAHPGGGSL-KRWDZBQOSA-N 1 1 389.839 3.751 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125774570 860775342 /nfs/dbraw/zinc/77/53/42/860775342.db2.gz UNDDJUFVVUCVII-KRWDZBQOSA-N 1 1 397.475 3.646 20 5 GHBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000593674565 860787540 /nfs/dbraw/zinc/78/75/40/860787540.db2.gz YFVVISNYTYNTLV-HZPDHXFCSA-N 1 1 392.839 3.622 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000603607882 860899452 /nfs/dbraw/zinc/89/94/52/860899452.db2.gz PKENLRBGUXZLDV-INIZCTEOSA-N 1 1 399.447 3.610 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC4(CC3)C[C@@H](O)c3ccccc3O4)c2c1 ZINC000896578196 861095323 /nfs/dbraw/zinc/09/53/23/861095323.db2.gz GYAYZRNNQHBAMI-HXUWFJFHSA-N 1 1 391.427 3.998 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302045283 861184069 /nfs/dbraw/zinc/18/40/69/861184069.db2.gz UDYSHRLPOXWRMM-CYBMUJFWSA-N 1 1 387.311 3.508 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000467471125 863120237 /nfs/dbraw/zinc/12/02/37/863120237.db2.gz DLYYJNWKAVEMHG-OAHLLOKOSA-N 1 1 377.510 3.552 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444160922 863567826 /nfs/dbraw/zinc/56/78/26/863567826.db2.gz PLMWJDZLAYUIEV-SFHVURJKSA-N 1 1 389.499 3.676 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000444247589 863753085 /nfs/dbraw/zinc/75/30/85/863753085.db2.gz GBCLHJJHMKSVJE-SFHVURJKSA-N 1 1 382.464 3.745 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000444247589 863753091 /nfs/dbraw/zinc/75/30/91/863753091.db2.gz GBCLHJJHMKSVJE-SFHVURJKSA-N 1 1 382.464 3.745 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000063094932 864130735 /nfs/dbraw/zinc/13/07/35/864130735.db2.gz BYSZLYUTMWPVHZ-UHFFFAOYSA-N 1 1 388.512 3.532 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475306954 864746843 /nfs/dbraw/zinc/74/68/43/864746843.db2.gz WUCMFCKRTWNLRV-VQIMIIECSA-N 1 1 399.516 3.808 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H](O)c1ccc(C)cc1 ZINC000173832839 865095333 /nfs/dbraw/zinc/09/53/33/865095333.db2.gz VRLJHLWYEVVHCW-HXUWFJFHSA-N 1 1 385.464 3.596 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000121293274 865274741 /nfs/dbraw/zinc/27/47/41/865274741.db2.gz ZBDWRJNWPMZXJD-OAHLLOKOSA-N 1 1 382.395 3.849 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000475487959 866023027 /nfs/dbraw/zinc/02/30/27/866023027.db2.gz PSMMRUUOBVZLOZ-UHFFFAOYSA-N 1 1 384.476 3.872 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000475547272 866233665 /nfs/dbraw/zinc/23/36/65/866233665.db2.gz GVFFGOXOJISRNA-UHFFFAOYSA-N 1 1 394.427 3.932 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000475560518 866287474 /nfs/dbraw/zinc/28/74/74/866287474.db2.gz UVUWQOVUMQEDKZ-INIZCTEOSA-N 1 1 382.464 3.780 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C2CC2)C2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000475567793 866327358 /nfs/dbraw/zinc/32/73/58/866327358.db2.gz YMMLGPFRZJOXDX-UHFFFAOYSA-N 1 1 376.453 3.690 20 5 GHBDMO C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000456330411 866436039 /nfs/dbraw/zinc/43/60/39/866436039.db2.gz JKCPRFQASKJQOE-INIZCTEOSA-N 1 1 392.459 3.670 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456327635 866447046 /nfs/dbraw/zinc/44/70/46/866447046.db2.gz HSNXGVFDVPLNTE-MRXNPFEDSA-N 1 1 392.459 3.670 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000741747176 866751735 /nfs/dbraw/zinc/75/17/35/866751735.db2.gz ODMPYAFLOZYPMZ-CQSZACIVSA-N 1 1 389.839 3.721 20 5 GHBDMO COC(=O)c1cc(C)nc(N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1[N+](=O)[O-] ZINC000553112881 866821765 /nfs/dbraw/zinc/82/17/65/866821765.db2.gz JFQODPWNZIREEY-CYBMUJFWSA-N 1 1 395.419 3.752 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000444646043 866997750 /nfs/dbraw/zinc/99/77/50/866997750.db2.gz YFZSUKQMMSRZQV-INIZCTEOSA-N 1 1 380.448 3.934 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000444646043 866997761 /nfs/dbraw/zinc/99/77/61/866997761.db2.gz YFZSUKQMMSRZQV-INIZCTEOSA-N 1 1 380.448 3.934 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000444646044 866997794 /nfs/dbraw/zinc/99/77/94/866997794.db2.gz YFZSUKQMMSRZQV-MRXNPFEDSA-N 1 1 380.448 3.934 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000444646044 866997808 /nfs/dbraw/zinc/99/78/08/866997808.db2.gz YFZSUKQMMSRZQV-MRXNPFEDSA-N 1 1 380.448 3.934 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444702351 867088898 /nfs/dbraw/zinc/08/88/98/867088898.db2.gz IWEHQJIHOLFNHX-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000553278551 867091487 /nfs/dbraw/zinc/09/14/87/867091487.db2.gz XIWRKUQSUSYNGZ-HNNXBMFYSA-N 1 1 382.464 3.538 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000553449812 867437879 /nfs/dbraw/zinc/43/78/79/867437879.db2.gz ZVYVFYATFZHRDY-ZIAGYGMSSA-N 1 1 383.477 3.699 20 5 GHBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000457045353 867566743 /nfs/dbraw/zinc/56/67/43/867566743.db2.gz AOMBGONIINPBBR-UHFFFAOYSA-N 1 1 399.441 3.564 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000743035373 867768703 /nfs/dbraw/zinc/76/87/03/867768703.db2.gz AZJJXONTGGPQSF-QGZVFWFLSA-N 1 1 384.505 3.746 20 5 GHBDMO Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000743389957 868146113 /nfs/dbraw/zinc/14/61/13/868146113.db2.gz YLIBENUZTONPDR-OAQYLSRUSA-N 1 1 394.475 3.934 20 5 GHBDMO CCCCC[C@H](C)NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743863122 868461007 /nfs/dbraw/zinc/46/10/07/868461007.db2.gz VLNKKXOPSYQJLP-INIZCTEOSA-N 1 1 377.485 3.523 20 5 GHBDMO CCC(=O)c1ccc(NCc2ccccc2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000479903331 868675701 /nfs/dbraw/zinc/67/57/01/868675701.db2.gz NJWOSSJANVPJDA-UHFFFAOYSA-N 1 1 383.448 3.632 20 5 GHBDMO COCC[N@H+](CCOc1ccc(F)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000524189386 868683960 /nfs/dbraw/zinc/68/39/60/868683960.db2.gz LKJKXGWSJMSXHO-UHFFFAOYSA-N 1 1 382.819 3.915 20 5 GHBDMO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000524189386 868683967 /nfs/dbraw/zinc/68/39/67/868683967.db2.gz LKJKXGWSJMSXHO-UHFFFAOYSA-N 1 1 382.819 3.915 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825057 868790985 /nfs/dbraw/zinc/79/09/85/868790985.db2.gz IFIGIIYJNFZTFF-OAHLLOKOSA-N 1 1 394.431 3.863 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825057 868790999 /nfs/dbraw/zinc/79/09/99/868790999.db2.gz IFIGIIYJNFZTFF-OAHLLOKOSA-N 1 1 394.431 3.863 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744411971 868820165 /nfs/dbraw/zinc/82/01/65/868820165.db2.gz BRZSWWSCHZPMEQ-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744411971 868820174 /nfs/dbraw/zinc/82/01/74/868820174.db2.gz BRZSWWSCHZPMEQ-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1cc(CN2CC[N@@H+](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000537636932 882250367 /nfs/dbraw/zinc/25/03/67/882250367.db2.gz REPBQZNLFIETDN-KRWDZBQOSA-N 1 1 399.491 3.708 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000152855484 869483034 /nfs/dbraw/zinc/48/30/34/869483034.db2.gz CLDXZEYIYQMEQO-GOSISDBHSA-N 1 1 381.476 3.650 20 5 GHBDMO COc1cc(C[N@@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000524753149 869499717 /nfs/dbraw/zinc/49/97/17/869499717.db2.gz HOZKXKYTFZXBLW-HNNXBMFYSA-N 1 1 376.425 3.778 20 5 GHBDMO COc1cc(C[N@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000524753149 869499720 /nfs/dbraw/zinc/49/97/20/869499720.db2.gz HOZKXKYTFZXBLW-HNNXBMFYSA-N 1 1 376.425 3.778 20 5 GHBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000446249157 869606898 /nfs/dbraw/zinc/60/68/98/869606898.db2.gz QOGCMTDUBMZZTO-KRWDZBQOSA-N 1 1 397.475 3.887 20 5 GHBDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441021835 869762981 /nfs/dbraw/zinc/76/29/81/869762981.db2.gz BUPVYVKUVNXCFD-SGTLLEGYSA-N 1 1 389.839 3.511 20 5 GHBDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441021835 869762988 /nfs/dbraw/zinc/76/29/88/869762988.db2.gz BUPVYVKUVNXCFD-SGTLLEGYSA-N 1 1 389.839 3.511 20 5 GHBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000539827785 869860029 /nfs/dbraw/zinc/86/00/29/869860029.db2.gz AWDOKBWKFACWQY-GFCCVEGCSA-N 1 1 394.269 3.753 20 5 GHBDMO C[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000539827785 869860051 /nfs/dbraw/zinc/86/00/51/869860051.db2.gz AWDOKBWKFACWQY-GFCCVEGCSA-N 1 1 394.269 3.753 20 5 GHBDMO C[C@@H]1CN(C)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000539827785 869860062 /nfs/dbraw/zinc/86/00/62/869860062.db2.gz AWDOKBWKFACWQY-GFCCVEGCSA-N 1 1 394.269 3.753 20 5 GHBDMO CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539861774 869910817 /nfs/dbraw/zinc/91/08/17/869910817.db2.gz CDTHHHXBECRLDE-FQEVSTJZSA-N 1 1 383.492 3.947 20 5 GHBDMO CCOc1cc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000539970044 870131957 /nfs/dbraw/zinc/13/19/57/870131957.db2.gz PWWIKKBBGZRWIQ-INIZCTEOSA-N 1 1 385.464 3.826 20 5 GHBDMO CCOc1cc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000539970044 870131966 /nfs/dbraw/zinc/13/19/66/870131966.db2.gz PWWIKKBBGZRWIQ-INIZCTEOSA-N 1 1 385.464 3.826 20 5 GHBDMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195489 870148481 /nfs/dbraw/zinc/14/84/81/870148481.db2.gz FEWWRCFGJRDCAV-LPHOPBHVSA-N 1 1 399.491 3.755 20 5 GHBDMO COc1cc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195489 870148493 /nfs/dbraw/zinc/14/84/93/870148493.db2.gz FEWWRCFGJRDCAV-LPHOPBHVSA-N 1 1 399.491 3.755 20 5 GHBDMO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195695 870149861 /nfs/dbraw/zinc/14/98/61/870149861.db2.gz YYINTSOXQQJTKT-VQIMIIECSA-N 1 1 399.491 3.755 20 5 GHBDMO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195695 870149866 /nfs/dbraw/zinc/14/98/66/870149866.db2.gz YYINTSOXQQJTKT-VQIMIIECSA-N 1 1 399.491 3.755 20 5 GHBDMO C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000446838885 870559233 /nfs/dbraw/zinc/55/92/33/870559233.db2.gz NBWXLIBJDCJVBO-NVXWUHKLSA-N 1 1 379.464 3.614 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000525397789 870612110 /nfs/dbraw/zinc/61/21/10/870612110.db2.gz UANBIJDCLQSZPV-ZFWWWQNUSA-N 1 1 388.493 3.663 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3CCO)o2)c(Br)c1 ZINC000428463793 870819964 /nfs/dbraw/zinc/81/99/64/870819964.db2.gz QFBWHRYHKWVOJS-GFCCVEGCSA-N 1 1 395.253 3.964 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169012209 871095484 /nfs/dbraw/zinc/09/54/84/871095484.db2.gz OSFMZHUECXMMIU-UWVAXJGDSA-N 1 1 381.517 3.687 20 5 GHBDMO C[N@@H+](C1CN(C(c2ccccc2)c2ccccc2)C1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036918 871115449 /nfs/dbraw/zinc/11/54/49/871115449.db2.gz QUOSDLGKPMEORP-GHTZIAJQSA-N 1 1 379.504 3.837 20 5 GHBDMO C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169021989 871122291 /nfs/dbraw/zinc/12/22/91/871122291.db2.gz MBBJRYCPHMFYMG-RISVGRPXSA-N 1 1 377.554 3.726 20 5 GHBDMO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169021989 871122306 /nfs/dbraw/zinc/12/23/06/871122306.db2.gz MBBJRYCPHMFYMG-RISVGRPXSA-N 1 1 377.554 3.726 20 5 GHBDMO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169021989 871122321 /nfs/dbraw/zinc/12/23/21/871122321.db2.gz MBBJRYCPHMFYMG-RISVGRPXSA-N 1 1 377.554 3.726 20 5 GHBDMO COc1ccc(OCC[N@H+](Cc2ccc(F)cc2F)C2CC2)c([N+](=O)[O-])c1 ZINC000441227930 871234605 /nfs/dbraw/zinc/23/46/05/871234605.db2.gz INUPTBYHUULAIP-UHFFFAOYSA-N 1 1 378.375 3.925 20 5 GHBDMO COc1ccc(OCC[N@@H+](Cc2ccc(F)cc2F)C2CC2)c([N+](=O)[O-])c1 ZINC000441227930 871234615 /nfs/dbraw/zinc/23/46/15/871234615.db2.gz INUPTBYHUULAIP-UHFFFAOYSA-N 1 1 378.375 3.925 20 5 GHBDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]2C ZINC001169152528 871264522 /nfs/dbraw/zinc/26/45/22/871264522.db2.gz LRKNMUIPBOAEDB-LSDHHAIUSA-N 1 1 386.448 3.999 20 5 GHBDMO CC(C)(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000181614672 871279795 /nfs/dbraw/zinc/27/97/95/871279795.db2.gz XWGQWRRVPNYOGQ-KRWDZBQOSA-N 1 1 377.391 3.849 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001127244680 871320874 /nfs/dbraw/zinc/32/08/74/871320874.db2.gz GRKOPJWNDHHSAY-JKSUJKDBSA-N 1 1 385.439 3.777 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001127244680 871320894 /nfs/dbraw/zinc/32/08/94/871320894.db2.gz GRKOPJWNDHHSAY-JKSUJKDBSA-N 1 1 385.439 3.777 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181828916 871526378 /nfs/dbraw/zinc/52/63/78/871526378.db2.gz PFRGBXHQXLGUIR-LJQANCHMSA-N 1 1 399.447 3.514 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000539247708 871550860 /nfs/dbraw/zinc/55/08/60/871550860.db2.gz LNWKQXGUOHODGW-LBPRGKRZSA-N 1 1 379.363 3.794 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCCC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000475711207 882538127 /nfs/dbraw/zinc/53/81/27/882538127.db2.gz VLHWZPMAHRBJEH-UHFFFAOYSA-N 1 1 376.453 3.693 20 5 GHBDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463467806 871834939 /nfs/dbraw/zinc/83/49/39/871834939.db2.gz AFVGTWWTAZPAAQ-UHFFFAOYSA-N 1 1 378.400 3.782 20 5 GHBDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463467806 871834957 /nfs/dbraw/zinc/83/49/57/871834957.db2.gz AFVGTWWTAZPAAQ-UHFFFAOYSA-N 1 1 378.400 3.782 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC001195289535 872314678 /nfs/dbraw/zinc/31/46/78/872314678.db2.gz OSMPMCLDQQOVPS-CHWSQXEVSA-N 1 1 382.432 3.685 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC001195289535 872314683 /nfs/dbraw/zinc/31/46/83/872314683.db2.gz OSMPMCLDQQOVPS-CHWSQXEVSA-N 1 1 382.432 3.685 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1Cl ZINC000478035297 872345359 /nfs/dbraw/zinc/34/53/59/872345359.db2.gz NEAUSXAIMJZFET-UHFFFAOYSA-N 1 1 399.838 3.748 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001195384660 872382074 /nfs/dbraw/zinc/38/20/74/872382074.db2.gz AQJCDMMIZPYCEK-INIZCTEOSA-N 1 1 378.469 3.950 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000619569433 872746909 /nfs/dbraw/zinc/74/69/09/872746909.db2.gz ANJLTHJGHGAYGT-PWIZWCRZSA-N 1 1 389.496 3.637 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000541056842 872809813 /nfs/dbraw/zinc/80/98/13/872809813.db2.gz LWWOUBYCCLICRX-DLBZAZTESA-N 1 1 393.528 3.802 20 5 GHBDMO Cn1cc(C[NH+]2CCC(Cc3nc(C(C)(C)C)cs3)CC2)c([N+](=O)[O-])n1 ZINC001196014754 872815742 /nfs/dbraw/zinc/81/57/42/872815742.db2.gz XTDLSLGFKISUAZ-UHFFFAOYSA-N 1 1 377.514 3.537 20 5 GHBDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]2CCCC[C@@H]12 ZINC000541122546 872997344 /nfs/dbraw/zinc/99/73/44/872997344.db2.gz QCQXTFSJSQJYJG-FFSVYQOJSA-N 1 1 396.285 3.806 20 5 GHBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]2CCCC[C@@H]12 ZINC000541122546 872997359 /nfs/dbraw/zinc/99/73/59/872997359.db2.gz QCQXTFSJSQJYJG-FFSVYQOJSA-N 1 1 396.285 3.806 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001127247728 873001766 /nfs/dbraw/zinc/00/17/66/873001766.db2.gz ZIPSGVVMSCXLNU-QZTJIDSGSA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001127247728 873001785 /nfs/dbraw/zinc/00/17/85/873001785.db2.gz ZIPSGVVMSCXLNU-QZTJIDSGSA-N 1 1 381.476 3.947 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCCN2CCOCC2)s1 ZINC000102422759 873056579 /nfs/dbraw/zinc/05/65/79/873056579.db2.gz LGTHGDSOCLYLQE-UHFFFAOYSA-N 1 1 375.494 3.525 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000121463656 873286314 /nfs/dbraw/zinc/28/63/14/873286314.db2.gz GCIPIFDKMVGSSS-MRXNPFEDSA-N 1 1 395.463 3.630 20 5 GHBDMO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000768946738 873669934 /nfs/dbraw/zinc/66/99/34/873669934.db2.gz UOMFJZWVLIGIQI-GFCCVEGCSA-N 1 1 392.481 3.721 20 5 GHBDMO O=C(C[N@@H+]1CCCSC[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001197368590 873776171 /nfs/dbraw/zinc/77/61/71/873776171.db2.gz IXETXKZVCPGBPQ-HXUWFJFHSA-N 1 1 397.500 3.664 20 5 GHBDMO O=C(C[N@H+]1CCCSC[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001197368590 873776179 /nfs/dbraw/zinc/77/61/79/873776179.db2.gz IXETXKZVCPGBPQ-HXUWFJFHSA-N 1 1 397.500 3.664 20 5 GHBDMO O=C(C[N@@H+]1CCCSC[C@@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001197368715 873778314 /nfs/dbraw/zinc/77/83/14/873778314.db2.gz LNZKJGLXTJQGRZ-HXUWFJFHSA-N 1 1 397.500 3.664 20 5 GHBDMO O=C(C[N@H+]1CCCSC[C@@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001197368715 873778325 /nfs/dbraw/zinc/77/83/25/873778325.db2.gz LNZKJGLXTJQGRZ-HXUWFJFHSA-N 1 1 397.500 3.664 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCc3ccc(O)cc3CC2)ccc1Br ZINC000769191937 873843867 /nfs/dbraw/zinc/84/38/67/873843867.db2.gz UJCBOMDKRIAKKB-UHFFFAOYSA-N 1 1 377.238 3.664 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCc3ccc(O)cc3CC2)ccc1Br ZINC000769191937 873843880 /nfs/dbraw/zinc/84/38/80/873843880.db2.gz UJCBOMDKRIAKKB-UHFFFAOYSA-N 1 1 377.238 3.664 20 5 GHBDMO COc1cc(C[N@@H+]2CCOC[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000769456499 874082197 /nfs/dbraw/zinc/08/21/97/874082197.db2.gz LNIDYNVSERCKEP-INIZCTEOSA-N 1 1 386.448 3.651 20 5 GHBDMO COc1cc(C[N@H+]2CCOC[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000769456499 874082214 /nfs/dbraw/zinc/08/22/14/874082214.db2.gz LNIDYNVSERCKEP-INIZCTEOSA-N 1 1 386.448 3.651 20 5 GHBDMO C[C@@H]1COCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000769457814 874083979 /nfs/dbraw/zinc/08/39/79/874083979.db2.gz UWQKBDCGTSRSHA-KRWDZBQOSA-N 1 1 392.459 3.916 20 5 GHBDMO CCOC(=O)CCC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769528708 874135376 /nfs/dbraw/zinc/13/53/76/874135376.db2.gz XYSXRPYKTXDIKS-UHFFFAOYSA-N 1 1 399.285 3.913 20 5 GHBDMO O=C(OCc1ccccc1)N1CCC2(CC[N@@H+]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC001198011160 874161449 /nfs/dbraw/zinc/16/14/49/874161449.db2.gz RBQKMHSPWRLRMZ-UHFFFAOYSA-N 1 1 395.459 3.972 20 5 GHBDMO COc1cc(C[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000464695576 874332774 /nfs/dbraw/zinc/33/27/74/874332774.db2.gz XKXULAWCRXQEOD-LJQANCHMSA-N 1 1 376.428 3.762 20 5 GHBDMO O=C1[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCN1c1ccccc1 ZINC000464782835 874485473 /nfs/dbraw/zinc/48/54/73/874485473.db2.gz BAUBVNGAWFWNPW-OAQYLSRUSA-N 1 1 395.459 3.634 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000537650446 882835665 /nfs/dbraw/zinc/83/56/65/882835665.db2.gz FLGMUCBUQYTABU-KRWDZBQOSA-N 1 1 385.464 3.997 20 5 GHBDMO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770385318 874670397 /nfs/dbraw/zinc/67/03/97/874670397.db2.gz VYXAJMQSWXSDDP-CYBMUJFWSA-N 1 1 399.285 3.913 20 5 GHBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770385318 874670401 /nfs/dbraw/zinc/67/04/01/874670401.db2.gz VYXAJMQSWXSDDP-CYBMUJFWSA-N 1 1 399.285 3.913 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000494702600 882859001 /nfs/dbraw/zinc/85/90/01/882859001.db2.gz JPRWJIHCZFVHFP-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)s1 ZINC000449435220 874855356 /nfs/dbraw/zinc/85/53/56/874855356.db2.gz VIJYWAKEEYCPHM-QMTMVMCOSA-N 1 1 388.489 3.685 20 5 GHBDMO CC(C)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccc(F)cc1 ZINC000609146057 874923692 /nfs/dbraw/zinc/92/36/92/874923692.db2.gz UGHDIRHURWUZAL-UHFFFAOYSA-N 1 1 389.427 3.852 20 5 GHBDMO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000542183896 875104935 /nfs/dbraw/zinc/10/49/35/875104935.db2.gz FWPWSWZYZGSPMB-OAHLLOKOSA-N 1 1 378.432 3.778 20 5 GHBDMO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000542183896 875104937 /nfs/dbraw/zinc/10/49/37/875104937.db2.gz FWPWSWZYZGSPMB-OAHLLOKOSA-N 1 1 378.432 3.778 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000542258447 875265627 /nfs/dbraw/zinc/26/56/27/875265627.db2.gz DDCDQEOJTPYJNE-GFCCVEGCSA-N 1 1 397.258 3.920 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000026338987 875557111 /nfs/dbraw/zinc/55/71/11/875557111.db2.gz AVUBAKOWIKTVCA-CYBMUJFWSA-N 1 1 375.400 3.764 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000153102736 875785726 /nfs/dbraw/zinc/78/57/26/875785726.db2.gz UVCHGQUTIIIRQZ-OXQOHEQNSA-N 1 1 387.505 3.788 20 5 GHBDMO COc1ccc(Br)cc1C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272278 876134823 /nfs/dbraw/zinc/13/48/23/876134823.db2.gz SKLVKYGEMBSEOF-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO CCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000786136514 876502649 /nfs/dbraw/zinc/50/26/49/876502649.db2.gz SHTZTIJOZLDWOP-OXQOHEQNSA-N 1 1 385.464 3.676 20 5 GHBDMO COC1CC[NH+](C(C)(C)CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000609354136 883044174 /nfs/dbraw/zinc/04/41/74/883044174.db2.gz OIXRBMCGMZCJLX-UHFFFAOYSA-N 1 1 387.480 3.834 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000537677294 883116437 /nfs/dbraw/zinc/11/64/37/883116437.db2.gz FGGIBXMTJSVZPY-LPHOPBHVSA-N 1 1 381.476 3.913 20 5 GHBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000610047026 877328434 /nfs/dbraw/zinc/32/84/34/877328434.db2.gz XXJRIUAZTPYDQS-NRFANRHFSA-N 1 1 395.503 3.946 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000610128092 877441074 /nfs/dbraw/zinc/44/10/74/877441074.db2.gz ZKSYDTONGNKCAX-MRXNPFEDSA-N 1 1 392.459 3.813 20 5 GHBDMO C[C@H](O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000610161467 877466370 /nfs/dbraw/zinc/46/63/70/877466370.db2.gz VQVRCHIFMJIADH-INIZCTEOSA-N 1 1 381.432 3.675 20 5 GHBDMO CCOc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492819544 877589005 /nfs/dbraw/zinc/58/90/05/877589005.db2.gz SIOJSYGVEGWIPI-YLJYHZDGSA-N 1 1 383.492 3.994 20 5 GHBDMO CCOc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492819544 877589022 /nfs/dbraw/zinc/58/90/22/877589022.db2.gz SIOJSYGVEGWIPI-YLJYHZDGSA-N 1 1 383.492 3.994 20 5 GHBDMO C[N@H+](CCCCO)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788282495 877993010 /nfs/dbraw/zinc/99/30/10/877993010.db2.gz QNMHJYXZBHXDHX-SFHVURJKSA-N 1 1 391.855 3.632 20 5 GHBDMO C[N@@H+](CCCCO)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788282495 877993024 /nfs/dbraw/zinc/99/30/24/877993024.db2.gz QNMHJYXZBHXDHX-SFHVURJKSA-N 1 1 391.855 3.632 20 5 GHBDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000179792098 878015468 /nfs/dbraw/zinc/01/54/68/878015468.db2.gz SVTUDLAQXLJCNT-BDJLRTHQSA-N 1 1 393.390 3.950 20 5 GHBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CO)c1cccc(Br)c1 ZINC000788490223 878098716 /nfs/dbraw/zinc/09/87/16/878098716.db2.gz YZSGTBPLYVPDCG-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CO)c1cccc(Br)c1 ZINC000788490223 878098727 /nfs/dbraw/zinc/09/87/27/878098727.db2.gz YZSGTBPLYVPDCG-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc2c(c1)OCO2 ZINC000451548765 878123290 /nfs/dbraw/zinc/12/32/90/878123290.db2.gz OIASEXZXVCWKEE-MRXNPFEDSA-N 1 1 397.431 3.532 20 5 GHBDMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550828 878130534 /nfs/dbraw/zinc/13/05/34/878130534.db2.gz SEJVRGVFWWIBTO-RDJZCZTQSA-N 1 1 399.516 3.809 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000795682462 912331219 /nfs/dbraw/zinc/33/12/19/912331219.db2.gz XLAMTLOPEZDWFC-GVDBMIGSSA-N 1 1 379.416 3.728 20 5 GHBDMO CCOc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1[N+](=O)[O-] ZINC000180047239 878396211 /nfs/dbraw/zinc/39/62/11/878396211.db2.gz NDYSFENWFBXRQC-CQSZACIVSA-N 1 1 386.452 3.707 20 5 GHBDMO Cc1c(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000616209944 878659187 /nfs/dbraw/zinc/65/91/87/878659187.db2.gz LFYHXRVFEVZHMI-LJQANCHMSA-N 1 1 396.491 3.615 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)ccc1[N+](=O)[O-] ZINC000789366536 878901824 /nfs/dbraw/zinc/90/18/24/878901824.db2.gz OWNPFNZPPLBIRR-CQSZACIVSA-N 1 1 385.420 3.753 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@H]([C@H]4CCCCO4)C3)c2c(Cl)c1 ZINC000853571658 879129824 /nfs/dbraw/zinc/12/98/24/879129824.db2.gz MMFJFPXTWUGJDJ-SUMWQHHRSA-N 1 1 378.860 3.837 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H]([C@H]4CCCCO4)C3)c2c(Cl)c1 ZINC000853571658 879129832 /nfs/dbraw/zinc/12/98/32/879129832.db2.gz MMFJFPXTWUGJDJ-SUMWQHHRSA-N 1 1 378.860 3.837 20 5 GHBDMO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000538268322 879154640 /nfs/dbraw/zinc/15/46/40/879154640.db2.gz FVESFSCHNWYOHA-SFHVURJKSA-N 1 1 399.447 3.514 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000112115247 879695833 /nfs/dbraw/zinc/69/58/33/879695833.db2.gz VIJGOIGVPYRIHJ-MRXNPFEDSA-N 1 1 387.867 3.543 20 5 GHBDMO C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000494049375 879852949 /nfs/dbraw/zinc/85/29/49/879852949.db2.gz NQHYVGBSBZNDPL-AUUYWEPGSA-N 1 1 387.867 3.570 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(SC(F)F)cc3)C2)nc1 ZINC000112656542 880064671 /nfs/dbraw/zinc/06/46/71/880064671.db2.gz ZSINTIAOBVXZPR-CYBMUJFWSA-N 1 1 380.420 3.991 20 5 GHBDMO CCN(C(=O)c1cc([N+](=O)[O-])cc(C)c1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790953264 880098403 /nfs/dbraw/zinc/09/84/03/880098403.db2.gz XCWNMTYDFPYSSH-QGZVFWFLSA-N 1 1 385.439 3.779 20 5 GHBDMO O=C(c1cccc(Cl)c1)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064482351 881141161 /nfs/dbraw/zinc/14/11/61/881141161.db2.gz BDJSBPITYFVBLP-UHFFFAOYSA-N 1 1 387.867 3.639 20 5 GHBDMO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170296671 881317405 /nfs/dbraw/zinc/31/74/05/881317405.db2.gz HMWATFKTFJGKCH-HKUYNNGSSA-N 1 1 383.492 3.646 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2c1 ZINC000795720520 912704946 /nfs/dbraw/zinc/70/49/46/912704946.db2.gz QDIZKGLTCOUCCU-JOCHJYFZSA-N 1 1 391.475 3.500 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000805196274 883673841 /nfs/dbraw/zinc/67/38/41/883673841.db2.gz SGPPNLZRTMLJKE-UHFFFAOYSA-N 1 1 394.859 3.505 20 5 GHBDMO COC(=O)C(C)(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC001183728001 912758534 /nfs/dbraw/zinc/75/85/34/912758534.db2.gz ONIHFEUSCWCUDN-GOSISDBHSA-N 1 1 383.404 3.766 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000805792433 884075797 /nfs/dbraw/zinc/07/57/97/884075797.db2.gz DMFGQODNWLWDNR-OAQYLSRUSA-N 1 1 389.496 3.860 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000805764804 884095966 /nfs/dbraw/zinc/09/59/66/884095966.db2.gz KQQLRIRCSMSYTM-MRXNPFEDSA-N 1 1 393.484 3.873 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccccc1Cl ZINC000026224948 884189649 /nfs/dbraw/zinc/18/96/49/884189649.db2.gz LYMMRGOKEOXCAP-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)c1 ZINC001130458421 884264088 /nfs/dbraw/zinc/26/40/88/884264088.db2.gz MXUCIXVQRBZXNC-BBWFWOEESA-N 1 1 397.475 3.727 20 5 GHBDMO COc1cccc([C@@H](O)C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000860145398 884370572 /nfs/dbraw/zinc/37/05/72/884370572.db2.gz GNYRMHKTNDZCPC-NRFANRHFSA-N 1 1 386.448 3.558 20 5 GHBDMO CCO[C@]12CCC[C@@]1([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)CCO2 ZINC000897975039 884518438 /nfs/dbraw/zinc/51/84/38/884518438.db2.gz ZOUDOPJQINDTMP-KGLIPLIRSA-N 1 1 391.287 3.584 20 5 GHBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)OCCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000919264128 885219367 /nfs/dbraw/zinc/21/93/67/885219367.db2.gz HLKSSXCYIJAPLE-IRXDYDNUSA-N 1 1 398.459 3.604 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000026251038 885357463 /nfs/dbraw/zinc/35/74/63/885357463.db2.gz KDXHUMGEHVEOHF-LJQANCHMSA-N 1 1 383.448 3.941 20 5 GHBDMO C[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127504391 885931873 /nfs/dbraw/zinc/93/18/73/885931873.db2.gz FYECJJKRGQHQDG-VQIMIIECSA-N 1 1 399.466 3.693 20 5 GHBDMO CC[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000032446054 886544874 /nfs/dbraw/zinc/54/48/74/886544874.db2.gz RILNKEAKZGALHN-GOSISDBHSA-N 1 1 399.516 3.640 20 5 GHBDMO COc1cc(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-] ZINC000794594266 887615907 /nfs/dbraw/zinc/61/59/07/887615907.db2.gz KTMYAUJQHVOHBB-UHFFFAOYSA-N 1 1 391.468 3.579 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000794641189 887670089 /nfs/dbraw/zinc/67/00/89/887670089.db2.gz UEJSDSNFKZZODT-CQSZACIVSA-N 1 1 385.395 3.869 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000794641189 887670100 /nfs/dbraw/zinc/67/01/00/887670100.db2.gz UEJSDSNFKZZODT-CQSZACIVSA-N 1 1 385.395 3.869 20 5 GHBDMO COc1ccc(C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@H](C)C2CC2)cc1 ZINC000794623363 887689527 /nfs/dbraw/zinc/68/95/27/887689527.db2.gz LYDGVYCYRNLESV-CQSZACIVSA-N 1 1 397.431 3.770 20 5 GHBDMO C[N@@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)Cc1ccc(F)cc1 ZINC000809916083 887940851 /nfs/dbraw/zinc/94/08/51/887940851.db2.gz GEEQMVGOJRSNEA-UHFFFAOYSA-N 1 1 380.807 3.641 20 5 GHBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[N@@H+](C)Cc1ccccc1 ZINC000809919255 888002292 /nfs/dbraw/zinc/00/22/92/888002292.db2.gz ZAMAZBOWZSVQSH-CYBMUJFWSA-N 1 1 376.844 3.890 20 5 GHBDMO COc1cc(C[NH2+]Cc2nccs2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000194072189 888011805 /nfs/dbraw/zinc/01/18/05/888011805.db2.gz WXKFDDCMXAYTFL-UHFFFAOYSA-N 1 1 385.445 3.929 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000809995678 888051442 /nfs/dbraw/zinc/05/14/42/888051442.db2.gz UJLQETWFEZVHFI-QGZVFWFLSA-N 1 1 376.840 3.918 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000810034679 888113987 /nfs/dbraw/zinc/11/39/87/888113987.db2.gz WZOJDJWZGIFGGN-KRWDZBQOSA-N 1 1 391.468 3.627 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000810034679 888114004 /nfs/dbraw/zinc/11/40/04/888114004.db2.gz WZOJDJWZGIFGGN-KRWDZBQOSA-N 1 1 391.468 3.627 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000532700080 888319218 /nfs/dbraw/zinc/31/92/18/888319218.db2.gz GMIJPDMKTFDUCN-IJEWVQPXSA-N 1 1 394.903 3.524 20 5 GHBDMO O=c1[nH]cnc2cc(NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)c([N+](=O)[O-])cc12 ZINC000301110568 888471622 /nfs/dbraw/zinc/47/16/22/888471622.db2.gz MYWXMDRMUBXFIY-ZDUSSCGKSA-N 1 1 399.476 3.629 20 5 GHBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000810617756 888683710 /nfs/dbraw/zinc/68/37/10/888683710.db2.gz FXECGOHBGWWDEG-HUUCEWRRSA-N 1 1 386.452 3.582 20 5 GHBDMO O=C(c1ccccc1)c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000301144843 888934864 /nfs/dbraw/zinc/93/48/64/888934864.db2.gz FWBAUZJDXCTZNA-QGZVFWFLSA-N 1 1 376.416 3.933 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121226310 889034497 /nfs/dbraw/zinc/03/44/97/889034497.db2.gz FGKUPQGERGQPOR-SFHVURJKSA-N 1 1 380.448 3.749 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000532972181 889476487 /nfs/dbraw/zinc/47/64/87/889476487.db2.gz PMPCOXLTRGDWOJ-BEVDRBHNSA-N 1 1 389.496 3.757 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000811455633 889616953 /nfs/dbraw/zinc/61/69/53/889616953.db2.gz NNOXORBMIKKIRH-UHFFFAOYSA-N 1 1 387.392 3.700 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000811455633 889616955 /nfs/dbraw/zinc/61/69/55/889616955.db2.gz NNOXORBMIKKIRH-UHFFFAOYSA-N 1 1 387.392 3.700 20 5 GHBDMO CCNC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC000811473484 889659623 /nfs/dbraw/zinc/65/96/23/889659623.db2.gz APQBFRDLEXACMB-UHFFFAOYSA-N 1 1 382.247 3.941 20 5 GHBDMO COC(=O)COc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000811479772 889667406 /nfs/dbraw/zinc/66/74/06/889667406.db2.gz LLEAKCSXSBCSBH-UHFFFAOYSA-N 1 1 399.230 3.743 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000533297968 890237507 /nfs/dbraw/zinc/23/75/07/890237507.db2.gz RHASGYKTIKNLMQ-HLLBOEOZSA-N 1 1 383.448 3.808 20 5 GHBDMO C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378578 890385174 /nfs/dbraw/zinc/38/51/74/890385174.db2.gz MRIWXHRODRQSQU-DOMZBBRYSA-N 1 1 391.269 4.000 20 5 GHBDMO C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378578 890385186 /nfs/dbraw/zinc/38/51/86/890385186.db2.gz MRIWXHRODRQSQU-DOMZBBRYSA-N 1 1 391.269 4.000 20 5 GHBDMO C[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812298152 890545285 /nfs/dbraw/zinc/54/52/85/890545285.db2.gz IDSGWSLCHYFOOF-CABCVRRESA-N 1 1 383.374 3.864 20 5 GHBDMO C[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812298152 890545292 /nfs/dbraw/zinc/54/52/92/890545292.db2.gz IDSGWSLCHYFOOF-CABCVRRESA-N 1 1 383.374 3.864 20 5 GHBDMO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812296560 890545646 /nfs/dbraw/zinc/54/56/46/890545646.db2.gz BUUICNAIJBTRQT-KGLIPLIRSA-N 1 1 383.374 3.864 20 5 GHBDMO C[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812296560 890545658 /nfs/dbraw/zinc/54/56/58/890545658.db2.gz BUUICNAIJBTRQT-KGLIPLIRSA-N 1 1 383.374 3.864 20 5 GHBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834368 891019347 /nfs/dbraw/zinc/01/93/47/891019347.db2.gz CJNGVJULQFASMO-INIZCTEOSA-N 1 1 383.876 3.983 20 5 GHBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834368 891019357 /nfs/dbraw/zinc/01/93/57/891019357.db2.gz CJNGVJULQFASMO-INIZCTEOSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000812840264 891028615 /nfs/dbraw/zinc/02/86/15/891028615.db2.gz GZBDZXNDQLHGPT-DOEAQHAXSA-N 1 1 377.441 3.655 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850242 891043383 /nfs/dbraw/zinc/04/33/83/891043383.db2.gz SPEFSPKVOKIKFA-HRAATJIYSA-N 1 1 385.464 3.676 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000812854451 891048643 /nfs/dbraw/zinc/04/86/43/891048643.db2.gz XQSYFOJYYQNIRX-YJYMSZOUSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000812854451 891048655 /nfs/dbraw/zinc/04/86/55/891048655.db2.gz XQSYFOJYYQNIRX-YJYMSZOUSA-N 1 1 391.855 3.631 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000917090907 891097562 /nfs/dbraw/zinc/09/75/62/891097562.db2.gz AWLIPOCSDFMSEN-UHFFFAOYSA-N 1 1 376.460 3.503 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000872279307 891226860 /nfs/dbraw/zinc/22/68/60/891226860.db2.gz HPTFDGXTKQFCSO-DOTOQJQBSA-N 1 1 375.469 3.654 20 5 GHBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)c1 ZINC000813066170 891253559 /nfs/dbraw/zinc/25/35/59/891253559.db2.gz RROUIWKOJGVGHL-UHFFFAOYSA-N 1 1 395.246 3.567 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc([C@@H]2CCOC2)c1 ZINC000813171342 891333048 /nfs/dbraw/zinc/33/30/48/891333048.db2.gz UPONOIVEXXKUHX-CTNGQTDRSA-N 1 1 396.443 3.530 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc([C@@H]2CCOC2)c1 ZINC000813171342 891333064 /nfs/dbraw/zinc/33/30/64/891333064.db2.gz UPONOIVEXXKUHX-CTNGQTDRSA-N 1 1 396.443 3.530 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000813300573 891490677 /nfs/dbraw/zinc/49/06/77/891490677.db2.gz ZLLUGIOYEKRIHM-QGZVFWFLSA-N 1 1 385.439 3.766 20 5 GHBDMO Cc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000917211567 891629692 /nfs/dbraw/zinc/62/96/92/891629692.db2.gz FPBPRDSMLWGFFQ-SFHVURJKSA-N 1 1 396.491 3.751 20 5 GHBDMO Cc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000917211567 891629699 /nfs/dbraw/zinc/62/96/99/891629699.db2.gz FPBPRDSMLWGFFQ-SFHVURJKSA-N 1 1 396.491 3.751 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[C@@H](C)C[N@H+]1C ZINC000509684014 892784537 /nfs/dbraw/zinc/78/45/37/892784537.db2.gz JVVFBTRSLCVSFL-CABCVRRESA-N 1 1 385.489 3.911 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774838619 913708209 /nfs/dbraw/zinc/70/82/09/913708209.db2.gz VRLAVEWEDZYSFC-UHFFFAOYSA-N 1 1 384.436 3.519 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCOCc1ccccc1 ZINC000154638908 893095880 /nfs/dbraw/zinc/09/58/80/893095880.db2.gz LAQAHWDFVDNGFM-CQSZACIVSA-N 1 1 391.855 3.724 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCOCc1ccccc1 ZINC000154638908 893095892 /nfs/dbraw/zinc/09/58/92/893095892.db2.gz LAQAHWDFVDNGFM-CQSZACIVSA-N 1 1 391.855 3.724 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934335510 893554039 /nfs/dbraw/zinc/55/40/39/893554039.db2.gz IRBUMQADYWCSRD-OLZOCXBDSA-N 1 1 385.449 3.727 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778252488 893698285 /nfs/dbraw/zinc/69/82/85/893698285.db2.gz LABSHPAOOKQULT-VBQJREDUSA-N 1 1 381.423 3.550 20 5 GHBDMO CC[N@@H+](CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1)CC1CC1 ZINC000536737128 893701268 /nfs/dbraw/zinc/70/12/68/893701268.db2.gz SFVHKYHGVOLYRG-UHFFFAOYSA-N 1 1 375.513 3.937 20 5 GHBDMO CC[N@H+](CCC1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1)CC1CC1 ZINC000536737128 893701279 /nfs/dbraw/zinc/70/12/79/893701279.db2.gz SFVHKYHGVOLYRG-UHFFFAOYSA-N 1 1 375.513 3.937 20 5 GHBDMO CC[N@@H+](CCC1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1)CC1CC1 ZINC000536737128 893701290 /nfs/dbraw/zinc/70/12/90/893701290.db2.gz SFVHKYHGVOLYRG-UHFFFAOYSA-N 1 1 375.513 3.937 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)cc1 ZINC000878023184 893956964 /nfs/dbraw/zinc/95/69/64/893956964.db2.gz SELUXGBOTOLIEE-OAHLLOKOSA-N 1 1 380.404 3.643 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC001135345676 894394118 /nfs/dbraw/zinc/39/41/18/894394118.db2.gz APYJRJQRHJUAAL-UHFFFAOYSA-N 1 1 387.867 3.823 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)o1 ZINC000879035616 894799509 /nfs/dbraw/zinc/79/95/09/894799509.db2.gz OHFILOPLWJLXPE-NEPJUHHUSA-N 1 1 380.857 3.768 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1C ZINC001185565766 913958885 /nfs/dbraw/zinc/95/88/85/913958885.db2.gz URUDYLFSYGLAPK-GOSISDBHSA-N 1 1 397.475 3.791 20 5 GHBDMO Cc1csc([C@@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000880007532 895446338 /nfs/dbraw/zinc/44/63/38/895446338.db2.gz JCBOCFOAKXQWJO-GXTWGEPZSA-N 1 1 385.449 3.960 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000565444619 895630350 /nfs/dbraw/zinc/63/03/50/895630350.db2.gz LBESVWDUGQEBIP-FUHWJXTLSA-N 1 1 382.464 3.996 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1C ZINC000888827388 895786356 /nfs/dbraw/zinc/78/63/56/895786356.db2.gz SADZLUQVTIECJT-INIZCTEOSA-N 1 1 383.448 3.857 20 5 GHBDMO CC(C)(C)CC[NH+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000565768404 895863399 /nfs/dbraw/zinc/86/33/99/895863399.db2.gz BCXZMVKCIWJGDF-UHFFFAOYSA-N 1 1 391.515 3.875 20 5 GHBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001170892559 896089997 /nfs/dbraw/zinc/08/99/97/896089997.db2.gz ZJFLJURZAJFWRY-QGZVFWFLSA-N 1 1 399.285 3.911 20 5 GHBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001170892559 896090007 /nfs/dbraw/zinc/09/00/07/896090007.db2.gz ZJFLJURZAJFWRY-QGZVFWFLSA-N 1 1 399.285 3.911 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881306568 896284138 /nfs/dbraw/zinc/28/41/38/896284138.db2.gz LWBCNWSMSBPJMC-LJQANCHMSA-N 1 1 381.411 3.541 20 5 GHBDMO O=C(CCNC1CC[NH+](CC2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000818983907 896302535 /nfs/dbraw/zinc/30/25/35/896302535.db2.gz QNFGFEGOONZOGB-UHFFFAOYSA-N 1 1 388.512 3.558 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000881352578 896305314 /nfs/dbraw/zinc/30/53/14/896305314.db2.gz JWKNVHULGZOVMB-GOSISDBHSA-N 1 1 383.839 3.665 20 5 GHBDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819100977 896375132 /nfs/dbraw/zinc/37/51/32/896375132.db2.gz YCJTWJDKKXIAMD-QFIPXVFZSA-N 1 1 395.459 3.643 20 5 GHBDMO CCc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1[N+](=O)[O-] ZINC001136213177 896592976 /nfs/dbraw/zinc/59/29/76/896592976.db2.gz CCVUERRQPBCBSM-UHFFFAOYSA-N 1 1 396.491 3.547 20 5 GHBDMO CC1CC[NH+](c2ccc(NC[C@H](O)COc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000819395740 896619792 /nfs/dbraw/zinc/61/97/92/896619792.db2.gz SWKJHEGWIDVQSI-IBGZPJMESA-N 1 1 385.464 3.683 20 5 GHBDMO Cc1c(Br)cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001136225433 896773589 /nfs/dbraw/zinc/77/35/89/896773589.db2.gz BUKYWYRPBGIMHE-NWDGAFQWSA-N 1 1 398.301 3.516 20 5 GHBDMO C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000567137875 896905128 /nfs/dbraw/zinc/90/51/28/896905128.db2.gz YNGDILSOIZGUGL-QRWLVFNGSA-N 1 1 399.466 3.791 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCNc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000567599619 897284909 /nfs/dbraw/zinc/28/49/09/897284909.db2.gz MFRBBJQDKIENQF-LJQANCHMSA-N 1 1 383.427 3.649 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000822426378 898363534 /nfs/dbraw/zinc/36/35/34/898363534.db2.gz FMFXSJDMGUXCEI-HNAYVOBHSA-N 1 1 385.851 3.595 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+](CC)CCC(F)(F)F)cc1C ZINC001186089068 914297623 /nfs/dbraw/zinc/29/76/23/914297623.db2.gz LRBBPABTBGAYFY-UHFFFAOYSA-N 1 1 391.390 3.766 20 5 GHBDMO Cc1cnccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000823433714 899025341 /nfs/dbraw/zinc/02/53/41/899025341.db2.gz YSIHQKSDEWSOOZ-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO Cn1ccnc1[C@H](NCCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000570067810 899099342 /nfs/dbraw/zinc/09/93/42/899099342.db2.gz ZHIXZBXMIPINMP-HXUWFJFHSA-N 1 1 385.512 3.662 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000823974640 899337188 /nfs/dbraw/zinc/33/71/88/899337188.db2.gz SVQDNSPKCNRSME-NVXWUHKLSA-N 1 1 397.479 3.599 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1F ZINC000824658366 899741788 /nfs/dbraw/zinc/74/17/88/899741788.db2.gz ZAWLSKWPFICWEP-MJBXVCDLSA-N 1 1 381.423 3.659 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000824820352 899825740 /nfs/dbraw/zinc/82/57/40/899825740.db2.gz DJAKQPZWAQBBPT-HNNXBMFYSA-N 1 1 399.403 3.749 20 5 GHBDMO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1n1cccn1 ZINC000825118522 899989659 /nfs/dbraw/zinc/98/96/59/899989659.db2.gz TWFFBLFHJCHYHY-GVDBMIGSSA-N 1 1 378.860 3.732 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000843860155 900257544 /nfs/dbraw/zinc/25/75/44/900257544.db2.gz XCGACVMKKCDXHA-OAQYLSRUSA-N 1 1 385.439 3.827 20 5 GHBDMO COC(=O)/C=C\c1ccc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000772904627 900838509 /nfs/dbraw/zinc/83/85/09/900838509.db2.gz RPXAPHKGCSDMBB-NBEHIINDSA-N 1 1 375.469 3.561 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000070854436 901157160 /nfs/dbraw/zinc/15/71/60/901157160.db2.gz CUVRBCRZBCCNJS-ZDUSSCGKSA-N 1 1 389.839 3.894 20 5 GHBDMO O=C(CC[N@@H+]1CCCn2c(cc3ccccc32)C1)Nc1ccccc1[N+](=O)[O-] ZINC000576369757 901979093 /nfs/dbraw/zinc/97/90/93/901979093.db2.gz GRFOFCRFBBRJHI-UHFFFAOYSA-N 1 1 378.432 3.784 20 5 GHBDMO O=C(CC[N@H+]1CCCn2c(cc3ccccc32)C1)Nc1ccccc1[N+](=O)[O-] ZINC000576369757 901979108 /nfs/dbraw/zinc/97/91/08/901979108.db2.gz GRFOFCRFBBRJHI-UHFFFAOYSA-N 1 1 378.432 3.784 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)o2)c(Cl)c1 ZINC000577104726 902503335 /nfs/dbraw/zinc/50/33/35/902503335.db2.gz PYNBOSJKKLGHHM-LJQANCHMSA-N 1 1 392.839 3.890 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@]4(CCCOC4)C3)o2)c(Cl)c1 ZINC000577104726 902503340 /nfs/dbraw/zinc/50/33/40/902503340.db2.gz PYNBOSJKKLGHHM-LJQANCHMSA-N 1 1 392.839 3.890 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000779013163 902807323 /nfs/dbraw/zinc/80/73/23/902807323.db2.gz XGFSAHVNJHTSOP-WBVHZDCISA-N 1 1 385.439 3.683 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001147945494 903928978 /nfs/dbraw/zinc/92/89/78/903928978.db2.gz PVZCGDAEAXAIPB-AWEZNQCLSA-N 1 1 385.386 3.750 20 5 GHBDMO C[N@H+]1C[C@@H](CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001186815418 914829558 /nfs/dbraw/zinc/82/95/58/914829558.db2.gz WYKLTZCIRSCQOZ-QAPCUYQASA-N 1 1 396.878 3.976 20 5 GHBDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001171489617 904734271 /nfs/dbraw/zinc/73/42/71/904734271.db2.gz JYNPZMKRSVOBRU-LAUBAEHRSA-N 1 1 388.439 3.571 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001171521385 904798023 /nfs/dbraw/zinc/79/80/23/904798023.db2.gz GTHXTAVRCUQYEM-OCCSQVGLSA-N 1 1 382.432 3.542 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001171521385 904798028 /nfs/dbraw/zinc/79/80/28/904798028.db2.gz GTHXTAVRCUQYEM-OCCSQVGLSA-N 1 1 382.432 3.542 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@@H]1c1ccccc1 ZINC000365786298 921161447 /nfs/dbraw/zinc/16/14/47/921161447.db2.gz NHQOUKVVYKJVSK-GGAORHGYSA-N 1 1 397.478 3.857 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@@H]1c1ccccc1 ZINC000365786298 921161449 /nfs/dbraw/zinc/16/14/49/921161449.db2.gz NHQOUKVVYKJVSK-GGAORHGYSA-N 1 1 397.478 3.857 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365794761 921168592 /nfs/dbraw/zinc/16/85/92/921168592.db2.gz LDZJLJUJFUJCBG-NXEZZACHSA-N 1 1 380.317 3.683 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903142 905925282 /nfs/dbraw/zinc/92/52/82/905925282.db2.gz FPFYOFNIJGJALA-QRQLOZEOSA-N 1 1 387.480 3.536 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904553 905928946 /nfs/dbraw/zinc/92/89/46/905928946.db2.gz OKMWTHDESHKSFM-NEWSRXKRSA-N 1 1 387.480 3.536 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCO[C@H](COc3ccccc3)C1)CC2 ZINC001172920047 905990233 /nfs/dbraw/zinc/99/02/33/905990233.db2.gz IAZIYFNSXSJLJC-UGKGYDQZSA-N 1 1 382.460 3.622 20 5 GHBDMO COc1cccc2c1C[N@H+](C1CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC1)C2 ZINC001173015934 906094420 /nfs/dbraw/zinc/09/44/20/906094420.db2.gz XCYQOVYGEGCBRW-UHFFFAOYSA-N 1 1 389.402 3.866 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1F ZINC001173189685 906269227 /nfs/dbraw/zinc/26/92/27/906269227.db2.gz LTFRTRUBSBIFKC-UONOGXRCSA-N 1 1 396.459 3.727 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H](OCc3ccccc3)C2)c1F ZINC001173190319 906271713 /nfs/dbraw/zinc/27/17/13/906271713.db2.gz SRWPCUIIPIYHJM-WBVHZDCISA-N 1 1 388.439 3.965 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](OCc3ccccc3)C2)c1F ZINC001173190317 906271860 /nfs/dbraw/zinc/27/18/60/906271860.db2.gz SRWPCUIIPIYHJM-NVXWUHKLSA-N 1 1 388.439 3.965 20 5 GHBDMO CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173222090 906299720 /nfs/dbraw/zinc/29/97/20/906299720.db2.gz PAKVXILZQSBVQE-MRXNPFEDSA-N 1 1 398.507 3.727 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 ZINC001173223571 906304178 /nfs/dbraw/zinc/30/41/78/906304178.db2.gz AYRPZNBMFGFXFH-YWZLYKJASA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001173228763 906313433 /nfs/dbraw/zinc/31/34/33/906313433.db2.gz ZRWCYWOODWHQGG-BULFRSBZSA-N 1 1 397.475 3.623 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001173230048 906314555 /nfs/dbraw/zinc/31/45/55/906314555.db2.gz YRNAQBHVLFDARV-SUMDDJOVSA-N 1 1 386.521 3.579 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001173231090 906316113 /nfs/dbraw/zinc/31/61/13/906316113.db2.gz JNBOEMUZXHFWJY-RDJZCZTQSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001173238438 906349430 /nfs/dbraw/zinc/34/94/30/906349430.db2.gz SOFZQCHPHFQHBZ-FOIQADDNSA-N 1 1 377.485 3.763 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000181661661 907050542 /nfs/dbraw/zinc/05/05/42/907050542.db2.gz LZHBLVBCGSKPHI-KBPBESRZSA-N 1 1 377.510 3.700 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181748005 907067695 /nfs/dbraw/zinc/06/76/95/907067695.db2.gz AKUFKUKGJWJZRB-UHFFFAOYSA-N 1 1 381.904 3.965 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001174749532 907206445 /nfs/dbraw/zinc/20/64/45/907206445.db2.gz NHIOCKYCUWKPHJ-JOCHJYFZSA-N 1 1 383.492 3.816 20 5 GHBDMO CC(C)[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001174749532 907206456 /nfs/dbraw/zinc/20/64/56/907206456.db2.gz NHIOCKYCUWKPHJ-JOCHJYFZSA-N 1 1 383.492 3.816 20 5 GHBDMO CC[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000183013382 907313041 /nfs/dbraw/zinc/31/30/41/907313041.db2.gz LHQMGGKVOOXZFT-WOJBJXKFSA-N 1 1 382.464 3.608 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1OC(F)F ZINC000184018943 907501557 /nfs/dbraw/zinc/50/15/57/907501557.db2.gz ODNNDUYSBSARFA-SNVBAGLBSA-N 1 1 387.408 3.897 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3cc(Cl)ccc3C2)c([N+](=O)[O-])c1 ZINC000192242386 907556612 /nfs/dbraw/zinc/55/66/12/907556612.db2.gz QCDNWNJHBHUXSM-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001176610090 908184625 /nfs/dbraw/zinc/18/46/25/908184625.db2.gz LXYGHYUKUUVJAI-AOMKIAJQSA-N 1 1 393.443 3.862 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001176610090 908184628 /nfs/dbraw/zinc/18/46/28/908184628.db2.gz LXYGHYUKUUVJAI-AOMKIAJQSA-N 1 1 393.443 3.862 20 5 GHBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176932801 908306521 /nfs/dbraw/zinc/30/65/21/908306521.db2.gz RKUCNHIMMYHHKH-UHFFFAOYSA-N 1 1 381.448 3.955 20 5 GHBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000193669483 908614270 /nfs/dbraw/zinc/61/42/70/908614270.db2.gz NCIVBJNZSJSGNO-OAHLLOKOSA-N 1 1 398.246 3.817 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000795219231 909355715 /nfs/dbraw/zinc/35/57/15/909355715.db2.gz DJSKGDRACZAYJK-UHFFFAOYSA-N 1 1 392.799 3.620 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc4ccnc(Cl)c4s3)C2)nc1 ZINC001179937659 909815921 /nfs/dbraw/zinc/81/59/21/909815921.db2.gz NZVVAGOUNJRQEF-LBPRGKRZSA-N 1 1 389.868 3.939 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001180249323 910045583 /nfs/dbraw/zinc/04/55/83/910045583.db2.gz IJNHEVIECDITIR-VBKFSLOCSA-N 1 1 382.420 3.729 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000246132457 910122113 /nfs/dbraw/zinc/12/21/13/910122113.db2.gz VJHGSHWFWRGUDI-FZKQIMNGSA-N 1 1 391.468 3.917 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001180430960 910137840 /nfs/dbraw/zinc/13/78/40/910137840.db2.gz OUWWPHGPNMIZBB-HSALFYBXSA-N 1 1 393.487 3.934 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001180445280 910144450 /nfs/dbraw/zinc/14/44/50/910144450.db2.gz MFTOPEVEMIRFOU-SSZFMOIBSA-N 1 1 382.420 3.729 20 5 GHBDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000795398591 910202316 /nfs/dbraw/zinc/20/23/16/910202316.db2.gz XICJBJJROKNQRW-ORAYPTAESA-N 1 1 393.846 3.631 20 5 GHBDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000795398591 910202327 /nfs/dbraw/zinc/20/23/27/910202327.db2.gz XICJBJJROKNQRW-ORAYPTAESA-N 1 1 393.846 3.631 20 5 GHBDMO C[C@H]1CCCCC[N@@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795429491 910278694 /nfs/dbraw/zinc/27/86/94/910278694.db2.gz UCNMLBMDFPXULN-NSHDSACASA-N 1 1 382.258 3.535 20 5 GHBDMO C[C@H]1CCCCC[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795429491 910278704 /nfs/dbraw/zinc/27/87/04/910278704.db2.gz UCNMLBMDFPXULN-NSHDSACASA-N 1 1 382.258 3.535 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283088335 911365199 /nfs/dbraw/zinc/36/51/99/911365199.db2.gz LBPRFIBFWQSVEV-HNNXBMFYSA-N 1 1 387.867 3.842 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000802009106 921749501 /nfs/dbraw/zinc/74/95/01/921749501.db2.gz MOEPZGMHDPWJPZ-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO Cc1cc(N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)c(F)cc1[N+](=O)[O-] ZINC001187429931 915285430 /nfs/dbraw/zinc/28/54/30/915285430.db2.gz GLJKYLKWYMJWOG-JTSKRJEESA-N 1 1 399.466 3.912 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292885734 915888953 /nfs/dbraw/zinc/88/89/53/915888953.db2.gz WCPPCTPXPZGFCA-AWEZNQCLSA-N 1 1 393.365 3.618 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000360341024 916069302 /nfs/dbraw/zinc/06/93/02/916069302.db2.gz BRKLQUHJWZRCJU-ZBFHGGJFSA-N 1 1 379.420 3.665 20 5 GHBDMO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000775181306 916071769 /nfs/dbraw/zinc/07/17/69/916071769.db2.gz RSBVSTHVUKSBHD-UHFFFAOYSA-N 1 1 398.423 3.503 20 5 GHBDMO Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(-c3csc([N+](=O)[O-])c3)n2)c1 ZINC001212970607 916119875 /nfs/dbraw/zinc/11/98/75/916119875.db2.gz YTEUCMWPSXCZMV-UHFFFAOYSA-N 1 1 395.400 3.761 20 5 GHBDMO Cc1ccccc1[C@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000796419698 916835092 /nfs/dbraw/zinc/83/50/92/916835092.db2.gz TWYCOVVYBAQNIP-HRAATJIYSA-N 1 1 397.475 3.676 20 5 GHBDMO C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+](C2CC2)C1 ZINC000295319168 917267243 /nfs/dbraw/zinc/26/72/43/917267243.db2.gz KYSHLIZEKLGKJU-OAHLLOKOSA-N 1 1 375.472 3.650 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC001191084553 917773477 /nfs/dbraw/zinc/77/34/77/917773477.db2.gz AUVSSHSSTDBBDC-IUODEOHRSA-N 1 1 386.233 3.964 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC001191084553 917773485 /nfs/dbraw/zinc/77/34/85/917773485.db2.gz AUVSSHSSTDBBDC-IUODEOHRSA-N 1 1 386.233 3.964 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001191155954 917789540 /nfs/dbraw/zinc/78/95/40/917789540.db2.gz JIEWXYVWTFGQKI-SJLPKXTDSA-N 1 1 379.460 3.670 20 5 GHBDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000796499317 917861978 /nfs/dbraw/zinc/86/19/78/917861978.db2.gz KHVIZGJSYOQNQN-SFHVURJKSA-N 1 1 380.803 3.955 20 5 GHBDMO O=C(C[NH+]1CCC(Cc2ccccc2F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001191519703 918040549 /nfs/dbraw/zinc/04/05/49/918040549.db2.gz BKZBSUHKBLJFHX-UHFFFAOYSA-N 1 1 397.450 3.578 20 5 GHBDMO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000363797458 918874203 /nfs/dbraw/zinc/87/42/03/918874203.db2.gz OVUHHZRJGRXYGY-ZBEGNZNMSA-N 1 1 388.811 3.682 20 5 GHBDMO Cc1c[nH+]cn1C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000364355763 919369365 /nfs/dbraw/zinc/36/93/65/919369365.db2.gz QAHSWYMUIPPCBN-UHFFFAOYSA-N 1 1 394.884 3.709 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000365172568 920469697 /nfs/dbraw/zinc/46/96/97/920469697.db2.gz VHLYITAOMPEBEW-DYESRHJHSA-N 1 1 391.431 3.594 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)o2)cc1 ZINC000368095900 922470549 /nfs/dbraw/zinc/47/05/49/922470549.db2.gz UJYWHQTWAANHIC-NRFANRHFSA-N 1 1 392.415 3.615 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)o2)cc1 ZINC000368095900 922470578 /nfs/dbraw/zinc/47/05/78/922470578.db2.gz UJYWHQTWAANHIC-NRFANRHFSA-N 1 1 392.415 3.615 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000803535282 923074339 /nfs/dbraw/zinc/07/43/39/923074339.db2.gz WVOGSFGGMZYXCT-NRFANRHFSA-N 1 1 399.878 3.986 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000369577307 923450363 /nfs/dbraw/zinc/45/03/63/923450363.db2.gz MQXAAIACTGWVPK-UGSOOPFHSA-N 1 1 398.394 3.998 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000369577307 923450372 /nfs/dbraw/zinc/45/03/72/923450372.db2.gz MQXAAIACTGWVPK-UGSOOPFHSA-N 1 1 398.394 3.998 20 5 GHBDMO O=C1CCC2=C(CC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)N1 ZINC000826780647 924180523 /nfs/dbraw/zinc/18/05/23/924180523.db2.gz NQVUSMSDRUFMCK-UHFFFAOYSA-N 1 1 397.406 3.896 20 5 GHBDMO O=C1CCC2=C(CC[N@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)N1 ZINC000826780647 924180530 /nfs/dbraw/zinc/18/05/30/924180530.db2.gz NQVUSMSDRUFMCK-UHFFFAOYSA-N 1 1 397.406 3.896 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000411125328 926089603 /nfs/dbraw/zinc/08/96/03/926089603.db2.gz KEPOVKAIWGUBKV-ZDUSSCGKSA-N 1 1 375.400 3.764 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827913437 926263182 /nfs/dbraw/zinc/26/31/82/926263182.db2.gz YKCHSHOCYRMOOB-WMZOPIPTSA-N 1 1 399.894 3.955 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827913437 926263190 /nfs/dbraw/zinc/26/31/90/926263190.db2.gz YKCHSHOCYRMOOB-WMZOPIPTSA-N 1 1 399.894 3.955 20 5 GHBDMO CC(=O)c1ccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000725792096 926439826 /nfs/dbraw/zinc/43/98/26/926439826.db2.gz UQXMHUJVENZMAI-UHFFFAOYSA-N 1 1 381.476 3.942 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000411619292 926568180 /nfs/dbraw/zinc/56/81/80/926568180.db2.gz OKRDAUSPWUVGAQ-CQSZACIVSA-N 1 1 389.374 3.595 20 5 GHBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000374366934 927058823 /nfs/dbraw/zinc/05/88/23/927058823.db2.gz PEGAIIQEXHIOHA-KRWDZBQOSA-N 1 1 376.416 3.553 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000749419937 927096579 /nfs/dbraw/zinc/09/65/79/927096579.db2.gz HTSRWQKEEZVRBW-VTYRTOMDSA-N 1 1 379.460 3.635 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749951068 927367210 /nfs/dbraw/zinc/36/72/10/927367210.db2.gz XTNXMUAVQNAOPI-SFHVURJKSA-N 1 1 379.464 3.869 20 5 GHBDMO Cc1nn(C[N@H+](CCc2ccc(F)cc2)CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749949879 927367366 /nfs/dbraw/zinc/36/73/66/927367366.db2.gz QFXGVTRWGAJJEW-UHFFFAOYSA-N 1 1 385.443 3.945 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750097443 927432357 /nfs/dbraw/zinc/43/23/57/927432357.db2.gz WBXWYFGUPAYYJW-PMACEKPBSA-N 1 1 380.448 3.742 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750097443 927432364 /nfs/dbraw/zinc/43/23/64/927432364.db2.gz WBXWYFGUPAYYJW-PMACEKPBSA-N 1 1 380.448 3.742 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H](O)c3ccccc3)n2)cc1 ZINC000750609080 927748160 /nfs/dbraw/zinc/74/81/60/927748160.db2.gz PONFORCLRQCSHN-AZUAARDMSA-N 1 1 394.431 3.733 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](c4nc(C5CC5)no4)C3)o2)c1 ZINC000375472655 928342745 /nfs/dbraw/zinc/34/27/45/928342745.db2.gz UEPKMQUYUFHXND-HNNXBMFYSA-N 1 1 395.419 3.542 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(CC)CC ZINC000751959310 928511785 /nfs/dbraw/zinc/51/17/85/928511785.db2.gz KNGWCMSMZAJAPE-IAGOWNOFSA-N 1 1 375.473 3.521 20 5 GHBDMO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc([S@@](C)=O)cc1 ZINC000543908430 928559329 /nfs/dbraw/zinc/55/93/29/928559329.db2.gz HTPUMCNZNJXOHE-JGTBNHKDSA-N 1 1 385.445 3.838 20 5 GHBDMO CC[C@@H](CO)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000544408355 929139201 /nfs/dbraw/zinc/13/92/01/929139201.db2.gz LZYZTQITFPIXBR-SFHVURJKSA-N 1 1 385.464 3.505 20 5 GHBDMO CC[C@H]1C[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000467562829 929204615 /nfs/dbraw/zinc/20/46/15/929204615.db2.gz NLHKRRDNXVIEEV-ZDUSSCGKSA-N 1 1 392.374 3.545 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000467562829 929204631 /nfs/dbraw/zinc/20/46/31/929204631.db2.gz NLHKRRDNXVIEEV-ZDUSSCGKSA-N 1 1 392.374 3.545 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000469424393 929874098 /nfs/dbraw/zinc/87/40/98/929874098.db2.gz MZOGMQYKPHTVON-HXUWFJFHSA-N 1 1 398.507 3.893 20 5 GHBDMO C[N@@H+](CCCOC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccccc1 ZINC000759436343 930367316 /nfs/dbraw/zinc/36/73/16/930367316.db2.gz IZZXIDIVYNKGRL-UHFFFAOYSA-N 1 1 381.432 3.684 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+]C(C)(C)c2cnn(C)c2)cc1OC ZINC000546704601 930369468 /nfs/dbraw/zinc/36/94/68/930369468.db2.gz DJFMKTSZABFWIS-CQSZACIVSA-N 1 1 390.484 3.787 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000470178178 930435956 /nfs/dbraw/zinc/43/59/56/930435956.db2.gz XBEXUBWGPXDQPS-VBKFSLOCSA-N 1 1 385.489 3.908 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000470178178 930435959 /nfs/dbraw/zinc/43/59/59/930435959.db2.gz XBEXUBWGPXDQPS-VBKFSLOCSA-N 1 1 385.489 3.908 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000470211998 930456752 /nfs/dbraw/zinc/45/67/52/930456752.db2.gz PBRJPNNSNJEKEJ-MNDPQUGUSA-N 1 1 387.524 3.823 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12)Nc1cc([N+](=O)[O-])ccc1F ZINC000782542066 931262771 /nfs/dbraw/zinc/26/27/71/931262771.db2.gz JVRRDDODAKJEIU-NRFANRHFSA-N 1 1 399.422 3.584 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c1 ZINC000557461561 931446863 /nfs/dbraw/zinc/44/68/63/931446863.db2.gz VHEPOELUNWPHMY-SFHVURJKSA-N 1 1 379.416 3.757 20 5 GHBDMO O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000783783776 931654237 /nfs/dbraw/zinc/65/42/37/931654237.db2.gz DBKFIVKPFWUZOB-INIZCTEOSA-N 1 1 390.386 3.828 20 5 GHBDMO COc1c(C(=O)O[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000796825590 932081007 /nfs/dbraw/zinc/08/10/07/932081007.db2.gz IMXVRCMESGYWAQ-WBVHZDCISA-N 1 1 384.432 3.671 20 5 GHBDMO CCNc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000797080911 932175093 /nfs/dbraw/zinc/17/50/93/932175093.db2.gz JHVLAKWZKHVHIU-YLJYHZDGSA-N 1 1 394.475 3.783 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(N4CCc5cc(F)ccc54)CC3)nc2c1 ZINC000558730008 932197584 /nfs/dbraw/zinc/19/75/84/932197584.db2.gz LOXXDDROQXQKLO-UHFFFAOYSA-N 1 1 396.422 3.902 20 5 GHBDMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558738992 932204704 /nfs/dbraw/zinc/20/47/04/932204704.db2.gz AWPCOWQGBCAUGQ-GOSISDBHSA-N 1 1 387.505 3.667 20 5 GHBDMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558738992 932204711 /nfs/dbraw/zinc/20/47/11/932204711.db2.gz AWPCOWQGBCAUGQ-GOSISDBHSA-N 1 1 387.505 3.667 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)c1 ZINC000558762564 932218278 /nfs/dbraw/zinc/21/82/78/932218278.db2.gz TWIRHUWOFUWTOA-GOSISDBHSA-N 1 1 397.475 3.560 20 5 GHBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCSC1 ZINC000559247816 932548882 /nfs/dbraw/zinc/54/88/82/932548882.db2.gz JBQQZQTWSAXQKP-AWEZNQCLSA-N 1 1 378.416 3.958 20 5 GHBDMO C[C@@]1(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000798525508 932690096 /nfs/dbraw/zinc/69/00/96/932690096.db2.gz WRZQWBCTPDJWDX-FQEVSTJZSA-N 1 1 389.402 3.515 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798529773 932693398 /nfs/dbraw/zinc/69/33/98/932693398.db2.gz WMCVBGBUPRXNGH-JOCHJYFZSA-N 1 1 397.475 3.636 20 5 GHBDMO C[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000799179843 932901811 /nfs/dbraw/zinc/90/18/11/932901811.db2.gz WOMBCUQOBVPYJW-HXUWFJFHSA-N 1 1 386.427 3.768 20 5 GHBDMO Cc1cc(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000799225619 932924340 /nfs/dbraw/zinc/92/43/40/932924340.db2.gz NHBJXWUGQWDPRP-NRFANRHFSA-N 1 1 382.464 3.937 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@](C)(CO)C2)cc1OC ZINC001116530075 933613678 /nfs/dbraw/zinc/61/36/78/933613678.db2.gz CUKBVBUSCJUXCI-MGPUTAFESA-N 1 1 380.485 3.623 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@](C)(CO)C2)cc1OC ZINC001116530075 933613683 /nfs/dbraw/zinc/61/36/83/933613683.db2.gz CUKBVBUSCJUXCI-MGPUTAFESA-N 1 1 380.485 3.623 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001116604620 933658890 /nfs/dbraw/zinc/65/88/90/933658890.db2.gz SLKKYIICQAKKGB-QUCCMNQESA-N 1 1 396.491 3.970 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001116666934 933694019 /nfs/dbraw/zinc/69/40/19/933694019.db2.gz YVAYVUNDSXJSNR-RDJZCZTQSA-N 1 1 389.452 3.631 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001116666934 933694020 /nfs/dbraw/zinc/69/40/20/933694020.db2.gz YVAYVUNDSXJSNR-RDJZCZTQSA-N 1 1 389.452 3.631 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931930605 934767983 /nfs/dbraw/zinc/76/79/83/934767983.db2.gz WVCCUOOGOMTTQQ-ZVGUJKQYSA-N 1 1 376.416 3.979 20 5 GHBDMO C[C@@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001122251774 934849884 /nfs/dbraw/zinc/84/98/84/934849884.db2.gz ADBBEDBTGBYGFR-MRVPVSSYSA-N 1 1 396.266 3.513 20 5 GHBDMO Cc1ccc(C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000829854462 935872821 /nfs/dbraw/zinc/87/28/21/935872821.db2.gz IGJVJOBUXMAQJB-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000829854462 935872822 /nfs/dbraw/zinc/87/28/22/935872822.db2.gz IGJVJOBUXMAQJB-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO CCOc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC001625998777 1014667455 /nfs/dbraw/zinc/66/74/55/1014667455.db2.gz HZLDUYVVDJTSCV-KRWDZBQOSA-N 1 1 390.484 3.912 20 5 GHBDMO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227245788 1032341294 /nfs/dbraw/zinc/34/12/94/1032341294.db2.gz BOMJPYIGWRTCEX-VXGBXAGGSA-N 1 1 382.342 3.618 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227245788 1032341305 /nfs/dbraw/zinc/34/13/05/1032341305.db2.gz BOMJPYIGWRTCEX-VXGBXAGGSA-N 1 1 382.342 3.618 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001227339042 1032380517 /nfs/dbraw/zinc/38/05/17/1032380517.db2.gz XOXFWECNWKIZPU-ARFHVFGLSA-N 1 1 388.855 3.636 20 5 GHBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc3cc(Cl)c([N+](=O)[O-])cc31)C2 ZINC001227363340 1032389746 /nfs/dbraw/zinc/38/97/46/1032389746.db2.gz BYLBAXJHFPRIIB-ITGUQSILSA-N 1 1 376.844 3.974 20 5 GHBDMO Cn1cc([C@@H]2CCCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000560195893 1017571068 /nfs/dbraw/zinc/57/10/68/1017571068.db2.gz GUYNOEFCWFNMEJ-SFHVURJKSA-N 1 1 381.436 3.753 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000560395165 1017609127 /nfs/dbraw/zinc/60/91/27/1017609127.db2.gz GBJSCAGJBHXNMI-UHFFFAOYSA-N 1 1 388.493 3.806 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc([N+](=O)[O-])ccc3C)C2)s1 ZINC000560483553 1017639984 /nfs/dbraw/zinc/63/99/84/1017639984.db2.gz JIQGDOLZXDBMPK-INIZCTEOSA-N 1 1 387.505 3.867 20 5 GHBDMO CC(C)(C)[C@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795451520 1021068639 /nfs/dbraw/zinc/06/86/39/1021068639.db2.gz PNCJBXILXKMZNF-LBPRGKRZSA-N 1 1 396.285 3.639 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)c2ncc([N+](=O)[O-])cc2C)cc1 ZINC001156292545 1032961087 /nfs/dbraw/zinc/96/10/87/1032961087.db2.gz OEHVORNFOBVSLA-GOSISDBHSA-N 1 1 384.480 3.798 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3cc(F)cc(F)c3[N+](=O)[O-])[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001228611660 1033006129 /nfs/dbraw/zinc/00/61/29/1033006129.db2.gz NVCUBBCFGFCOSN-QGTPRVQTSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3cc(F)cc(F)c3[N+](=O)[O-])[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001228611660 1033006143 /nfs/dbraw/zinc/00/61/43/1033006143.db2.gz NVCUBBCFGFCOSN-QGTPRVQTSA-N 1 1 388.370 3.626 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000755047825 1023043296 /nfs/dbraw/zinc/04/32/96/1023043296.db2.gz KDNIFCFQIXHAPZ-ZBFHGGJFSA-N 1 1 393.484 3.729 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000755426134 1023243745 /nfs/dbraw/zinc/24/37/45/1023243745.db2.gz VPGFKAJSPMIKPK-PVGBUVFQSA-N 1 1 379.460 3.731 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000755426140 1023243965 /nfs/dbraw/zinc/24/39/65/1023243965.db2.gz VPGFKAJSPMIKPK-UEBLJOKOSA-N 1 1 379.460 3.731 20 5 GHBDMO Cc1ccc(CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000836781161 1023363455 /nfs/dbraw/zinc/36/34/55/1023363455.db2.gz HMARMDLCHOTSAY-UHFFFAOYSA-N 1 1 388.855 3.790 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000755879416 1023416489 /nfs/dbraw/zinc/41/64/89/1023416489.db2.gz MCVYNLPXIRROKX-RDJZCZTQSA-N 1 1 384.432 3.671 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000756287111 1023578965 /nfs/dbraw/zinc/57/89/65/1023578965.db2.gz LKECLWQOTUYHKW-HXUWFJFHSA-N 1 1 382.460 3.983 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756919724 1023865672 /nfs/dbraw/zinc/86/56/72/1023865672.db2.gz HHIZYLNVVIDLBE-CQSZACIVSA-N 1 1 382.892 3.560 20 5 GHBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3[nH]c4c(c3c1)C[N@H+](C)CC4)CC2 ZINC000831680616 1024731936 /nfs/dbraw/zinc/73/19/36/1024731936.db2.gz APFFZKKRDSBUHB-UHFFFAOYSA-N 1 1 390.443 3.575 20 5 GHBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3[nH]c4c(c3c1)C[N@@H+](C)CC4)CC2 ZINC000831680616 1024731953 /nfs/dbraw/zinc/73/19/53/1024731953.db2.gz APFFZKKRDSBUHB-UHFFFAOYSA-N 1 1 390.443 3.575 20 5 GHBDMO COC(=O)c1c(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC001229050512 1033250586 /nfs/dbraw/zinc/25/05/86/1033250586.db2.gz ZNOKHMFZOCNAPM-OAHLLOKOSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1c(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC001229050512 1033250599 /nfs/dbraw/zinc/25/05/99/1033250599.db2.gz ZNOKHMFZOCNAPM-OAHLLOKOSA-N 1 1 388.395 3.564 20 5 GHBDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000838383891 1025104950 /nfs/dbraw/zinc/10/49/50/1025104950.db2.gz QPAPWMSFVMYIAQ-UHFFFAOYSA-N 1 1 380.404 3.799 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c([N+](=O)[O-])c1 ZINC000839074335 1025569801 /nfs/dbraw/zinc/56/98/01/1025569801.db2.gz OMQZULISMGJGNT-IBGZPJMESA-N 1 1 385.420 3.887 20 5 GHBDMO O=[N+]([O-])c1cc2c(nc1NCC1(C[NH+]3CCOCC3)CCCCC1)CCCC2 ZINC001162731485 1025895957 /nfs/dbraw/zinc/89/59/57/1025895957.db2.gz CWWYJBBALLKIOY-UHFFFAOYSA-N 1 1 388.512 3.563 20 5 GHBDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC001162867066 1025947171 /nfs/dbraw/zinc/94/71/71/1025947171.db2.gz FVQMEQQLVRUZHA-KUHUBIRLSA-N 1 1 387.459 3.569 20 5 GHBDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC001162867066 1025947173 /nfs/dbraw/zinc/94/71/73/1025947173.db2.gz FVQMEQQLVRUZHA-KUHUBIRLSA-N 1 1 387.459 3.569 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)c3ncc(Cl)cc3[N+](=O)[O-])C2)s1 ZINC001163643540 1026263985 /nfs/dbraw/zinc/26/39/85/1026263985.db2.gz UBKPPIWUYQQECX-CYBMUJFWSA-N 1 1 380.901 3.971 20 5 GHBDMO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c3ccccc3cc3ccccc32)N1 ZINC001141727771 1026359126 /nfs/dbraw/zinc/35/91/26/1026359126.db2.gz DXIKCSMSSJWDFE-QLCVBSLISA-N 1 1 385.467 3.698 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001461100303 1069389131 /nfs/dbraw/zinc/38/91/31/1069389131.db2.gz HOBDUBZDJWUQLK-CYBMUJFWSA-N 1 1 384.318 3.957 20 5 GHBDMO O=[N+]([O-])c1cccc2cnc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC001164492591 1026530884 /nfs/dbraw/zinc/53/08/84/1026530884.db2.gz NFJFRFCYPXNWLJ-IPMKNSEASA-N 1 1 389.459 3.861 20 5 GHBDMO C[C@@H]1CN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165202894 1026664583 /nfs/dbraw/zinc/66/45/83/1026664583.db2.gz QDWNOSZEYJCJBD-KNJKRIMISA-N 1 1 395.507 3.621 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001165606543 1026776343 /nfs/dbraw/zinc/77/63/43/1026776343.db2.gz QAGDIHXQDMTNPQ-HXUWFJFHSA-N 1 1 395.503 3.909 20 5 GHBDMO COc1cccc(-c2noc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])n2)c1 ZINC001216552930 1029683505 /nfs/dbraw/zinc/68/35/05/1029683505.db2.gz PCAGSNNXZZXRQQ-UHFFFAOYSA-N 1 1 377.360 3.815 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Br ZINC000843127001 1029817926 /nfs/dbraw/zinc/81/79/26/1029817926.db2.gz NVOORRHTPRWNJW-CABCVRRESA-N 1 1 382.302 3.569 20 5 GHBDMO COc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001461593550 1069627887 /nfs/dbraw/zinc/62/78/87/1069627887.db2.gz BBLJEWRASQLMGG-FQEVSTJZSA-N 1 1 397.475 3.586 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001222772558 1030302744 /nfs/dbraw/zinc/30/27/44/1030302744.db2.gz DRWCZQDQSGNZRR-IERDGZPVSA-N 1 1 398.459 3.809 20 5 GHBDMO CC(C)=CCc1c(O)cc(OC2CC[NH2+]CC2)c2c(=O)c3cccc(O)c3oc12 ZINC001217965055 1030692466 /nfs/dbraw/zinc/69/24/66/1030692466.db2.gz MDTXJKZQKQOXQL-UHFFFAOYSA-N 1 1 395.455 3.997 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@@H]1C=CC[NH2+]C1 ZINC001218338234 1030901259 /nfs/dbraw/zinc/90/12/59/1030901259.db2.gz ULEFFTBPMMZZKC-OAHLLOKOSA-N 1 1 393.439 3.773 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCO[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC001224778053 1031115125 /nfs/dbraw/zinc/11/51/25/1031115125.db2.gz JCBWVGSCKHJIED-GOSISDBHSA-N 1 1 376.840 3.918 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCO[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC001224778445 1031116686 /nfs/dbraw/zinc/11/66/86/1031116686.db2.gz LOJHRADZJPBICQ-STZQEDGTSA-N 1 1 382.460 3.901 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1nccc2cc[nH]c21 ZINC001152248497 1031157256 /nfs/dbraw/zinc/15/72/56/1031157256.db2.gz JXCDZUSFUAJVJI-UHFFFAOYSA-N 1 1 397.438 3.820 20 5 GHBDMO Cc1ccc(CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001225059967 1031235010 /nfs/dbraw/zinc/23/50/10/1031235010.db2.gz PVPUVBIOHJJFLG-UHFFFAOYSA-N 1 1 396.491 3.539 20 5 GHBDMO Cc1ccc(N2CCC(Oc3ncc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[nH+]c1 ZINC001225847222 1031648773 /nfs/dbraw/zinc/64/87/73/1031648773.db2.gz PGEIJQFCJGUBFA-UHFFFAOYSA-N 1 1 382.342 3.760 20 5 GHBDMO O=[N+]([O-])c1ccc(F)c(F)c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001225963459 1031719410 /nfs/dbraw/zinc/71/94/10/1031719410.db2.gz RYQDNXFRTWYXIH-HNNXBMFYSA-N 1 1 378.375 3.543 20 5 GHBDMO N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220501567 1031966965 /nfs/dbraw/zinc/96/69/65/1031966965.db2.gz QUYIULWYTCFBQE-BJKOFHAPSA-N 1 1 383.495 3.679 20 5 GHBDMO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001157524222 1033638663 /nfs/dbraw/zinc/63/86/63/1033638663.db2.gz LDSMNTDEVLGVPJ-UYAOXDASSA-N 1 1 395.503 3.769 20 5 GHBDMO CCOC(=O)N1CCC(C)(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC001461864701 1069806522 /nfs/dbraw/zinc/80/65/22/1069806522.db2.gz IQJJQODMCCATQS-UHFFFAOYSA-N 1 1 375.469 3.818 20 5 GHBDMO C[NH+]1CCC2(CC[C@@H](COc3ccc4c(c3)oc(=O)c3cc(O)ccc43)O2)CC1 ZINC001229792613 1033719981 /nfs/dbraw/zinc/71/99/81/1033719981.db2.gz UUQSDXMVMHAXCA-KRWDZBQOSA-N 1 1 395.455 3.674 20 5 GHBDMO CO[C@@H](C)CCOc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229808054 1033731604 /nfs/dbraw/zinc/73/16/04/1033731604.db2.gz NASKZMQRZOQNQC-HNNXBMFYSA-N 1 1 381.476 3.692 20 5 GHBDMO Cc1cc(=O)oc2c1ccc(O[C@H]1CC[N@@H+](Cc3ccccc3)C1)c2[N+](=O)[O-] ZINC001229941393 1033805100 /nfs/dbraw/zinc/80/51/00/1033805100.db2.gz ABWCRWPHZDDYHT-INIZCTEOSA-N 1 1 380.400 3.663 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001230493928 1034089873 /nfs/dbraw/zinc/08/98/73/1034089873.db2.gz NDPSXUUWTFZBKB-OAHLLOKOSA-N 1 1 389.383 3.994 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001230493928 1034089886 /nfs/dbraw/zinc/08/98/86/1034089886.db2.gz NDPSXUUWTFZBKB-OAHLLOKOSA-N 1 1 389.383 3.994 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001230495010 1034091154 /nfs/dbraw/zinc/09/11/54/1034091154.db2.gz XWERPZDJZDRWQW-CABCVRRESA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001230495010 1034091163 /nfs/dbraw/zinc/09/11/63/1034091163.db2.gz XWERPZDJZDRWQW-CABCVRRESA-N 1 1 386.408 3.811 20 5 GHBDMO CC(=O)Cc1c(F)c(O[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001230795809 1034230646 /nfs/dbraw/zinc/23/06/46/1034230646.db2.gz BSUDGPNFPLXWBC-XOBRGWDASA-N 1 1 386.423 3.765 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(O[C@H]3[C@@H]4CC[C@H]3C[N@H+](Cc3ccccc3)C4)c21 ZINC001231055143 1034367926 /nfs/dbraw/zinc/36/79/26/1034367926.db2.gz DPPNVMUHPJHGCR-LFUKPOHLSA-N 1 1 390.443 3.827 20 5 GHBDMO Clc1ccnc(N2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)n1 ZINC001232223113 1035169932 /nfs/dbraw/zinc/16/99/32/1035169932.db2.gz KFNHROUTDMVGAZ-UHFFFAOYSA-N 1 1 390.878 3.549 20 5 GHBDMO Cc1cncnc1O[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232225522 1035172140 /nfs/dbraw/zinc/17/21/40/1035172140.db2.gz CYYWKFIXFBBAAP-HXUWFJFHSA-N 1 1 385.471 3.925 20 5 GHBDMO CCN(Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001461948014 1069908729 /nfs/dbraw/zinc/90/87/29/1069908729.db2.gz HOQQLWGUJJBWOJ-QFBILLFUSA-N 1 1 399.491 3.966 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001461991640 1069932939 /nfs/dbraw/zinc/93/29/39/1069932939.db2.gz SBWQFTPTURJHNY-HNNXBMFYSA-N 1 1 387.867 3.696 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2-c2cnco2)no1 ZINC001248209548 1035641207 /nfs/dbraw/zinc/64/12/07/1035641207.db2.gz PLXUTLHAEJUKQK-MRXNPFEDSA-N 1 1 377.360 3.542 20 5 GHBDMO COc1ccc(Nc2cc3c(ccn3C(=O)C[NH+](C)C)cc2OC)c([N+](=O)[O-])c1 ZINC001248483232 1035908804 /nfs/dbraw/zinc/90/88/04/1035908804.db2.gz JYSROCFAWULLEH-UHFFFAOYSA-N 1 1 398.419 3.512 20 5 GHBDMO Cc1cc(F)ccc1CN([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC001246963044 1037784655 /nfs/dbraw/zinc/78/46/55/1037784655.db2.gz WOKLDKIJXUWQJC-QFIPXVFZSA-N 1 1 383.467 3.764 20 5 GHBDMO COc1ccc(-c2nnc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])o2)cc1 ZINC001252023817 1038817614 /nfs/dbraw/zinc/81/76/14/1038817614.db2.gz XPZVRJRPHRHQFO-UHFFFAOYSA-N 1 1 377.360 3.815 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001233985529 1039744967 /nfs/dbraw/zinc/74/49/67/1039744967.db2.gz ZPHLATNBHFMXTM-KRWDZBQOSA-N 1 1 390.867 3.821 20 5 GHBDMO CCCc1noc([C@@H]2CCC[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)n1 ZINC001254479667 1040266319 /nfs/dbraw/zinc/26/63/19/1040266319.db2.gz GYMDPAKZULLWPX-MRXNPFEDSA-N 1 1 399.495 3.779 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)c1ccc(Br)cc1 ZINC001254539911 1040310761 /nfs/dbraw/zinc/31/07/61/1040310761.db2.gz LVRDVYYJTUCMES-BLLLJJGKSA-N 1 1 378.270 3.578 20 5 GHBDMO COC(=O)[C@](C)([NH3+])Cc1cn([C@@H](C)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC001254540369 1040310912 /nfs/dbraw/zinc/31/09/12/1040310912.db2.gz SLMGDJHFNCFGRL-OYHNWAKOSA-N 1 1 395.459 3.786 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 ZINC001254549901 1040317627 /nfs/dbraw/zinc/31/76/27/1040317627.db2.gz ADXOTNPQMMPESQ-QRWLVFNGSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001254553760 1040322244 /nfs/dbraw/zinc/32/22/44/1040322244.db2.gz YRFRYKDEUDVAHV-FHLIZLRMSA-N 1 1 375.469 3.610 20 5 GHBDMO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563958 1040338570 /nfs/dbraw/zinc/33/85/70/1040338570.db2.gz HFHMDUMQXFKITQ-SJLPKXTDSA-N 1 1 380.485 3.596 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001254577882 1040353966 /nfs/dbraw/zinc/35/39/66/1040353966.db2.gz HHRCLWZIAJXCJU-MYGLTJDJSA-N 1 1 377.488 3.847 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCN3Cc3cccc(F)c3)C1)C2 ZINC001254595780 1040369069 /nfs/dbraw/zinc/36/90/69/1040369069.db2.gz MLNOSZASFRVPRN-XZOQPEGZSA-N 1 1 395.478 3.942 20 5 GHBDMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602301 1040372943 /nfs/dbraw/zinc/37/29/43/1040372943.db2.gz CVQIWUBXQNLSHQ-JHOJWFKBSA-N 1 1 399.535 3.857 20 5 GHBDMO O=[N+]([O-])c1cnc2[nH]c(-c3nnc([C@H]4CC[N@@H+](Cc5ccccc5)C4)o3)cc2c1 ZINC001255403694 1040991212 /nfs/dbraw/zinc/99/12/12/1040991212.db2.gz FLZJGWXDADAOQB-AWEZNQCLSA-N 1 1 390.403 3.511 20 5 GHBDMO COc1c(C)ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1[N+](=O)[O-] ZINC001255479098 1041077117 /nfs/dbraw/zinc/07/71/17/1041077117.db2.gz PMDCAXAYXWDDGW-INIZCTEOSA-N 1 1 394.431 3.951 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255487959 1041085150 /nfs/dbraw/zinc/08/51/50/1041085150.db2.gz UPHGTLSJWVRANV-HNNXBMFYSA-N 1 1 380.404 3.643 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@@H]3c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC001256100442 1041526953 /nfs/dbraw/zinc/52/69/53/1041526953.db2.gz IUYNPJKBXDTHNF-QGZVFWFLSA-N 1 1 388.493 3.866 20 5 GHBDMO C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCCCC1 ZINC001261364870 1045980921 /nfs/dbraw/zinc/98/09/21/1045980921.db2.gz XZYUXEYWNSXUPA-LBPRGKRZSA-N 1 1 385.258 3.665 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001301750896 1046682512 /nfs/dbraw/zinc/68/25/12/1046682512.db2.gz HNPISIVVVRJMDC-HJNYFJLDSA-N 1 1 393.487 3.649 20 5 GHBDMO C[C@H](C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC001266225369 1047719449 /nfs/dbraw/zinc/71/94/49/1047719449.db2.gz MGEWXZQOCPBWNX-ULQDDVLXSA-N 1 1 399.466 3.959 20 5 GHBDMO CC[C@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305602954 1048175931 /nfs/dbraw/zinc/17/59/31/1048175931.db2.gz HBFJGHZJAMQHNN-INIZCTEOSA-N 1 1 388.516 3.676 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001287694389 1048892127 /nfs/dbraw/zinc/89/21/27/1048892127.db2.gz SCZUFNGDMKYBQD-DGEVVOEJSA-N 1 1 393.487 3.583 20 5 GHBDMO COC(=O)c1ccnc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC001306930291 1048965350 /nfs/dbraw/zinc/96/53/50/1048965350.db2.gz JWBOLIXKRYYJNY-OAHLLOKOSA-N 1 1 398.463 3.620 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001306960153 1048980656 /nfs/dbraw/zinc/98/06/56/1048980656.db2.gz XJKZMQDIHDKMCM-KRWDZBQOSA-N 1 1 394.450 3.681 20 5 GHBDMO COC(=O)Cc1ccc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001307110195 1049081450 /nfs/dbraw/zinc/08/14/50/1049081450.db2.gz QIGDHGLHRLCGEL-JOCHJYFZSA-N 1 1 397.475 3.634 20 5 GHBDMO C[N@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC001307115720 1049084528 /nfs/dbraw/zinc/08/45/28/1049084528.db2.gz VASUTXOLTJECHI-MRXNPFEDSA-N 1 1 379.382 3.977 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001307680979 1049502494 /nfs/dbraw/zinc/50/24/94/1049502494.db2.gz LQJLHNNMCZRIDA-LLVKDONJSA-N 1 1 387.267 3.806 20 5 GHBDMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001289686764 1049591405 /nfs/dbraw/zinc/59/14/05/1049591405.db2.gz RLETWARKUWODFS-HSALFYBXSA-N 1 1 379.460 3.625 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c1 ZINC001307795047 1049596587 /nfs/dbraw/zinc/59/65/87/1049596587.db2.gz XFFOWYDVOUCJBX-ZDUSSCGKSA-N 1 1 398.394 3.557 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC001307898299 1049675760 /nfs/dbraw/zinc/67/57/60/1049675760.db2.gz WVEJDSCKSSFBLH-LJQANCHMSA-N 1 1 376.840 3.611 20 5 GHBDMO CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307918505 1049694774 /nfs/dbraw/zinc/69/47/74/1049694774.db2.gz JRYMOHIZOJQGGO-QHCPKHFHSA-N 1 1 393.487 3.971 20 5 GHBDMO COC[C@@H](C)[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001307976678 1049735169 /nfs/dbraw/zinc/73/51/69/1049735169.db2.gz VDGXREBZSAGJCT-QVKFZJNVSA-N 1 1 398.459 3.906 20 5 GHBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC001329490231 1050818240 /nfs/dbraw/zinc/81/82/40/1050818240.db2.gz ADSSVELBQUJFJR-LBPRGKRZSA-N 1 1 379.258 3.550 20 5 GHBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC[C@H]2N1 ZINC001330864946 1051133080 /nfs/dbraw/zinc/13/30/80/1051133080.db2.gz DFAATZLHSDODNH-MLGOLLRUSA-N 1 1 389.839 3.609 20 5 GHBDMO CCOc1cc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001310945762 1051724963 /nfs/dbraw/zinc/72/49/63/1051724963.db2.gz XUKOUVLZZKUBKR-YJBOKZPZSA-N 1 1 398.463 3.636 20 5 GHBDMO O=C(N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001333641460 1051794650 /nfs/dbraw/zinc/79/46/50/1051794650.db2.gz YNTCCJVGYZDSMV-SQNIBIBYSA-N 1 1 397.450 3.764 20 5 GHBDMO Cc1c(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311258200 1051972213 /nfs/dbraw/zinc/97/22/13/1051972213.db2.gz HCZLAPSAYIYVMI-GFCCVEGCSA-N 1 1 388.390 3.775 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001335694076 1052152118 /nfs/dbraw/zinc/15/21/18/1052152118.db2.gz ADDCHBXNZBFHRW-FASAQXTFSA-N 1 1 386.427 3.540 20 5 GHBDMO CC[C@H](NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001312433408 1052741298 /nfs/dbraw/zinc/74/12/98/1052741298.db2.gz OAEMVNSOPXAGJN-FQEVSTJZSA-N 1 1 382.464 3.572 20 5 GHBDMO Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[nH+]1 ZINC001318964344 1054968345 /nfs/dbraw/zinc/96/83/45/1054968345.db2.gz YLUHFZYNSNPQJR-MRXNPFEDSA-N 1 1 380.404 3.761 20 5 GHBDMO COc1ccc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001345727739 1055225693 /nfs/dbraw/zinc/22/56/93/1055225693.db2.gz LRPRINSFCKUVRU-MRXNPFEDSA-N 1 1 398.463 3.732 20 5 GHBDMO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC001320533422 1055864415 /nfs/dbraw/zinc/86/44/15/1055864415.db2.gz IZUZQYSJDVMOSK-KSSFIOAISA-N 1 1 394.313 3.806 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC001354517176 1056734310 /nfs/dbraw/zinc/73/43/10/1056734310.db2.gz CFGDTXONBSHMEP-HNNXBMFYSA-N 1 1 383.473 3.942 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)c([N+](=O)[O-])c2)cc1 ZINC001472867985 1056975597 /nfs/dbraw/zinc/97/55/97/1056975597.db2.gz WHCWFFOCRDWBBH-MOPGFXCFSA-N 1 1 394.475 3.828 20 5 GHBDMO C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC001355308602 1057114019 /nfs/dbraw/zinc/11/40/19/1057114019.db2.gz BWJDXIUUYWYYMW-TYCQWZJGSA-N 1 1 381.476 3.725 20 5 GHBDMO COc1ccc(C2CC[NH+](Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)CC2)nc1 ZINC000848489423 1057123484 /nfs/dbraw/zinc/12/34/84/1057123484.db2.gz MRHMWJLQOTXEMS-UHFFFAOYSA-N 1 1 393.447 3.699 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001324433785 1057133762 /nfs/dbraw/zinc/13/37/62/1057133762.db2.gz RPSUKUPQALQBGG-HOTGVXAUSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001324433785 1057133769 /nfs/dbraw/zinc/13/37/69/1057133769.db2.gz RPSUKUPQALQBGG-HOTGVXAUSA-N 1 1 377.803 3.563 20 5 GHBDMO O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001324815901 1057232065 /nfs/dbraw/zinc/23/20/65/1057232065.db2.gz SKBKICNTFJYQEI-INIZCTEOSA-N 1 1 397.269 3.808 20 5 GHBDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3c(C)ccc([N+](=O)[O-])c3C)cc2)CC1 ZINC001441314292 1058748021 /nfs/dbraw/zinc/74/80/21/1058748021.db2.gz OJZBSPSAFAKBJX-UHFFFAOYSA-N 1 1 396.491 3.601 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)cc2[N+](=O)[O-])cc1 ZINC001443960350 1059239573 /nfs/dbraw/zinc/23/95/73/1059239573.db2.gz HAJDVVCJKWQSIV-HNNXBMFYSA-N 1 1 385.489 3.831 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)cc2[N+](=O)[O-])cc1 ZINC001443960350 1059239592 /nfs/dbraw/zinc/23/95/92/1059239592.db2.gz HAJDVVCJKWQSIV-HNNXBMFYSA-N 1 1 385.489 3.831 20 5 GHBDMO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001346016836 1061291832 /nfs/dbraw/zinc/29/18/32/1061291832.db2.gz APRDVFWNKLOSFW-UHFFFAOYSA-N 1 1 396.369 3.519 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001454409354 1061769181 /nfs/dbraw/zinc/76/91/81/1061769181.db2.gz VJIDXFTZLLZHPD-BEFAXECRSA-N 1 1 392.459 3.717 20 5 GHBDMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC001456157726 1062519864 /nfs/dbraw/zinc/51/98/64/1062519864.db2.gz MYNLISBKMBVKOS-INIZCTEOSA-N 1 1 379.526 3.947 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001435336928 1062520960 /nfs/dbraw/zinc/52/09/60/1062520960.db2.gz BRKDFAOHBFEBAI-LPHOPBHVSA-N 1 1 381.476 3.852 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001457422634 1063169246 /nfs/dbraw/zinc/16/92/46/1063169246.db2.gz OJBUOGTVLYCNEJ-HNNXBMFYSA-N 1 1 387.505 3.957 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001457571295 1063255339 /nfs/dbraw/zinc/25/53/39/1063255339.db2.gz FKBKRLINNCMCPN-QFIPXVFZSA-N 1 1 393.487 3.843 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)CC[C@@H]21 ZINC001458236938 1063682609 /nfs/dbraw/zinc/68/26/09/1063682609.db2.gz JVBGUZMHEPTFHD-PXNSSMCTSA-N 1 1 379.460 3.746 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2ccc3cnccc3c2[N+](=O)[O-])cc1 ZINC001458500302 1063850388 /nfs/dbraw/zinc/85/03/88/1063850388.db2.gz XGPWVYDZCPQNIE-QGZVFWFLSA-N 1 1 378.432 3.838 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001458536297 1063872876 /nfs/dbraw/zinc/87/28/76/1063872876.db2.gz KRXDQDFZOGGTFT-QAPCUYQASA-N 1 1 394.475 3.660 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001458669225 1063915806 /nfs/dbraw/zinc/91/58/06/1063915806.db2.gz CPROIMPZLBNFPO-SIKLNZKXSA-N 1 1 391.475 3.799 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001438200129 1064004861 /nfs/dbraw/zinc/00/48/61/1064004861.db2.gz WRXCSBOIESUSGY-HBGVWJBISA-N 1 1 379.460 3.604 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC001459582163 1064133537 /nfs/dbraw/zinc/13/35/37/1064133537.db2.gz MLCUWDFFYCQKSS-MOPGFXCFSA-N 1 1 389.496 3.983 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC001459611680 1064143187 /nfs/dbraw/zinc/14/31/87/1064143187.db2.gz TUEHONZFUFTRHR-WBVHZDCISA-N 1 1 393.484 3.599 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1C ZINC001464927121 1065276051 /nfs/dbraw/zinc/27/60/51/1065276051.db2.gz DMEPSBHKPRPWDE-UHFFFAOYSA-N 1 1 381.476 3.948 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1C ZINC001464927121 1065276062 /nfs/dbraw/zinc/27/60/62/1065276062.db2.gz DMEPSBHKPRPWDE-UHFFFAOYSA-N 1 1 381.476 3.948 20 5 GHBDMO Cc1cc(CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 ZINC001352836883 1065356393 /nfs/dbraw/zinc/35/63/93/1065356393.db2.gz SUFQZYXDLFHUHF-UHFFFAOYSA-N 1 1 398.385 3.618 20 5 GHBDMO Cc1cc(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 ZINC001352836883 1065356406 /nfs/dbraw/zinc/35/64/06/1065356406.db2.gz SUFQZYXDLFHUHF-UHFFFAOYSA-N 1 1 398.385 3.618 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCC3(C)C)C2)cc1[N+](=O)[O-] ZINC001474595762 1067730241 /nfs/dbraw/zinc/73/02/41/1067730241.db2.gz YEGSVIPFLZGDKC-IAGOWNOFSA-N 1 1 390.480 3.795 20 5 GHBDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001460299078 1068913229 /nfs/dbraw/zinc/91/32/29/1068913229.db2.gz RHKIZIPENAERAG-MAUKXSAKSA-N 1 1 380.510 3.517 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001460624177 1069038714 /nfs/dbraw/zinc/03/87/14/1069038714.db2.gz XJDPYTIWGXOAEB-UHFFFAOYSA-N 1 1 380.448 3.811 20 5 GHBDMO Cc1ccc(CN2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC001460693392 1069090190 /nfs/dbraw/zinc/09/01/90/1069090190.db2.gz LPXWQOYZJTXBIP-AUSIDOKSSA-N 1 1 395.503 3.769 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC001460693392 1069090194 /nfs/dbraw/zinc/09/01/94/1069090194.db2.gz LPXWQOYZJTXBIP-AUSIDOKSSA-N 1 1 395.503 3.769 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC001460693392 1069090197 /nfs/dbraw/zinc/09/01/97/1069090197.db2.gz LPXWQOYZJTXBIP-AUSIDOKSSA-N 1 1 395.503 3.769 20 5 GHBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460953652 1069295173 /nfs/dbraw/zinc/29/51/73/1069295173.db2.gz ZBMVFROXFWALEV-UHFFFAOYSA-N 1 1 393.484 3.825 20 5 GHBDMO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460953679 1069295288 /nfs/dbraw/zinc/29/52/88/1069295288.db2.gz ZJIBGXXWRPJLGJ-UHFFFAOYSA-N 1 1 381.448 3.955 20 5 GHBDMO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460953679 1069295301 /nfs/dbraw/zinc/29/53/01/1069295301.db2.gz ZJIBGXXWRPJLGJ-UHFFFAOYSA-N 1 1 381.448 3.955 20 5 GHBDMO C[N@H+]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472028125 1073309829 /nfs/dbraw/zinc/30/98/29/1073309829.db2.gz ABCAWHKIYKVDGE-GOSISDBHSA-N 1 1 385.489 3.816 20 5 GHBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC001472703257 1073627442 /nfs/dbraw/zinc/62/74/42/1073627442.db2.gz HBQWZFKMGCVMAS-AWEZNQCLSA-N 1 1 381.411 3.560 20 5 GHBDMO Cc1cc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC001472798511 1073670853 /nfs/dbraw/zinc/67/08/53/1073670853.db2.gz MNHCNAGPAMZOAQ-UHFFFAOYSA-N 1 1 381.411 3.620 20 5 GHBDMO C[N@H+]1C[C@@]23CN(c4ccc(Br)cc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001472903767 1073720431 /nfs/dbraw/zinc/72/04/31/1073720431.db2.gz MYNNDWAXNOSLNO-CALCHBBNSA-N 1 1 380.286 3.670 20 5 GHBDMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001473381269 1073942046 /nfs/dbraw/zinc/94/20/46/1073942046.db2.gz MBWFPVVWQXEXEJ-JOCHJYFZSA-N 1 1 398.459 3.614 20 5 GHBDMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001473381269 1073942048 /nfs/dbraw/zinc/94/20/48/1073942048.db2.gz MBWFPVVWQXEXEJ-JOCHJYFZSA-N 1 1 398.459 3.614 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@]1(O)CCc2ccccc21 ZINC001473577058 1074026106 /nfs/dbraw/zinc/02/61/06/1074026106.db2.gz PJKMPFOHTGIILT-SFHVURJKSA-N 1 1 391.265 3.623 20 5 GHBDMO COC[C@H](C)[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCc2ccccc21 ZINC001473691151 1074089796 /nfs/dbraw/zinc/08/97/96/1074089796.db2.gz DJOZADHLQLKCTA-KKSFZXQISA-N 1 1 397.475 3.866 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@]3(C=Cc4ccccc4O3)C2)c1 ZINC001473841637 1074169180 /nfs/dbraw/zinc/16/91/80/1074169180.db2.gz MSWWHHAJJLIDDD-QFIPXVFZSA-N 1 1 394.427 3.822 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@]3(C=Cc4ccccc4O3)C2)c1 ZINC001473841637 1074169185 /nfs/dbraw/zinc/16/91/85/1074169185.db2.gz MSWWHHAJJLIDDD-QFIPXVFZSA-N 1 1 394.427 3.822 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@]3(C=Cc4ccccc4O3)C2)c1 ZINC001473841636 1074169468 /nfs/dbraw/zinc/16/94/68/1074169468.db2.gz MSWWHHAJJLIDDD-JOCHJYFZSA-N 1 1 394.427 3.822 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@]3(C=Cc4ccccc4O3)C2)c1 ZINC001473841636 1074169473 /nfs/dbraw/zinc/16/94/73/1074169473.db2.gz MSWWHHAJJLIDDD-JOCHJYFZSA-N 1 1 394.427 3.822 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c(Br)c1 ZINC001473869681 1074183178 /nfs/dbraw/zinc/18/31/78/1074183178.db2.gz AXIQAGUXRSPDIL-DZGCQCFKSA-N 1 1 383.286 3.996 20 5 GHBDMO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC001473884622 1074190477 /nfs/dbraw/zinc/19/04/77/1074190477.db2.gz MRHKCVLYTSFCDL-LLVKDONJSA-N 1 1 393.827 3.555 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001474233839 1074302596 /nfs/dbraw/zinc/30/25/96/1074302596.db2.gz GHMHUYAFDJPVEE-FXAWDEMLSA-N 1 1 383.492 3.851 20 5 GHBDMO C[C@@](CO)([NH2+]Cc1cnc(-c2cccs2)s1)c1cccc([N+](=O)[O-])c1 ZINC001474234816 1074303581 /nfs/dbraw/zinc/30/35/81/1074303581.db2.gz HTXMKSSYCGMDIS-KRWDZBQOSA-N 1 1 375.475 3.777 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](c3cncn3C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001474755849 1074546939 /nfs/dbraw/zinc/54/69/39/1074546939.db2.gz VSIAWUUJGCQMCA-AWEZNQCLSA-N 1 1 388.468 3.640 20 5 GHBDMO CCC[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CC=CCC1 ZINC001500035224 1079571549 /nfs/dbraw/zinc/57/15/49/1079571549.db2.gz MALUYTLJUYWDBO-QGZVFWFLSA-N 1 1 398.511 3.740 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000180604893 837391881 /nfs/dbraw/zinc/39/18/81/837391881.db2.gz ZYEWZJRGWZOVPZ-DZGCQCFKSA-N 1 1 382.363 3.877 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000180604893 837391888 /nfs/dbraw/zinc/39/18/88/837391888.db2.gz ZYEWZJRGWZOVPZ-DZGCQCFKSA-N 1 1 382.363 3.877 20 5 GHBDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180652499 837422883 /nfs/dbraw/zinc/42/28/83/837422883.db2.gz PCMANYSWEVWMOE-UZLBHIALSA-N 1 1 396.447 3.534 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000431776407 837465974 /nfs/dbraw/zinc/46/59/74/837465974.db2.gz PQGZISBDKLCODR-HNNXBMFYSA-N 1 1 376.501 3.640 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176931612 837604189 /nfs/dbraw/zinc/60/41/89/837604189.db2.gz JLKUHALQEPFIBX-RDJZCZTQSA-N 1 1 398.463 3.778 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176580414 837682948 /nfs/dbraw/zinc/68/29/48/837682948.db2.gz PTNGSUZHHQUTBG-PKOBYXMFSA-N 1 1 397.475 3.533 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)COc1ccc3ccccc3c1)C2 ZINC000581873166 837737993 /nfs/dbraw/zinc/73/79/93/837737993.db2.gz UYMCUGIYRPPVGX-IBGZPJMESA-N 1 1 378.428 3.546 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)COc1ccc3ccccc3c1)C2 ZINC000581873166 837737997 /nfs/dbraw/zinc/73/79/97/837737997.db2.gz UYMCUGIYRPPVGX-IBGZPJMESA-N 1 1 378.428 3.546 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000536033822 834404189 /nfs/dbraw/zinc/40/41/89/834404189.db2.gz AMJPVXXMJFKFHE-IBGZPJMESA-N 1 1 397.475 3.736 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000582015322 837774381 /nfs/dbraw/zinc/77/43/81/837774381.db2.gz LMJQLUUZPMBUNH-OXQOHEQNSA-N 1 1 397.475 3.634 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1)Nc1ccccc1[N+](=O)[O-] ZINC000128213450 834675164 /nfs/dbraw/zinc/67/51/64/834675164.db2.gz FNDDJLPIBDJHTR-CQSZACIVSA-N 1 1 389.839 3.730 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000067648344 834821282 /nfs/dbraw/zinc/82/12/82/834821282.db2.gz OQZXURMFTXBRFJ-INIZCTEOSA-N 1 1 387.867 3.890 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000510069997 834834538 /nfs/dbraw/zinc/83/45/38/834834538.db2.gz HQGAZPZLXDVHGH-RXVVDRJESA-N 1 1 395.503 3.944 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000430204835 835073217 /nfs/dbraw/zinc/07/32/17/835073217.db2.gz LTUAFJCBXNXQIQ-AWEZNQCLSA-N 1 1 384.358 3.656 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000430204835 835073229 /nfs/dbraw/zinc/07/32/29/835073229.db2.gz LTUAFJCBXNXQIQ-AWEZNQCLSA-N 1 1 384.358 3.656 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000510090431 835120684 /nfs/dbraw/zinc/12/06/84/835120684.db2.gz WKJKKMAAKFSKBF-FUHWJXTLSA-N 1 1 397.475 3.634 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000278574746 835441667 /nfs/dbraw/zinc/44/16/67/835441667.db2.gz XRAWKLMGNBYHFA-SECBINFHSA-N 1 1 391.300 3.751 20 5 GHBDMO CCOc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OC(F)F ZINC000278681247 835779367 /nfs/dbraw/zinc/77/93/67/835779367.db2.gz MDWJBVUGCVOQPW-UHFFFAOYSA-N 1 1 392.362 3.761 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000052906470 835797691 /nfs/dbraw/zinc/79/76/91/835797691.db2.gz VEVWXORJGDPLMV-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000052906470 835797700 /nfs/dbraw/zinc/79/77/00/835797700.db2.gz VEVWXORJGDPLMV-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c(Cl)c1 ZINC000274972093 835857587 /nfs/dbraw/zinc/85/75/87/835857587.db2.gz KUHSZKFYLMHGRL-UHFFFAOYSA-N 1 1 375.860 3.556 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179556494 835877305 /nfs/dbraw/zinc/87/73/05/835877305.db2.gz GFOJIWGNLHOTRE-FQEVSTJZSA-N 1 1 397.475 3.835 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000411175836 836077001 /nfs/dbraw/zinc/07/70/01/836077001.db2.gz FBZMUPVVDPYUEH-GOSISDBHSA-N 1 1 387.411 3.908 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000177159136 836078391 /nfs/dbraw/zinc/07/83/91/836078391.db2.gz KBAUXPJIXKUDBY-IBGZPJMESA-N 1 1 382.416 3.932 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000177159136 836078397 /nfs/dbraw/zinc/07/83/97/836078397.db2.gz KBAUXPJIXKUDBY-IBGZPJMESA-N 1 1 382.416 3.932 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000134875876 836157058 /nfs/dbraw/zinc/15/70/58/836157058.db2.gz JKUKQUDSRCPXHX-ZBFHGGJFSA-N 1 1 385.489 3.710 20 5 GHBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000411391084 836160555 /nfs/dbraw/zinc/16/05/55/836160555.db2.gz YZSVYIHFSPPLEU-INIZCTEOSA-N 1 1 388.493 3.952 20 5 GHBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000159506485 844141006 /nfs/dbraw/zinc/14/10/06/844141006.db2.gz ZXSGWUYYXAVODF-NEPJUHHUSA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411595245 836228538 /nfs/dbraw/zinc/22/85/38/836228538.db2.gz XUZRDNUYPDWQRZ-DZLUEKEQSA-N 1 1 379.460 3.650 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000179887667 836266985 /nfs/dbraw/zinc/26/69/85/836266985.db2.gz ZBGPNLVPPDUFFY-OAHLLOKOSA-N 1 1 395.406 3.923 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000179887667 836266997 /nfs/dbraw/zinc/26/69/97/836266997.db2.gz ZBGPNLVPPDUFFY-OAHLLOKOSA-N 1 1 395.406 3.923 20 5 GHBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612482559 836294272 /nfs/dbraw/zinc/29/42/72/836294272.db2.gz FJXQFZNJEPAONU-WMZOPIPTSA-N 1 1 399.466 3.866 20 5 GHBDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000175371878 836301491 /nfs/dbraw/zinc/30/14/91/836301491.db2.gz VFEHOAVMZVKUDK-QWXGXRTQSA-N 1 1 376.478 3.794 20 5 GHBDMO O=[N+]([O-])c1ncccc1NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000610770990 844167537 /nfs/dbraw/zinc/16/75/37/844167537.db2.gz IDBPZLXTRJXTMN-UHFFFAOYSA-N 1 1 391.269 3.829 20 5 GHBDMO Cc1nc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000610774692 844182318 /nfs/dbraw/zinc/18/23/18/844182318.db2.gz WAQQNQFXGQCAOW-HNNXBMFYSA-N 1 1 398.463 3.804 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc1F ZINC001125324021 836782679 /nfs/dbraw/zinc/78/26/79/836782679.db2.gz UEGWHARTDZLRKJ-UHFFFAOYSA-N 1 1 382.395 3.775 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1cccs1 ZINC000247137346 836919796 /nfs/dbraw/zinc/91/97/96/836919796.db2.gz ZOOIEFDPQYEGMX-YJYMSZOUSA-N 1 1 398.488 3.951 20 5 GHBDMO NC(=O)Nc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180062910 836982717 /nfs/dbraw/zinc/98/27/17/836982717.db2.gz CXFQEDGCYKXXDM-FQEVSTJZSA-N 1 1 376.416 3.965 20 5 GHBDMO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[N@H+]2C2CC2)c1 ZINC000180065345 837058815 /nfs/dbraw/zinc/05/88/15/837058815.db2.gz PDONVOIERWDZCT-UXHICEINSA-N 1 1 396.447 3.703 20 5 GHBDMO CC(C)[C@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000180070203 837065693 /nfs/dbraw/zinc/06/56/93/837065693.db2.gz WYLHQAMOVOWSMS-XZOQPEGZSA-N 1 1 396.535 3.546 20 5 GHBDMO C[N@@H+](CC(C)(C)O)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000177728600 837079809 /nfs/dbraw/zinc/07/98/09/837079809.db2.gz XWGPXPBDFYACLW-KRWDZBQOSA-N 1 1 391.855 3.631 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000548975360 837115727 /nfs/dbraw/zinc/11/57/27/837115727.db2.gz YKQMAXQUFNSRDM-SJLPKXTDSA-N 1 1 397.475 3.776 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])cc1O ZINC000610271632 837331407 /nfs/dbraw/zinc/33/14/07/837331407.db2.gz PPOCMNNHGJGVHR-UHFFFAOYSA-N 1 1 388.420 3.554 20 5 GHBDMO C[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC000175779369 837851929 /nfs/dbraw/zinc/85/19/29/837851929.db2.gz WKPDYPBEYJDQGW-YJBOKZPZSA-N 1 1 394.475 3.945 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541033238 837856813 /nfs/dbraw/zinc/85/68/13/837856813.db2.gz VJBKOGPXHLTKJS-UHFFFAOYSA-N 1 1 385.411 3.533 20 5 GHBDMO COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1SC ZINC000103073881 838325649 /nfs/dbraw/zinc/32/56/49/838325649.db2.gz JQAYPCGMTZYYJL-CYBMUJFWSA-N 1 1 395.525 3.566 20 5 GHBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584550758 838343007 /nfs/dbraw/zinc/34/30/07/838343007.db2.gz DXDZOTWOQJQMTA-IYBDPMFKSA-N 1 1 389.496 3.513 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000189735122 838391945 /nfs/dbraw/zinc/39/19/45/838391945.db2.gz WVUCATDOSHZZPP-OAQYLSRUSA-N 1 1 386.448 3.625 20 5 GHBDMO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000414546068 838617838 /nfs/dbraw/zinc/61/78/38/838617838.db2.gz GEOUMBQCOHNPBG-OAQYLSRUSA-N 1 1 398.459 3.966 20 5 GHBDMO COc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000414546068 838617840 /nfs/dbraw/zinc/61/78/40/838617840.db2.gz GEOUMBQCOHNPBG-OAQYLSRUSA-N 1 1 398.459 3.966 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000610061791 838659053 /nfs/dbraw/zinc/65/90/53/838659053.db2.gz BRIQYCRUIZWVAY-UHFFFAOYSA-N 1 1 398.301 3.550 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000580057106 838782590 /nfs/dbraw/zinc/78/25/90/838782590.db2.gz WFJKBYBFIPAMAX-NRFANRHFSA-N 1 1 393.491 3.659 20 5 GHBDMO C[N@@H+](CCOc1ccccc1F)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104663659 838833966 /nfs/dbraw/zinc/83/39/66/838833966.db2.gz AVVARKJARLVVSU-UHFFFAOYSA-N 1 1 385.395 3.942 20 5 GHBDMO C[N@@H+](CCOc1ccc(F)cc1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104663638 838834954 /nfs/dbraw/zinc/83/49/54/838834954.db2.gz CSXMBJYOICHSAX-UHFFFAOYSA-N 1 1 385.395 3.942 20 5 GHBDMO COc1cc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414863178 838909427 /nfs/dbraw/zinc/90/94/27/838909427.db2.gz YARZWPQITSNRTJ-QFBILLFUSA-N 1 1 399.491 3.660 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000190050462 838916507 /nfs/dbraw/zinc/91/65/07/838916507.db2.gz KBLDOJDBKBNJHP-KKSFZXQISA-N 1 1 392.459 3.650 20 5 GHBDMO CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000121179825 838994494 /nfs/dbraw/zinc/99/44/94/838994494.db2.gz VDJXXWHBDJVLFC-PKOBYXMFSA-N 1 1 395.459 3.750 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000175792766 839049704 /nfs/dbraw/zinc/04/97/04/839049704.db2.gz CJHWDGNDSPGXLS-HNNXBMFYSA-N 1 1 393.447 3.768 20 5 GHBDMO CCN(C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000549166979 839119682 /nfs/dbraw/zinc/11/96/82/839119682.db2.gz CEHKBSFUGKZSRC-INIZCTEOSA-N 1 1 387.455 3.818 20 5 GHBDMO CCN(C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000549166979 839119686 /nfs/dbraw/zinc/11/96/86/839119686.db2.gz CEHKBSFUGKZSRC-INIZCTEOSA-N 1 1 387.455 3.818 20 5 GHBDMO COc1ccc(C[NH2+][C@@H](CN)C(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415052087 839121195 /nfs/dbraw/zinc/12/11/95/839121195.db2.gz HFMBEPBDKJEIOY-FQEVSTJZSA-N 1 1 387.480 3.645 20 5 GHBDMO C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+]1CCCC[C@H]1C ZINC000064916805 839157651 /nfs/dbraw/zinc/15/76/51/839157651.db2.gz XJVBRDGFYRBFQO-KGLIPLIRSA-N 1 1 388.493 3.711 20 5 GHBDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]2CCCC[C@H]21 ZINC000541122550 839329142 /nfs/dbraw/zinc/32/91/42/839329142.db2.gz QCQXTFSJSQJYJG-PVXIVEMSSA-N 1 1 396.285 3.806 20 5 GHBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]2CCCC[C@H]21 ZINC000541122550 839329154 /nfs/dbraw/zinc/32/91/54/839329154.db2.gz QCQXTFSJSQJYJG-PVXIVEMSSA-N 1 1 396.285 3.806 20 5 GHBDMO CCOc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579768960 839970433 /nfs/dbraw/zinc/97/04/33/839970433.db2.gz YWXSQMCSYUXRSF-SFTDATJTSA-N 1 1 395.503 3.947 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000175835995 840103377 /nfs/dbraw/zinc/10/33/77/840103377.db2.gz FRPLANOPXAZAKP-OAHLLOKOSA-N 1 1 393.447 3.992 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCOc1ccccc1Cl ZINC000015103382 840226636 /nfs/dbraw/zinc/22/66/36/840226636.db2.gz KGFDCPVLOAWRFV-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCOc1ccccc1Cl ZINC000015103382 840226647 /nfs/dbraw/zinc/22/66/47/840226647.db2.gz KGFDCPVLOAWRFV-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000573451217 844545683 /nfs/dbraw/zinc/54/56/83/844545683.db2.gz YMGIFHDUFJZPFV-QRVBRYPASA-N 1 1 384.480 3.745 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160721836 840580753 /nfs/dbraw/zinc/58/07/53/840580753.db2.gz XMPIKCCQZCVMHI-DFNIBXOVSA-N 1 1 389.496 4.000 20 5 GHBDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000477012535 840684650 /nfs/dbraw/zinc/68/46/50/840684650.db2.gz SMBSURQDAURHAU-STQMWFEESA-N 1 1 375.856 3.971 20 5 GHBDMO CCc1ccc([C@@H]([NH2+][C@@H]2CCN(CC(F)F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000417395183 840813135 /nfs/dbraw/zinc/81/31/35/840813135.db2.gz VXEVBZFWYMJLKG-KUHUBIRLSA-N 1 1 379.407 3.769 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3OC)CC2)s1 ZINC001167454321 841076646 /nfs/dbraw/zinc/07/66/46/841076646.db2.gz SWZYTZBGZNDIMD-UHFFFAOYSA-N 1 1 375.494 3.545 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000107063696 841176794 /nfs/dbraw/zinc/17/67/94/841176794.db2.gz JUTMECCBZKOUGD-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO O=C(CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2sccc2C1 ZINC000135219145 841383787 /nfs/dbraw/zinc/38/37/87/841383787.db2.gz ANUQBXMXUMGYER-UHFFFAOYSA-N 1 1 385.489 3.596 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000123107742 841464395 /nfs/dbraw/zinc/46/43/95/841464395.db2.gz HHIWFJUZIMMCSF-WBVHZDCISA-N 1 1 398.463 3.778 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000123107539 841465325 /nfs/dbraw/zinc/46/53/25/841465325.db2.gz HHIWFJUZIMMCSF-DOTOQJQBSA-N 1 1 398.463 3.778 20 5 GHBDMO COC(=O)c1cnc(C2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000600189677 861215438 /nfs/dbraw/zinc/21/54/38/861215438.db2.gz MASCFCCEPKQWIU-XQRVVYSFSA-N 1 1 387.461 3.731 20 5 GHBDMO C[N@@H+](CCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Cc1ccccc1 ZINC000108310029 841579157 /nfs/dbraw/zinc/57/91/57/841579157.db2.gz FLIYHORSZTUMBA-UHFFFAOYSA-N 1 1 396.491 3.765 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000500181920 841591937 /nfs/dbraw/zinc/59/19/37/841591937.db2.gz BFLNBEXDCAYGRP-QFIPXVFZSA-N 1 1 397.475 3.986 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)nc1 ZINC000302140935 861217817 /nfs/dbraw/zinc/21/78/17/861217817.db2.gz DUMGQWURIHPFNZ-UHFFFAOYSA-N 1 1 399.451 3.575 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@H+]1C ZINC000123404505 841767016 /nfs/dbraw/zinc/76/70/16/841767016.db2.gz NFNACNUOWJHWFX-FUHWJXTLSA-N 1 1 396.491 3.762 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)o2)c(Cl)c1 ZINC000600209911 861251723 /nfs/dbraw/zinc/25/17/23/861251723.db2.gz XQHMKXKWHXIKPH-CFAZGSRYSA-N 1 1 394.880 3.994 20 5 GHBDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000477275743 841957569 /nfs/dbraw/zinc/95/75/69/841957569.db2.gz JKUDTOIIFGKKGO-KSEOMHKRSA-N 1 1 384.476 3.993 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000121428866 841970495 /nfs/dbraw/zinc/97/04/95/841970495.db2.gz XPQHRHVSDKBCRV-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000121428866 841970502 /nfs/dbraw/zinc/97/05/02/841970502.db2.gz XPQHRHVSDKBCRV-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO CCS[C@H]1CCCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112089477 842182909 /nfs/dbraw/zinc/18/29/09/842182909.db2.gz FEWGLDCMBFEWTF-HNNXBMFYSA-N 1 1 381.498 3.540 20 5 GHBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000178169770 842293592 /nfs/dbraw/zinc/29/35/92/842293592.db2.gz PZSVHQLTZWWWFS-UHFFFAOYSA-N 1 1 379.420 3.798 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175977108 842552646 /nfs/dbraw/zinc/55/26/46/842552646.db2.gz HXLMQQNVPBVSCD-FQEVSTJZSA-N 1 1 396.491 3.648 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000481417522 861336554 /nfs/dbraw/zinc/33/65/54/861336554.db2.gz RWDZTJPCAUNUCT-OALUTQOASA-N 1 1 380.448 3.695 20 5 GHBDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000512185581 842834525 /nfs/dbraw/zinc/83/45/25/842834525.db2.gz KFAJZUXRNHSJKS-UZLBHIALSA-N 1 1 388.489 3.842 20 5 GHBDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000512185581 842834529 /nfs/dbraw/zinc/83/45/29/842834529.db2.gz KFAJZUXRNHSJKS-UZLBHIALSA-N 1 1 388.489 3.842 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000120357014 843057152 /nfs/dbraw/zinc/05/71/52/843057152.db2.gz QZFSNYHZZFGDDH-MNOVXSKESA-N 1 1 379.363 3.559 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4ccnn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000510642132 843115038 /nfs/dbraw/zinc/11/50/38/843115038.db2.gz ZBXZVVOZFKYOJV-HNNXBMFYSA-N 1 1 396.447 3.977 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[N@H+]1C ZINC000611209350 843470591 /nfs/dbraw/zinc/47/05/91/843470591.db2.gz UBGFHBVCWYOCDG-ZIAGYGMSSA-N 1 1 377.510 3.842 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000015297938 843752702 /nfs/dbraw/zinc/75/27/02/843752702.db2.gz UPRSCUXIIBKLMX-UHFFFAOYSA-N 1 1 395.253 3.877 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000015297938 843752709 /nfs/dbraw/zinc/75/27/09/843752709.db2.gz UPRSCUXIIBKLMX-UHFFFAOYSA-N 1 1 395.253 3.877 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429894292 843847352 /nfs/dbraw/zinc/84/73/52/843847352.db2.gz CGISYONWADVJPH-WMZOPIPTSA-N 1 1 381.476 3.824 20 5 GHBDMO CC1(C)C[C@H](NCC2([NH+]3CCCCC3)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433282592 843955029 /nfs/dbraw/zinc/95/50/29/843955029.db2.gz MWDRDJSUDUEUEL-FQEVSTJZSA-N 1 1 387.524 3.942 20 5 GHBDMO COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610944714 844876377 /nfs/dbraw/zinc/87/63/77/844876377.db2.gz MTBJBADDBGTTEV-LJQANCHMSA-N 1 1 383.448 3.793 20 5 GHBDMO COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610944714 844876382 /nfs/dbraw/zinc/87/63/82/844876382.db2.gz MTBJBADDBGTTEV-LJQANCHMSA-N 1 1 383.448 3.793 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)ccc1Oc1ccc(F)cc1 ZINC000614453092 844895355 /nfs/dbraw/zinc/89/53/55/844895355.db2.gz JFKMHXXYPDLDJE-INIZCTEOSA-N 1 1 383.383 3.565 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](n3cncn3)C2)ccc1Oc1ccc(F)cc1 ZINC000614453092 844895366 /nfs/dbraw/zinc/89/53/66/844895366.db2.gz JFKMHXXYPDLDJE-INIZCTEOSA-N 1 1 383.383 3.565 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000513216645 845050554 /nfs/dbraw/zinc/05/05/54/845050554.db2.gz GFGFICIEDZNVRS-GOSISDBHSA-N 1 1 379.416 3.735 20 5 GHBDMO C/C(=C/C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785099945 845228532 /nfs/dbraw/zinc/22/85/32/845228532.db2.gz ZNAIZHZBPWUKAG-VLGSPTGOSA-N 1 1 379.460 3.733 20 5 GHBDMO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236989980 845452072 /nfs/dbraw/zinc/45/20/72/845452072.db2.gz FDBVINKLLMBHNU-RYUDHWBXSA-N 1 1 379.844 3.901 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000611560691 845458979 /nfs/dbraw/zinc/45/89/79/845458979.db2.gz VKNLVGZDHYTKPE-QRQLOZEOSA-N 1 1 386.496 3.849 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000182614376 845498119 /nfs/dbraw/zinc/49/81/19/845498119.db2.gz BMKCBRCAMPFSBQ-INIZCTEOSA-N 1 1 385.439 3.951 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000182614376 845498134 /nfs/dbraw/zinc/49/81/34/845498134.db2.gz BMKCBRCAMPFSBQ-INIZCTEOSA-N 1 1 385.439 3.951 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCSC[C@@H]3CCO)o2)c(Cl)c1 ZINC000538793551 845612873 /nfs/dbraw/zinc/61/28/73/845612873.db2.gz LAFXYSNMXVBSCN-ZDUSSCGKSA-N 1 1 382.869 3.808 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000433972905 845696992 /nfs/dbraw/zinc/69/69/92/845696992.db2.gz UPMWKIGFCLZISV-UHFFFAOYSA-N 1 1 385.386 3.704 20 5 GHBDMO CCOc1cc(C[N@@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001167517003 846020103 /nfs/dbraw/zinc/02/01/03/846020103.db2.gz MNDDLYAONOUALI-INIZCTEOSA-N 1 1 393.484 3.825 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001167517003 846020107 /nfs/dbraw/zinc/02/01/07/846020107.db2.gz MNDDLYAONOUALI-INIZCTEOSA-N 1 1 393.484 3.825 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCCCC2 ZINC001167540024 846107835 /nfs/dbraw/zinc/10/78/35/846107835.db2.gz UICFAZBVYMRYPU-OALUTQOASA-N 1 1 390.480 3.941 20 5 GHBDMO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1-n1cccn1 ZINC000183139375 846377587 /nfs/dbraw/zinc/37/75/87/846377587.db2.gz ABWDPFKCGUZIAA-AWEZNQCLSA-N 1 1 390.403 3.681 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000551599361 846449621 /nfs/dbraw/zinc/44/96/21/846449621.db2.gz IGJVUPORZCUBOV-IBGZPJMESA-N 1 1 395.503 3.853 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501004485 846535558 /nfs/dbraw/zinc/53/55/58/846535558.db2.gz AMRDOIQVDNHFRY-IBGZPJMESA-N 1 1 393.447 3.647 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000511091521 846629426 /nfs/dbraw/zinc/62/94/26/846629426.db2.gz LYJPZLNCZYEFOZ-KNQAVFIVSA-N 1 1 384.476 3.524 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000502955939 846652186 /nfs/dbraw/zinc/65/21/86/846652186.db2.gz MHTBAKLYSVMEJC-MRXNPFEDSA-N 1 1 398.463 3.663 20 5 GHBDMO Cc1nc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)cs1 ZINC000413124307 846675775 /nfs/dbraw/zinc/67/57/75/846675775.db2.gz CFTYNUHLYMAYJS-UHFFFAOYSA-N 1 1 383.477 3.620 20 5 GHBDMO Cc1nc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)cs1 ZINC000413124307 846675782 /nfs/dbraw/zinc/67/57/82/846675782.db2.gz CFTYNUHLYMAYJS-UHFFFAOYSA-N 1 1 383.477 3.620 20 5 GHBDMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097518 846809950 /nfs/dbraw/zinc/80/99/50/846809950.db2.gz WEZJPISWJOFKRP-LSDHHAIUSA-N 1 1 389.883 3.988 20 5 GHBDMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097518 846809960 /nfs/dbraw/zinc/80/99/60/846809960.db2.gz WEZJPISWJOFKRP-LSDHHAIUSA-N 1 1 389.883 3.988 20 5 GHBDMO C[N@@H+](CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000545874522 846948365 /nfs/dbraw/zinc/94/83/65/846948365.db2.gz DBONQIVLWILIFO-UHFFFAOYSA-N 1 1 379.476 3.782 20 5 GHBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000478506690 847105941 /nfs/dbraw/zinc/10/59/41/847105941.db2.gz KQUBTNSMRWEUKD-BEFAXECRSA-N 1 1 397.475 3.552 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000501813610 847194019 /nfs/dbraw/zinc/19/40/19/847194019.db2.gz PFUQXWAZKYCVOM-NRFANRHFSA-N 1 1 381.476 3.716 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](CO)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420931033 847549647 /nfs/dbraw/zinc/54/96/47/847549647.db2.gz DAONYNLJOZYVAW-FVJLSDCUSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](CO)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420931033 847549660 /nfs/dbraw/zinc/54/96/60/847549660.db2.gz DAONYNLJOZYVAW-FVJLSDCUSA-N 1 1 397.475 3.533 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)cc1OC ZINC000611667185 847852270 /nfs/dbraw/zinc/85/22/70/847852270.db2.gz DGRUJKHXZDJMCG-QRWLVFNGSA-N 1 1 378.469 3.641 20 5 GHBDMO Cc1c(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000479830817 847898334 /nfs/dbraw/zinc/89/83/34/847898334.db2.gz SPENZZQVEPGYJQ-HXUWFJFHSA-N 1 1 382.464 3.935 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000128112770 848072251 /nfs/dbraw/zinc/07/22/51/848072251.db2.gz VQNDIIOXFNAPHQ-IBGZPJMESA-N 1 1 386.448 3.793 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611706581 848205818 /nfs/dbraw/zinc/20/58/18/848205818.db2.gz KNZITPYFGQDWAH-INIZCTEOSA-N 1 1 377.448 3.639 20 5 GHBDMO COc1cc(CNCC(C)(C)[NH+](C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061015298 848206725 /nfs/dbraw/zinc/20/67/25/848206725.db2.gz RAQPNGZMJYNYMI-UHFFFAOYSA-N 1 1 387.480 3.612 20 5 GHBDMO Cc1cc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc([N+](=O)[O-])c1 ZINC000582827458 848491957 /nfs/dbraw/zinc/49/19/57/848491957.db2.gz OQFZBISOJFQKEA-MRXNPFEDSA-N 1 1 379.420 3.728 20 5 GHBDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000029615730 862014604 /nfs/dbraw/zinc/01/46/04/862014604.db2.gz XGZSGCHBPHLJJE-KGLIPLIRSA-N 1 1 387.436 3.598 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600470098 862035683 /nfs/dbraw/zinc/03/56/83/862035683.db2.gz FMWKZVAHKCYHRQ-MRXNPFEDSA-N 1 1 377.510 3.842 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000278248867 849865350 /nfs/dbraw/zinc/86/53/50/849865350.db2.gz GQHYEOHRTGDLBE-UHFFFAOYSA-N 1 1 392.415 3.530 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@](C)(c3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC000435031802 850014545 /nfs/dbraw/zinc/01/45/45/850014545.db2.gz BNSTZPZOQDWZJX-JOCHJYFZSA-N 1 1 398.459 3.619 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC001269899481 850073687 /nfs/dbraw/zinc/07/36/87/850073687.db2.gz IJRDQLCRTIGRSP-NRFANRHFSA-N 1 1 399.466 3.693 20 5 GHBDMO Cc1c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cccc1[N+](=O)[O-] ZINC000504601268 850170219 /nfs/dbraw/zinc/17/02/19/850170219.db2.gz IYINTGKSCWVFFE-INIZCTEOSA-N 1 1 389.402 3.999 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000024960954 850333163 /nfs/dbraw/zinc/33/31/63/850333163.db2.gz FTIDILJOYQWNAP-HZPDHXFCSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1c(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435323077 850353779 /nfs/dbraw/zinc/35/37/79/850353779.db2.gz JLZQUKHYFDPFBW-NSHDSACASA-N 1 1 399.289 3.662 20 5 GHBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435327537 850360657 /nfs/dbraw/zinc/36/06/57/850360657.db2.gz HLAVENNXIJPWRB-SNVBAGLBSA-N 1 1 387.278 3.518 20 5 GHBDMO COc1cccc(C2(C[NH2+][C@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000514929632 850497983 /nfs/dbraw/zinc/49/79/83/850497983.db2.gz VTWDTBZCSUWZSS-FQEVSTJZSA-N 1 1 392.459 3.748 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000174618022 850538119 /nfs/dbraw/zinc/53/81/19/850538119.db2.gz QVDBCPYCOLAGAS-LBPRGKRZSA-N 1 1 377.828 3.975 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000174618022 850538129 /nfs/dbraw/zinc/53/81/29/850538129.db2.gz QVDBCPYCOLAGAS-LBPRGKRZSA-N 1 1 377.828 3.975 20 5 GHBDMO CC(C)(C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000425012812 850863998 /nfs/dbraw/zinc/86/39/98/850863998.db2.gz PXKUBHANQGCSNF-GHTZIAJQSA-N 1 1 393.487 3.605 20 5 GHBDMO COc1cccc(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000435931670 851006390 /nfs/dbraw/zinc/00/63/90/851006390.db2.gz YLOBIHDBRXRVPM-FUHWJXTLSA-N 1 1 397.475 3.634 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000434447401 851119035 /nfs/dbraw/zinc/11/90/35/851119035.db2.gz UYEGMMHHWVQOCH-HNNXBMFYSA-N 1 1 393.462 3.567 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000604472182 862214297 /nfs/dbraw/zinc/21/42/97/862214297.db2.gz IZFMCULESMXWQW-QGZVFWFLSA-N 1 1 393.443 3.983 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000425461716 851186538 /nfs/dbraw/zinc/18/65/38/851186538.db2.gz SEHVVAGQXFDKOW-RULNZOCKSA-N 1 1 397.294 3.946 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436119950 851225168 /nfs/dbraw/zinc/22/51/68/851225168.db2.gz UZHWPCVITLGRDP-CYBMUJFWSA-N 1 1 399.441 3.564 20 5 GHBDMO C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@H+]1CCC[C@H](C)C1 ZINC000436113436 851241511 /nfs/dbraw/zinc/24/15/11/851241511.db2.gz YVSDYONLNTYTSF-GJZGRUSLSA-N 1 1 395.478 3.671 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@](C)(c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000434748894 851618106 /nfs/dbraw/zinc/61/81/06/851618106.db2.gz TXMGWDBERIAFPJ-OAQYLSRUSA-N 1 1 383.448 3.514 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@](C)(c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000434748894 851618111 /nfs/dbraw/zinc/61/81/11/851618111.db2.gz TXMGWDBERIAFPJ-OAQYLSRUSA-N 1 1 383.448 3.514 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000550126465 851694512 /nfs/dbraw/zinc/69/45/12/851694512.db2.gz NJAGPABSUBOPLN-UHFFFAOYSA-N 1 1 389.839 3.860 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000550126465 851694517 /nfs/dbraw/zinc/69/45/17/851694517.db2.gz NJAGPABSUBOPLN-UHFFFAOYSA-N 1 1 389.839 3.860 20 5 GHBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@H+](C2CCC2)C1 ZINC000488750754 851750507 /nfs/dbraw/zinc/75/05/07/851750507.db2.gz LEGZFFHTLFTOMZ-KRWDZBQOSA-N 1 1 396.491 3.879 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000843754552 851861001 /nfs/dbraw/zinc/86/10/01/851861001.db2.gz VSHKGPHXESTMDT-MRXNPFEDSA-N 1 1 375.400 3.592 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000843757215 852061803 /nfs/dbraw/zinc/06/18/03/852061803.db2.gz ZLIVIETZAXQHIF-INIZCTEOSA-N 1 1 379.819 3.728 20 5 GHBDMO C[C@@]1(c2ccccc2)CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000438487859 852466548 /nfs/dbraw/zinc/46/65/48/852466548.db2.gz FVADVWVHLIKKHA-OAQYLSRUSA-N 1 1 381.432 3.556 20 5 GHBDMO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000489865560 852615713 /nfs/dbraw/zinc/61/57/13/852615713.db2.gz XFGJTPOBPLRIRL-APWZRJJASA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000489896830 852630966 /nfs/dbraw/zinc/63/09/66/852630966.db2.gz GGWPTOSAQQTTRV-SJORKVTESA-N 1 1 376.501 3.918 20 5 GHBDMO C[N@@H+](Cc1ccccc1-c1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000507250019 852707175 /nfs/dbraw/zinc/70/71/75/852707175.db2.gz BZYQPJJIHRKBGA-UHFFFAOYSA-N 1 1 375.428 3.993 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)cc(OC)c1 ZINC000490049545 852735659 /nfs/dbraw/zinc/73/56/59/852735659.db2.gz ODRVIWUBBDAEHH-QGZVFWFLSA-N 1 1 385.464 3.997 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000516854966 853071069 /nfs/dbraw/zinc/07/10/69/853071069.db2.gz GKJQUHOFVMPSNL-IBGZPJMESA-N 1 1 399.466 3.647 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000516898819 853140399 /nfs/dbraw/zinc/14/03/99/853140399.db2.gz IZNRHYFGKXUSHB-LJQANCHMSA-N 1 1 381.476 3.935 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1c1ccccc1 ZINC000491114729 853444033 /nfs/dbraw/zinc/44/40/33/853444033.db2.gz BEKRIKUXUBVBME-IRXDYDNUSA-N 1 1 393.365 3.789 20 5 GHBDMO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000294049132 853883063 /nfs/dbraw/zinc/88/30/63/853883063.db2.gz WXZOOMSJQICZTK-CQSZACIVSA-N 1 1 394.518 3.580 20 5 GHBDMO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000294049132 853883067 /nfs/dbraw/zinc/88/30/67/853883067.db2.gz WXZOOMSJQICZTK-CQSZACIVSA-N 1 1 394.518 3.580 20 5 GHBDMO C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507741913 854266643 /nfs/dbraw/zinc/26/66/43/854266643.db2.gz SZVHYRPWLPGNNL-OAHLLOKOSA-N 1 1 375.419 3.794 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000133495247 862569764 /nfs/dbraw/zinc/56/97/64/862569764.db2.gz RLFNEAZHRSPCJP-UHFFFAOYSA-N 1 1 394.475 3.775 20 5 GHBDMO COc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc([N+](=O)[O-])c1C ZINC000253279436 854864209 /nfs/dbraw/zinc/86/42/09/854864209.db2.gz SENXZNUPOPQZSU-NVXWUHKLSA-N 1 1 389.496 3.638 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)c1 ZINC000589499730 854910446 /nfs/dbraw/zinc/91/04/46/854910446.db2.gz AJRLKTODLOCATD-INIZCTEOSA-N 1 1 375.450 3.656 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c1 ZINC000589499730 854910455 /nfs/dbraw/zinc/91/04/55/854910455.db2.gz AJRLKTODLOCATD-INIZCTEOSA-N 1 1 375.450 3.656 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000057005414 855163884 /nfs/dbraw/zinc/16/38/84/855163884.db2.gz MXYKYHGPZVLEPQ-KRWDZBQOSA-N 1 1 396.491 3.969 20 5 GHBDMO Cc1ccc(-c2noc([C@@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000543545638 862647521 /nfs/dbraw/zinc/64/75/21/862647521.db2.gz IPHUVXPSDNCDOT-CYBMUJFWSA-N 1 1 386.383 3.822 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000301549332 855237877 /nfs/dbraw/zinc/23/78/77/855237877.db2.gz QKPMDCZNPTWSBJ-UHFFFAOYSA-N 1 1 379.258 3.816 20 5 GHBDMO C[C@@H]1C[C@@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000301551182 855241408 /nfs/dbraw/zinc/24/14/08/855241408.db2.gz QNNAPAUYGCMCRW-ZBFHGGJFSA-N 1 1 393.447 3.709 20 5 GHBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123032410 855307072 /nfs/dbraw/zinc/30/70/72/855307072.db2.gz GTHMQJOMBYUMKU-QGZVFWFLSA-N 1 1 390.443 3.537 20 5 GHBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)[C@H]2C1 ZINC000590444258 855423347 /nfs/dbraw/zinc/42/33/47/855423347.db2.gz NJWYCCWIBMTEAV-KDOFPFPSSA-N 1 1 383.473 3.522 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000184658592 855470611 /nfs/dbraw/zinc/47/06/11/855470611.db2.gz LZUFUPMZKMBGIB-NRFANRHFSA-N 1 1 395.503 3.898 20 5 GHBDMO COC(=O)c1ccnc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000590571433 855494304 /nfs/dbraw/zinc/49/43/04/855494304.db2.gz FRLJWIMXDSINBO-OAHLLOKOSA-N 1 1 398.463 3.763 20 5 GHBDMO Cc1ccc(N2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c([N+](=O)[O-])c1 ZINC000856534690 881344958 /nfs/dbraw/zinc/34/49/58/881344958.db2.gz ASPGWNKTEOCJLO-IBGZPJMESA-N 1 1 384.480 3.796 20 5 GHBDMO Cn1cc[nH+]c1CC1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485405115 856464232 /nfs/dbraw/zinc/46/42/32/856464232.db2.gz YPEAOZCDVHJDQA-UHFFFAOYSA-N 1 1 395.438 3.989 20 5 GHBDMO COc1nc(C)cc(C)c1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133483 856662119 /nfs/dbraw/zinc/66/21/19/856662119.db2.gz VQVNDMDZZCZHLL-WGSAOQKQSA-N 1 1 399.491 3.921 20 5 GHBDMO COc1nc(C)cc(C)c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133483 856662121 /nfs/dbraw/zinc/66/21/21/856662121.db2.gz VQVNDMDZZCZHLL-WGSAOQKQSA-N 1 1 399.491 3.921 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000542915513 856787330 /nfs/dbraw/zinc/78/73/30/856787330.db2.gz OGLIDSHOPBTWAN-XYJFISCASA-N 1 1 393.528 3.943 20 5 GHBDMO CCc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000173490936 856954855 /nfs/dbraw/zinc/95/48/55/856954855.db2.gz IYZHRKCWOLPTMM-GOSISDBHSA-N 1 1 381.476 3.751 20 5 GHBDMO CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173712928 857101550 /nfs/dbraw/zinc/10/15/50/857101550.db2.gz IBHGQXZIERPBRC-GOSISDBHSA-N 1 1 392.459 3.813 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000542972103 857261052 /nfs/dbraw/zinc/26/10/52/857261052.db2.gz ZDYXMMZUPLQHQU-AWEZNQCLSA-N 1 1 385.420 3.518 20 5 GHBDMO C[C@@H](NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000429252996 857402819 /nfs/dbraw/zinc/40/28/19/857402819.db2.gz GZRXCNJTDQAIID-CYBMUJFWSA-N 1 1 375.856 3.950 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000301794509 857767961 /nfs/dbraw/zinc/76/79/61/857767961.db2.gz SKXLQBKIQQGZGP-BLLLJJGKSA-N 1 1 380.286 3.810 20 5 GHBDMO CSc1ccc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000521260600 857794295 /nfs/dbraw/zinc/79/42/95/857794295.db2.gz GHGZICMJKQNBQO-LZWOXQAQSA-N 1 1 377.510 3.794 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000301805172 857816143 /nfs/dbraw/zinc/81/61/43/857816143.db2.gz XOLMKJTXAQUTPP-DOMZBBRYSA-N 1 1 380.286 3.810 20 5 GHBDMO COc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000058952502 857833738 /nfs/dbraw/zinc/83/37/38/857833738.db2.gz BYCWSWREZXCELG-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000114193572 857935820 /nfs/dbraw/zinc/93/58/20/857935820.db2.gz PKCDKXXDXANZAQ-OAQYLSRUSA-N 1 1 397.475 3.604 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)c2C1 ZINC000066514413 858162372 /nfs/dbraw/zinc/16/23/72/858162372.db2.gz HKFJSEWGPWEULG-UHFFFAOYSA-N 1 1 391.431 3.758 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)c2C1 ZINC000066514413 858162381 /nfs/dbraw/zinc/16/23/81/858162381.db2.gz HKFJSEWGPWEULG-UHFFFAOYSA-N 1 1 391.431 3.758 20 5 GHBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442886878 858207587 /nfs/dbraw/zinc/20/75/87/858207587.db2.gz VEMFHEVGJVNOLW-FQEVSTJZSA-N 1 1 378.432 3.704 20 5 GHBDMO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301844821 858218848 /nfs/dbraw/zinc/21/88/48/858218848.db2.gz SPZBKACUNYWPRR-XHHUKKHSSA-N 1 1 381.432 3.638 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592883100 858337285 /nfs/dbraw/zinc/33/72/85/858337285.db2.gz WPBNHXMAWKAAAU-WBVHZDCISA-N 1 1 387.867 3.632 20 5 GHBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595041256 858376510 /nfs/dbraw/zinc/37/65/10/858376510.db2.gz DDMXMTPFJYLGFL-ZIAGYGMSSA-N 1 1 392.477 3.809 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCN(C2CCCCC2)C1=O ZINC000595039436 858376529 /nfs/dbraw/zinc/37/65/29/858376529.db2.gz FWTHXIWJPWFWCF-KDOFPFPSSA-N 1 1 375.469 3.578 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000595049067 858379010 /nfs/dbraw/zinc/37/90/10/858379010.db2.gz UHWXKVPDRFBKJA-ACJLOTCBSA-N 1 1 382.420 3.929 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595359212 858517239 /nfs/dbraw/zinc/51/72/39/858517239.db2.gz INZQAIGSHYGPRR-ZDUSSCGKSA-N 1 1 392.818 3.633 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595359212 858517242 /nfs/dbraw/zinc/51/72/42/858517242.db2.gz INZQAIGSHYGPRR-ZDUSSCGKSA-N 1 1 392.818 3.633 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000575124243 858572997 /nfs/dbraw/zinc/57/29/97/858572997.db2.gz YBZSLAHFXVKXNN-DYESRHJHSA-N 1 1 396.491 3.644 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1c[nH]c2ccccc12 ZINC000190477271 858654818 /nfs/dbraw/zinc/65/48/18/858654818.db2.gz SPZJHYVSAHOHIT-UHFFFAOYSA-N 1 1 396.447 3.935 20 5 GHBDMO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000595777674 858685373 /nfs/dbraw/zinc/68/53/73/858685373.db2.gz JBHMSFTZUUXFLB-HOTGVXAUSA-N 1 1 386.452 3.861 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595790807 858689805 /nfs/dbraw/zinc/68/98/05/858689805.db2.gz YDDBSLQEQOMIPP-APWZRJJASA-N 1 1 375.469 3.513 20 5 GHBDMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596130899 858788058 /nfs/dbraw/zinc/78/80/58/858788058.db2.gz GTUNZBDRAHLJQM-AWEZNQCLSA-N 1 1 391.422 3.550 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856535395 881346133 /nfs/dbraw/zinc/34/61/33/881346133.db2.gz XQCKCDIBTXZNDN-LJQANCHMSA-N 1 1 384.480 3.796 20 5 GHBDMO O=C(c1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596478939 858907551 /nfs/dbraw/zinc/90/75/51/858907551.db2.gz PQHCSCXBNJSVNO-KRWDZBQOSA-N 1 1 386.496 3.650 20 5 GHBDMO COc1ccc2cc(C[N@@H+](C)C[C@H](O)COc3cccc([N+](=O)[O-])c3)ccc2c1 ZINC000025233918 858995968 /nfs/dbraw/zinc/99/59/68/858995968.db2.gz OURDIRHKLORUPJ-FQEVSTJZSA-N 1 1 396.443 3.628 20 5 GHBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000068360375 859000218 /nfs/dbraw/zinc/00/02/18/859000218.db2.gz OGJASVXMTWHBMN-HNNXBMFYSA-N 1 1 394.431 3.958 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000543242206 859005815 /nfs/dbraw/zinc/00/58/15/859005815.db2.gz FXOCHEHMXYZHSY-UHFFFAOYSA-N 1 1 379.416 3.867 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4cccnc34)c2)CCO1 ZINC000301934147 859159661 /nfs/dbraw/zinc/15/96/61/859159661.db2.gz RLJYJVQOZXUNGP-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4cccnc34)c2)CCO1 ZINC000301934147 859159667 /nfs/dbraw/zinc/15/96/67/859159667.db2.gz RLJYJVQOZXUNGP-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543642157 859172431 /nfs/dbraw/zinc/17/24/31/859172431.db2.gz RVGOKWGDXLALQH-GJZGRUSLSA-N 1 1 378.448 3.852 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC001170354053 881392226 /nfs/dbraw/zinc/39/22/26/881392226.db2.gz HOMCSXGDCZYCOM-VQIMIIECSA-N 1 1 385.464 3.781 20 5 GHBDMO C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@H+]1Cc1ccccc1 ZINC000160858943 859290269 /nfs/dbraw/zinc/29/02/69/859290269.db2.gz GUUNQWCWRHFXJJ-YOEHRIQHSA-N 1 1 380.448 3.554 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597231667 859365565 /nfs/dbraw/zinc/36/55/65/859365565.db2.gz PFTJSMJJCTXCFZ-PKOBYXMFSA-N 1 1 398.459 3.651 20 5 GHBDMO O=C(CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000117352256 859407115 /nfs/dbraw/zinc/40/71/15/859407115.db2.gz BZEYSDYYKLTPMU-UHFFFAOYSA-N 1 1 399.291 3.740 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(OCc3ccccc3)CC1)OCCO2 ZINC000611253211 859663776 /nfs/dbraw/zinc/66/37/76/859663776.db2.gz UCETUOUXBWWNES-UHFFFAOYSA-N 1 1 384.432 3.547 20 5 GHBDMO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCC2 ZINC000611274803 859678282 /nfs/dbraw/zinc/67/82/82/859678282.db2.gz RZHYJOODILRUKV-CQSZACIVSA-N 1 1 389.477 3.894 20 5 GHBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCC2 ZINC000611274803 859678286 /nfs/dbraw/zinc/67/82/86/859678286.db2.gz RZHYJOODILRUKV-CQSZACIVSA-N 1 1 389.477 3.894 20 5 GHBDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000301986680 859695878 /nfs/dbraw/zinc/69/58/78/859695878.db2.gz KKAMXCGBPLRGKH-AWEZNQCLSA-N 1 1 398.438 3.502 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611351205 859715120 /nfs/dbraw/zinc/71/51/20/859715120.db2.gz XWYIITDWXKOYGT-KFWWJZLASA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611351205 859715125 /nfs/dbraw/zinc/71/51/25/859715125.db2.gz XWYIITDWXKOYGT-KFWWJZLASA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765026806 859750834 /nfs/dbraw/zinc/75/08/34/859750834.db2.gz KUESDKALNRAKLO-QRWLVFNGSA-N 1 1 375.469 3.989 20 5 GHBDMO Cc1nn(C[NH+]2CCC(N(C)c3ccccc3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765069403 859765285 /nfs/dbraw/zinc/76/52/85/859765285.db2.gz XUZJHBPRQJZWCI-UHFFFAOYSA-N 1 1 379.464 3.811 20 5 GHBDMO CC[N@@H+](Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000092407373 860041421 /nfs/dbraw/zinc/04/14/21/860041421.db2.gz KHGYXLWIIXBYJN-ZDUSSCGKSA-N 1 1 392.374 3.545 20 5 GHBDMO CC[N@H+](Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000092407373 860041464 /nfs/dbraw/zinc/04/14/64/860041464.db2.gz KHGYXLWIIXBYJN-ZDUSSCGKSA-N 1 1 392.374 3.545 20 5 GHBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123734823 860063355 /nfs/dbraw/zinc/06/33/55/860063355.db2.gz UXKNCQBPWWUPRP-KSSFIOAISA-N 1 1 391.830 3.810 20 5 GHBDMO CCCc1noc([C@H]2CCC[N@H+]([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)n1 ZINC001170352045 881498352 /nfs/dbraw/zinc/49/83/52/881498352.db2.gz KGFAQPBXXQLKIR-ZBFHGGJFSA-N 1 1 388.468 3.750 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000555150802 860131837 /nfs/dbraw/zinc/13/18/37/860131837.db2.gz HGUILKVOLZZKMT-FUHWJXTLSA-N 1 1 397.475 3.885 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000598195043 860139789 /nfs/dbraw/zinc/13/97/89/860139789.db2.gz JXLNKGIUFQMQQN-SFHVURJKSA-N 1 1 387.867 3.637 20 5 GHBDMO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000484700837 860263719 /nfs/dbraw/zinc/26/37/19/860263719.db2.gz SFQSLIYZEACCIE-PVPMGCCUSA-N 1 1 375.494 3.562 20 5 GHBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000484700837 860263725 /nfs/dbraw/zinc/26/37/25/860263725.db2.gz SFQSLIYZEACCIE-PVPMGCCUSA-N 1 1 375.494 3.562 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598395084 860276710 /nfs/dbraw/zinc/27/67/10/860276710.db2.gz BKRHYVPGVQSYRR-FQEVSTJZSA-N 1 1 393.487 3.556 20 5 GHBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1csc([N+](=O)[O-])c1 ZINC000598396501 860279014 /nfs/dbraw/zinc/27/90/14/860279014.db2.gz LPWCVDOREMPRSZ-QGZVFWFLSA-N 1 1 385.489 3.688 20 5 GHBDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000154890088 860314125 /nfs/dbraw/zinc/31/41/25/860314125.db2.gz GUGONDMEVOQREE-HZPDHXFCSA-N 1 1 388.537 3.610 20 5 GHBDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093754807 860342916 /nfs/dbraw/zinc/34/29/16/860342916.db2.gz BMHFKIPIWNIPLQ-HNNXBMFYSA-N 1 1 376.478 3.808 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2cnc(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000602956238 860381268 /nfs/dbraw/zinc/38/12/68/860381268.db2.gz NBJLDHJALZHHQH-SECBINFHSA-N 1 1 387.408 3.863 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474594784 860434272 /nfs/dbraw/zinc/43/42/72/860434272.db2.gz GCJABSPHHGDTLE-GOSISDBHSA-N 1 1 382.464 3.950 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000484912682 860481975 /nfs/dbraw/zinc/48/19/75/860481975.db2.gz SPBHJKYXVOCKNH-LJQANCHMSA-N 1 1 381.476 3.935 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000124752471 860486059 /nfs/dbraw/zinc/48/60/59/860486059.db2.gz VPXOCSCYVNOKJY-CRAIPNDOSA-N 1 1 382.464 3.893 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc4ncccc4c3[N+](=O)[O-])c2)CCO1 ZINC000484961505 860542026 /nfs/dbraw/zinc/54/20/26/860542026.db2.gz SVRNTJNBJQIUOC-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc4ncccc4c3[N+](=O)[O-])c2)CCO1 ZINC000484961505 860542034 /nfs/dbraw/zinc/54/20/34/860542034.db2.gz SVRNTJNBJQIUOC-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc4ncccc4c3[N+](=O)[O-])c2)CCO1 ZINC000484961503 860542197 /nfs/dbraw/zinc/54/21/97/860542197.db2.gz SVRNTJNBJQIUOC-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc4ncccc4c3[N+](=O)[O-])c2)CCO1 ZINC000484961503 860542199 /nfs/dbraw/zinc/54/21/99/860542199.db2.gz SVRNTJNBJQIUOC-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000603249332 860586817 /nfs/dbraw/zinc/58/68/17/860586817.db2.gz GWAULHYORNGQHP-BTYIYWSLSA-N 1 1 377.448 3.881 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000599058292 860767769 /nfs/dbraw/zinc/76/77/69/860767769.db2.gz HFYFHLJYMPLUIN-IYWMVGAKSA-N 1 1 394.862 3.999 20 5 GHBDMO C[N@H+]1CCCC[C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000599138617 860844803 /nfs/dbraw/zinc/84/48/03/860844803.db2.gz HHJACFYXKZNZSP-SNVBAGLBSA-N 1 1 382.333 3.788 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185625503 861097942 /nfs/dbraw/zinc/09/79/42/861097942.db2.gz UPNRUCCJVPCMHI-SNVBAGLBSA-N 1 1 386.374 3.830 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000480061267 863928460 /nfs/dbraw/zinc/92/84/60/863928460.db2.gz XPBIAYHZSGTQAB-OAQYLSRUSA-N 1 1 383.496 3.612 20 5 GHBDMO Cc1c(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000480069653 863995104 /nfs/dbraw/zinc/99/51/04/863995104.db2.gz LXSHEPJJXTYOLN-WMZOPIPTSA-N 1 1 388.512 3.699 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000475103993 864203156 /nfs/dbraw/zinc/20/31/56/864203156.db2.gz OFINWXFQRCXKQV-JQYPEGPJSA-N 1 1 396.443 3.824 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cccc1[N+](=O)[O-] ZINC000792916535 881810626 /nfs/dbraw/zinc/81/06/26/881810626.db2.gz YSKSWYAWEIWAJF-GOEBONIOSA-N 1 1 386.279 3.748 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000554843242 865004173 /nfs/dbraw/zinc/00/41/73/865004173.db2.gz JGMFYHRUCKUNHU-UHFFFAOYSA-N 1 1 397.353 3.606 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000554843242 865004182 /nfs/dbraw/zinc/00/41/82/865004182.db2.gz JGMFYHRUCKUNHU-UHFFFAOYSA-N 1 1 397.353 3.606 20 5 GHBDMO COc1ccc([C@H]2[C@@H](COC(=O)c3cccc([N+](=O)[O-])c3)CCC[N@H+]2C)cc1 ZINC000735898370 865038568 /nfs/dbraw/zinc/03/85/68/865038568.db2.gz HMCJMBNDCBTEKE-XLIONFOSSA-N 1 1 384.432 3.843 20 5 GHBDMO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184919978 865042090 /nfs/dbraw/zinc/04/20/90/865042090.db2.gz XFPYXHDDRGMLKV-NVXWUHKLSA-N 1 1 385.439 3.618 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC(COc4ccccc4)CC3)n2)cc1 ZINC000738099931 865485489 /nfs/dbraw/zinc/48/54/89/865485489.db2.gz RBEKALKMPUNIFK-UHFFFAOYSA-N 1 1 393.447 3.602 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H](O)c1ccc(C)cc1 ZINC000174284145 865671263 /nfs/dbraw/zinc/67/12/63/865671263.db2.gz DAZPMOOCGUNMQE-SFHVURJKSA-N 1 1 382.420 3.509 20 5 GHBDMO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H](O)c1ccc(C)cc1 ZINC000174284145 865671270 /nfs/dbraw/zinc/67/12/70/865671270.db2.gz DAZPMOOCGUNMQE-SFHVURJKSA-N 1 1 382.420 3.509 20 5 GHBDMO CCCCCC[C@@](O)(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC ZINC001170425262 881914971 /nfs/dbraw/zinc/91/49/71/881914971.db2.gz SIAVZXWSGWGYTF-WIYYLYMNSA-N 1 1 392.496 3.649 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000481230410 866066113 /nfs/dbraw/zinc/06/61/13/866066113.db2.gz OREOETPZHJUNQY-UXHICEINSA-N 1 1 394.475 3.564 20 5 GHBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000185424916 866089876 /nfs/dbraw/zinc/08/98/76/866089876.db2.gz UROFRIMVVLBBRK-MRXNPFEDSA-N 1 1 391.537 3.949 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000741123010 866248629 /nfs/dbraw/zinc/24/86/29/866248629.db2.gz DLNYUELDSSNNER-OXQOHEQNSA-N 1 1 384.432 3.762 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000741123009 866248743 /nfs/dbraw/zinc/24/87/43/866248743.db2.gz DLNYUELDSSNNER-OXJNMPFZSA-N 1 1 384.432 3.762 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000475555798 866267348 /nfs/dbraw/zinc/26/73/48/866267348.db2.gz YHPFFLHPQFKJOI-OAHLLOKOSA-N 1 1 376.434 3.545 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000475555798 866267363 /nfs/dbraw/zinc/26/73/63/866267363.db2.gz YHPFFLHPQFKJOI-OAHLLOKOSA-N 1 1 376.434 3.545 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000065302481 866415880 /nfs/dbraw/zinc/41/58/80/866415880.db2.gz CCRIFBDHRDCZJV-SFHVURJKSA-N 1 1 382.464 3.937 20 5 GHBDMO CC[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)[N@H+]1CCc2ccccc2C1 ZINC000478764948 866599496 /nfs/dbraw/zinc/59/94/96/866599496.db2.gz YJTPDSRTKHCVMS-FQEVSTJZSA-N 1 1 396.491 3.539 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c(Br)cc1O ZINC000594507730 866842761 /nfs/dbraw/zinc/84/27/61/866842761.db2.gz QOLWLFZZHDQFGE-CQSZACIVSA-N 1 1 393.237 3.849 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475699139 882018163 /nfs/dbraw/zinc/01/81/63/882018163.db2.gz RYDYWCZIQIITDW-SFHVURJKSA-N 1 1 398.459 3.601 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000534523062 866939154 /nfs/dbraw/zinc/93/91/54/866939154.db2.gz FKJZWTNQIZOXFR-UHFFFAOYSA-N 1 1 382.283 3.741 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444611514 866948872 /nfs/dbraw/zinc/94/88/72/866948872.db2.gz RFIMYEQBQNRGER-UHFFFAOYSA-N 1 1 379.526 3.947 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOc3ccccc3C(F)(F)F)C2)nc1 ZINC000440494848 866995676 /nfs/dbraw/zinc/99/56/76/866995676.db2.gz AEYXANPMVJUWJB-ZDUSSCGKSA-N 1 1 396.369 3.574 20 5 GHBDMO CC(C)OC(=O)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444676374 867052970 /nfs/dbraw/zinc/05/29/70/867052970.db2.gz UNLYVVKCFUFTST-KRWDZBQOSA-N 1 1 382.420 3.644 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)nc1-c1ccncc1 ZINC000742147067 867081497 /nfs/dbraw/zinc/08/14/97/867081497.db2.gz AUOVUCCKHZXKKC-GOSISDBHSA-N 1 1 377.448 3.766 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000742411287 867277698 /nfs/dbraw/zinc/27/76/98/867277698.db2.gz NJJYDUSEGHFKMN-UHFFFAOYSA-N 1 1 393.403 3.968 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444902418 867426882 /nfs/dbraw/zinc/42/68/82/867426882.db2.gz MCYUZUPIPUOEFM-RDJZCZTQSA-N 1 1 398.463 3.636 20 5 GHBDMO COc1cc(C[N@@H+](C)C2CCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535080982 868125649 /nfs/dbraw/zinc/12/56/49/868125649.db2.gz GITZXAWWGMCJGJ-UHFFFAOYSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1ccc([C@H]2[C@@H](COC(=O)c3cc(C)ccc3[N+](=O)[O-])CC[N@H+]2C)cc1 ZINC000744152727 868627688 /nfs/dbraw/zinc/62/76/88/868627688.db2.gz OWWBJARNEHRYMC-UZLBHIALSA-N 1 1 384.432 3.762 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)c3cc(C)ccc3[N+](=O)[O-])CC[N@H+]2C)cc1 ZINC000744152726 868627968 /nfs/dbraw/zinc/62/79/68/868627968.db2.gz OWWBJARNEHRYMC-OXQOHEQNSA-N 1 1 384.432 3.762 20 5 GHBDMO COc1cc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000479863605 868659617 /nfs/dbraw/zinc/65/96/17/868659617.db2.gz UTDPHTVHFFHKEB-OAHLLOKOSA-N 1 1 385.464 3.552 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000539446360 869150843 /nfs/dbraw/zinc/15/08/43/869150843.db2.gz LILBUXYZHYBHNB-UHFFFAOYSA-N 1 1 396.491 3.993 20 5 GHBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000029839414 869207621 /nfs/dbraw/zinc/20/76/21/869207621.db2.gz AXNHPSCMZOSLNL-UHFFFAOYSA-N 1 1 395.484 3.988 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000440934748 869318501 /nfs/dbraw/zinc/31/85/01/869318501.db2.gz UKNCWJDUFGGRJX-CRAIPNDOSA-N 1 1 394.475 3.562 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000462503023 869565943 /nfs/dbraw/zinc/56/59/43/869565943.db2.gz QJDJWVUXAIGVHI-YLJYHZDGSA-N 1 1 383.492 3.800 20 5 GHBDMO CC[C@H]1C[C@@H](C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000793609357 882327361 /nfs/dbraw/zinc/32/73/61/882327361.db2.gz AOLJSYXRVFSRFI-STQMWFEESA-N 1 1 383.286 3.921 20 5 GHBDMO CC[C@H]1C[C@@H](C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000793609357 882327378 /nfs/dbraw/zinc/32/73/78/882327378.db2.gz AOLJSYXRVFSRFI-STQMWFEESA-N 1 1 383.286 3.921 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000595049070 869813890 /nfs/dbraw/zinc/81/38/90/869813890.db2.gz UHWXKVPDRFBKJA-SCLBCKFNSA-N 1 1 382.420 3.929 20 5 GHBDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539816902 869846207 /nfs/dbraw/zinc/84/62/07/869846207.db2.gz DQBBSOFEGFHGFV-CYBMUJFWSA-N 1 1 392.502 3.804 20 5 GHBDMO COc1cc(OC)cc(N2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000539863648 869915082 /nfs/dbraw/zinc/91/50/82/869915082.db2.gz MYPJIGVMFSQYPB-YVMONPNESA-N 1 1 397.475 3.838 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000525102312 870007463 /nfs/dbraw/zinc/00/74/63/870007463.db2.gz MZOFXLKXIGNABU-HUUCEWRRSA-N 1 1 399.447 3.608 20 5 GHBDMO CC[N@@H+](CCC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000540026172 870239614 /nfs/dbraw/zinc/23/96/14/870239614.db2.gz VRXLJSPGLONNGB-UHFFFAOYSA-N 1 1 399.495 3.582 20 5 GHBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000525267302 870272070 /nfs/dbraw/zinc/27/20/70/870272070.db2.gz MCSLBLRTDYTMOH-OAHLLOKOSA-N 1 1 387.402 3.608 20 5 GHBDMO NC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000130884057 870308896 /nfs/dbraw/zinc/30/88/96/870308896.db2.gz DJAKQTUCWZLUQE-SFHVURJKSA-N 1 1 385.420 3.779 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1OC(F)F ZINC000462924907 870413651 /nfs/dbraw/zinc/41/36/51/870413651.db2.gz SCKXNZGQBIDFTI-INIZCTEOSA-N 1 1 393.390 3.509 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1OC(F)F ZINC000462924907 870413667 /nfs/dbraw/zinc/41/36/67/870413667.db2.gz SCKXNZGQBIDFTI-INIZCTEOSA-N 1 1 393.390 3.509 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCSC[C@H]3CCO)o2)c(Cl)c1 ZINC000538793550 870660824 /nfs/dbraw/zinc/66/08/24/870660824.db2.gz LAFXYSNMXVBSCN-CYBMUJFWSA-N 1 1 382.869 3.808 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000463128667 870945994 /nfs/dbraw/zinc/94/59/94/870945994.db2.gz RLFIRTVSUATESG-QGZVFWFLSA-N 1 1 396.491 3.902 20 5 GHBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461783627 870951968 /nfs/dbraw/zinc/95/19/68/870951968.db2.gz FRAFCXABESHHPH-ZDUSSCGKSA-N 1 1 388.434 3.608 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001169041107 871118863 /nfs/dbraw/zinc/11/88/63/871118863.db2.gz MPQCRKCQQJJROC-OALUTQOASA-N 1 1 379.460 3.619 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001169041107 871118871 /nfs/dbraw/zinc/11/88/71/871118871.db2.gz MPQCRKCQQJJROC-OALUTQOASA-N 1 1 379.460 3.619 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1c1ccccc1 ZINC001169050040 871132372 /nfs/dbraw/zinc/13/23/72/871132372.db2.gz YJVQAKITZFHCRB-WDSOQIARSA-N 1 1 389.496 3.726 20 5 GHBDMO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1F ZINC000540415564 871222083 /nfs/dbraw/zinc/22/20/83/871222083.db2.gz UMFZEVDATLEEGX-MSOLQXFVSA-N 1 1 375.375 3.719 20 5 GHBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525709262 871270191 /nfs/dbraw/zinc/27/01/91/871270191.db2.gz JJGKKBGERMNCHE-QFBILLFUSA-N 1 1 399.491 3.755 20 5 GHBDMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525709260 871270669 /nfs/dbraw/zinc/27/06/69/871270669.db2.gz JJGKKBGERMNCHE-APWZRJJASA-N 1 1 399.491 3.755 20 5 GHBDMO CCc1ccc([C@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001194115571 871484320 /nfs/dbraw/zinc/48/43/20/871484320.db2.gz CJYOLQLMVHEGMB-IBGZPJMESA-N 1 1 381.476 4.000 20 5 GHBDMO COc1ccccc1C1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552252572 872337705 /nfs/dbraw/zinc/33/77/05/872337705.db2.gz QVDIZUDJOVPRFQ-FQEVSTJZSA-N 1 1 392.459 3.748 20 5 GHBDMO COc1cc(C[NH2+]Cc2c[nH]nc2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000171384358 882628649 /nfs/dbraw/zinc/62/86/49/882628649.db2.gz HPMMERCMWKSZGW-UHFFFAOYSA-N 1 1 382.420 3.504 20 5 GHBDMO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000619582441 872769486 /nfs/dbraw/zinc/76/94/86/872769486.db2.gz WPURSXISPPITLT-UHFFFAOYSA-N 1 1 394.475 3.747 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1OC ZINC000541058622 872813985 /nfs/dbraw/zinc/81/39/85/872813985.db2.gz UIECJWQRUCFTAE-GVDBMIGSSA-N 1 1 392.496 3.887 20 5 GHBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182852582 872835912 /nfs/dbraw/zinc/83/59/12/872835912.db2.gz SJUKUTBVTNJGNH-AWEZNQCLSA-N 1 1 384.358 3.526 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000463951616 872941494 /nfs/dbraw/zinc/94/14/94/872941494.db2.gz PBEZFMBDDSGMQT-QFBILLFUSA-N 1 1 382.464 3.854 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001196469212 873116909 /nfs/dbraw/zinc/11/69/09/873116909.db2.gz HTIUIXCFAWXJSB-BFUOFWGJSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001196469212 873116918 /nfs/dbraw/zinc/11/69/18/873116918.db2.gz HTIUIXCFAWXJSB-BFUOFWGJSA-N 1 1 379.432 3.613 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000768554673 873383959 /nfs/dbraw/zinc/38/39/59/873383959.db2.gz MBULJBCFJWCMAG-UHFFFAOYSA-N 1 1 387.867 3.985 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CCC(=O)Nc2ccccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541569716 873882774 /nfs/dbraw/zinc/88/27/74/873882774.db2.gz MAZSSCAPQVNIRM-NRFANRHFSA-N 1 1 394.431 3.853 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)ccc1[N+](=O)[O-] ZINC000858050142 882789326 /nfs/dbraw/zinc/78/93/26/882789326.db2.gz DADXSSFLLLUZTM-SFHVURJKSA-N 1 1 383.448 3.919 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000541720968 874166465 /nfs/dbraw/zinc/16/64/65/874166465.db2.gz RVMLULFEGQMPOI-HNNXBMFYSA-N 1 1 379.526 3.949 20 5 GHBDMO Cc1cccc(NC2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000153022062 874193549 /nfs/dbraw/zinc/19/35/49/874193549.db2.gz GSJXBNUWUXLEPY-INIZCTEOSA-N 1 1 382.464 3.807 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804425895 882837110 /nfs/dbraw/zinc/83/71/10/882837110.db2.gz WXMYCDUXVPVXDY-UHFFFAOYSA-N 1 1 384.436 3.851 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOC[C@@H]3c3ccccc3)o2)c1 ZINC000464832141 874600810 /nfs/dbraw/zinc/60/08/10/874600810.db2.gz BTXAKSBPJDVFHV-LJQANCHMSA-N 1 1 379.416 3.866 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1Br ZINC000770374964 874616104 /nfs/dbraw/zinc/61/61/04/874616104.db2.gz OYSRHYGPHPMVKF-RHSMWYFYSA-N 1 1 394.313 3.806 20 5 GHBDMO COc1cc(C[NH+]2CCC(CF)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449454123 874878744 /nfs/dbraw/zinc/87/87/44/874878744.db2.gz JKGWVMCFGUCEDQ-UHFFFAOYSA-N 1 1 380.338 3.726 20 5 GHBDMO Cc1nn(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449499520 874960665 /nfs/dbraw/zinc/96/06/65/874960665.db2.gz MFPYBMNDXQAIAP-GOSISDBHSA-N 1 1 377.448 3.864 20 5 GHBDMO Cc1nn(-c2ccncc2)cc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449499520 874960671 /nfs/dbraw/zinc/96/06/71/874960671.db2.gz MFPYBMNDXQAIAP-GOSISDBHSA-N 1 1 377.448 3.864 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000465186126 875267395 /nfs/dbraw/zinc/26/73/95/875267395.db2.gz GHJUUMRMOVWNPM-OAHLLOKOSA-N 1 1 399.447 3.576 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000542352080 875440355 /nfs/dbraw/zinc/44/03/55/875440355.db2.gz HVRDCJDADAQJAT-AWEZNQCLSA-N 1 1 397.928 3.531 20 5 GHBDMO CCOc1cc(C[NH2+][C@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000491606787 875838470 /nfs/dbraw/zinc/83/84/70/875838470.db2.gz IWJSJFGBNDJABI-OAHLLOKOSA-N 1 1 395.253 3.579 20 5 GHBDMO C[N@H+](CCCOc1ccc(F)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030267211 875949113 /nfs/dbraw/zinc/94/91/13/875949113.db2.gz NZFIQYLNKINPLB-UHFFFAOYSA-N 1 1 395.818 3.727 20 5 GHBDMO C[N@@H+](CCCOc1ccc(F)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030267211 875949123 /nfs/dbraw/zinc/94/91/23/875949123.db2.gz NZFIQYLNKINPLB-UHFFFAOYSA-N 1 1 395.818 3.727 20 5 GHBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000450385321 876361374 /nfs/dbraw/zinc/36/13/74/876361374.db2.gz CBGLILJJCSPVIL-LIRRHRJNSA-N 1 1 382.464 3.605 20 5 GHBDMO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160227 877465063 /nfs/dbraw/zinc/46/50/63/877465063.db2.gz BNRAOMHLGJRWKL-AOMKIAJQSA-N 1 1 392.459 3.844 20 5 GHBDMO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160227 877465066 /nfs/dbraw/zinc/46/50/66/877465066.db2.gz BNRAOMHLGJRWKL-AOMKIAJQSA-N 1 1 392.459 3.844 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CO)[C@@H]2CC)cc1OC ZINC000451250269 877661378 /nfs/dbraw/zinc/66/13/78/877661378.db2.gz DDWRMGWYBONIJO-ZOBUZTSGSA-N 1 1 380.485 3.621 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000477615855 877950455 /nfs/dbraw/zinc/95/04/55/877950455.db2.gz HKVUUOBCFWXAEM-UHFFFAOYSA-N 1 1 375.856 3.938 20 5 GHBDMO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545511 878117749 /nfs/dbraw/zinc/11/77/49/878117749.db2.gz HOPITBZUOFCBJB-QGZVFWFLSA-N 1 1 383.448 3.812 20 5 GHBDMO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545511 878117758 /nfs/dbraw/zinc/11/77/58/878117758.db2.gz HOPITBZUOFCBJB-QGZVFWFLSA-N 1 1 383.448 3.812 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)cc1OC ZINC000451576099 878186192 /nfs/dbraw/zinc/18/61/92/878186192.db2.gz UBPVJOIRRXVSNH-MPGHIAIKSA-N 1 1 380.485 3.885 20 5 GHBDMO C[C@H]([NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788633840 878225400 /nfs/dbraw/zinc/22/54/00/878225400.db2.gz VGMCZMUCRXGWIK-ZACQAIPSSA-N 1 1 382.508 3.984 20 5 GHBDMO C[C@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788633840 878225416 /nfs/dbraw/zinc/22/54/16/878225416.db2.gz VGMCZMUCRXGWIK-ZACQAIPSSA-N 1 1 382.508 3.984 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000795682466 912331040 /nfs/dbraw/zinc/33/10/40/912331040.db2.gz XLAMTLOPEZDWFC-ZACQAIPSSA-N 1 1 379.416 3.728 20 5 GHBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591617 878298600 /nfs/dbraw/zinc/29/86/00/878298600.db2.gz LGKMAIMZPIRQCL-PMACEKPBSA-N 1 1 380.448 3.835 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000493114759 878434581 /nfs/dbraw/zinc/43/45/81/878434581.db2.gz UGGWNUWSDBIFAH-RTWAWAEBSA-N 1 1 394.475 3.564 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000180206423 878650095 /nfs/dbraw/zinc/65/00/95/878650095.db2.gz YGAFIKTUHPFECB-UHFFFAOYSA-N 1 1 385.464 3.505 20 5 GHBDMO COc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597210517 878737390 /nfs/dbraw/zinc/73/73/90/878737390.db2.gz IBGGPMOJHHTGRQ-GCJKJVERSA-N 1 1 398.459 3.651 20 5 GHBDMO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853511241 879072187 /nfs/dbraw/zinc/07/21/87/879072187.db2.gz NTRIVZIKCFJFAO-FQEVSTJZSA-N 1 1 381.411 3.614 20 5 GHBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853511241 879072203 /nfs/dbraw/zinc/07/22/03/879072203.db2.gz NTRIVZIKCFJFAO-FQEVSTJZSA-N 1 1 381.411 3.614 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000538236340 879099186 /nfs/dbraw/zinc/09/91/86/879099186.db2.gz KHZASVKAUPQVKA-CABCVRRESA-N 1 1 379.526 3.946 20 5 GHBDMO Cc1noc([C@H]2CCCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000285748877 912419553 /nfs/dbraw/zinc/41/95/53/912419553.db2.gz RMCSUNPMQDMNMC-MRXNPFEDSA-N 1 1 383.408 3.711 20 5 GHBDMO Cc1noc([C@H]2CCCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000285748877 912419562 /nfs/dbraw/zinc/41/95/62/912419562.db2.gz RMCSUNPMQDMNMC-MRXNPFEDSA-N 1 1 383.408 3.711 20 5 GHBDMO COc1ccccc1C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761512423 879204803 /nfs/dbraw/zinc/20/48/03/879204803.db2.gz TWIMDJRBMSNLAJ-UHFFFAOYSA-N 1 1 375.856 3.575 20 5 GHBDMO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1)c1ccc(F)cc1 ZINC000761505959 879209612 /nfs/dbraw/zinc/20/96/12/879209612.db2.gz JKTCPQJJCGJOMX-UHFFFAOYSA-N 1 1 391.830 3.782 20 5 GHBDMO C[NH+]1CCN(C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2ccccc2)CC1 ZINC000068910738 879240747 /nfs/dbraw/zinc/24/07/47/879240747.db2.gz IMFQVBRJEAODEK-NRFANRHFSA-N 1 1 391.475 3.544 20 5 GHBDMO Cc1cc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000538551111 879700479 /nfs/dbraw/zinc/70/04/79/879700479.db2.gz CYKAGERNXLYZSR-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1cc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000538551111 879700485 /nfs/dbraw/zinc/70/04/85/879700485.db2.gz CYKAGERNXLYZSR-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO COc1ccccc1COC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000093913069 912518464 /nfs/dbraw/zinc/51/84/64/912518464.db2.gz AMORQQRUDMLDRG-UHFFFAOYSA-N 1 1 396.447 3.592 20 5 GHBDMO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452833939 880117791 /nfs/dbraw/zinc/11/77/91/880117791.db2.gz BKEBQRHZOYBPCE-MOPGFXCFSA-N 1 1 385.508 3.955 20 5 GHBDMO CON1CCC([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000453602350 881125945 /nfs/dbraw/zinc/12/59/45/881125945.db2.gz JLBDZLLLJLJLJX-UHFFFAOYSA-N 1 1 389.427 3.984 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000856358439 881168837 /nfs/dbraw/zinc/16/88/37/881168837.db2.gz RCHKPRXPJMMYFQ-AWEZNQCLSA-N 1 1 394.258 3.906 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000856358439 881168843 /nfs/dbraw/zinc/16/88/43/881168843.db2.gz RCHKPRXPJMMYFQ-AWEZNQCLSA-N 1 1 394.258 3.906 20 5 GHBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000532136904 881215672 /nfs/dbraw/zinc/21/56/72/881215672.db2.gz MVWLCDRPRMNDDA-LJQANCHMSA-N 1 1 382.464 3.507 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000155147709 881297256 /nfs/dbraw/zinc/29/72/56/881297256.db2.gz TZTHKPBVUYFHFO-RISCZKNCSA-N 1 1 399.289 3.551 20 5 GHBDMO C[C@H](NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000476860920 883318186 /nfs/dbraw/zinc/31/81/86/883318186.db2.gz XMQZMJIQLUEYFB-HRAATJIYSA-N 1 1 396.491 3.866 20 5 GHBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000476922957 883404783 /nfs/dbraw/zinc/40/47/83/883404783.db2.gz KLVNLHWUXGIWQX-UHFFFAOYSA-N 1 1 382.464 3.551 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N(C)C[C@H]3CCC[N@@H+](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000609670986 883515810 /nfs/dbraw/zinc/51/58/10/883515810.db2.gz ZMLOKVJHBGZKKA-KRWDZBQOSA-N 1 1 396.491 3.934 20 5 GHBDMO CCC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccc(OC)cc1 ZINC000609766347 883655623 /nfs/dbraw/zinc/65/56/23/883655623.db2.gz RDNTUGOYVACZPI-UHFFFAOYSA-N 1 1 399.447 3.814 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000024110925 883689355 /nfs/dbraw/zinc/68/93/55/883689355.db2.gz MKXRBNUZOHBLCS-INIZCTEOSA-N 1 1 387.505 3.714 20 5 GHBDMO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1OC ZINC000805833022 884105689 /nfs/dbraw/zinc/10/56/89/884105689.db2.gz QCBLKIGFXDFYAL-LBPRGKRZSA-N 1 1 375.381 3.679 20 5 GHBDMO C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+]1CCC[C@H](C)C1 ZINC000498362248 884158971 /nfs/dbraw/zinc/15/89/71/884158971.db2.gz FHKDWDGVEIVVIB-KBPBESRZSA-N 1 1 388.493 3.569 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929976 884179780 /nfs/dbraw/zinc/17/97/80/884179780.db2.gz NWJYFGPRGGMHMW-TWKWOARYSA-N 1 1 395.459 3.666 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000859930450 884179910 /nfs/dbraw/zinc/17/99/10/884179910.db2.gz YJXMNADSVKTAAK-YTQUADARSA-N 1 1 395.459 3.668 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@@H]4C[C@@H](c5ccccc5)[C@@H]4C3)o2)cc1 ZINC000859931434 884181602 /nfs/dbraw/zinc/18/16/02/884181602.db2.gz QMJIEIFFDPIZRH-YTQUADARSA-N 1 1 376.416 3.880 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)c1 ZINC001130458424 884263466 /nfs/dbraw/zinc/26/34/66/884263466.db2.gz MXUCIXVQRBZXNC-YESZJQIVSA-N 1 1 397.475 3.727 20 5 GHBDMO Cc1c(CC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC001130458494 884264337 /nfs/dbraw/zinc/26/43/37/884264337.db2.gz OIQIVJOPLJLXRE-UHOSZYNNSA-N 1 1 395.503 3.956 20 5 GHBDMO CC(C)c1ccc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC001170507109 884638681 /nfs/dbraw/zinc/63/86/81/884638681.db2.gz LZASSHNOMXIMRO-UHFFFAOYSA-N 1 1 398.463 3.944 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)c1ccccc1 ZINC000532501455 885827872 /nfs/dbraw/zinc/82/78/72/885827872.db2.gz WEOWZXTXNWIHKF-QGZVFWFLSA-N 1 1 385.464 3.941 20 5 GHBDMO C[N@@H+]1CC[C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1c1ccccc1 ZINC000550684948 885894020 /nfs/dbraw/zinc/89/40/20/885894020.db2.gz TZXVMWZKWPDQGX-WOJBJXKFSA-N 1 1 378.432 3.785 20 5 GHBDMO C[N@H+]1CC[C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1c1ccccc1 ZINC000550684948 885894030 /nfs/dbraw/zinc/89/40/30/885894030.db2.gz TZXVMWZKWPDQGX-WOJBJXKFSA-N 1 1 378.432 3.785 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)CCCC[NH+](C)C ZINC001184059401 912988119 /nfs/dbraw/zinc/98/81/19/912988119.db2.gz BRWRDUKYCHADCN-UHFFFAOYSA-N 1 1 380.492 3.627 20 5 GHBDMO COc1ccc(CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC(C)(C)C)cc1 ZINC000532572761 886144261 /nfs/dbraw/zinc/14/42/61/886144261.db2.gz WGRRAWDJFYVAJM-UHFFFAOYSA-N 1 1 399.491 3.793 20 5 GHBDMO COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1OC ZINC000286983743 913013750 /nfs/dbraw/zinc/01/37/50/913013750.db2.gz OWTMMPAVBNQEFT-ZDUSSCGKSA-N 1 1 388.420 3.638 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc4ccccc4nc3Cl)C2)nc1 ZINC000118865917 886284997 /nfs/dbraw/zinc/28/49/97/886284997.db2.gz UBWFIDAXLKJFJR-HNNXBMFYSA-N 1 1 383.839 3.878 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc4ccccc4nc3Cl)C2)nc1 ZINC000118865917 886285020 /nfs/dbraw/zinc/28/50/20/886285020.db2.gz UBWFIDAXLKJFJR-HNNXBMFYSA-N 1 1 383.839 3.878 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000915308722 886300850 /nfs/dbraw/zinc/30/08/50/886300850.db2.gz OUZYAQOTCLUGNE-CYBMUJFWSA-N 1 1 388.855 3.817 20 5 GHBDMO CCCCO[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000556872847 886432214 /nfs/dbraw/zinc/43/22/14/886432214.db2.gz RNXWDYXQKTXTOZ-OTWHNJEPSA-N 1 1 386.496 3.991 20 5 GHBDMO O=C1OC[C@H]2C[N@@H+](Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000862545174 886457161 /nfs/dbraw/zinc/45/71/61/886457161.db2.gz JAIWUAVVRKGIMJ-ZIAGYGMSSA-N 1 1 388.807 3.645 20 5 GHBDMO O=C1OC[C@H]2C[N@H+](Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000862545174 886457170 /nfs/dbraw/zinc/45/71/70/886457170.db2.gz JAIWUAVVRKGIMJ-ZIAGYGMSSA-N 1 1 388.807 3.645 20 5 GHBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000808799552 886797412 /nfs/dbraw/zinc/79/74/12/886797412.db2.gz XUNJIJNXDVZSCI-OAHLLOKOSA-N 1 1 398.246 3.817 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272498905 887589090 /nfs/dbraw/zinc/58/90/90/887589090.db2.gz GKPQDWQGVWFFRI-UTKZUKDTSA-N 1 1 391.475 3.534 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272504916 887603337 /nfs/dbraw/zinc/60/33/37/887603337.db2.gz HYNGRZIZTBBQRQ-PXNSSMCTSA-N 1 1 385.512 3.662 20 5 GHBDMO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272520496 887617636 /nfs/dbraw/zinc/61/76/36/887617636.db2.gz LCZWOOSUNBLZLO-YSIASYRMSA-N 1 1 386.496 3.991 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272540305 887678821 /nfs/dbraw/zinc/67/88/21/887678821.db2.gz OXKFINYPWIIKKQ-WOJBJXKFSA-N 1 1 392.459 3.521 20 5 GHBDMO Cc1ccc([C@@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)c(C)c1 ZINC000794662673 887709244 /nfs/dbraw/zinc/70/92/44/887709244.db2.gz LWYVMRBOHFHZTL-GOSISDBHSA-N 1 1 377.448 3.917 20 5 GHBDMO COC[C@@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000272570067 887774984 /nfs/dbraw/zinc/77/49/84/887774984.db2.gz JPEMMPRJQMFHSB-OAHLLOKOSA-N 1 1 396.390 3.725 20 5 GHBDMO CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000809917854 887942482 /nfs/dbraw/zinc/94/24/82/887942482.db2.gz CGGVRYRSESOJAD-OAHLLOKOSA-N 1 1 388.855 3.986 20 5 GHBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000809966303 888008907 /nfs/dbraw/zinc/00/89/07/888008907.db2.gz WXQRCHJJULEVPC-UHFFFAOYSA-N 1 1 390.311 3.692 20 5 GHBDMO CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC(C)(C)C[NH+]1CCOCC1 ZINC000809966303 888008921 /nfs/dbraw/zinc/00/89/21/888008921.db2.gz WXQRCHJJULEVPC-UHFFFAOYSA-N 1 1 390.311 3.692 20 5 GHBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000809968521 888010449 /nfs/dbraw/zinc/01/04/49/888010449.db2.gz DGCHXFSVHNZHOQ-GDBMZVCRSA-N 1 1 399.278 3.723 20 5 GHBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000809968521 888010460 /nfs/dbraw/zinc/01/04/60/888010460.db2.gz DGCHXFSVHNZHOQ-GDBMZVCRSA-N 1 1 399.278 3.723 20 5 GHBDMO CC(C)(O)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000809952505 888018813 /nfs/dbraw/zinc/01/88/13/888018813.db2.gz ZJXXDJPAVJUEFS-UHFFFAOYSA-N 1 1 377.268 3.654 20 5 GHBDMO NC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809955966 888024392 /nfs/dbraw/zinc/02/43/92/888024392.db2.gz YQEKKMMINNMSTN-UHFFFAOYSA-N 1 1 382.247 3.779 20 5 GHBDMO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809955966 888024401 /nfs/dbraw/zinc/02/44/01/888024401.db2.gz YQEKKMMINNMSTN-UHFFFAOYSA-N 1 1 382.247 3.779 20 5 GHBDMO O=[N+]([O-])c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000809994882 888049759 /nfs/dbraw/zinc/04/97/59/888049759.db2.gz HRKWUGCTXCLFLZ-QGZVFWFLSA-N 1 1 376.840 3.918 20 5 GHBDMO O=C(CC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2)Nc1cc([N+](=O)[O-])ccc1F ZINC000810047390 888094759 /nfs/dbraw/zinc/09/47/59/888094759.db2.gz SQQAGRZNTNYMRQ-NRFANRHFSA-N 1 1 399.422 3.532 20 5 GHBDMO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OC)c1OC ZINC000865758268 888556407 /nfs/dbraw/zinc/55/64/07/888556407.db2.gz BMYRWJBNTYBRFD-QGZVFWFLSA-N 1 1 388.420 3.719 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1cccc(Br)c1 ZINC000796113960 913293458 /nfs/dbraw/zinc/29/34/58/913293458.db2.gz FCOIAXAEFAEVBS-QGZVFWFLSA-N 1 1 379.254 3.565 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000153960833 888962109 /nfs/dbraw/zinc/96/21/09/888962109.db2.gz GIGFACUTPAVGSV-OALUTQOASA-N 1 1 394.431 3.905 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000153960833 888962117 /nfs/dbraw/zinc/96/21/17/888962117.db2.gz GIGFACUTPAVGSV-OALUTQOASA-N 1 1 394.431 3.905 20 5 GHBDMO C/C(=C\C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000810864835 888966098 /nfs/dbraw/zinc/96/60/98/888966098.db2.gz HQUUPUKBENRTQV-RVDMUPIBSA-N 1 1 380.448 3.618 20 5 GHBDMO O=C(CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000488137856 889194326 /nfs/dbraw/zinc/19/43/26/889194326.db2.gz KOCPCKMLHSPFQN-UHFFFAOYSA-N 1 1 382.416 3.603 20 5 GHBDMO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000532933985 889375542 /nfs/dbraw/zinc/37/55/42/889375542.db2.gz AITBSSAWIFPAQK-AWEZNQCLSA-N 1 1 391.855 3.896 20 5 GHBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000532933985 889375556 /nfs/dbraw/zinc/37/55/56/889375556.db2.gz AITBSSAWIFPAQK-AWEZNQCLSA-N 1 1 391.855 3.896 20 5 GHBDMO Cc1ccc(C[C@@H]2CCC[N@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000532960240 889434103 /nfs/dbraw/zinc/43/41/03/889434103.db2.gz ZRWVKHMWHTUBMA-SFHVURJKSA-N 1 1 395.459 3.908 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c1 ZINC000811465806 889627781 /nfs/dbraw/zinc/62/77/81/889627781.db2.gz ILVBXIOCEWEAAU-IBGZPJMESA-N 1 1 383.448 3.785 20 5 GHBDMO CC[N@H+]1CCCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000533264080 890162160 /nfs/dbraw/zinc/16/21/60/890162160.db2.gz XUUDJAXERUKHKZ-OAQYLSRUSA-N 1 1 396.491 3.611 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000533288493 890198260 /nfs/dbraw/zinc/19/82/60/890198260.db2.gz MARDEKGXXLTULV-CYBMUJFWSA-N 1 1 387.411 3.690 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001133115709 890239701 /nfs/dbraw/zinc/23/97/01/890239701.db2.gz CUPRGZHGUQIVPV-XFXZXTDPSA-N 1 1 379.460 3.515 20 5 GHBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cc1SC ZINC000154202055 890270972 /nfs/dbraw/zinc/27/09/72/890270972.db2.gz IBMHTOXYEMQZNC-AWEZNQCLSA-N 1 1 395.525 3.566 20 5 GHBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)C1 ZINC000455105527 890310983 /nfs/dbraw/zinc/31/09/83/890310983.db2.gz UCSBIGGGXULWOZ-INIZCTEOSA-N 1 1 386.374 3.563 20 5 GHBDMO CCc1cc(NC[C@H](C)[N@H+]2CCCC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001184855676 913492288 /nfs/dbraw/zinc/49/22/88/913492288.db2.gz FJZXGFFIYBROTA-HOTGVXAUSA-N 1 1 383.496 3.711 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc2)c1C ZINC000812738977 890920355 /nfs/dbraw/zinc/92/03/55/890920355.db2.gz GKYCVRNOXUUYIR-UHFFFAOYSA-N 1 1 384.367 3.554 20 5 GHBDMO C[N@@H+](CCc1cccc(Br)c1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000812803974 890999161 /nfs/dbraw/zinc/99/91/61/890999161.db2.gz DGJMLEXOQRFTOF-UHFFFAOYSA-N 1 1 394.225 3.940 20 5 GHBDMO COC(=O)/C=C\c1ccc(NCCCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000917073287 891011982 /nfs/dbraw/zinc/01/19/82/891011982.db2.gz MSFDMKRGCJVMOR-SIJIIQCFSA-N 1 1 375.469 3.705 20 5 GHBDMO COC(=O)/C=C/c1ccc(NCCCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000917073288 891012233 /nfs/dbraw/zinc/01/22/33/891012233.db2.gz MSFDMKRGCJVMOR-XAVKZTDYSA-N 1 1 375.469 3.705 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850143 891040536 /nfs/dbraw/zinc/04/05/36/891040536.db2.gz LWGOCSBSUMKNHO-KUHUBIRLSA-N 1 1 382.420 3.589 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000813171612 891332910 /nfs/dbraw/zinc/33/29/10/891332910.db2.gz NCZFVARQXLWSPB-UFYCRDLUSA-N 1 1 384.407 3.655 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000813171612 891332926 /nfs/dbraw/zinc/33/29/26/891332926.db2.gz NCZFVARQXLWSPB-UFYCRDLUSA-N 1 1 384.407 3.655 20 5 GHBDMO C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542608839 892598026 /nfs/dbraw/zinc/59/80/26/892598026.db2.gz LMGUKORDCPMVLO-QLFBSQMISA-N 1 1 379.476 3.710 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000194524393 892820261 /nfs/dbraw/zinc/82/02/61/892820261.db2.gz ITWCZHUCYMQIJO-UHFFFAOYSA-N 1 1 396.491 3.993 20 5 GHBDMO CC(C)Oc1cccc(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000533765029 892864584 /nfs/dbraw/zinc/86/45/84/892864584.db2.gz BRLDJWVONJKKLQ-HXUWFJFHSA-N 1 1 383.448 3.619 20 5 GHBDMO CC(C)Oc1cccc(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000533765029 892864600 /nfs/dbraw/zinc/86/46/00/892864600.db2.gz BRLDJWVONJKKLQ-HXUWFJFHSA-N 1 1 383.448 3.619 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000428665615 893145704 /nfs/dbraw/zinc/14/57/04/893145704.db2.gz FBLPUUKLPVIGCG-IBGZPJMESA-N 1 1 387.505 3.771 20 5 GHBDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000815106100 893480906 /nfs/dbraw/zinc/48/09/06/893480906.db2.gz UQKJRLZFFXVKRN-QGZVFWFLSA-N 1 1 389.431 3.506 20 5 GHBDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000815106100 893480914 /nfs/dbraw/zinc/48/09/14/893480914.db2.gz UQKJRLZFFXVKRN-QGZVFWFLSA-N 1 1 389.431 3.506 20 5 GHBDMO CC(C)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cnn(C)c1 ZINC000459593997 893870901 /nfs/dbraw/zinc/87/09/01/893870901.db2.gz JUOKBILBOVBSED-UHFFFAOYSA-N 1 1 383.452 3.684 20 5 GHBDMO O=C(N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001135191620 894174132 /nfs/dbraw/zinc/17/41/32/894174132.db2.gz FVEVRLNIYOOUMB-SFHVURJKSA-N 1 1 393.365 3.532 20 5 GHBDMO O=C(N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001135191620 894174140 /nfs/dbraw/zinc/17/41/40/894174140.db2.gz FVEVRLNIYOOUMB-SFHVURJKSA-N 1 1 393.365 3.532 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@H](C3CCOCC3)C2)o1 ZINC000878301150 894179090 /nfs/dbraw/zinc/17/90/90/894179090.db2.gz KYQKXVNURJLJQT-ZDUSSCGKSA-N 1 1 392.843 3.547 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000537023792 894228795 /nfs/dbraw/zinc/22/87/95/894228795.db2.gz MYHFGBVKLMAHJB-CQSZACIVSA-N 1 1 387.436 3.680 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000537023791 894229097 /nfs/dbraw/zinc/22/90/97/894229097.db2.gz MYHFGBVKLMAHJB-AWEZNQCLSA-N 1 1 387.436 3.680 20 5 GHBDMO CC(C)(C)[N@@H+]1CC[C@@](F)(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000563839549 894247114 /nfs/dbraw/zinc/24/71/14/894247114.db2.gz CWOGGZKYTBMIKQ-IBGZPJMESA-N 1 1 387.415 3.719 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@](F)(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000563839549 894247127 /nfs/dbraw/zinc/24/71/27/894247127.db2.gz CWOGGZKYTBMIKQ-IBGZPJMESA-N 1 1 387.415 3.719 20 5 GHBDMO CO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C12CCC2 ZINC000878684548 894509036 /nfs/dbraw/zinc/50/90/36/894509036.db2.gz JANROQOXQVBQQH-HUUCEWRRSA-N 1 1 392.843 3.688 20 5 GHBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C12CCC2 ZINC000878684548 894509049 /nfs/dbraw/zinc/50/90/49/894509049.db2.gz JANROQOXQVBQQH-HUUCEWRRSA-N 1 1 392.843 3.688 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@H](c3cccnc3)C2)o1 ZINC000878759596 894585250 /nfs/dbraw/zinc/58/52/50/894585250.db2.gz DJAFQWWGCXKUQG-ZDUSSCGKSA-N 1 1 385.811 3.683 20 5 GHBDMO COc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000564402871 894939315 /nfs/dbraw/zinc/93/93/15/894939315.db2.gz ARZWGORQSKLDMK-VQTJNVASSA-N 1 1 381.476 3.557 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000816833241 895094742 /nfs/dbraw/zinc/09/47/42/895094742.db2.gz BIDCOHLTXQBEFV-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000816833241 895094755 /nfs/dbraw/zinc/09/47/55/895094755.db2.gz BIDCOHLTXQBEFV-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000816845296 895148411 /nfs/dbraw/zinc/14/84/11/895148411.db2.gz IQOJYDPJJKJLGH-MRXNPFEDSA-N 1 1 387.867 3.729 20 5 GHBDMO COC(=O)Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001185554463 913949256 /nfs/dbraw/zinc/94/92/56/913949256.db2.gz BXLBVVQLDMKFKW-VQIMIIECSA-N 1 1 397.475 3.633 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@]4(CCSC4)C3)o2)c([N+](=O)[O-])c1 ZINC000564990071 895341073 /nfs/dbraw/zinc/34/10/73/895341073.db2.gz BDOJYPPAUWYELD-IBGZPJMESA-N 1 1 390.461 3.571 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCO[C@@]4(CCSC4)C3)o2)c([N+](=O)[O-])c1 ZINC000564990071 895341084 /nfs/dbraw/zinc/34/10/84/895341084.db2.gz BDOJYPPAUWYELD-IBGZPJMESA-N 1 1 390.461 3.571 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000565394220 895590098 /nfs/dbraw/zinc/59/00/98/895590098.db2.gz DIMWPFSHGNCCSD-LJQANCHMSA-N 1 1 396.491 3.784 20 5 GHBDMO C[C@H](NC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000819065254 896382285 /nfs/dbraw/zinc/38/22/85/896382285.db2.gz FKEPREAPYJUDGW-UWJYYQICSA-N 1 1 383.492 3.881 20 5 GHBDMO C[C@@H]1C[N@H+](CCCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)O1 ZINC001185802005 914094607 /nfs/dbraw/zinc/09/46/07/914094607.db2.gz RSKKHNNVCKWDLR-CALCHBBNSA-N 1 1 384.480 3.958 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000567033329 896816501 /nfs/dbraw/zinc/81/65/01/896816501.db2.gz VSWBDXJSGMQDAO-MSOLQXFVSA-N 1 1 380.448 3.581 20 5 GHBDMO Cc1nn(C[NH+]2CCC3(CC2)OCCc2ccsc23)c2cc([N+](=O)[O-])ccc12 ZINC000778577908 897025301 /nfs/dbraw/zinc/02/53/01/897025301.db2.gz NDNIVTGDWWKAAR-UHFFFAOYSA-N 1 1 398.488 3.836 20 5 GHBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000567848631 897447200 /nfs/dbraw/zinc/44/72/00/897447200.db2.gz VPVXCZLCDCWUHR-LJQANCHMSA-N 1 1 389.452 3.520 20 5 GHBDMO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000568329137 897746138 /nfs/dbraw/zinc/74/61/38/897746138.db2.gz DMVJIYNNOUWMFF-QRWLVFNGSA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000568329137 897746149 /nfs/dbraw/zinc/74/61/49/897746149.db2.gz DMVJIYNNOUWMFF-QRWLVFNGSA-N 1 1 390.867 3.790 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001136465893 897976891 /nfs/dbraw/zinc/97/68/91/897976891.db2.gz YJJRUJQUEHAHQV-UYAOXDASSA-N 1 1 375.513 3.934 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000466826053 914232153 /nfs/dbraw/zinc/23/21/53/914232153.db2.gz ZRAKCJJAIKSAGM-VQIMIIECSA-N 1 1 396.491 3.932 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000289551774 914235274 /nfs/dbraw/zinc/23/52/74/914235274.db2.gz FHDQKPHFCYCPTA-UONOGXRCSA-N 1 1 398.891 3.507 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@](C)(O)c1ccccc1 ZINC000822516313 898447055 /nfs/dbraw/zinc/44/70/55/898447055.db2.gz KNWZAVKNWGFNRP-KRWDZBQOSA-N 1 1 379.254 3.697 20 5 GHBDMO Cc1[nH+]ccn1CCCCOC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000778791922 899854589 /nfs/dbraw/zinc/85/45/89/899854589.db2.gz ZDUJPVSGWVUDJM-UHFFFAOYSA-N 1 1 386.433 3.860 20 5 GHBDMO CC1=CC[N@@H+](CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000572307504 900131769 /nfs/dbraw/zinc/13/17/69/900131769.db2.gz PUMYJAKXBAKNKI-UHFFFAOYSA-N 1 1 380.317 3.708 20 5 GHBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000573632754 900580398 /nfs/dbraw/zinc/58/03/98/900580398.db2.gz KZGOMQMWCNZGHA-OAQYLSRUSA-N 1 1 399.878 3.986 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@](O)(c4ccc(Cl)cc4)C3)nc2c1 ZINC000844372759 900740189 /nfs/dbraw/zinc/74/01/89/900740189.db2.gz DVEYNEJBUZGFPD-IBGZPJMESA-N 1 1 387.823 3.873 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@](O)(c4ccc(Cl)cc4)C3)nc2c1 ZINC000844372759 900740203 /nfs/dbraw/zinc/74/02/03/900740203.db2.gz DVEYNEJBUZGFPD-IBGZPJMESA-N 1 1 387.823 3.873 20 5 GHBDMO CCn1cc(C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C(C)C)cn1 ZINC000844422080 900825009 /nfs/dbraw/zinc/82/50/09/900825009.db2.gz DLQUKTNKZSKMKE-UHFFFAOYSA-N 1 1 381.274 3.984 20 5 GHBDMO CCn1cc(C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C(C)C)cn1 ZINC000844422080 900825012 /nfs/dbraw/zinc/82/50/12/900825012.db2.gz DLQUKTNKZSKMKE-UHFFFAOYSA-N 1 1 381.274 3.984 20 5 GHBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000575367557 901215492 /nfs/dbraw/zinc/21/54/92/901215492.db2.gz BGHXQQSQJHKHRN-CRAIPNDOSA-N 1 1 387.505 3.618 20 5 GHBDMO C[N@@H+]1CCc2c(N[C@H](CO)c3ccc(C(F)(F)F)cc3)ccc([N+](=O)[O-])c2C1 ZINC001171150541 901290356 /nfs/dbraw/zinc/29/03/56/901290356.db2.gz FDSILQCCLNJDMB-QGZVFWFLSA-N 1 1 395.381 3.747 20 5 GHBDMO C[N@H+]1CCc2c(N[C@H](CO)c3ccc(C(F)(F)F)cc3)ccc([N+](=O)[O-])c2C1 ZINC001171150541 901290368 /nfs/dbraw/zinc/29/03/68/901290368.db2.gz FDSILQCCLNJDMB-QGZVFWFLSA-N 1 1 395.381 3.747 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000578396403 903802101 /nfs/dbraw/zinc/80/21/01/903802101.db2.gz MRDBNSQEHDRORM-QGZVFWFLSA-N 1 1 385.395 3.869 20 5 GHBDMO C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+]1CCCC[C@H]1C ZINC000578951296 904248100 /nfs/dbraw/zinc/24/81/00/904248100.db2.gz NQLFXINWEATTAB-CVEARBPZSA-N 1 1 377.488 3.674 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c2c(c1)COCO2 ZINC000173988158 905177842 /nfs/dbraw/zinc/17/78/42/905177842.db2.gz KVYUXHQGADRREP-QGZVFWFLSA-N 1 1 384.432 3.500 20 5 GHBDMO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801550767 921124848 /nfs/dbraw/zinc/12/48/48/921124848.db2.gz HYDKGCWQNVJHFJ-OAHLLOKOSA-N 1 1 380.423 3.993 20 5 GHBDMO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801550767 921124854 /nfs/dbraw/zinc/12/48/54/921124854.db2.gz HYDKGCWQNVJHFJ-OAHLLOKOSA-N 1 1 380.423 3.993 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000801577636 921151852 /nfs/dbraw/zinc/15/18/52/921151852.db2.gz PGWWZYZPXPWKIW-HXUWFJFHSA-N 1 1 393.484 3.730 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H]3CN(Cc4cccs4)C[C@H]3C1)CC2 ZINC001172906663 905933356 /nfs/dbraw/zinc/93/33/56/905933356.db2.gz XUOGTISWWGYANW-ZCNNSNEGSA-N 1 1 397.544 3.968 20 5 GHBDMO COC(=O)c1cccc2c1CC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172913881 905983943 /nfs/dbraw/zinc/98/39/43/905983943.db2.gz VGJZDNSTUNMJBV-SFHVURJKSA-N 1 1 380.444 3.687 20 5 GHBDMO COc1cccnc1O[C@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913070 906023317 /nfs/dbraw/zinc/02/33/17/906023317.db2.gz OPODXBXHDZSRAI-ICSRJNTNSA-N 1 1 397.475 3.789 20 5 GHBDMO C[N@@H+](Cc1cccc(O)c1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010676 906086180 /nfs/dbraw/zinc/08/61/80/906086180.db2.gz XIBVHUPXBYHVHS-UHFFFAOYSA-N 1 1 377.391 3.679 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@@H](c4cccnc4)C3)CC2)c(F)c1 ZINC001173018642 906095439 /nfs/dbraw/zinc/09/54/39/906095439.db2.gz YCGJBZNFNQOBFJ-OAHLLOKOSA-N 1 1 388.418 3.726 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@H](Oc3cccnc3)C2)c1F ZINC001173189222 906269488 /nfs/dbraw/zinc/26/94/88/906269488.db2.gz JPNBFBVFZGZBNK-HOCLYGCPSA-N 1 1 389.427 3.612 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H](Oc3cccc(C)n3)C2)c1F ZINC001173191485 906272915 /nfs/dbraw/zinc/27/29/15/906272915.db2.gz CNLPCENZEADORT-CABCVRRESA-N 1 1 389.427 3.530 20 5 GHBDMO COc1ccc(CC[N@@H+](C)[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc1 ZINC001173194802 906279292 /nfs/dbraw/zinc/27/92/92/906279292.db2.gz AHBQMLINWJACKA-CQSZACIVSA-N 1 1 376.428 3.857 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCOC[C@@H]2C2CCCCC2)c1F ZINC001173194009 906279765 /nfs/dbraw/zinc/27/97/65/906279765.db2.gz WJDVCGFMMCMZKN-RDTXWAMCSA-N 1 1 380.460 3.955 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCOC[C@@H]2C2CCCCC2)c1F ZINC001173194009 906279774 /nfs/dbraw/zinc/27/97/74/906279774.db2.gz WJDVCGFMMCMZKN-RDTXWAMCSA-N 1 1 380.460 3.955 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(CC3CC3)c21 ZINC001173223268 906303708 /nfs/dbraw/zinc/30/37/08/906303708.db2.gz ZIGCORGPMJOKLQ-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(CC3CC3)c21 ZINC001173223268 906303717 /nfs/dbraw/zinc/30/37/17/906303717.db2.gz ZIGCORGPMJOKLQ-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2c1cnn2CC1CC1 ZINC001173223790 906305254 /nfs/dbraw/zinc/30/52/54/906305254.db2.gz HRQDDCNWHHKQNM-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2c1cnn2CC1CC1 ZINC001173223790 906305268 /nfs/dbraw/zinc/30/52/68/906305268.db2.gz HRQDDCNWHHKQNM-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO Cc1ccc(CN2C[C@@H]3C[NH+]([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@H]3C2)cc1 ZINC001173223668 906305801 /nfs/dbraw/zinc/30/58/01/906305801.db2.gz GMCAQLPFJNDCBE-STZQEDGTSA-N 1 1 379.504 3.898 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001173229820 906314924 /nfs/dbraw/zinc/31/49/24/906314924.db2.gz AMDBUSKUGWVFKB-OAHLLOKOSA-N 1 1 387.867 3.637 20 5 GHBDMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc([N+](=O)[O-])ccc3OC)ccc2NC1=O ZINC000180002401 906655843 /nfs/dbraw/zinc/65/58/43/906655843.db2.gz FYEVLXCQURFABX-YVEFUNNKSA-N 1 1 385.420 3.564 20 5 GHBDMO Cc1ccc(C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)cc1 ZINC001174789266 907202260 /nfs/dbraw/zinc/20/22/60/907202260.db2.gz LRRWWZOUJQHFCS-UHFFFAOYSA-N 1 1 390.505 3.978 20 5 GHBDMO Cc1ccc(C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)cc1 ZINC001174789266 907202274 /nfs/dbraw/zinc/20/22/74/907202274.db2.gz LRRWWZOUJQHFCS-UHFFFAOYSA-N 1 1 390.505 3.978 20 5 GHBDMO COc1cc(C[N@@H+](C)CCc2ccncc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000183759238 907455289 /nfs/dbraw/zinc/45/52/89/907455289.db2.gz RWSIUESFYCCDHS-UHFFFAOYSA-N 1 1 399.369 3.614 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192244361 907564555 /nfs/dbraw/zinc/56/45/55/907564555.db2.gz WCGDKNGPVZUYML-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO 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O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001177122827 908398645 /nfs/dbraw/zinc/39/86/45/908398645.db2.gz ZCOGPDUZNMXPRO-INIZCTEOSA-N 1 1 377.391 3.560 20 5 GHBDMO CCOC(=O)c1csc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000191574092 908644589 /nfs/dbraw/zinc/64/45/89/908644589.db2.gz KDURCZHUSSSLLF-UHFFFAOYSA-N 1 1 375.450 3.608 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194780517 908924043 /nfs/dbraw/zinc/92/40/43/908924043.db2.gz VZBMJQPHUJUHIR-LJQANCHMSA-N 1 1 381.476 3.887 20 5 GHBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195718813 909036082 /nfs/dbraw/zinc/03/60/82/909036082.db2.gz JARHQXCAYFGGFV-ZWKOTPCHSA-N 1 1 397.258 3.871 20 5 GHBDMO C[N@@H+](Cc1ccccc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC001179845725 909765536 /nfs/dbraw/zinc/76/55/36/909765536.db2.gz XTFDRCUKENSIJY-UHFFFAOYSA-N 1 1 382.201 3.831 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 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CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1COc2ccccc2O1 ZINC000557096736 931209340 /nfs/dbraw/zinc/20/93/40/931209340.db2.gz CCQZUTPGLJFGAJ-HNNXBMFYSA-N 1 1 382.420 3.523 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782499159 931243043 /nfs/dbraw/zinc/24/30/43/931243043.db2.gz LWBWYMZJOJUWKC-AWEZNQCLSA-N 1 1 387.411 3.561 20 5 GHBDMO C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000557458973 931443532 /nfs/dbraw/zinc/44/35/32/931443532.db2.gz GSLPGEWAFSEFSG-JXFKEZNVSA-N 1 1 393.443 3.939 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000557884226 931738522 /nfs/dbraw/zinc/73/85/22/931738522.db2.gz PQRANXBWQUJPGG-MRXNPFEDSA-N 1 1 388.468 3.721 20 5 GHBDMO C/C(=C/C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784074107 931776023 /nfs/dbraw/zinc/77/60/23/931776023.db2.gz RSWGUUOWKVRERO-RUDRXDDOSA-N 1 1 379.460 3.731 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000784531220 931926912 /nfs/dbraw/zinc/92/69/12/931926912.db2.gz ZZOHOUXSAQGWAD-XOKHGSTOSA-N 1 1 393.459 3.859 20 5 GHBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000784638411 931966251 /nfs/dbraw/zinc/96/62/51/931966251.db2.gz NOBAKEPREFEBFA-RMKNXTFCSA-N 1 1 381.476 3.849 20 5 GHBDMO C[C@@H]1C[NH+](Cc2cccc(Nc3nc4sccn4c3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000558408746 931984950 /nfs/dbraw/zinc/98/49/50/931984950.db2.gz IOTIRFCFXNJCIN-CHWSQXEVSA-N 1 1 387.465 3.657 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000797076562 932170927 /nfs/dbraw/zinc/17/09/27/932170927.db2.gz HQCNNJCNTDDRGP-YLJYHZDGSA-N 1 1 399.878 3.934 20 5 GHBDMO Cc1ccc(CN(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000558739401 932204149 /nfs/dbraw/zinc/20/41/49/932204149.db2.gz KGOOKRDWDCFATB-UHFFFAOYSA-N 1 1 381.476 3.569 20 5 GHBDMO Cc1ccc(CN(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000558739401 932204152 /nfs/dbraw/zinc/20/41/52/932204152.db2.gz KGOOKRDWDCFATB-UHFFFAOYSA-N 1 1 381.476 3.569 20 5 GHBDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742283 932205953 /nfs/dbraw/zinc/20/59/53/932205953.db2.gz YEAHWIGIDQRXQP-ZDUSSCGKSA-N 1 1 384.461 3.706 20 5 GHBDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742283 932205960 /nfs/dbraw/zinc/20/59/60/932205960.db2.gz YEAHWIGIDQRXQP-ZDUSSCGKSA-N 1 1 384.461 3.706 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000558848362 932271359 /nfs/dbraw/zinc/27/13/59/932271359.db2.gz BYRQIKLCIRTPNM-QGZVFWFLSA-N 1 1 397.475 3.730 20 5 GHBDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000559079947 932417745 /nfs/dbraw/zinc/41/77/45/932417745.db2.gz QMGXJIFPTPHABA-UHFFFAOYSA-N 1 1 394.468 3.556 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000798193680 932558999 /nfs/dbraw/zinc/55/89/99/932558999.db2.gz MDNLXZLCKFILEB-YXJHDRRASA-N 1 1 395.887 3.592 20 5 GHBDMO O=[N+]([O-])c1cccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559326569 932602245 /nfs/dbraw/zinc/60/22/45/932602245.db2.gz OLMYCQHLPHUPNB-NRFANRHFSA-N 1 1 395.503 3.613 20 5 GHBDMO O=[N+]([O-])c1cccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559326569 932602247 /nfs/dbraw/zinc/60/22/47/932602247.db2.gz OLMYCQHLPHUPNB-NRFANRHFSA-N 1 1 395.503 3.613 20 5 GHBDMO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCN(Cc2ccccc2)C1 ZINC000798934743 932823533 /nfs/dbraw/zinc/82/35/33/932823533.db2.gz HZSMDZNYJXSVQZ-KCZVDYSFSA-N 1 1 397.523 3.777 20 5 GHBDMO C[C@@]1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014035 932852201 /nfs/dbraw/zinc/85/22/01/932852201.db2.gz BWUXOLJHIRKLLP-QFIPXVFZSA-N 1 1 392.459 3.718 20 5 GHBDMO C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000560759963 933536701 /nfs/dbraw/zinc/53/67/01/933536701.db2.gz KAGUCVCYWFJSRL-WZONZLPQSA-N 1 1 393.487 3.823 20 5 GHBDMO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000561233318 933981225 /nfs/dbraw/zinc/98/12/25/933981225.db2.gz GLKRUOHFTQZPNP-WBVHZDCISA-N 1 1 398.463 3.550 20 5 GHBDMO CCCn1cc[nH+]c1CCCN(C)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001118593645 934205799 /nfs/dbraw/zinc/20/57/99/934205799.db2.gz UHGSEJLAZLRUJI-UHFFFAOYSA-N 1 1 388.859 3.867 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000561682385 934361190 /nfs/dbraw/zinc/36/11/90/934361190.db2.gz JPJMDEKXYSGWFG-UHFFFAOYSA-N 1 1 383.452 3.957 20 5 GHBDMO CCC[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000777957616 934384357 /nfs/dbraw/zinc/38/43/57/934384357.db2.gz UQVDBSNXLYIWHT-AQNXPRMDSA-N 1 1 384.480 3.941 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCC2(CCC2)C1 ZINC000468149646 1015335297 /nfs/dbraw/zinc/33/52/97/1015335297.db2.gz ZEKMXBDFYTXGJX-CYBMUJFWSA-N 1 1 386.477 3.921 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCC2(CCC2)C1 ZINC000468149646 1015335301 /nfs/dbraw/zinc/33/53/01/1015335301.db2.gz ZEKMXBDFYTXGJX-CYBMUJFWSA-N 1 1 386.477 3.921 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001154888228 1032328576 /nfs/dbraw/zinc/32/85/76/1032328576.db2.gz DEPKHYRFHALMRS-CQSZACIVSA-N 1 1 377.510 3.796 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)NCc2c[nH+]c3n2CCC3)cc1[N+](=O)[O-] ZINC001154931777 1032347320 /nfs/dbraw/zinc/34/73/20/1032347320.db2.gz SKAFSKNXFHGOTF-UHFFFAOYSA-N 1 1 388.493 3.806 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001227339044 1032380776 /nfs/dbraw/zinc/38/07/76/1032380776.db2.gz XOXFWECNWKIZPU-HRCADAONSA-N 1 1 388.855 3.636 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)C1 ZINC001227518995 1032451083 /nfs/dbraw/zinc/45/10/83/1032451083.db2.gz SSKYGVZGEZGOKU-CYBMUJFWSA-N 1 1 390.465 3.555 20 5 GHBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001227544212 1032458442 /nfs/dbraw/zinc/45/84/42/1032458442.db2.gz JQYZYRABHIROAC-UKRRQHHQSA-N 1 1 390.461 3.732 20 5 GHBDMO COC(=O)c1cccc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001227896578 1032676754 /nfs/dbraw/zinc/67/67/54/1032676754.db2.gz JAMGFXXKQNVJFD-OAHLLOKOSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1cccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001227896578 1032676760 /nfs/dbraw/zinc/67/67/60/1032676760.db2.gz JAMGFXXKQNVJFD-OAHLLOKOSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001227897456 1032677267 /nfs/dbraw/zinc/67/72/67/1032677267.db2.gz QCVQFZJDCCUKGJ-CRAIPNDOSA-N 1 1 384.432 3.671 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000932700906 1018591774 /nfs/dbraw/zinc/59/17/74/1018591774.db2.gz GMLPAAJUBUUXIK-UHFFFAOYSA-N 1 1 379.476 3.637 20 5 GHBDMO COc1cc(C[N@H+](C)[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000563843524 1018970212 /nfs/dbraw/zinc/97/02/12/1018970212.db2.gz SIWMBFQIBRSVLH-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000563843524 1018970214 /nfs/dbraw/zinc/97/02/14/1018970214.db2.gz SIWMBFQIBRSVLH-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574470202 1019878022 /nfs/dbraw/zinc/87/80/22/1019878022.db2.gz ZBIFCXWKUQZGSS-INIZCTEOSA-N 1 1 385.439 3.572 20 5 GHBDMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574470202 1019878039 /nfs/dbraw/zinc/87/80/39/1019878039.db2.gz ZBIFCXWKUQZGSS-INIZCTEOSA-N 1 1 385.439 3.572 20 5 GHBDMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000576933407 1020088422 /nfs/dbraw/zinc/08/84/22/1020088422.db2.gz UEQHIWWTHGQQPZ-UHFFFAOYSA-N 1 1 390.447 3.623 20 5 GHBDMO C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000579620897 1020427891 /nfs/dbraw/zinc/42/78/91/1020427891.db2.gz ICLKSEPGNKEVSP-GOSISDBHSA-N 1 1 395.503 3.995 20 5 GHBDMO O=C(OC[C@@H]1CCC[N@@H+]1Cc1ccco1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000779230413 1020549110 /nfs/dbraw/zinc/54/91/10/1020549110.db2.gz MNMPUVONKYAUSV-ZDUSSCGKSA-N 1 1 396.346 3.611 20 5 GHBDMO O=C(OC[C@@H]1CCC[N@H+]1Cc1ccco1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000779230413 1020549116 /nfs/dbraw/zinc/54/91/16/1020549116.db2.gz MNMPUVONKYAUSV-ZDUSSCGKSA-N 1 1 396.346 3.611 20 5 GHBDMO CC[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CCCC1 ZINC000795406931 1021054798 /nfs/dbraw/zinc/05/47/98/1021054798.db2.gz SCADSRAYRTZGRQ-UHFFFAOYSA-N 1 1 382.258 3.535 20 5 GHBDMO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1OCC(=O)NC ZINC000748819379 1021722132 /nfs/dbraw/zinc/72/21/32/1021722132.db2.gz GRLUYDTUDGVDAH-QGZVFWFLSA-N 1 1 391.855 3.614 20 5 GHBDMO COC(=O)c1cc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc([N+](=O)[O-])c1 ZINC001228772798 1033089113 /nfs/dbraw/zinc/08/91/13/1033089113.db2.gz ZEMGBDNTPTUPBY-TYCQWZJGSA-N 1 1 396.443 3.671 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000755667086 1023329260 /nfs/dbraw/zinc/32/92/60/1023329260.db2.gz UNOIPSMLYPOYNA-RNUYOQPASA-N 1 1 396.447 3.617 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000830643917 1024032274 /nfs/dbraw/zinc/03/22/74/1024032274.db2.gz HEFCAHMXSHSYCX-UHFFFAOYSA-N 1 1 389.839 3.944 20 5 GHBDMO CN(C)c1cc(F)c(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000831187500 1024408629 /nfs/dbraw/zinc/40/86/29/1024408629.db2.gz HOUGJJXRTYIPOQ-UHFFFAOYSA-N 1 1 394.834 3.767 20 5 GHBDMO COC(=O)c1c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001229049739 1033249685 /nfs/dbraw/zinc/24/96/85/1033249685.db2.gz JRXMYQJSAFVVDU-CRAIPNDOSA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001162244459 1025688469 /nfs/dbraw/zinc/68/84/69/1025688469.db2.gz LAFPCNZDYYTCOT-MJBXVCDLSA-N 1 1 376.888 3.997 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1Br ZINC000839537502 1026026746 /nfs/dbraw/zinc/02/67/46/1026026746.db2.gz XVEOKGYQQDELHZ-KBPBESRZSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H](CCCO)c2ccccc2)c1Br ZINC000839541628 1026034076 /nfs/dbraw/zinc/03/40/76/1026034076.db2.gz GRUBZJJMAZFXRN-OAHLLOKOSA-N 1 1 379.254 3.961 20 5 GHBDMO Cn1cc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2Br)C(C)(C)C)cn1 ZINC000839544027 1026038217 /nfs/dbraw/zinc/03/82/17/1026038217.db2.gz OIQPAKZVDHEUFN-HNNXBMFYSA-N 1 1 381.274 3.968 20 5 GHBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3ccncn3)CC2)c1Br ZINC000839622374 1026125589 /nfs/dbraw/zinc/12/55/89/1026125589.db2.gz PGAITXJVVFKSDX-UHFFFAOYSA-N 1 1 377.242 3.527 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839636188 1026141994 /nfs/dbraw/zinc/14/19/94/1026141994.db2.gz OPRDJEOOYUSEMX-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839636188 1026142002 /nfs/dbraw/zinc/14/20/02/1026142002.db2.gz OPRDJEOOYUSEMX-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO O=[N+]([O-])c1cccc2cnc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)nc21 ZINC001164492588 1026529475 /nfs/dbraw/zinc/52/94/75/1026529475.db2.gz NFJFRFCYPXNWLJ-CEXWTWQISA-N 1 1 389.459 3.861 20 5 GHBDMO CN(Cc1ncccc1C(F)(F)F)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001165223589 1026672905 /nfs/dbraw/zinc/67/29/05/1026672905.db2.gz JGUWQEDMDCIAAY-SOFGYWHQSA-N 1 1 381.358 3.572 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001210446253 1027514994 /nfs/dbraw/zinc/51/49/94/1027514994.db2.gz HXXYFZBKDSSQEK-UHFFFAOYSA-N 1 1 376.844 3.752 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)C(=O)c1ccccc1 ZINC001142688221 1029271425 /nfs/dbraw/zinc/27/14/25/1029271425.db2.gz HWEKLXOMZMEJAP-UHFFFAOYSA-N 1 1 385.423 3.778 20 5 GHBDMO COc1ccc(-c2noc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])n2)c(F)c1 ZINC001216552974 1029683372 /nfs/dbraw/zinc/68/33/72/1029683372.db2.gz RGDZGPXZXOUPSM-UHFFFAOYSA-N 1 1 395.350 3.954 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126271 1029816522 /nfs/dbraw/zinc/81/65/22/1029816522.db2.gz HLQIPQPQHMQLTE-KGLIPLIRSA-N 1 1 382.302 3.569 20 5 GHBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC001217194601 1030226659 /nfs/dbraw/zinc/22/66/59/1030226659.db2.gz LIQXEPGPVQLJKE-ZDUSSCGKSA-N 1 1 399.289 3.662 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4C[NH2+]CCC45CC5)ccc3c21 ZINC001218406275 1030924146 /nfs/dbraw/zinc/92/41/46/1030924146.db2.gz ULGXRIHLIUNFMT-GOSISDBHSA-N 1 1 377.396 3.919 20 5 GHBDMO O=c1[nH]cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc12 ZINC001461772562 1069737786 /nfs/dbraw/zinc/73/77/86/1069737786.db2.gz ADHIIQGGDCZQNJ-UHFFFAOYSA-N 1 1 375.331 3.740 20 5 GHBDMO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001229233019 1033356876 /nfs/dbraw/zinc/35/68/76/1033356876.db2.gz PTKCXUKZEQDHRW-CYBMUJFWSA-N 1 1 385.258 3.812 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001157066817 1033399202 /nfs/dbraw/zinc/39/92/02/1033399202.db2.gz NGFGKWNLUWPHDZ-UHFFFAOYSA-N 1 1 395.438 3.778 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001205641381 1033506976 /nfs/dbraw/zinc/50/69/76/1033506976.db2.gz GHAIEONLRGWTSM-WMLDXEAASA-N 1 1 386.427 3.909 20 5 GHBDMO Cc1ccc(N2CCC[C@H](Oc3cc(Br)cnc3[N+](=O)[O-])C2)[nH+]c1 ZINC001229560701 1033558152 /nfs/dbraw/zinc/55/81/52/1033558152.db2.gz PTIAOOKKDCVDRK-ZDUSSCGKSA-N 1 1 393.241 3.504 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ncc(Br)cc3O)C2)cc1 ZINC001205882190 1033618634 /nfs/dbraw/zinc/61/86/34/1033618634.db2.gz JVIAIVVUKPRWSI-ZDUSSCGKSA-N 1 1 392.253 3.838 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC001157527401 1033639887 /nfs/dbraw/zinc/63/98/87/1033639887.db2.gz FULRXFBLNQBZJX-UHFFFAOYSA-N 1 1 385.489 3.663 20 5 GHBDMO C[NH+](C)CC(=O)Nc1ccc2nc(OC3CCC(=O)CC3)c3ccccc3c2c1 ZINC001229808049 1033731681 /nfs/dbraw/zinc/73/16/81/1033731681.db2.gz MYCZRABSZUHSHL-UHFFFAOYSA-N 1 1 391.471 3.779 20 5 GHBDMO COC(=O)c1cc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC001229941575 1033805218 /nfs/dbraw/zinc/80/52/18/1033805218.db2.gz KERLVCIVFQDCBF-OAHLLOKOSA-N 1 1 388.395 3.564 20 5 GHBDMO Cc1c(Br)cnc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001230034971 1033859780 /nfs/dbraw/zinc/85/97/80/1033859780.db2.gz NRLZYSPGJJSPHW-AWEZNQCLSA-N 1 1 392.253 3.714 20 5 GHBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001230464358 1034073588 /nfs/dbraw/zinc/07/35/88/1034073588.db2.gz HNCKIJQBJLGEFU-MISYRCLQSA-N 1 1 386.496 3.501 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[N@H+]2CC[C@@H]2C1 ZINC001158432008 1034076405 /nfs/dbraw/zinc/07/64/05/1034076405.db2.gz UWXWFBJSOYQFEA-GOSISDBHSA-N 1 1 390.443 3.616 20 5 GHBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(-c4cccc([N+](=O)[O-])c4)cc3)C[C@H]1[N@H+]2C ZINC001230941258 1034298872 /nfs/dbraw/zinc/29/88/72/1034298872.db2.gz OFQBAPXUJVTNCF-UVUJQTEASA-N 1 1 396.443 3.807 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001207669602 1034519930 /nfs/dbraw/zinc/51/99/30/1034519930.db2.gz HSODIJZTZOWTSU-RXBGNRNISA-N 1 1 375.469 3.939 20 5 GHBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001159515443 1034631963 /nfs/dbraw/zinc/63/19/63/1034631963.db2.gz OJUCLLNKGVUQOG-HNNXBMFYSA-N 1 1 385.251 3.558 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@]1(O)C(F)(F)F ZINC001232217881 1035167065 /nfs/dbraw/zinc/16/70/65/1035167065.db2.gz BAPILASLRGNKKR-YJYMSZOUSA-N 1 1 375.394 3.918 20 5 GHBDMO c1cncc(C[NH+]2C[C@@H]3CN(Cc4ccc5ccc6cccnc6c5n4)C[C@H]3C2)c1 ZINC001232219787 1035168455 /nfs/dbraw/zinc/16/84/55/1035168455.db2.gz FAWCSBCARMLVKF-FGZHOGPDSA-N 1 1 395.510 3.742 20 5 GHBDMO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@H]2C1 ZINC001232221701 1035169020 /nfs/dbraw/zinc/16/90/20/1035169020.db2.gz BDKANUIFKTWHTF-LDLYASANSA-N 1 1 386.499 3.520 20 5 GHBDMO Cc1cc(C)nc(N2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)n1 ZINC001232221872 1035170253 /nfs/dbraw/zinc/17/02/53/1035170253.db2.gz LPRXDRCWWZJRSG-UHFFFAOYSA-N 1 1 384.487 3.512 20 5 GHBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1)c1cccnc1 ZINC001232229007 1035173259 /nfs/dbraw/zinc/17/32/59/1035173259.db2.gz XAUVRNYBNJEBGS-HXUWFJFHSA-N 1 1 397.482 3.572 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001248207377 1035638319 /nfs/dbraw/zinc/63/83/19/1035638319.db2.gz DKMWIGKGGXACSU-LJQANCHMSA-N 1 1 387.399 3.949 20 5 GHBDMO CSc1cc(F)c(-c2noc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)n2)cc1F ZINC001248207560 1035639763 /nfs/dbraw/zinc/63/97/63/1035639763.db2.gz FZDZDMJQMFMAOV-CQSZACIVSA-N 1 1 392.387 3.887 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001248212576 1035644787 /nfs/dbraw/zinc/64/47/87/1035644787.db2.gz WQAZGUHOAZIMQZ-IBGZPJMESA-N 1 1 387.399 3.949 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2CC[NH2+]C3(CCCCC3)C2)c1F ZINC001246511437 1037449819 /nfs/dbraw/zinc/44/98/19/1037449819.db2.gz IYHHIFLSNNIEDO-HUUCEWRRSA-N 1 1 379.476 3.718 20 5 GHBDMO COc1c(O)ccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c1[N+](=O)[O-] ZINC001462189966 1070067621 /nfs/dbraw/zinc/06/76/21/1070067621.db2.gz IJWUKDLMDQJGEE-UHFFFAOYSA-N 1 1 393.443 3.949 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c1[N+](=O)[O-] ZINC001462189966 1070067639 /nfs/dbraw/zinc/06/76/39/1070067639.db2.gz IJWUKDLMDQJGEE-UHFFFAOYSA-N 1 1 393.443 3.949 20 5 GHBDMO CC(C)C[N@@H+](C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@@H]1CCCNC1 ZINC001246952967 1037759195 /nfs/dbraw/zinc/75/91/95/1037759195.db2.gz NNGJLZJKGJNWFO-MRXNPFEDSA-N 1 1 396.482 3.552 20 5 GHBDMO CC(C)CN(C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246952967 1037759213 /nfs/dbraw/zinc/75/92/13/1037759213.db2.gz NNGJLZJKGJNWFO-MRXNPFEDSA-N 1 1 396.482 3.552 20 5 GHBDMO COc1ccc(CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)cc1 ZINC001246968711 1037791353 /nfs/dbraw/zinc/79/13/53/1037791353.db2.gz XDHALPYZBKTCIX-KRWDZBQOSA-N 1 1 383.492 3.789 20 5 GHBDMO COc1c(O)cc(O[C@@H]2CCC[N@H+](C(C)C)C2)c2c(=O)c3ccccc3n(C)c12 ZINC001234175583 1039909431 /nfs/dbraw/zinc/90/94/31/1039909431.db2.gz IKZADDWDMLVPQI-OAHLLOKOSA-N 1 1 396.487 3.658 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](Oc4ccc(F)cc4)C3)CC2)cc1 ZINC001254478432 1040264529 /nfs/dbraw/zinc/26/45/29/1040264529.db2.gz CFUBFSTYOTZTOK-OAQYLSRUSA-N 1 1 385.439 3.856 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479271 1040266570 /nfs/dbraw/zinc/26/65/70/1040266570.db2.gz VWJHKJBYTGHSSL-IBGZPJMESA-N 1 1 389.496 3.760 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001254552413 1040320686 /nfs/dbraw/zinc/32/06/86/1040320686.db2.gz LIPFGXDXCXOKJT-NJAFHUGGSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001254552437 1040321132 /nfs/dbraw/zinc/32/11/32/1040321132.db2.gz LQSXURAVUYQKRV-BHYGNILZSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001254552437 1040321148 /nfs/dbraw/zinc/32/11/48/1040321148.db2.gz LQSXURAVUYQKRV-BHYGNILZSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001254556916 1040326738 /nfs/dbraw/zinc/32/67/38/1040326738.db2.gz NFGQXIOCDQGHGU-NXHRZFHOSA-N 1 1 386.521 3.579 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001254560458 1040332429 /nfs/dbraw/zinc/33/24/29/1040332429.db2.gz SWNFNZGVMVMHKZ-IERDGZPVSA-N 1 1 395.503 3.867 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001254560458 1040332442 /nfs/dbraw/zinc/33/24/42/1040332442.db2.gz SWNFNZGVMVMHKZ-IERDGZPVSA-N 1 1 395.503 3.867 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001254562745 1040335544 /nfs/dbraw/zinc/33/55/44/1040335544.db2.gz TYEPWCYXKHULRK-KSFYIVLOSA-N 1 1 397.450 3.794 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(c3ccccc3OC2=O)C1(C)C ZINC001254563816 1040337931 /nfs/dbraw/zinc/33/79/31/1040337931.db2.gz DDVRMNAOSVERFA-NYHFZMIOSA-N 1 1 380.444 3.867 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001254571332 1040347999 /nfs/dbraw/zinc/34/79/99/1040347999.db2.gz SNZYXAYKICYWAY-YLJYHZDGSA-N 1 1 382.460 3.981 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254589178 1040362726 /nfs/dbraw/zinc/36/27/26/1040362726.db2.gz NIEOGXOMZULKPT-AVRDEDQJSA-N 1 1 399.454 3.723 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1Cc3cnc(-c4ccc(F)cc4)nc3C1)C2 ZINC001254606837 1040378677 /nfs/dbraw/zinc/37/86/77/1040378677.db2.gz IHRBKEIYDICYFQ-IBGZPJMESA-N 1 1 376.391 3.674 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001254608259 1040379840 /nfs/dbraw/zinc/37/98/40/1040379840.db2.gz QBBHISUANQEGOE-UNWVZKJWSA-N 1 1 377.488 3.516 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001254608259 1040379854 /nfs/dbraw/zinc/37/98/54/1040379854.db2.gz QBBHISUANQEGOE-UNWVZKJWSA-N 1 1 377.488 3.516 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255437554 1041033724 /nfs/dbraw/zinc/03/37/24/1041033724.db2.gz MGNQHTDYFFPZJM-KRWDZBQOSA-N 1 1 378.432 3.867 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@H]3c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001256098985 1041526365 /nfs/dbraw/zinc/52/63/65/1041526365.db2.gz IGGAJPBRVAYTAI-IBGZPJMESA-N 1 1 382.464 3.804 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCOC4(CCCCC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100536 1041527125 /nfs/dbraw/zinc/52/71/25/1041527125.db2.gz KDVAKDTYVGHWSH-UHFFFAOYSA-N 1 1 389.496 3.607 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001278323573 1042970500 /nfs/dbraw/zinc/97/05/00/1042970500.db2.gz WCLMLYSZBHOORN-VMRPVKRXSA-N 1 1 379.460 3.841 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC001292097218 1043592340 /nfs/dbraw/zinc/59/23/40/1043592340.db2.gz JEZHBOPXLRHOOD-TXEJJXNPSA-N 1 1 383.439 3.668 20 5 GHBDMO C[C@@H]1C[N@H+](CCc2nnc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)C[C@H](C)O1 ZINC001258118082 1044405176 /nfs/dbraw/zinc/40/51/76/1044405176.db2.gz ANRHWGBFZDCUDK-OKILXGFUSA-N 1 1 398.419 3.557 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001294190185 1044516462 /nfs/dbraw/zinc/51/64/62/1044516462.db2.gz SLKTUSYSXSATMA-QGZVFWFLSA-N 1 1 387.867 3.524 20 5 GHBDMO O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001294550519 1044698317 /nfs/dbraw/zinc/69/83/17/1044698317.db2.gz QUHHXRZLNUSMLY-HXUWFJFHSA-N 1 1 399.878 3.798 20 5 GHBDMO O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001294550519 1044698323 /nfs/dbraw/zinc/69/83/23/1044698323.db2.gz QUHHXRZLNUSMLY-HXUWFJFHSA-N 1 1 399.878 3.798 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)CC[NH2+]2)cc1 ZINC001297009186 1045423402 /nfs/dbraw/zinc/42/34/02/1045423402.db2.gz CWKJEVZUBVNZQH-NRFANRHFSA-N 1 1 393.487 3.752 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC001297009477 1045423479 /nfs/dbraw/zinc/42/34/79/1045423479.db2.gz RKSZXRKNVBLUPC-GOSISDBHSA-N 1 1 385.489 3.666 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@](CO)(C(C)C)C2)cc1OC ZINC001261200210 1045916994 /nfs/dbraw/zinc/91/69/94/1045916994.db2.gz PXVVBCNPNBIZRT-HRAATJIYSA-N 1 1 394.512 3.869 20 5 GHBDMO CC[C@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000499108385 1046142730 /nfs/dbraw/zinc/14/27/30/1046142730.db2.gz ZPTHVMZQJOYHAM-IBGZPJMESA-N 1 1 388.468 3.802 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001262356262 1046246443 /nfs/dbraw/zinc/24/64/43/1046246443.db2.gz WNSSJWXGWJYFMZ-PXNSSMCTSA-N 1 1 386.448 3.909 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001266227183 1047720234 /nfs/dbraw/zinc/72/02/34/1047720234.db2.gz XSNWYQGHGBKUQR-FTIBCMOBSA-N 1 1 393.487 3.820 20 5 GHBDMO CC(C)[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001279363237 1047780635 /nfs/dbraw/zinc/78/06/35/1047780635.db2.gz AGFSCRFXFUOGSP-JQCPSUHGSA-N 1 1 393.487 3.977 20 5 GHBDMO CCCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCC[C@H]1C ZINC001306790657 1048895468 /nfs/dbraw/zinc/89/54/68/1048895468.db2.gz HOCKTFVDWNLYCL-MRXNPFEDSA-N 1 1 386.500 3.574 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CCC[N@H+]3C3CCCCC3)c2c1 ZINC001307107619 1049079459 /nfs/dbraw/zinc/07/94/59/1049079459.db2.gz BFYDMIKHIMNBJN-MRXNPFEDSA-N 1 1 384.480 3.783 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)cc1OC ZINC001307645096 1049471964 /nfs/dbraw/zinc/47/19/64/1049471964.db2.gz USNOVHWTPGOFIF-ULQDDVLXSA-N 1 1 393.528 3.943 20 5 GHBDMO Cc1ccc([C@H]2CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)c(C)c1 ZINC001307742753 1049555093 /nfs/dbraw/zinc/55/50/93/1049555093.db2.gz UBOFHDWEKQZAEN-SFHVURJKSA-N 1 1 379.460 3.590 20 5 GHBDMO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307779065 1049586219 /nfs/dbraw/zinc/58/62/19/1049586219.db2.gz IZHXQSLBSGDVKY-WIYYLYMNSA-N 1 1 395.503 3.830 20 5 GHBDMO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307779065 1049586230 /nfs/dbraw/zinc/58/62/30/1049586230.db2.gz IZHXQSLBSGDVKY-WIYYLYMNSA-N 1 1 395.503 3.830 20 5 GHBDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001307989335 1049742483 /nfs/dbraw/zinc/74/24/83/1049742483.db2.gz FFHCXVHGVWOKLO-QZTJIDSGSA-N 1 1 388.439 3.742 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)N2CCCc3c4[nH+]cn(C)c4ccc32)cccc1[N+](=O)[O-] ZINC001308155239 1049890322 /nfs/dbraw/zinc/89/03/22/1049890322.db2.gz HUWHXCLMJMRJBY-AWEZNQCLSA-N 1 1 393.447 3.570 20 5 GHBDMO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308176211 1049901635 /nfs/dbraw/zinc/90/16/35/1049901635.db2.gz APYVZLKMSZQVNA-INIZCTEOSA-N 1 1 381.448 3.955 20 5 GHBDMO CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308176211 1049901640 /nfs/dbraw/zinc/90/16/40/1049901640.db2.gz APYVZLKMSZQVNA-INIZCTEOSA-N 1 1 381.448 3.955 20 5 GHBDMO COCCOc1ncccc1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001308202731 1049910828 /nfs/dbraw/zinc/91/08/28/1049910828.db2.gz KSQLVDSWBHWKME-UHFFFAOYSA-N 1 1 383.404 3.565 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC001290890757 1049944621 /nfs/dbraw/zinc/94/46/21/1049944621.db2.gz AZMDWMZLKMJEPQ-HNNXBMFYSA-N 1 1 379.526 3.949 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001308802358 1050100698 /nfs/dbraw/zinc/10/06/98/1050100698.db2.gz LNEOFPZZFOKBLI-HOCLYGCPSA-N 1 1 378.469 3.793 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)s1 ZINC001308879860 1050136640 /nfs/dbraw/zinc/13/66/40/1050136640.db2.gz BWKCZBZEFCFZAY-CQSZACIVSA-N 1 1 389.477 3.834 20 5 GHBDMO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC001313238278 1052993279 /nfs/dbraw/zinc/99/32/79/1052993279.db2.gz LCPJIJZMMTZZIB-IRXDYDNUSA-N 1 1 382.464 3.744 20 5 GHBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001344448263 1054478070 /nfs/dbraw/zinc/47/80/70/1054478070.db2.gz NWXHOBJMRBQFQB-MRXNPFEDSA-N 1 1 375.450 3.636 20 5 GHBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001344448263 1054478085 /nfs/dbraw/zinc/47/80/85/1054478085.db2.gz NWXHOBJMRBQFQB-MRXNPFEDSA-N 1 1 375.450 3.636 20 5 GHBDMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001344473994 1054504848 /nfs/dbraw/zinc/50/48/48/1054504848.db2.gz SEJUZWBLLFQQFK-YJBOKZPZSA-N 1 1 398.463 3.636 20 5 GHBDMO C[C@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)cc1F ZINC001344813213 1054756455 /nfs/dbraw/zinc/75/64/55/1054756455.db2.gz SIGPJZLYXAKICS-GUYCJALGSA-N 1 1 390.386 3.794 20 5 GHBDMO C[C@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)cc1F ZINC001344813213 1054756466 /nfs/dbraw/zinc/75/64/66/1054756466.db2.gz SIGPJZLYXAKICS-GUYCJALGSA-N 1 1 390.386 3.794 20 5 GHBDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC001320051429 1055623546 /nfs/dbraw/zinc/62/35/46/1055623546.db2.gz JKBISWLHLCBESZ-KRWDZBQOSA-N 1 1 397.479 3.512 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC001320975534 1056040200 /nfs/dbraw/zinc/04/02/00/1056040200.db2.gz LRKWPEHQSXUAFL-AWEZNQCLSA-N 1 1 382.420 3.716 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1n1ccnc1 ZINC001324150903 1057079696 /nfs/dbraw/zinc/07/96/96/1057079696.db2.gz PQLIIZQXLMMVOA-MLGOLLRUSA-N 1 1 379.258 3.637 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1n1ccnc1 ZINC001324150903 1057079702 /nfs/dbraw/zinc/07/97/02/1057079702.db2.gz PQLIIZQXLMMVOA-MLGOLLRUSA-N 1 1 379.258 3.637 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001452969315 1061053713 /nfs/dbraw/zinc/05/37/13/1061053713.db2.gz HAHYGIHQQLJXGU-LJQANCHMSA-N 1 1 395.503 3.648 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001454395627 1061750132 /nfs/dbraw/zinc/75/01/32/1061750132.db2.gz COTHNOKLHSKYME-KSSFIOAISA-N 1 1 387.867 3.889 20 5 GHBDMO COc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001347522511 1062464954 /nfs/dbraw/zinc/46/49/54/1062464954.db2.gz QQJDYMRBKIFBAX-MRXNPFEDSA-N 1 1 398.463 3.589 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001456521181 1062729059 /nfs/dbraw/zinc/72/90/59/1062729059.db2.gz WJGMPLHIQXLQMV-INIZCTEOSA-N 1 1 387.867 3.951 20 5 GHBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001436158340 1063246037 /nfs/dbraw/zinc/24/60/37/1063246037.db2.gz SXJULKPJFGCCOD-KRWDZBQOSA-N 1 1 382.464 3.507 20 5 GHBDMO COc1ccc(C)cc1C[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001458073117 1063546211 /nfs/dbraw/zinc/54/62/11/1063546211.db2.gz KTZOPAYUKNONQX-UHFFFAOYSA-N 1 1 392.459 3.782 20 5 GHBDMO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001458079450 1063551721 /nfs/dbraw/zinc/55/17/21/1063551721.db2.gz DPQIMOUGCBPNPU-UHFFFAOYSA-N 1 1 380.423 3.994 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)c2c1 ZINC001458367839 1063766768 /nfs/dbraw/zinc/76/67/68/1063766768.db2.gz KUPGMQZXXRDSNP-QGZVFWFLSA-N 1 1 392.459 3.515 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001458497648 1063848354 /nfs/dbraw/zinc/84/83/54/1063848354.db2.gz BQDGVXBZXCPFCQ-MRXNPFEDSA-N 1 1 382.851 3.905 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001458536296 1063873166 /nfs/dbraw/zinc/87/31/66/1063873166.db2.gz KRXDQDFZOGGTFT-MAUKXSAKSA-N 1 1 394.475 3.660 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001458631124 1063909908 /nfs/dbraw/zinc/90/99/08/1063909908.db2.gz NFACRMCWVZWIRA-UWJYYQICSA-N 1 1 393.487 3.653 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001438579531 1064077065 /nfs/dbraw/zinc/07/70/65/1064077065.db2.gz LJGAHIHZYAOKQF-SFHVURJKSA-N 1 1 386.496 3.696 20 5 GHBDMO CC(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1Br ZINC001459657851 1064156402 /nfs/dbraw/zinc/15/64/02/1064156402.db2.gz QJNFFDAWRPIBPW-UHFFFAOYSA-N 1 1 381.274 3.712 20 5 GHBDMO CC[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001459915279 1064269359 /nfs/dbraw/zinc/26/93/59/1064269359.db2.gz DYZMQGZKBVMFFG-HKUYNNGSSA-N 1 1 396.491 3.518 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC001459938309 1064286695 /nfs/dbraw/zinc/28/66/95/1064286695.db2.gz IFKGOXDTSIEKBB-UHFFFAOYSA-N 1 1 387.665 3.648 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cc(Br)ccc1Cl ZINC001459938309 1064286697 /nfs/dbraw/zinc/28/66/97/1064286697.db2.gz IFKGOXDTSIEKBB-UHFFFAOYSA-N 1 1 387.665 3.648 20 5 GHBDMO CC(C)c1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001352081850 1064818011 /nfs/dbraw/zinc/81/80/11/1064818011.db2.gz UVSCHMUWQNLTKI-INIZCTEOSA-N 1 1 381.476 3.895 20 5 GHBDMO CC(C)Oc1cc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001353579942 1066057975 /nfs/dbraw/zinc/05/79/75/1066057975.db2.gz IJGNKKIAAHONFT-MRXNPFEDSA-N 1 1 385.464 3.632 20 5 GHBDMO CCOc1cc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001466987994 1066430415 /nfs/dbraw/zinc/43/04/15/1066430415.db2.gz CGKAEGAZCXMSLZ-QAPCUYQASA-N 1 1 398.463 3.778 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001467063342 1067042410 /nfs/dbraw/zinc/04/24/10/1067042410.db2.gz IHOJLOUWJWXAKZ-HNNXBMFYSA-N 1 1 385.468 3.919 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC001473279805 1067133567 /nfs/dbraw/zinc/13/35/67/1067133567.db2.gz GAUZDPTXYFRGHU-MRXNPFEDSA-N 1 1 375.469 3.977 20 5 GHBDMO Cc1c(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001467401205 1067277055 /nfs/dbraw/zinc/27/70/55/1067277055.db2.gz GHAUDVFUXCJJBR-NSHDSACASA-N 1 1 386.374 3.694 20 5 GHBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357960131 1067346641 /nfs/dbraw/zinc/34/66/41/1067346641.db2.gz QYTYZUVKYABCLC-LJQANCHMSA-N 1 1 396.491 3.815 20 5 GHBDMO CC[C@@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001467683294 1067418016 /nfs/dbraw/zinc/41/80/16/1067418016.db2.gz KWDZWWQMJVVTLX-LJQANCHMSA-N 1 1 376.501 4.000 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)CC1 ZINC001360928342 1068696288 /nfs/dbraw/zinc/69/62/88/1068696288.db2.gz FGNFQNYUYXQFNG-LJQANCHMSA-N 1 1 385.439 3.951 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@H]1c1ccccc1 ZINC001460224442 1068869668 /nfs/dbraw/zinc/86/96/68/1068869668.db2.gz RAUQTTULWUDGNK-FPOVZHCZSA-N 1 1 379.460 3.752 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001460224433 1068870138 /nfs/dbraw/zinc/87/01/38/1068870138.db2.gz RAUQTTULWUDGNK-CTNGQTDRSA-N 1 1 379.460 3.752 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001460253603 1068886604 /nfs/dbraw/zinc/88/66/04/1068886604.db2.gz BRGCVROPCSHEJP-INIZCTEOSA-N 1 1 378.469 3.808 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN([C@H](C)c2ccccc2)CC1 ZINC001460709155 1069109149 /nfs/dbraw/zinc/10/91/49/1069109149.db2.gz VQGVBUGEVOVYLZ-GOSISDBHSA-N 1 1 396.491 3.611 20 5 GHBDMO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001460815439 1069197733 /nfs/dbraw/zinc/19/77/33/1069197733.db2.gz CQDXFHBWBRZYFJ-FQEVSTJZSA-N 1 1 375.469 3.960 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001460877512 1069246907 /nfs/dbraw/zinc/24/69/07/1069246907.db2.gz DHVOOUFBHKJGMQ-INIZCTEOSA-N 1 1 393.484 3.600 20 5 GHBDMO CSc1cccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001460892392 1069257806 /nfs/dbraw/zinc/25/78/06/1069257806.db2.gz WWMLVXIGIKNLPJ-OAHLLOKOSA-N 1 1 385.489 3.663 20 5 GHBDMO CSc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001460892392 1069257820 /nfs/dbraw/zinc/25/78/20/1069257820.db2.gz WWMLVXIGIKNLPJ-OAHLLOKOSA-N 1 1 385.489 3.663 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460957917 1069297067 /nfs/dbraw/zinc/29/70/67/1069297067.db2.gz BCZAZKLJXNSGLF-UHFFFAOYSA-N 1 1 393.484 3.682 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460960707 1069299020 /nfs/dbraw/zinc/29/90/20/1069299020.db2.gz SOALILRMAZTQAI-UHFFFAOYSA-N 1 1 393.484 3.682 20 5 GHBDMO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001470711436 1072697851 /nfs/dbraw/zinc/69/78/51/1072697851.db2.gz NBNJPBVOXDNXFO-WMZOPIPTSA-N 1 1 399.516 3.775 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC001471142665 1072940115 /nfs/dbraw/zinc/94/01/15/1072940115.db2.gz ARTWAWKMISDDTJ-GOSISDBHSA-N 1 1 396.491 3.712 20 5 GHBDMO C[C@H](NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001471326916 1073019896 /nfs/dbraw/zinc/01/98/96/1073019896.db2.gz LZJMLYZHPLESKM-ROUUACIJSA-N 1 1 396.491 3.962 20 5 GHBDMO CCOc1ccc(C[NH+]2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)cc1 ZINC001472646634 1073593602 /nfs/dbraw/zinc/59/36/02/1073593602.db2.gz WUPSQKSVDNXVKE-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001472798908 1073670739 /nfs/dbraw/zinc/67/07/39/1073670739.db2.gz BDBPQPQPWNIEGM-YWZLYKJASA-N 1 1 394.475 3.562 20 5 GHBDMO CCn1c(=O)c2cc3ccccc3cc2nc1SCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001472953212 1073734043 /nfs/dbraw/zinc/73/40/43/1073734043.db2.gz KYLMOMRPTARLHB-HOTGVXAUSA-N 1 1 397.544 3.771 20 5 GHBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525796 1074001558 /nfs/dbraw/zinc/00/15/58/1074001558.db2.gz GVCXCIYMXPAZCL-RTBURBONSA-N 1 1 383.448 3.711 20 5 GHBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525796 1074001568 /nfs/dbraw/zinc/00/15/68/1074001568.db2.gz GVCXCIYMXPAZCL-RTBURBONSA-N 1 1 383.448 3.711 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC001473585231 1074032701 /nfs/dbraw/zinc/03/27/01/1074032701.db2.gz KQOYRVQWCGYTFU-WFASDCNBSA-N 1 1 386.233 3.964 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](Cc2ccc(C)c(C)c2)C2CC2)cc1[N+](=O)[O-] ZINC001474316642 1074338811 /nfs/dbraw/zinc/33/88/11/1074338811.db2.gz CORZHRLTIVLFHF-UHFFFAOYSA-N 1 1 398.459 3.928 20 5 GHBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC001474345992 1074354652 /nfs/dbraw/zinc/35/46/52/1074354652.db2.gz ZTKYBMFORMHFTJ-QGZVFWFLSA-N 1 1 398.381 3.623 20 5 GHBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC001474345992 1074354658 /nfs/dbraw/zinc/35/46/58/1074354658.db2.gz ZTKYBMFORMHFTJ-QGZVFWFLSA-N 1 1 398.381 3.623 20 5 GHBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccccc3OCC(F)F)CC2)c1 ZINC001474379282 1074374605 /nfs/dbraw/zinc/37/46/05/1074374605.db2.gz TWFAHSDJMBNXHU-UHFFFAOYSA-N 1 1 377.391 3.561 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001474550033 1074460140 /nfs/dbraw/zinc/46/01/40/1074460140.db2.gz HUMRTXFFRLQBOZ-WMZOPIPTSA-N 1 1 398.356 3.914 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001474550033 1074460146 /nfs/dbraw/zinc/46/01/46/1074460146.db2.gz HUMRTXFFRLQBOZ-WMZOPIPTSA-N 1 1 398.356 3.914 20 5 GHBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001476324211 1075124991 /nfs/dbraw/zinc/12/49/91/1075124991.db2.gz AWJMENCGBSMZAP-RYUDHWBXSA-N 1 1 388.390 3.856 20 5 GHBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164647646 719312845 /nfs/dbraw/zinc/31/28/45/719312845.db2.gz DOJRMAXNFBHULQ-UHFFFAOYSA-N 1 1 394.479 3.545 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721213 720357260 /nfs/dbraw/zinc/35/72/60/720357260.db2.gz BQMAZZNELYFEMR-KGLIPLIRSA-N 1 1 394.262 3.545 20 5 GHBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841737 720662754 /nfs/dbraw/zinc/66/27/54/720662754.db2.gz PTILWDJRGHNRRE-HXUWFJFHSA-N 1 1 396.491 3.558 20 5 GHBDMO Cc1ccc(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000472521312 837387139 /nfs/dbraw/zinc/38/71/39/837387139.db2.gz MFTPAVHVFQEPCU-LFUKPOHLSA-N 1 1 381.476 3.790 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000173264343 837601974 /nfs/dbraw/zinc/60/19/74/837601974.db2.gz ZXFKZCFZCKLLGK-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000173264343 837601977 /nfs/dbraw/zinc/60/19/77/837601977.db2.gz ZXFKZCFZCKLLGK-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176931564 837604339 /nfs/dbraw/zinc/60/43/39/837604339.db2.gz JLKUHALQEPFIBX-NVXWUHKLSA-N 1 1 398.463 3.778 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000510082283 835008778 /nfs/dbraw/zinc/00/87/78/835008778.db2.gz DODUAIOUJHDVJR-IEBWSBKVSA-N 1 1 381.476 3.554 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1cccs1 ZINC000610200058 835021163 /nfs/dbraw/zinc/02/11/63/835021163.db2.gz BBZBKMSBRPNYRT-ORAYPTAESA-N 1 1 398.488 3.951 20 5 GHBDMO CC[N@@H+](CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1)CC1CC1 ZINC000430206528 835076814 /nfs/dbraw/zinc/07/68/14/835076814.db2.gz WKROHTHMFRRXKI-UHFFFAOYSA-N 1 1 375.513 3.937 20 5 GHBDMO CC[N@H+](CCC1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1)CC1CC1 ZINC000430206528 835076825 /nfs/dbraw/zinc/07/68/25/835076825.db2.gz WKROHTHMFRRXKI-UHFFFAOYSA-N 1 1 375.513 3.937 20 5 GHBDMO CC[N@@H+](CCC1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1)CC1CC1 ZINC000430206528 835076834 /nfs/dbraw/zinc/07/68/34/835076834.db2.gz WKROHTHMFRRXKI-UHFFFAOYSA-N 1 1 375.513 3.937 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000176796331 835087154 /nfs/dbraw/zinc/08/71/54/835087154.db2.gz AWKTXWXECJEIFW-UHFFFAOYSA-N 1 1 399.466 3.823 20 5 GHBDMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3OC)ccc2NC1=O ZINC000430207117 835089459 /nfs/dbraw/zinc/08/94/59/835089459.db2.gz YUEKHOXUDGVCBQ-PXAZEXFGSA-N 1 1 385.420 3.564 20 5 GHBDMO COc1cc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000157584280 835251888 /nfs/dbraw/zinc/25/18/88/835251888.db2.gz CEBMZCDNAPGFJT-MRXNPFEDSA-N 1 1 389.496 3.720 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1[N+](=O)[O-] ZINC000179419716 835693410 /nfs/dbraw/zinc/69/34/10/835693410.db2.gz MOIDQCYIDUKBBM-LBPRGKRZSA-N 1 1 375.381 3.761 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411155526 836071072 /nfs/dbraw/zinc/07/10/72/836071072.db2.gz NSBAWLVMZWZVEM-SFHVURJKSA-N 1 1 397.431 3.532 20 5 GHBDMO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928084 836193614 /nfs/dbraw/zinc/19/36/14/836193614.db2.gz OLMISYCEAZSOKJ-GOSISDBHSA-N 1 1 383.492 3.895 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065957192 836357724 /nfs/dbraw/zinc/35/77/24/836357724.db2.gz LRMOMWNJLMPWGB-MRXNPFEDSA-N 1 1 382.464 3.523 20 5 GHBDMO COC(=O)c1cc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000610770035 844170795 /nfs/dbraw/zinc/17/07/95/844170795.db2.gz PLCASGRYYZDIMP-SFHVURJKSA-N 1 1 394.431 3.819 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000175466894 836531602 /nfs/dbraw/zinc/53/16/02/836531602.db2.gz ZENNDQNLSNDIBS-UHFFFAOYSA-N 1 1 384.480 3.781 20 5 GHBDMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)ccc2NC1=O ZINC000180016759 836686753 /nfs/dbraw/zinc/68/67/53/836686753.db2.gz ASSYECKLCLHIKB-BDJLRTHQSA-N 1 1 396.403 3.696 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430340410 836726229 /nfs/dbraw/zinc/72/62/29/836726229.db2.gz FOHYKZFSOGWAON-UHFFFAOYSA-N 1 1 378.432 3.509 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000053126909 836769996 /nfs/dbraw/zinc/76/99/96/836769996.db2.gz LHMGFBCVALJYLD-LBPRGKRZSA-N 1 1 393.390 3.903 20 5 GHBDMO C[C@@H](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000177689412 837012763 /nfs/dbraw/zinc/01/27/63/837012763.db2.gz YYFVFHGQBZHHIE-AWEZNQCLSA-N 1 1 375.856 3.889 20 5 GHBDMO CC(C)[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000180070172 837065751 /nfs/dbraw/zinc/06/57/51/837065751.db2.gz WYLHQAMOVOWSMS-GOTSBHOMSA-N 1 1 396.535 3.546 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066676433 837197858 /nfs/dbraw/zinc/19/78/58/837197858.db2.gz FVPUICJXMIKHND-UHFFFAOYSA-N 1 1 381.476 3.508 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000180392776 837203012 /nfs/dbraw/zinc/20/30/12/837203012.db2.gz QQVGKYNTTWCFRO-LLVKDONJSA-N 1 1 393.237 3.979 20 5 GHBDMO COc1cccc2sc(NC(=O)C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)nc21 ZINC000180418528 837227195 /nfs/dbraw/zinc/22/71/95/837227195.db2.gz KZDIIFGRSGVCKE-NSHDSACASA-N 1 1 386.433 3.502 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000549323433 837899856 /nfs/dbraw/zinc/89/98/56/837899856.db2.gz FLPOFFCYGFWBLV-SFHVURJKSA-N 1 1 391.855 3.680 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134947814 838017532 /nfs/dbraw/zinc/01/75/32/838017532.db2.gz WRBURLKVSMYIBS-CABCVRRESA-N 1 1 379.888 3.975 20 5 GHBDMO CSc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610296981 838201986 /nfs/dbraw/zinc/20/19/86/838201986.db2.gz RYQFYQWDAGSLKJ-QGZVFWFLSA-N 1 1 385.489 3.663 20 5 GHBDMO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000408424946 844320433 /nfs/dbraw/zinc/32/04/33/844320433.db2.gz YRBJOEGYALQWAX-FNXXIHLHSA-N 1 1 388.464 3.631 20 5 GHBDMO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000408424946 844320447 /nfs/dbraw/zinc/32/04/47/844320447.db2.gz YRBJOEGYALQWAX-FNXXIHLHSA-N 1 1 388.464 3.631 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H]1C ZINC000548038402 838652891 /nfs/dbraw/zinc/65/28/91/838652891.db2.gz BRUUQMFKPLNGER-RDJZCZTQSA-N 1 1 377.488 3.626 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000275752176 838686636 /nfs/dbraw/zinc/68/66/36/838686636.db2.gz DMMHINSQEBEGMK-KBPBESRZSA-N 1 1 379.888 3.939 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000128454582 838724304 /nfs/dbraw/zinc/72/43/04/838724304.db2.gz UXRCIAHBTSNFLX-CQSZACIVSA-N 1 1 387.436 3.634 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000128454582 838724309 /nfs/dbraw/zinc/72/43/09/838724309.db2.gz UXRCIAHBTSNFLX-CQSZACIVSA-N 1 1 387.436 3.634 20 5 GHBDMO CC[NH+](CC)Cc1ccccc1CN[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000070870157 838770355 /nfs/dbraw/zinc/77/03/55/838770355.db2.gz ZUTSUFFAXLMWSY-MRXNPFEDSA-N 1 1 384.480 3.553 20 5 GHBDMO COC(=O)c1ccc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000104667806 838834273 /nfs/dbraw/zinc/83/42/73/838834273.db2.gz DAWIOZQNSOJBRS-UHFFFAOYSA-N 1 1 395.415 3.711 20 5 GHBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1c[nH+]ccc1-n1cccn1 ZINC000541286985 838835277 /nfs/dbraw/zinc/83/52/77/838835277.db2.gz UVKMZKCTMKNEME-UHFFFAOYSA-N 1 1 389.824 3.560 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000275852229 839345997 /nfs/dbraw/zinc/34/59/97/839345997.db2.gz IBHIZTIHXRCXGU-OAHLLOKOSA-N 1 1 377.828 3.717 20 5 GHBDMO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000549445786 839375604 /nfs/dbraw/zinc/37/56/04/839375604.db2.gz BPVKYEKUVMJJBM-QGZVFWFLSA-N 1 1 384.354 3.788 20 5 GHBDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000549445786 839375614 /nfs/dbraw/zinc/37/56/14/839375614.db2.gz BPVKYEKUVMJJBM-QGZVFWFLSA-N 1 1 384.354 3.788 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000412072920 839379622 /nfs/dbraw/zinc/37/96/22/839379622.db2.gz QDCYAAUFTMZXQQ-CQSZACIVSA-N 1 1 388.468 3.805 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000412072920 839379635 /nfs/dbraw/zinc/37/96/35/839379635.db2.gz QDCYAAUFTMZXQQ-CQSZACIVSA-N 1 1 388.468 3.805 20 5 GHBDMO CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610436445 839391833 /nfs/dbraw/zinc/39/18/33/839391833.db2.gz XMGWKDRUIKADCU-GOSISDBHSA-N 1 1 381.476 3.799 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177788576 839799279 /nfs/dbraw/zinc/79/92/79/839799279.db2.gz YQJPJZASFVRRGO-UHFFFAOYSA-N 1 1 388.493 3.699 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177788576 839799285 /nfs/dbraw/zinc/79/92/85/839799285.db2.gz YQJPJZASFVRRGO-UHFFFAOYSA-N 1 1 388.493 3.699 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610451283 839928544 /nfs/dbraw/zinc/92/85/44/839928544.db2.gz NFPPYCSVVTULPV-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610451283 839928547 /nfs/dbraw/zinc/92/85/47/839928547.db2.gz NFPPYCSVVTULPV-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610451283 839928553 /nfs/dbraw/zinc/92/85/53/839928553.db2.gz NFPPYCSVVTULPV-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO COc1c(O)ccc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020212 839951904 /nfs/dbraw/zinc/95/19/04/839951904.db2.gz NUOYCWHAKXPYJW-DYVFJYSZSA-N 1 1 391.493 3.543 20 5 GHBDMO COc1c(O)ccc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020212 839951913 /nfs/dbraw/zinc/95/19/13/839951913.db2.gz NUOYCWHAKXPYJW-DYVFJYSZSA-N 1 1 391.493 3.543 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000610451579 840023957 /nfs/dbraw/zinc/02/39/57/840023957.db2.gz USYHYEXGNZFPTI-QZTJIDSGSA-N 1 1 396.491 3.518 20 5 GHBDMO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580767680 840158107 /nfs/dbraw/zinc/15/81/07/840158107.db2.gz HUFBPSQETSWYJO-UHFFFAOYSA-N 1 1 376.420 3.563 20 5 GHBDMO Cc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000015102570 840225874 /nfs/dbraw/zinc/22/58/74/840225874.db2.gz SAJCSJFUXUSUMC-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000015102570 840225880 /nfs/dbraw/zinc/22/58/80/840225880.db2.gz SAJCSJFUXUSUMC-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000511800358 840792969 /nfs/dbraw/zinc/79/29/69/840792969.db2.gz AXNQJKFSRBIMCS-FQEVSTJZSA-N 1 1 397.475 3.634 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181679350 840988747 /nfs/dbraw/zinc/98/87/47/840988747.db2.gz PIVPQFXEWVNHIH-ZFWWWQNUSA-N 1 1 377.510 3.700 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500976238 844605658 /nfs/dbraw/zinc/60/56/58/844605658.db2.gz JAODIDYNUUBOGC-INIZCTEOSA-N 1 1 389.839 3.730 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000123031780 841212154 /nfs/dbraw/zinc/21/21/54/841212154.db2.gz WJYCOIPDGWWNKE-HOTGVXAUSA-N 1 1 390.484 3.722 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000302078132 861198596 /nfs/dbraw/zinc/19/85/96/861198596.db2.gz XADNYBMPYJVPCM-KBPBESRZSA-N 1 1 397.317 3.843 20 5 GHBDMO COc1cccc([C@H]2[C@H](Nc3nc4sccn4c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000302076124 861198722 /nfs/dbraw/zinc/19/87/22/861198722.db2.gz WGZKNTQSNRRMOG-CVEARBPZSA-N 1 1 399.476 3.703 20 5 GHBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H]1C ZINC000500111307 841464745 /nfs/dbraw/zinc/46/47/45/841464745.db2.gz IEWWBKLSOMRCLZ-IAGOWNOFSA-N 1 1 396.491 3.762 20 5 GHBDMO O=C(CC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000500152938 841526132 /nfs/dbraw/zinc/52/61/32/841526132.db2.gz IXMOLVBYWVPVEO-JOCHJYFZSA-N 1 1 390.443 3.830 20 5 GHBDMO O=C(CC[N@H+]1CCn2cccc2[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000500152938 841526144 /nfs/dbraw/zinc/52/61/44/841526144.db2.gz IXMOLVBYWVPVEO-JOCHJYFZSA-N 1 1 390.443 3.830 20 5 GHBDMO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487352646 841668058 /nfs/dbraw/zinc/66/80/58/841668058.db2.gz JCKZPJPIJSUBMP-GDBMZVCRSA-N 1 1 387.867 3.889 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510433720 841721534 /nfs/dbraw/zinc/72/15/34/841721534.db2.gz GZVZSDXXMSVXOR-GOSISDBHSA-N 1 1 393.447 3.529 20 5 GHBDMO CNC(=O)c1ccc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000053571960 841805361 /nfs/dbraw/zinc/80/53/61/841805361.db2.gz UYGDDJIKFSCIMT-INIZCTEOSA-N 1 1 396.491 3.941 20 5 GHBDMO C[N@@H+](CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCCC1 ZINC000489802381 861247501 /nfs/dbraw/zinc/24/75/01/861247501.db2.gz AVBFHVQGYYERIC-UHFFFAOYSA-N 1 1 388.512 3.923 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1Br ZINC000467017148 842178537 /nfs/dbraw/zinc/17/85/37/842178537.db2.gz OQJXRCAZUTZIIL-UHFFFAOYSA-N 1 1 396.216 3.810 20 5 GHBDMO CC(C)NC(=O)c1ccc(NCCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000603859806 861286049 /nfs/dbraw/zinc/28/60/49/861286049.db2.gz WGWBGUCGTBCFLR-MRXNPFEDSA-N 1 1 376.501 3.800 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C2)cc1F ZINC000600215005 861292095 /nfs/dbraw/zinc/29/20/95/861292095.db2.gz XODDMYUHDFYKRD-CQSZACIVSA-N 1 1 390.411 3.749 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000247375034 842305917 /nfs/dbraw/zinc/30/59/17/842305917.db2.gz LBQUKJOGLWTXAE-PXAZEXFGSA-N 1 1 377.441 3.608 20 5 GHBDMO CN(C(=O)C[NH2+]C(C)(C)c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000599532939 861296235 /nfs/dbraw/zinc/29/62/35/861296235.db2.gz DCSKSZULKNHREE-UHFFFAOYSA-N 1 1 384.461 3.692 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600229962 861313038 /nfs/dbraw/zinc/31/30/38/861313038.db2.gz YZHHVVKXGOREQD-CQSZACIVSA-N 1 1 385.386 3.750 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)COCc1ccccc1 ZINC000511937005 842490583 /nfs/dbraw/zinc/49/05/83/842490583.db2.gz CROLDAUSXQJDML-SFHVURJKSA-N 1 1 396.443 3.864 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000187466295 842494737 /nfs/dbraw/zinc/49/47/37/842494737.db2.gz ZACIBIQRFOVYKF-SFHVURJKSA-N 1 1 387.867 3.889 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000430704187 842856860 /nfs/dbraw/zinc/85/68/60/842856860.db2.gz XCGREKORJIWCMN-CRAIPNDOSA-N 1 1 392.459 3.859 20 5 GHBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000610582304 843094941 /nfs/dbraw/zinc/09/49/41/843094941.db2.gz DGZSUHSPYFQKBD-SFHVURJKSA-N 1 1 380.448 3.832 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000512257880 843246941 /nfs/dbraw/zinc/24/69/41/843246941.db2.gz FZXAPQDJXZIOPJ-INIZCTEOSA-N 1 1 376.375 3.661 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000512257880 843246948 /nfs/dbraw/zinc/24/69/48/843246948.db2.gz FZXAPQDJXZIOPJ-INIZCTEOSA-N 1 1 376.375 3.661 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000603943400 861431357 /nfs/dbraw/zinc/43/13/57/861431357.db2.gz CMMDBZKZHBCRMP-CALCHBBNSA-N 1 1 388.512 3.611 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000542324462 843798266 /nfs/dbraw/zinc/79/82/66/843798266.db2.gz DPFJXDVHFMXGIY-UHFFFAOYSA-N 1 1 399.944 3.919 20 5 GHBDMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433224903 843885186 /nfs/dbraw/zinc/88/51/86/843885186.db2.gz DVSPJBHXKYSKJE-LJQANCHMSA-N 1 1 382.464 3.969 20 5 GHBDMO C[N@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433230314 843892002 /nfs/dbraw/zinc/89/20/02/843892002.db2.gz FJFVUNOORKNSSP-QGZVFWFLSA-N 1 1 377.803 3.625 20 5 GHBDMO C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433230314 843892011 /nfs/dbraw/zinc/89/20/11/843892011.db2.gz FJFVUNOORKNSSP-QGZVFWFLSA-N 1 1 377.803 3.625 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](Cc2cccs2)CC1 ZINC000015518518 843921038 /nfs/dbraw/zinc/92/10/38/843921038.db2.gz XWRJNNKWXMEOKK-CQSZACIVSA-N 1 1 399.476 3.585 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000433250078 843927758 /nfs/dbraw/zinc/92/77/58/843927758.db2.gz YXRQLZRDWQMRSY-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO CC1(C)C[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279595 843950549 /nfs/dbraw/zinc/95/05/49/843950549.db2.gz UDIGWINWRYTRDQ-GMAHTHKFSA-N 1 1 395.503 3.544 20 5 GHBDMO CC1(C)C[C@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279595 843950557 /nfs/dbraw/zinc/95/05/57/843950557.db2.gz UDIGWINWRYTRDQ-GMAHTHKFSA-N 1 1 395.503 3.544 20 5 GHBDMO COc1ccc([C@H]2CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)cc1F ZINC000599677991 861475783 /nfs/dbraw/zinc/47/57/83/861475783.db2.gz HJMBLDIOKAKLKX-HNNXBMFYSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)cc1F ZINC000599677991 861475787 /nfs/dbraw/zinc/47/57/87/861475787.db2.gz HJMBLDIOKAKLKX-HNNXBMFYSA-N 1 1 398.394 3.782 20 5 GHBDMO C[NH+](C)Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000500778655 844006615 /nfs/dbraw/zinc/00/66/15/844006615.db2.gz JXBBWBPDMBCBAA-UHFFFAOYSA-N 1 1 376.844 3.751 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000512619938 844762488 /nfs/dbraw/zinc/76/24/88/844762488.db2.gz RGMWKIMZWQWHQM-HXUWFJFHSA-N 1 1 388.512 3.576 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000542266341 845213219 /nfs/dbraw/zinc/21/32/19/845213219.db2.gz WNXDGWRQUKXISH-INIZCTEOSA-N 1 1 388.851 3.777 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000542266341 845213227 /nfs/dbraw/zinc/21/32/27/845213227.db2.gz WNXDGWRQUKXISH-INIZCTEOSA-N 1 1 388.851 3.777 20 5 GHBDMO CCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000538720390 845596450 /nfs/dbraw/zinc/59/64/50/845596450.db2.gz WPZWUIZBVZGNMP-ZMYBRWDISA-N 1 1 378.469 3.638 20 5 GHBDMO C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000320783415 846019201 /nfs/dbraw/zinc/01/92/01/846019201.db2.gz JMAVJAPULKJFOE-QGZVFWFLSA-N 1 1 376.254 3.850 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000513673068 846220332 /nfs/dbraw/zinc/22/03/32/846220332.db2.gz OCTKIORRYIVLKC-OAQYLSRUSA-N 1 1 387.443 3.798 20 5 GHBDMO COc1ccc(C(C)(C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000513678371 846225143 /nfs/dbraw/zinc/22/51/43/846225143.db2.gz MDYCVISDRQMWNO-HXUWFJFHSA-N 1 1 394.475 3.994 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280261738 846344761 /nfs/dbraw/zinc/34/47/61/846344761.db2.gz XTYVBKMRNVDQCG-SJLPKXTDSA-N 1 1 397.475 3.634 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000551556994 846433669 /nfs/dbraw/zinc/43/36/69/846433669.db2.gz AWNYJYKLBXEQDA-DNVCBOLYSA-N 1 1 387.480 3.956 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cnc4n3CCCC4)o2)c([N+](=O)[O-])c1 ZINC000551617082 846446354 /nfs/dbraw/zinc/44/63/54/846446354.db2.gz MIHMLHWBGBRCSG-UHFFFAOYSA-N 1 1 382.420 3.686 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183204419 846606037 /nfs/dbraw/zinc/60/60/37/846606037.db2.gz QUBXHCSKZUNBCQ-UHFFFAOYSA-N 1 1 384.358 3.656 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2[C@H](C)COC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000501074622 846615879 /nfs/dbraw/zinc/61/58/79/846615879.db2.gz CRHVWQRHUFWJEL-FOIQADDNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2[C@H](C)COC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000501074622 846615888 /nfs/dbraw/zinc/61/58/88/846615888.db2.gz CRHVWQRHUFWJEL-FOIQADDNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccccc1[C@@]1(F)CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000502929816 846623923 /nfs/dbraw/zinc/62/39/23/846623923.db2.gz FBHDUYSVJFNEDW-OAQYLSRUSA-N 1 1 399.422 3.772 20 5 GHBDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000502929816 846623930 /nfs/dbraw/zinc/62/39/30/846623930.db2.gz FBHDUYSVJFNEDW-OAQYLSRUSA-N 1 1 399.422 3.772 20 5 GHBDMO Cc1ccc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c(N2CCCC2)[nH+]1 ZINC000611582243 846637561 /nfs/dbraw/zinc/63/75/61/846637561.db2.gz MYZUHVHNHGKOJF-UHFFFAOYSA-N 1 1 382.464 3.754 20 5 GHBDMO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000582271629 846768253 /nfs/dbraw/zinc/76/82/53/846768253.db2.gz HKFJEHAZJBAZNN-HXUWFJFHSA-N 1 1 395.459 3.565 20 5 GHBDMO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000582271629 846768263 /nfs/dbraw/zinc/76/82/63/846768263.db2.gz HKFJEHAZJBAZNN-HXUWFJFHSA-N 1 1 395.459 3.565 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c2cccnc21 ZINC000413235038 847004239 /nfs/dbraw/zinc/00/42/39/847004239.db2.gz FYERYOYWRZMBHO-GOSISDBHSA-N 1 1 392.459 3.712 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000501637049 847069274 /nfs/dbraw/zinc/06/92/74/847069274.db2.gz JEKSYLDPUYHGIL-FQEVSTJZSA-N 1 1 381.476 3.716 20 5 GHBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)c1 ZINC000604071221 861752465 /nfs/dbraw/zinc/75/24/65/861752465.db2.gz YQMKMUWMKLFVJA-UHFFFAOYSA-N 1 1 395.381 3.858 20 5 GHBDMO C[C@@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000604094225 861769861 /nfs/dbraw/zinc/76/98/61/861769861.db2.gz FKOJYKSLZOBVLE-QGZVFWFLSA-N 1 1 388.512 3.953 20 5 GHBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000366652130 847370882 /nfs/dbraw/zinc/37/08/82/847370882.db2.gz JUPJUIICJDHJES-WOJBJXKFSA-N 1 1 398.850 3.793 20 5 GHBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000366652130 847370890 /nfs/dbraw/zinc/37/08/90/847370890.db2.gz JUPJUIICJDHJES-WOJBJXKFSA-N 1 1 398.850 3.793 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420931035 847550112 /nfs/dbraw/zinc/55/01/12/847550112.db2.gz DAONYNLJOZYVAW-WWMYMODYSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420931035 847550117 /nfs/dbraw/zinc/55/01/17/847550117.db2.gz DAONYNLJOZYVAW-WWMYMODYSA-N 1 1 397.475 3.533 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000187805498 848274624 /nfs/dbraw/zinc/27/46/24/848274624.db2.gz RIJJNMVBJYJSDP-ZDUSSCGKSA-N 1 1 377.466 3.557 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cc(O)ccc3[N+](=O)[O-])C2)s1 ZINC000582849266 848554344 /nfs/dbraw/zinc/55/43/44/848554344.db2.gz TYJPEYSXINYPBL-HNNXBMFYSA-N 1 1 375.494 3.624 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cc(O)ccc3[N+](=O)[O-])C2)s1 ZINC000582849266 848554354 /nfs/dbraw/zinc/55/43/54/848554354.db2.gz TYJPEYSXINYPBL-HNNXBMFYSA-N 1 1 375.494 3.624 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](CC)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000178712079 848671220 /nfs/dbraw/zinc/67/12/20/848671220.db2.gz DPSSLONSHVUKEF-AWEZNQCLSA-N 1 1 387.436 3.721 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000178712079 848671222 /nfs/dbraw/zinc/67/12/22/848671222.db2.gz DPSSLONSHVUKEF-AWEZNQCLSA-N 1 1 387.436 3.721 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000176408155 849109019 /nfs/dbraw/zinc/10/90/19/849109019.db2.gz BBZNKJIGMFKGAY-GFCCVEGCSA-N 1 1 379.810 3.954 20 5 GHBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000052193346 849355289 /nfs/dbraw/zinc/35/52/89/849355289.db2.gz MFIVVDSWVDGLHM-UHFFFAOYSA-N 1 1 396.472 3.989 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@]4(C3)OCc3ccccc34)n2)c1 ZINC000481683842 862009556 /nfs/dbraw/zinc/00/95/56/862009556.db2.gz GMKPKKCKWYMRQK-OAQYLSRUSA-N 1 1 392.415 3.666 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@]4(C3)OCc3ccccc34)n2)c1 ZINC000481683842 862009569 /nfs/dbraw/zinc/00/95/69/862009569.db2.gz GMKPKKCKWYMRQK-OAQYLSRUSA-N 1 1 392.415 3.666 20 5 GHBDMO C[C@H](c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000732075120 862067167 /nfs/dbraw/zinc/06/71/67/862067167.db2.gz ZDUMCGQPXKGUBI-TUJADDFYSA-N 1 1 381.432 3.640 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000486985164 850315224 /nfs/dbraw/zinc/31/52/24/850315224.db2.gz UQBDZOXCFHQUNK-MAUKXSAKSA-N 1 1 394.475 3.802 20 5 GHBDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000487071834 850422679 /nfs/dbraw/zinc/42/26/79/850422679.db2.gz NCJFVKVYZBFPTC-UHFFFAOYSA-N 1 1 399.495 3.501 20 5 GHBDMO CSc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000424999972 850839333 /nfs/dbraw/zinc/83/93/33/850839333.db2.gz HUFQRYCYBAYUOT-PKOBYXMFSA-N 1 1 397.500 3.663 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434448100 851122075 /nfs/dbraw/zinc/12/20/75/851122075.db2.gz ZDMAMECKJQNOEI-MRXNPFEDSA-N 1 1 377.510 3.844 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)o1 ZINC000514082757 851218539 /nfs/dbraw/zinc/21/85/39/851218539.db2.gz IJSLAMSWZAVJSU-KRWDZBQOSA-N 1 1 385.464 3.542 20 5 GHBDMO CO[C@@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000514085506 851222663 /nfs/dbraw/zinc/22/26/63/851222663.db2.gz XJDCIQIUWISIKQ-RDJZCZTQSA-N 1 1 376.844 3.517 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000436132915 851244478 /nfs/dbraw/zinc/24/44/78/851244478.db2.gz UMJXGHUHVDVVMB-SFHVURJKSA-N 1 1 397.475 3.887 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000514190757 851383277 /nfs/dbraw/zinc/38/32/77/851383277.db2.gz UGKFROLOWYGYFD-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1ccc(C[NH2+][C@@H](CCO)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000514243706 851464876 /nfs/dbraw/zinc/46/48/76/851464876.db2.gz WROLQCPXAQENBY-HNNXBMFYSA-N 1 1 395.253 3.579 20 5 GHBDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604492250 862251291 /nfs/dbraw/zinc/25/12/91/862251291.db2.gz FWTFEHNVIVUEPO-LLVKDONJSA-N 1 1 381.354 3.906 20 5 GHBDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604492250 862251302 /nfs/dbraw/zinc/25/13/02/862251302.db2.gz FWTFEHNVIVUEPO-LLVKDONJSA-N 1 1 381.354 3.906 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000488472472 851542759 /nfs/dbraw/zinc/54/27/59/851542759.db2.gz UXRFMNGJXATKHR-KXBFYZLASA-N 1 1 393.443 3.981 20 5 GHBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)C1 ZINC000430118528 851601205 /nfs/dbraw/zinc/60/12/05/851601205.db2.gz CCBNSISYIQCKBH-SPYBWZPUSA-N 1 1 386.521 3.880 20 5 GHBDMO Cc1ccc([C@]2(C)CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000434742416 851610737 /nfs/dbraw/zinc/61/07/37/851610737.db2.gz NQROBNQVVVTVKU-JOCHJYFZSA-N 1 1 395.459 3.865 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000425546316 851613509 /nfs/dbraw/zinc/61/35/09/851613509.db2.gz DPXMMRLLYPVBQT-BEFAXECRSA-N 1 1 387.480 3.511 20 5 GHBDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000473763253 851855994 /nfs/dbraw/zinc/85/59/94/851855994.db2.gz IURIHDFTRPHCDL-VQIMIIECSA-N 1 1 382.464 3.935 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](COc4ccccc4)C3)n2)c1 ZINC000505834105 851982362 /nfs/dbraw/zinc/98/23/62/851982362.db2.gz SQCFJLQJMFEMIX-OAHLLOKOSA-N 1 1 380.404 3.546 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](COc4ccccc4)C3)n2)c1 ZINC000505834105 851982375 /nfs/dbraw/zinc/98/23/75/851982375.db2.gz SQCFJLQJMFEMIX-OAHLLOKOSA-N 1 1 380.404 3.546 20 5 GHBDMO CC(C)(NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000489078987 851985799 /nfs/dbraw/zinc/98/57/99/851985799.db2.gz SCYLXNKBHDMPGL-SFHVURJKSA-N 1 1 396.491 3.794 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000517493021 852027615 /nfs/dbraw/zinc/02/76/15/852027615.db2.gz ZEACLRBXLZZHER-KRWDZBQOSA-N 1 1 391.515 3.922 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000517493028 852027819 /nfs/dbraw/zinc/02/78/19/852027819.db2.gz ZEACLRBXLZZHER-QGZVFWFLSA-N 1 1 391.515 3.922 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000489501574 852390253 /nfs/dbraw/zinc/39/02/53/852390253.db2.gz WXFDTNYZMNTKHU-PXNSSMCTSA-N 1 1 396.491 3.647 20 5 GHBDMO Cc1c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000489524073 852410097 /nfs/dbraw/zinc/41/00/97/852410097.db2.gz JTEUUSIHYIIXNI-CRAIPNDOSA-N 1 1 382.464 3.935 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cnn(C)c2C)cc1OC ZINC000543518335 862373700 /nfs/dbraw/zinc/37/37/00/862373700.db2.gz OGAVWLUCADYQCR-UONOGXRCSA-N 1 1 390.484 3.921 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489771550 852598330 /nfs/dbraw/zinc/59/83/30/852598330.db2.gz HQXCTHRUKVVMKN-CYBMUJFWSA-N 1 1 398.385 3.735 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489859287 852612948 /nfs/dbraw/zinc/61/29/48/852612948.db2.gz LULQCESSGNLMNN-LPHOPBHVSA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000507163417 852613058 /nfs/dbraw/zinc/61/30/58/852613058.db2.gz SYAOLBZKPNIJTE-UHFFFAOYSA-N 1 1 381.476 3.684 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507195661 852666589 /nfs/dbraw/zinc/66/65/89/852666589.db2.gz KELYCWGNDXLLJJ-JKSUJKDBSA-N 1 1 383.448 3.728 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000151050707 852998971 /nfs/dbraw/zinc/99/89/71/852998971.db2.gz CBEHRHMBECEKOA-INIZCTEOSA-N 1 1 385.439 3.779 20 5 GHBDMO COc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000108428921 853069764 /nfs/dbraw/zinc/06/97/64/853069764.db2.gz QNHCDHQLVXNAPT-IBGZPJMESA-N 1 1 399.491 3.614 20 5 GHBDMO COc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000108428921 853069768 /nfs/dbraw/zinc/06/97/68/853069768.db2.gz QNHCDHQLVXNAPT-IBGZPJMESA-N 1 1 399.491 3.614 20 5 GHBDMO COc1ccc(C[NH2+]C[C@@H]2CCCN(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000108428921 853069779 /nfs/dbraw/zinc/06/97/79/853069779.db2.gz QNHCDHQLVXNAPT-IBGZPJMESA-N 1 1 399.491 3.614 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000490548564 853085013 /nfs/dbraw/zinc/08/50/13/853085013.db2.gz XCPCJEGXKHPVQZ-CXAGYDPISA-N 1 1 377.510 3.555 20 5 GHBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481868138 862430808 /nfs/dbraw/zinc/43/08/08/862430808.db2.gz MWXNMOFNIDJPHW-DYESRHJHSA-N 1 1 397.450 3.861 20 5 GHBDMO Cc1cc2ncn(C[C@H](O)C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2cc1C ZINC000490848895 853308725 /nfs/dbraw/zinc/30/87/25/853308725.db2.gz XVTGDSJXXKANAA-HXUWFJFHSA-N 1 1 394.475 3.587 20 5 GHBDMO Cc1cccnc1C(C)(C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000519675315 853362638 /nfs/dbraw/zinc/36/26/38/853362638.db2.gz YOGMXRCKSKWRCB-SFHVURJKSA-N 1 1 379.464 3.689 20 5 GHBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000519675814 853363432 /nfs/dbraw/zinc/36/34/32/853363432.db2.gz YSQSXFQUFKJDHG-CYBMUJFWSA-N 1 1 376.482 3.569 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000439263490 853482240 /nfs/dbraw/zinc/48/22/40/853482240.db2.gz XVBHMGHTBQKUMV-HXUWFJFHSA-N 1 1 376.428 3.906 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000518581953 853513977 /nfs/dbraw/zinc/51/39/77/853513977.db2.gz WXWSXIPPTFVCNC-GOEBONIOSA-N 1 1 377.510 3.652 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000055673684 854051435 /nfs/dbraw/zinc/05/14/35/854051435.db2.gz LFOIDWUSCWAYKA-UHFFFAOYSA-N 1 1 381.432 3.555 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000588014300 854076994 /nfs/dbraw/zinc/07/69/94/854076994.db2.gz WYMVQODXFCJZQR-UHFFFAOYSA-N 1 1 384.436 3.606 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000588985436 854629891 /nfs/dbraw/zinc/62/98/91/854629891.db2.gz YZJBXGTYFCFAQT-NRFANRHFSA-N 1 1 388.439 3.560 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301452913 854808693 /nfs/dbraw/zinc/80/86/93/854808693.db2.gz XYDYGPKQDYCSKN-KZULUSFZSA-N 1 1 399.476 3.800 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3Cc3cccc(F)c3)o2)cc1 ZINC000120904741 854858490 /nfs/dbraw/zinc/85/84/90/854858490.db2.gz OQZDJZMUUBMFOY-SFHVURJKSA-N 1 1 382.395 3.991 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)c1 ZINC000589503481 854911958 /nfs/dbraw/zinc/91/19/58/854911958.db2.gz RWWOKTZDKIJAHF-NRFANRHFSA-N 1 1 398.459 3.643 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000572801998 854993084 /nfs/dbraw/zinc/99/30/84/854993084.db2.gz JDGXXHNWMIBSNK-UHFFFAOYSA-N 1 1 397.479 3.542 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C1CCCCC1 ZINC000131633689 855212370 /nfs/dbraw/zinc/21/23/70/855212370.db2.gz SZQILHWXNMLZOK-IBGZPJMESA-N 1 1 383.448 3.878 20 5 GHBDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590156442 855302598 /nfs/dbraw/zinc/30/25/98/855302598.db2.gz NOUCTFBZRJHRFJ-CYBMUJFWSA-N 1 1 387.402 3.742 20 5 GHBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590156442 855302600 /nfs/dbraw/zinc/30/26/00/855302600.db2.gz NOUCTFBZRJHRFJ-CYBMUJFWSA-N 1 1 387.402 3.742 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273374755 855320145 /nfs/dbraw/zinc/32/01/45/855320145.db2.gz HIZDLJIQXPMPTM-INIZCTEOSA-N 1 1 386.427 3.720 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590441067 855421360 /nfs/dbraw/zinc/42/13/60/855421360.db2.gz AGCUXWFAUKEDTM-NVXWUHKLSA-N 1 1 377.510 3.509 20 5 GHBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447660 855424487 /nfs/dbraw/zinc/42/44/87/855424487.db2.gz ZKXMXNNQRFLLAA-WMLDXEAASA-N 1 1 383.473 3.522 20 5 GHBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000590447672 855424678 /nfs/dbraw/zinc/42/46/78/855424678.db2.gz ZKXMXNNQRFLLAA-YOEHRIQHSA-N 1 1 383.473 3.522 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000159441682 862692396 /nfs/dbraw/zinc/69/23/96/862692396.db2.gz ASQOXKMADGJGCZ-UHFFFAOYSA-N 1 1 398.301 3.742 20 5 GHBDMO Cn1cc([C@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2(C)C)cn1 ZINC000573309854 856070513 /nfs/dbraw/zinc/07/05/13/856070513.db2.gz AHGCDGTZHXSMSH-GOSISDBHSA-N 1 1 381.436 3.609 20 5 GHBDMO Cc1n[nH]cc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000171384313 856113140 /nfs/dbraw/zinc/11/31/40/856113140.db2.gz YVBMRWCXQNIQCH-UHFFFAOYSA-N 1 1 391.225 3.939 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000591845668 856344451 /nfs/dbraw/zinc/34/44/51/856344451.db2.gz ZKJGFZQPLZQYMJ-CQSZACIVSA-N 1 1 376.254 3.817 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000591845668 856344457 /nfs/dbraw/zinc/34/44/57/856344457.db2.gz ZKJGFZQPLZQYMJ-CQSZACIVSA-N 1 1 376.254 3.817 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000272947873 856362998 /nfs/dbraw/zinc/36/29/98/856362998.db2.gz MAADNCMKCBEBAW-UHFFFAOYSA-N 1 1 387.867 3.985 20 5 GHBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C2)C1 ZINC000568915406 856385630 /nfs/dbraw/zinc/38/56/30/856385630.db2.gz JDQOGQUEFZIINV-OAQYLSRUSA-N 1 1 397.500 3.914 20 5 GHBDMO COC(=O)c1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592130313 856669222 /nfs/dbraw/zinc/66/92/22/856669222.db2.gz BGUZRQXBHUTATH-MXVIHJGJSA-N 1 1 398.459 3.687 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)CC1CCCC1)[C@H]1CC[C@H](O)CC1 ZINC000592132478 856675017 /nfs/dbraw/zinc/67/50/17/856675017.db2.gz GXXSTHBQSVQIFR-VAMGGRTRSA-N 1 1 376.497 3.642 20 5 GHBDMO CC[C@@H](C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000544070601 856710329 /nfs/dbraw/zinc/71/03/29/856710329.db2.gz BYSKEBNZTGJELQ-MRXNPFEDSA-N 1 1 376.478 3.669 20 5 GHBDMO CC[C@@H](C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000544070601 856710337 /nfs/dbraw/zinc/71/03/37/856710337.db2.gz BYSKEBNZTGJELQ-MRXNPFEDSA-N 1 1 376.478 3.669 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245406610 856824586 /nfs/dbraw/zinc/82/45/86/856824586.db2.gz XXXFJVYAJGGGSS-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245406610 856824625 /nfs/dbraw/zinc/82/46/25/856824625.db2.gz XXXFJVYAJGGGSS-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000245485213 856900052 /nfs/dbraw/zinc/90/00/52/856900052.db2.gz IZBKBLCIVBTOLT-LSDHHAIUSA-N 1 1 394.435 3.596 20 5 GHBDMO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000245485213 856900055 /nfs/dbraw/zinc/90/00/55/856900055.db2.gz IZBKBLCIVBTOLT-LSDHHAIUSA-N 1 1 394.435 3.596 20 5 GHBDMO COc1cccc([C@H]2[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3C)CC[N@H+]2C2CC2)c1 ZINC000245554274 856954898 /nfs/dbraw/zinc/95/48/98/856954898.db2.gz SBSFGDMUDAHNGA-RTWAWAEBSA-N 1 1 395.459 3.620 20 5 GHBDMO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000173663762 857074804 /nfs/dbraw/zinc/07/48/04/857074804.db2.gz TUTWGYMHYMRFDJ-UHFFFAOYSA-N 1 1 385.386 3.704 20 5 GHBDMO C[C@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174183485 857222046 /nfs/dbraw/zinc/22/20/46/857222046.db2.gz NFAIOPYLQPUXBA-LAUBAEHRSA-N 1 1 396.491 3.962 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](n4cc(C)cn4)C3)o2)c([N+](=O)[O-])c1 ZINC000574127961 857251775 /nfs/dbraw/zinc/25/17/75/857251775.db2.gz WGOLPVUZTZBKLU-HNNXBMFYSA-N 1 1 382.420 3.815 20 5 GHBDMO Cc1c(CC(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000438903746 857569267 /nfs/dbraw/zinc/56/92/67/857569267.db2.gz KLNMXIWGWPTTSH-QFIPXVFZSA-N 1 1 395.503 3.645 20 5 GHBDMO COc1cc(C[NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000592524506 857670302 /nfs/dbraw/zinc/67/03/02/857670302.db2.gz XXIMDOSDPCFRCB-UHFFFAOYSA-N 1 1 394.468 3.556 20 5 GHBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000521330978 857891352 /nfs/dbraw/zinc/89/13/52/857891352.db2.gz OGCVWYYNLQAVRH-KBPBESRZSA-N 1 1 397.903 3.642 20 5 GHBDMO CC(C)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000114775633 858209600 /nfs/dbraw/zinc/20/96/00/858209600.db2.gz CPDCDTGTCNQTLT-MRXNPFEDSA-N 1 1 377.828 3.607 20 5 GHBDMO Cc1[nH+]cn(CCCCc2noc(CCC(=O)c3cccc([N+](=O)[O-])c3)n2)c1C ZINC000594535027 858213735 /nfs/dbraw/zinc/21/37/35/858213735.db2.gz QXBXOVFVVNZINU-UHFFFAOYSA-N 1 1 397.435 3.630 20 5 GHBDMO Cn1c2ccc(Nc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000301852459 858291917 /nfs/dbraw/zinc/29/19/17/858291917.db2.gz AWGXOELNEKUFCA-UHFFFAOYSA-N 1 1 386.433 3.506 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000301859116 858327962 /nfs/dbraw/zinc/32/79/62/858327962.db2.gz CXKGJIQNAYHAAM-HZPDHXFCSA-N 1 1 395.381 3.661 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000595017743 858351744 /nfs/dbraw/zinc/35/17/44/858351744.db2.gz OAZJXGTZWRBGEI-KUHUBIRLSA-N 1 1 399.447 3.572 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000595009144 858365692 /nfs/dbraw/zinc/36/56/92/858365692.db2.gz DXYFWOSELXKXSB-DNVCBOLYSA-N 1 1 383.448 3.618 20 5 GHBDMO COc1ccc(CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC(C)C)cc1OC ZINC000595317582 858469470 /nfs/dbraw/zinc/46/94/70/858469470.db2.gz AXIQQVCPSSNTPT-UHFFFAOYSA-N 1 1 377.441 3.609 20 5 GHBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] ZINC000595392656 858522453 /nfs/dbraw/zinc/52/24/53/858522453.db2.gz OQEWXAMZXGTVPH-SECBINFHSA-N 1 1 376.360 3.746 20 5 GHBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] ZINC000595392656 858522457 /nfs/dbraw/zinc/52/24/57/858522457.db2.gz OQEWXAMZXGTVPH-SECBINFHSA-N 1 1 376.360 3.746 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000115639959 858594644 /nfs/dbraw/zinc/59/46/44/858594644.db2.gz ODXMIMGVJIEULH-CZUORRHYSA-N 1 1 398.891 3.507 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000575201998 858602369 /nfs/dbraw/zinc/60/23/69/858602369.db2.gz KHDSNZPICHFNLA-DFQSSKMNSA-N 1 1 389.496 3.637 20 5 GHBDMO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000595777364 858684355 /nfs/dbraw/zinc/68/43/55/858684355.db2.gz FRXYVQFOARNPCF-JKSUJKDBSA-N 1 1 386.452 3.861 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908448 858714163 /nfs/dbraw/zinc/71/41/63/858714163.db2.gz IJFMSPFXGAJZKO-XMCHAPAWSA-N 1 1 384.436 3.598 20 5 GHBDMO O=c1[nH]ccc(N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000596118874 858783993 /nfs/dbraw/zinc/78/39/93/858783993.db2.gz HJDGQJXRUQOIMQ-ZDUSSCGKSA-N 1 1 380.807 3.564 20 5 GHBDMO O=c1[nH]ccc(N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000596118874 858784000 /nfs/dbraw/zinc/78/40/00/858784000.db2.gz HJDGQJXRUQOIMQ-ZDUSSCGKSA-N 1 1 380.807 3.564 20 5 GHBDMO C[C@@H]1SCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000543202100 858851957 /nfs/dbraw/zinc/85/19/57/858851957.db2.gz ALWDDZFAANBHOJ-RIFZZMRRSA-N 1 1 388.489 3.513 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1C(F)(F)F ZINC000596424901 858893346 /nfs/dbraw/zinc/89/33/46/858893346.db2.gz UYDYXFWRSDXXNZ-INIZCTEOSA-N 1 1 395.381 3.792 20 5 GHBDMO COC(=O)c1c(Cl)c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596570759 858940552 /nfs/dbraw/zinc/94/05/52/858940552.db2.gz NRRBOZYWEFTGNR-ZDUSSCGKSA-N 1 1 381.860 3.569 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(c4ncccn4)CCOCC3)s2)cc1 ZINC000923009343 858942995 /nfs/dbraw/zinc/94/29/95/858942995.db2.gz ILBNOWJAAMPSFJ-UHFFFAOYSA-N 1 1 396.472 3.909 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(-c3cccc([N+](=O)[O-])c3)n2)O1 ZINC000596614485 858969963 /nfs/dbraw/zinc/96/99/63/858969963.db2.gz YZOJMYVQGKVQAL-KDOFPFPSSA-N 1 1 380.404 3.607 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(-c3cccc([N+](=O)[O-])c3)n2)O1 ZINC000596614485 858969969 /nfs/dbraw/zinc/96/99/69/858969969.db2.gz YZOJMYVQGKVQAL-KDOFPFPSSA-N 1 1 380.404 3.607 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000439322409 859055596 /nfs/dbraw/zinc/05/55/96/859055596.db2.gz VPKYSCMPTGPZGG-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000439322409 859055607 /nfs/dbraw/zinc/05/56/07/859055607.db2.gz VPKYSCMPTGPZGG-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000190506855 859079587 /nfs/dbraw/zinc/07/95/87/859079587.db2.gz KCMSBVYFDGVVNL-CQSZACIVSA-N 1 1 396.447 3.934 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC[C@H]21 ZINC000249292240 859291185 /nfs/dbraw/zinc/29/11/85/859291185.db2.gz KZMJXDDNCWCGFF-BXUZGUMPSA-N 1 1 386.374 3.562 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000117618394 859534928 /nfs/dbraw/zinc/53/49/28/859534928.db2.gz LBHYCTJIHQHGSO-QGZVFWFLSA-N 1 1 385.851 3.802 20 5 GHBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000611113226 859610434 /nfs/dbraw/zinc/61/04/34/859610434.db2.gz WKLRVNWHOSNASX-AWEZNQCLSA-N 1 1 385.247 3.773 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765078491 859778269 /nfs/dbraw/zinc/77/82/69/859778269.db2.gz KTOJFGYEZNZDCW-HNNXBMFYSA-N 1 1 388.468 3.654 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765078491 859778274 /nfs/dbraw/zinc/77/82/74/859778274.db2.gz KTOJFGYEZNZDCW-HNNXBMFYSA-N 1 1 388.468 3.654 20 5 GHBDMO C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611517946 859797972 /nfs/dbraw/zinc/79/79/72/859797972.db2.gz BFRMPAUKMFHEGA-NVXWUHKLSA-N 1 1 380.448 3.736 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000593454857 859860975 /nfs/dbraw/zinc/86/09/75/859860975.db2.gz LNWWKIYQLGNGAZ-NRFANRHFSA-N 1 1 378.432 3.628 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)nc2c1 ZINC000602524231 860078379 /nfs/dbraw/zinc/07/83/79/860078379.db2.gz LWNJNNIUZBBKOH-CQSZACIVSA-N 1 1 386.477 3.799 20 5 GHBDMO CSc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000598195619 860138637 /nfs/dbraw/zinc/13/86/37/860138637.db2.gz PRTASTQOWDBOMH-GOSISDBHSA-N 1 1 399.516 3.706 20 5 GHBDMO CSc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000598195620 860138790 /nfs/dbraw/zinc/13/87/90/860138790.db2.gz PRTASTQOWDBOMH-SFHVURJKSA-N 1 1 399.516 3.706 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccncc1 ZINC000602658452 860195574 /nfs/dbraw/zinc/19/55/74/860195574.db2.gz YCTPJFBAGVDKIQ-GOSISDBHSA-N 1 1 395.463 3.618 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+]Cc2cccc3c2CCOC3)cc1Br ZINC000602738835 860246232 /nfs/dbraw/zinc/24/62/32/860246232.db2.gz CAIPUYRRGXVXFK-UHFFFAOYSA-N 1 1 383.267 3.781 20 5 GHBDMO O=[N+]([O-])c1ccccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555230991 860264982 /nfs/dbraw/zinc/26/49/82/860264982.db2.gz JJKFFKYKWGIMLQ-LJQANCHMSA-N 1 1 381.476 3.936 20 5 GHBDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000474536732 860310151 /nfs/dbraw/zinc/31/01/51/860310151.db2.gz UVUIJIJTWMKLKI-QRWLVFNGSA-N 1 1 385.439 3.966 20 5 GHBDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000474536732 860310157 /nfs/dbraw/zinc/31/01/57/860310157.db2.gz UVUIJIJTWMKLKI-QRWLVFNGSA-N 1 1 385.439 3.966 20 5 GHBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1O ZINC000330728785 860528947 /nfs/dbraw/zinc/52/89/47/860528947.db2.gz HEANHSHWJTYQJF-IAGOWNOFSA-N 1 1 375.494 3.947 20 5 GHBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1O ZINC000330728785 860528958 /nfs/dbraw/zinc/52/89/58/860528958.db2.gz HEANHSHWJTYQJF-IAGOWNOFSA-N 1 1 375.494 3.947 20 5 GHBDMO CC(=O)c1ccc(NCCC[NH+]2CCN(c3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000025578953 860665941 /nfs/dbraw/zinc/66/59/41/860665941.db2.gz NAXGUQJYOYOFRT-UHFFFAOYSA-N 1 1 396.491 3.730 20 5 GHBDMO Cn1ccc(C2CC[NH+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)n1 ZINC000896496164 860804572 /nfs/dbraw/zinc/80/45/72/860804572.db2.gz QQBWBIXGUWQVHU-UHFFFAOYSA-N 1 1 383.477 3.831 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000125873036 860806563 /nfs/dbraw/zinc/80/65/63/860806563.db2.gz NACIVPWUPIRRDU-MRXNPFEDSA-N 1 1 385.464 3.803 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000021935513 860989539 /nfs/dbraw/zinc/98/95/39/860989539.db2.gz MNDZUGBPXXREGS-UHFFFAOYSA-N 1 1 375.428 3.706 20 5 GHBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000302051659 861189958 /nfs/dbraw/zinc/18/99/58/861189958.db2.gz OGESZHODQOQCOS-VXGBXAGGSA-N 1 1 383.290 3.817 20 5 GHBDMO COc1cc(CNC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000494431582 881710875 /nfs/dbraw/zinc/71/08/75/881710875.db2.gz QHFJYKIZBCOOSG-QFIPXVFZSA-N 1 1 399.491 3.756 20 5 GHBDMO COc1cc(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000494431582 881710885 /nfs/dbraw/zinc/71/08/85/881710885.db2.gz QHFJYKIZBCOOSG-QFIPXVFZSA-N 1 1 399.491 3.756 20 5 GHBDMO CCC(=O)c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000480111162 864037755 /nfs/dbraw/zinc/03/77/55/864037755.db2.gz HPQXCSGOWKCOEC-LJQANCHMSA-N 1 1 397.475 3.756 20 5 GHBDMO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184329010 864369874 /nfs/dbraw/zinc/36/98/74/864369874.db2.gz KNLLYZVLLNRLIA-SJLPKXTDSA-N 1 1 399.466 3.818 20 5 GHBDMO Cc1cc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c(N)c([N+](=O)[O-])c1 ZINC000072097695 864482383 /nfs/dbraw/zinc/48/23/83/864482383.db2.gz UNIUBZGYTOTLSJ-INIZCTEOSA-N 1 1 396.491 3.790 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CCN2CCO[C@@H](CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000494481552 881779780 /nfs/dbraw/zinc/77/97/80/881779780.db2.gz GYTUIEIQMWRVJB-FPOVZHCZSA-N 1 1 387.480 3.540 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)nc1-c1ccncc1 ZINC000173403389 864714872 /nfs/dbraw/zinc/71/48/72/864714872.db2.gz WSDBTGQPASWBAS-MRXNPFEDSA-N 1 1 395.488 3.925 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)nc1-c1ccncc1 ZINC000173403389 864714878 /nfs/dbraw/zinc/71/48/78/864714878.db2.gz WSDBTGQPASWBAS-MRXNPFEDSA-N 1 1 395.488 3.925 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000554834159 865015621 /nfs/dbraw/zinc/01/56/21/865015621.db2.gz CKKJHZIXMFVTOT-BCDXTJNWSA-N 1 1 395.459 3.953 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000533982546 865700844 /nfs/dbraw/zinc/70/08/44/865700844.db2.gz UKGQMLQEBDSMKZ-OAHLLOKOSA-N 1 1 393.447 3.692 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(C)C ZINC000608838734 865740645 /nfs/dbraw/zinc/74/06/45/865740645.db2.gz DPGIQXAJOXHRGC-INIZCTEOSA-N 1 1 399.495 3.623 20 5 GHBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740881707 866067920 /nfs/dbraw/zinc/06/79/20/866067920.db2.gz JFUIMUGRRTVRFE-MAUKXSAKSA-N 1 1 393.484 3.599 20 5 GHBDMO CCn1cc(C[N@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000475499554 866099601 /nfs/dbraw/zinc/09/96/01/866099601.db2.gz XICADURWXMKJES-UHFFFAOYSA-N 1 1 386.477 3.534 20 5 GHBDMO CCn1cc(C[N@@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000475499554 866099615 /nfs/dbraw/zinc/09/96/15/866099615.db2.gz XICADURWXMKJES-UHFFFAOYSA-N 1 1 386.477 3.534 20 5 GHBDMO Cc1cc(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000523096328 866117590 /nfs/dbraw/zinc/11/75/90/866117590.db2.gz GPYGVXTZIPIOFD-HZPDHXFCSA-N 1 1 383.448 3.765 20 5 GHBDMO C[C@H](C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741017627 866177529 /nfs/dbraw/zinc/17/75/29/866177529.db2.gz CZKZVZSVPBIOIC-RQJABVFESA-N 1 1 388.424 3.510 20 5 GHBDMO C[C@H](C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741017627 866177533 /nfs/dbraw/zinc/17/75/33/866177533.db2.gz CZKZVZSVPBIOIC-RQJABVFESA-N 1 1 388.424 3.510 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000475545092 866231587 /nfs/dbraw/zinc/23/15/87/866231587.db2.gz DEOJFSUKYDHMLB-SJLPKXTDSA-N 1 1 382.464 3.996 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000552802488 866290182 /nfs/dbraw/zinc/29/01/82/866290182.db2.gz VLGIKQLDJORXDU-OAHLLOKOSA-N 1 1 383.448 3.810 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000553060291 866722008 /nfs/dbraw/zinc/72/20/08/866722008.db2.gz GCIGSIIUFBTAAV-NRFANRHFSA-N 1 1 381.476 3.650 20 5 GHBDMO CC(C)c1ncc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000440473254 866925078 /nfs/dbraw/zinc/92/50/78/866925078.db2.gz YVPJJBRYEPARPR-UHFFFAOYSA-N 1 1 381.436 3.838 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000183634234 866943859 /nfs/dbraw/zinc/94/38/59/866943859.db2.gz UEZMHEYBHGOGNV-PMACEKPBSA-N 1 1 389.883 3.718 20 5 GHBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000183637515 866944222 /nfs/dbraw/zinc/94/42/22/866944222.db2.gz ZESOTIJKQSYILP-MJGOQNOKSA-N 1 1 395.463 3.508 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444649927 867004957 /nfs/dbraw/zinc/00/49/57/867004957.db2.gz LTFRNXIZMHQJKO-INIZCTEOSA-N 1 1 385.512 3.948 20 5 GHBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000444690796 867071294 /nfs/dbraw/zinc/07/12/94/867071294.db2.gz VNGVNLOJLREKGK-KXBFYZLASA-N 1 1 384.411 3.962 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCCC[C@H]2Cc2ccccc2)nc1-c1ccncc1 ZINC000742147850 867080659 /nfs/dbraw/zinc/08/06/59/867080659.db2.gz NPGPIYXZPKAUMS-IBGZPJMESA-N 1 1 377.448 3.908 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H]1c1ccccc1 ZINC000534754720 867382787 /nfs/dbraw/zinc/38/27/87/867382787.db2.gz QXTGLGZOAXBTRW-APWZRJJASA-N 1 1 381.457 3.985 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000444895238 867453882 /nfs/dbraw/zinc/45/38/82/867453882.db2.gz BHAHWTLOPFNLBZ-HOCLYGCPSA-N 1 1 384.436 3.560 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534966140 867840841 /nfs/dbraw/zinc/84/08/41/867840841.db2.gz FKMPUFKMYZMXCG-GOEBONIOSA-N 1 1 378.432 3.641 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000479704132 868385278 /nfs/dbraw/zinc/38/52/78/868385278.db2.gz WTCRGBMCBRAOHY-OAHLLOKOSA-N 1 1 393.447 3.958 20 5 GHBDMO COc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000479886094 868680990 /nfs/dbraw/zinc/68/09/90/868680990.db2.gz KZBYMRZFRFAYPW-IBGZPJMESA-N 1 1 397.475 3.648 20 5 GHBDMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000524684449 869421887 /nfs/dbraw/zinc/42/18/87/869421887.db2.gz KSGHNWPLMWOTSK-UZLBHIALSA-N 1 1 388.512 4.000 20 5 GHBDMO COc1ccc([C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2CC2)cc1 ZINC000192599365 882316395 /nfs/dbraw/zinc/31/63/95/882316395.db2.gz LACSXUOTYNUMAI-LJQANCHMSA-N 1 1 380.404 3.894 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000525161729 870094115 /nfs/dbraw/zinc/09/41/15/870094115.db2.gz JUCGRIHHCLOQEK-KRWDZBQOSA-N 1 1 381.476 3.828 20 5 GHBDMO COc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000462801654 870121778 /nfs/dbraw/zinc/12/17/78/870121778.db2.gz HKLTXVWDTYGMPD-UHFFFAOYSA-N 1 1 393.390 3.527 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000540016270 870204675 /nfs/dbraw/zinc/20/46/75/870204675.db2.gz AXTKEUZMCWTQLH-HUUCEWRRSA-N 1 1 399.447 3.560 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000540016270 870204682 /nfs/dbraw/zinc/20/46/82/870204682.db2.gz AXTKEUZMCWTQLH-HUUCEWRRSA-N 1 1 399.447 3.560 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001192389066 870338720 /nfs/dbraw/zinc/33/87/20/870338720.db2.gz GTNFVADZTHMNQO-QGZVFWFLSA-N 1 1 375.469 3.959 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001192389066 870338729 /nfs/dbraw/zinc/33/87/29/870338729.db2.gz GTNFVADZTHMNQO-QGZVFWFLSA-N 1 1 375.469 3.959 20 5 GHBDMO Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736609 870483795 /nfs/dbraw/zinc/48/37/95/870483795.db2.gz RDGQFLISKVQSSJ-HNNXBMFYSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1cc(Br)ccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736609 870483804 /nfs/dbraw/zinc/48/38/04/870483804.db2.gz RDGQFLISKVQSSJ-HNNXBMFYSA-N 1 1 391.269 3.747 20 5 GHBDMO CC[C@H]1C[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[C@H]1c1ccccc1 ZINC000746380282 870586669 /nfs/dbraw/zinc/58/66/69/870586669.db2.gz CMZSLRHJOBPPES-MAUKXSAKSA-N 1 1 393.443 3.664 20 5 GHBDMO CC[C@H]1C[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[C@H]1c1ccccc1 ZINC000746380282 870586678 /nfs/dbraw/zinc/58/66/78/870586678.db2.gz CMZSLRHJOBPPES-MAUKXSAKSA-N 1 1 393.443 3.664 20 5 GHBDMO CC(C)OCC[NH+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000746390374 870597545 /nfs/dbraw/zinc/59/75/45/870597545.db2.gz DMKLIRJSGTWTNN-UHFFFAOYSA-N 1 1 395.809 3.814 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000069475657 870960877 /nfs/dbraw/zinc/96/08/77/870960877.db2.gz FPIVDTILOORXTA-SFHVURJKSA-N 1 1 396.491 3.669 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000463198286 871112824 /nfs/dbraw/zinc/11/28/24/871112824.db2.gz DENSMTACCNRUMX-VGDUNAEUSA-N 1 1 380.460 3.894 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001169038381 871117330 /nfs/dbraw/zinc/11/73/30/871117330.db2.gz YJVQAKITZFHCRB-BHIYHBOVSA-N 1 1 389.496 3.726 20 5 GHBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)C1 ZINC001169024858 871126266 /nfs/dbraw/zinc/12/62/66/871126266.db2.gz RPVNFBPLKXSUKD-NEWSRXKRSA-N 1 1 379.451 3.670 20 5 GHBDMO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001169090654 871200669 /nfs/dbraw/zinc/20/06/69/871200669.db2.gz JEMMCXTYRFIIII-GOSISDBHSA-N 1 1 384.436 3.599 20 5 GHBDMO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1F ZINC000540415566 871221579 /nfs/dbraw/zinc/22/15/79/871221579.db2.gz UMFZEVDATLEEGX-ROUUACIJSA-N 1 1 375.375 3.719 20 5 GHBDMO CC(C)[C@H](CNC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001193742932 871259499 /nfs/dbraw/zinc/25/94/99/871259499.db2.gz GAQXGRQXLCAHNY-NRFANRHFSA-N 1 1 383.492 3.625 20 5 GHBDMO CC(C)[C@H](CNC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001193742932 871259518 /nfs/dbraw/zinc/25/95/18/871259518.db2.gz GAQXGRQXLCAHNY-NRFANRHFSA-N 1 1 383.492 3.625 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001127244677 871319160 /nfs/dbraw/zinc/31/91/60/871319160.db2.gz GRKOPJWNDHHSAY-CVEARBPZSA-N 1 1 385.439 3.777 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001127244677 871319181 /nfs/dbraw/zinc/31/91/81/871319181.db2.gz GRKOPJWNDHHSAY-CVEARBPZSA-N 1 1 385.439 3.777 20 5 GHBDMO CCNc1ccc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000540450877 871333345 /nfs/dbraw/zinc/33/33/45/871333345.db2.gz SMUAWLMABJXWAF-UHFFFAOYSA-N 1 1 382.464 3.916 20 5 GHBDMO Cc1nc(C[NH+]2CCC(CNc3cc(C)c([N+](=O)[O-])cc3F)CC2)oc1C ZINC000461959042 871346735 /nfs/dbraw/zinc/34/67/35/871346735.db2.gz OPJCGSSLIJZDSC-UHFFFAOYSA-N 1 1 376.432 3.971 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccco1 ZINC000181784778 871478397 /nfs/dbraw/zinc/47/83/97/871478397.db2.gz MQCQNRONGYANHY-CYBMUJFWSA-N 1 1 386.330 3.631 20 5 GHBDMO Cc1cccc(C(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC001169496992 871554726 /nfs/dbraw/zinc/55/47/26/871554726.db2.gz MPTNZIHURQZMFV-ZRZAMGCNSA-N 1 1 393.487 3.887 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001169542493 871621547 /nfs/dbraw/zinc/62/15/47/871621547.db2.gz XDRQJDKJAKCZJK-BEFAXECRSA-N 1 1 399.516 3.957 20 5 GHBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccccc1F ZINC001194466929 871706872 /nfs/dbraw/zinc/70/68/72/871706872.db2.gz MAYAYRJSUXRRMJ-UZLBHIALSA-N 1 1 383.423 3.719 20 5 GHBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccccc1F ZINC001194466929 871706880 /nfs/dbraw/zinc/70/68/80/871706880.db2.gz MAYAYRJSUXRRMJ-UZLBHIALSA-N 1 1 383.423 3.719 20 5 GHBDMO COC(=O)c1ccc(OC)c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001194477213 871738938 /nfs/dbraw/zinc/73/89/38/871738938.db2.gz IPNKTXGKKIGLRJ-KRWDZBQOSA-N 1 1 384.432 3.770 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc([N+](=O)[O-])c(C)s3)C2)s1 ZINC000552135278 872079043 /nfs/dbraw/zinc/07/90/43/872079043.db2.gz CHXQJMXVXFILQQ-CQSZACIVSA-N 1 1 393.534 3.929 20 5 GHBDMO CCOc1ccc(C2=CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000182332155 872208815 /nfs/dbraw/zinc/20/88/15/872208815.db2.gz KWYOINGMNXGVHR-LJQANCHMSA-N 1 1 398.459 3.523 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463629786 872218816 /nfs/dbraw/zinc/21/88/16/872218816.db2.gz KMDRKSUGYSOBEF-AWEZNQCLSA-N 1 1 387.402 3.998 20 5 GHBDMO CCOC(=O)CNC(=S)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001195562210 872504221 /nfs/dbraw/zinc/50/42/21/872504221.db2.gz DBMRKJKQLMPFSV-UHFFFAOYSA-N 1 1 396.516 3.612 20 5 GHBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000448035784 872725722 /nfs/dbraw/zinc/72/57/22/872725722.db2.gz SIHZTXQAXLJZBT-RTWAWAEBSA-N 1 1 394.475 3.603 20 5 GHBDMO COc1cc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc([N+](=O)[O-])c1C ZINC000478494813 873097062 /nfs/dbraw/zinc/09/70/62/873097062.db2.gz VDMWEVFVFZARLP-CQSZACIVSA-N 1 1 394.431 3.897 20 5 GHBDMO C[N@H+](CCO)Cc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1Cl ZINC000619867544 873111512 /nfs/dbraw/zinc/11/15/12/873111512.db2.gz UPARCXYFFXAZIR-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO C[N@@H+](CCO)Cc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1Cl ZINC000619867544 873111523 /nfs/dbraw/zinc/11/15/23/873111523.db2.gz UPARCXYFFXAZIR-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1[N+](=O)[O-] ZINC000858010865 882713591 /nfs/dbraw/zinc/71/35/91/882713591.db2.gz NNYVLPCMDBYWNU-SFHVURJKSA-N 1 1 383.448 3.919 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1[N+](=O)[O-] ZINC000858010865 882713597 /nfs/dbraw/zinc/71/35/97/882713597.db2.gz NNYVLPCMDBYWNU-SFHVURJKSA-N 1 1 383.448 3.919 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000541322678 873368149 /nfs/dbraw/zinc/36/81/49/873368149.db2.gz OZZWGVXVQAQBMC-LIRRHRJNSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000541322678 873368167 /nfs/dbraw/zinc/36/81/67/873368167.db2.gz OZZWGVXVQAQBMC-LIRRHRJNSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000541391535 873501501 /nfs/dbraw/zinc/50/15/01/873501501.db2.gz YPKPAXGAEQVSGH-DOTOQJQBSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000541391535 873501513 /nfs/dbraw/zinc/50/15/13/873501513.db2.gz YPKPAXGAEQVSGH-DOTOQJQBSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]3C3OCCO3)o2)c([N+](=O)[O-])c1 ZINC000769299199 873948472 /nfs/dbraw/zinc/94/84/72/873948472.db2.gz VYLIFGVWQLQVQD-KRWDZBQOSA-N 1 1 388.420 3.591 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3C3OCCO3)o2)c([N+](=O)[O-])c1 ZINC000769299199 873948485 /nfs/dbraw/zinc/94/84/85/873948485.db2.gz VYLIFGVWQLQVQD-KRWDZBQOSA-N 1 1 388.420 3.591 20 5 GHBDMO CCC1(CC)C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000464579735 874111448 /nfs/dbraw/zinc/11/14/48/874111448.db2.gz WMBHQLPSLIEENK-UHFFFAOYSA-N 1 1 379.482 3.500 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c([N+](=O)[O-])cc1F ZINC000464692043 874323408 /nfs/dbraw/zinc/32/34/08/874323408.db2.gz RKAURMWRLFKBDO-HNNXBMFYSA-N 1 1 384.411 3.757 20 5 GHBDMO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1ccccc1 ZINC000770040217 874420771 /nfs/dbraw/zinc/42/07/71/874420771.db2.gz HVIBTIUDQIURKG-QGZVFWFLSA-N 1 1 378.856 3.899 20 5 GHBDMO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1ccccc1 ZINC000770040217 874420773 /nfs/dbraw/zinc/42/07/73/874420773.db2.gz HVIBTIUDQIURKG-QGZVFWFLSA-N 1 1 378.856 3.899 20 5 GHBDMO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464781388 874484068 /nfs/dbraw/zinc/48/40/68/874484068.db2.gz YXFAEAMADNHNQB-KRWDZBQOSA-N 1 1 391.512 3.769 20 5 GHBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCN(c2ccccn2)CC1 ZINC000464801379 874512846 /nfs/dbraw/zinc/51/28/46/874512846.db2.gz FYNUUHWNPYULCI-UHFFFAOYSA-N 1 1 384.480 3.607 20 5 GHBDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000464793252 874524392 /nfs/dbraw/zinc/52/43/92/874524392.db2.gz ZYYMXOLXUSGDDU-PZJWPPBQSA-N 1 1 390.455 3.673 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775888407 874560688 /nfs/dbraw/zinc/56/06/88/874560688.db2.gz XQMXVTLCZKADAP-UHFFFAOYSA-N 1 1 396.491 3.787 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccc2c(c1)COC2 ZINC001198870109 874687677 /nfs/dbraw/zinc/68/76/77/874687677.db2.gz XPNHNXYTQWKRDY-UHFFFAOYSA-N 1 1 399.450 3.974 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)s2)cc1 ZINC000449437066 874889688 /nfs/dbraw/zinc/88/96/88/874889688.db2.gz YOXVZCNLKINUAV-SUMDDJOVSA-N 1 1 388.489 3.685 20 5 GHBDMO Nc1ccc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000804461121 882877077 /nfs/dbraw/zinc/87/70/77/882877077.db2.gz ZYLOQXZLMNZSPO-HNNXBMFYSA-N 1 1 380.370 3.882 20 5 GHBDMO C[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[NH+](C)C ZINC000449554491 875039390 /nfs/dbraw/zinc/03/93/90/875039390.db2.gz BPTACLXRRYZBMV-NSHDSACASA-N 1 1 382.258 3.657 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[C@H](O)CC[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000449559729 875048149 /nfs/dbraw/zinc/04/81/49/875048149.db2.gz YXCACJAIMLBKQR-OWCLPIDISA-N 1 1 386.448 3.846 20 5 GHBDMO CC[N@@H+](CCC1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000771284456 875136996 /nfs/dbraw/zinc/13/69/96/875136996.db2.gz RJVOXFJWVKDSDB-UHFFFAOYSA-N 1 1 376.457 3.841 20 5 GHBDMO O=C(C[NH+]1CCC(Cc2cccnc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000771462255 875258402 /nfs/dbraw/zinc/25/84/02/875258402.db2.gz WRSFACXKNSLFQN-UHFFFAOYSA-N 1 1 388.855 3.536 20 5 GHBDMO COc1ccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000465188498 875269919 /nfs/dbraw/zinc/26/99/19/875269919.db2.gz SWNCPHMFDUYFRW-OAHLLOKOSA-N 1 1 399.447 3.576 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCCO[C@@H](c4ccccc4)C3)c2)cc1 ZINC000729851583 882915425 /nfs/dbraw/zinc/91/54/25/882915425.db2.gz RLBRGMMHZYIVPM-OAQYLSRUSA-N 1 1 378.432 3.879 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCCO[C@@H](c4ccccc4)C3)c2)cc1 ZINC000729851583 882915436 /nfs/dbraw/zinc/91/54/36/882915436.db2.gz RLBRGMMHZYIVPM-OAQYLSRUSA-N 1 1 378.432 3.879 20 5 GHBDMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000105464809 875299889 /nfs/dbraw/zinc/29/98/89/875299889.db2.gz ZTGJDUHVLMYGOM-INIZCTEOSA-N 1 1 386.471 3.727 20 5 GHBDMO Cc1c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000465195924 875304932 /nfs/dbraw/zinc/30/49/32/875304932.db2.gz OPCDLCYMYNSYGZ-OAHLLOKOSA-N 1 1 383.448 3.876 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@]3(CO)Cc3ccccc3)co2)cc1 ZINC000475663473 875978342 /nfs/dbraw/zinc/97/83/42/875978342.db2.gz DFPGDTROCZDRQE-JOCHJYFZSA-N 1 1 393.443 3.819 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000529716970 876578780 /nfs/dbraw/zinc/57/87/80/876578780.db2.gz DMAPZYJCPQTVTC-SFHVURJKSA-N 1 1 389.499 3.818 20 5 GHBDMO C[C@@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000477253951 877305125 /nfs/dbraw/zinc/30/51/25/877305125.db2.gz IRDJHKAVWNYIHJ-QVKFZJNVSA-N 1 1 399.466 3.864 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000477291981 877380651 /nfs/dbraw/zinc/38/06/51/877380651.db2.gz IZJSRCJVOOIDKN-UHFFFAOYSA-N 1 1 375.856 3.809 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)o2)c1 ZINC000451347469 877796988 /nfs/dbraw/zinc/79/69/88/877796988.db2.gz UKYJYZWPYCNYOY-IPMKNSEASA-N 1 1 385.464 3.808 20 5 GHBDMO C[C@@]1(CO)CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000530443067 877831593 /nfs/dbraw/zinc/83/15/93/877831593.db2.gz QZNUDJLAKRSCCC-QFIPXVFZSA-N 1 1 392.459 3.794 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000851761833 877902903 /nfs/dbraw/zinc/90/29/03/877902903.db2.gz BLOZTEZPGBVHTN-ZDUSSCGKSA-N 1 1 381.448 3.859 20 5 GHBDMO Cc1noc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c1[N+](=O)[O-] ZINC000851865198 877947898 /nfs/dbraw/zinc/94/78/98/877947898.db2.gz SPBDSPFJPLYLNK-JOCHJYFZSA-N 1 1 393.443 3.727 20 5 GHBDMO Cc1noc(C[N@@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c1[N+](=O)[O-] ZINC000851865198 877947904 /nfs/dbraw/zinc/94/79/04/877947904.db2.gz SPBDSPFJPLYLNK-JOCHJYFZSA-N 1 1 393.443 3.727 20 5 GHBDMO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000851867990 877950164 /nfs/dbraw/zinc/95/01/64/877950164.db2.gz OGZGVXZIHCEARM-CJNGLKHVSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000851867990 877950176 /nfs/dbraw/zinc/95/01/76/877950176.db2.gz OGZGVXZIHCEARM-CJNGLKHVSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000851868090 877950541 /nfs/dbraw/zinc/95/05/41/877950541.db2.gz OGZGVXZIHCEARM-XJKSGUPXSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000851868090 877950552 /nfs/dbraw/zinc/95/05/52/877950552.db2.gz OGZGVXZIHCEARM-XJKSGUPXSA-N 1 1 381.448 3.859 20 5 GHBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852095201 878074354 /nfs/dbraw/zinc/07/43/54/878074354.db2.gz LLBYFPQIOAYKRR-LSDHHAIUSA-N 1 1 394.472 3.503 20 5 GHBDMO Cc1c(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000616209943 878659077 /nfs/dbraw/zinc/65/90/77/878659077.db2.gz LFYHXRVFEVZHMI-IBGZPJMESA-N 1 1 396.491 3.615 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1)CC(C)C ZINC000538033152 878705231 /nfs/dbraw/zinc/70/52/31/878705231.db2.gz ZSLWKGFZJOIWPZ-UHFFFAOYSA-N 1 1 394.491 3.536 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000616306906 878749044 /nfs/dbraw/zinc/74/90/44/878749044.db2.gz YDZRQBDQRDNMBN-UHFFFAOYSA-N 1 1 396.491 3.629 20 5 GHBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000461031840 879059600 /nfs/dbraw/zinc/05/96/00/879059600.db2.gz YHOWKSGHCZPYRU-MRXNPFEDSA-N 1 1 384.480 3.665 20 5 GHBDMO CCOc1ccc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000538233374 879092347 /nfs/dbraw/zinc/09/23/47/879092347.db2.gz SZAAKNRSINNMKH-UHFFFAOYSA-N 1 1 383.448 3.883 20 5 GHBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761516106 879218362 /nfs/dbraw/zinc/21/83/62/879218362.db2.gz YYLOJNVXQPVIGI-GXTWGEPZSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000538401369 879384620 /nfs/dbraw/zinc/38/46/20/879384620.db2.gz XCPPKSTWNVPZTQ-HDICACEKSA-N 1 1 391.512 3.546 20 5 GHBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031338371 879443623 /nfs/dbraw/zinc/44/36/23/879443623.db2.gz IGIQVSHMPQHUGK-UHFFFAOYSA-N 1 1 381.457 3.598 20 5 GHBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031338371 879443631 /nfs/dbraw/zinc/44/36/31/879443631.db2.gz IGIQVSHMPQHUGK-UHFFFAOYSA-N 1 1 381.457 3.598 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000790267425 879579901 /nfs/dbraw/zinc/57/99/01/879579901.db2.gz QLIKZZMXMOHBGH-UHFFFAOYSA-N 1 1 383.876 3.591 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000493937296 879748247 /nfs/dbraw/zinc/74/82/47/879748247.db2.gz OYZHCTKNQVFXJY-MAUKXSAKSA-N 1 1 395.793 3.588 20 5 GHBDMO COc1c(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c(C)nn1C ZINC000461416936 879768497 /nfs/dbraw/zinc/76/84/97/879768497.db2.gz ISUYLEXNGPZXOD-UHFFFAOYSA-N 1 1 395.463 3.703 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461420507 879772990 /nfs/dbraw/zinc/77/29/90/879772990.db2.gz BAGKLZLNXHOEBP-SJORKVTESA-N 1 1 399.878 3.842 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439464 879813265 /nfs/dbraw/zinc/81/32/65/879813265.db2.gz ROBZNZNVKGDLSK-NHCUHLMSSA-N 1 1 393.487 3.508 20 5 GHBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439260 879813800 /nfs/dbraw/zinc/81/38/00/879813800.db2.gz QCNZAMAHYCCNMW-FUHWJXTLSA-N 1 1 399.878 3.842 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790568710 879826379 /nfs/dbraw/zinc/82/63/79/879826379.db2.gz PIKISETXNUZUBR-UHFFFAOYSA-N 1 1 385.867 3.509 20 5 GHBDMO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000248872529 912506045 /nfs/dbraw/zinc/50/60/45/912506045.db2.gz IGIDIJQEQVPYSV-NDXORKPFSA-N 1 1 375.513 3.699 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000248872529 912506055 /nfs/dbraw/zinc/50/60/55/912506055.db2.gz IGIDIJQEQVPYSV-NDXORKPFSA-N 1 1 375.513 3.699 20 5 GHBDMO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000248872529 912506062 /nfs/dbraw/zinc/50/60/62/912506062.db2.gz IGIDIJQEQVPYSV-NDXORKPFSA-N 1 1 375.513 3.699 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCNc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000285938617 912508015 /nfs/dbraw/zinc/50/80/15/912508015.db2.gz DFRIYWVEUQXPTK-LJQANCHMSA-N 1 1 383.427 3.649 20 5 GHBDMO COc1ccccc1COC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000093913046 912518959 /nfs/dbraw/zinc/51/89/59/912518959.db2.gz GICLUVVAJMOUME-UHFFFAOYSA-N 1 1 396.447 3.592 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)n2)o1 ZINC000453252509 880684519 /nfs/dbraw/zinc/68/45/19/880684519.db2.gz GZDPBVVYSFKCQD-FOIQADDNSA-N 1 1 380.404 3.792 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000855735213 880708039 /nfs/dbraw/zinc/70/80/39/880708039.db2.gz OZOLTJCRXZXUME-QGZVFWFLSA-N 1 1 387.867 3.637 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000791981640 880820260 /nfs/dbraw/zinc/82/02/60/880820260.db2.gz WQVSJDKHAAWDLF-TXBBLJDTSA-N 1 1 377.444 3.751 20 5 GHBDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000532031346 881004593 /nfs/dbraw/zinc/00/45/93/881004593.db2.gz IJGBQVIMXCPMTM-NRFANRHFSA-N 1 1 379.460 3.534 20 5 GHBDMO Nc1ccc2n(C(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c3ccccc3cc-2c1=O ZINC001183568340 912637311 /nfs/dbraw/zinc/63/73/11/912637311.db2.gz DXSVDWKAUUGXCW-LJQANCHMSA-N 1 1 397.478 3.851 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(N(C)CCC[N@@H+](C)Cc2ccco2)cc1Cl ZINC000804841622 883397504 /nfs/dbraw/zinc/39/75/04/883397504.db2.gz XFRHMWSIEWAVTN-UHFFFAOYSA-N 1 1 395.843 3.586 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000175268388 883545144 /nfs/dbraw/zinc/54/51/44/883545144.db2.gz WPPGSIZDMOUJDI-BGVYSJOJSA-N 1 1 393.487 3.979 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000859188018 883647163 /nfs/dbraw/zinc/64/71/63/883647163.db2.gz YIIJLQPMUSTMMS-INIZCTEOSA-N 1 1 387.867 3.543 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000609766461 883655307 /nfs/dbraw/zinc/65/53/07/883655307.db2.gz QCMWAGFNJOOUAV-QGZVFWFLSA-N 1 1 399.422 3.739 20 5 GHBDMO Cc1cccc(NCCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[nH+]1 ZINC000609852361 883731174 /nfs/dbraw/zinc/73/11/74/883731174.db2.gz JNOLCFFAZQWIJF-UHFFFAOYSA-N 1 1 391.431 3.884 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000760232026 884029350 /nfs/dbraw/zinc/02/93/50/884029350.db2.gz KRJLZTJZDCNYJU-DLBZAZTESA-N 1 1 390.896 3.980 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000760232026 884029368 /nfs/dbraw/zinc/02/93/68/884029368.db2.gz KRJLZTJZDCNYJU-DLBZAZTESA-N 1 1 390.896 3.980 20 5 GHBDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1OC ZINC000805833021 884105484 /nfs/dbraw/zinc/10/54/84/884105484.db2.gz QCBLKIGFXDFYAL-GFCCVEGCSA-N 1 1 375.381 3.679 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)CC1CC(O)C1 ZINC000191157539 884514717 /nfs/dbraw/zinc/51/47/17/884514717.db2.gz KCPHNGWMSYUDDZ-UHFFFAOYSA-N 1 1 395.253 3.820 20 5 GHBDMO CC[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000914735136 884651085 /nfs/dbraw/zinc/65/10/85/884651085.db2.gz MLUCBPAMNANVAV-RGFVMQALSA-N 1 1 379.460 3.561 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026250732 885364500 /nfs/dbraw/zinc/36/45/00/885364500.db2.gz FNUKJHJOXXFJDU-UHFFFAOYSA-N 1 1 383.857 3.779 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000537561787 885419345 /nfs/dbraw/zinc/41/93/45/885419345.db2.gz OCYWVMBCCVJODF-INIZCTEOSA-N 1 1 393.447 3.768 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000861673522 885751132 /nfs/dbraw/zinc/75/11/32/885751132.db2.gz CJUUTSAMEIWZPQ-OAQYLSRUSA-N 1 1 399.878 3.986 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000762250877 885850773 /nfs/dbraw/zinc/85/07/73/885850773.db2.gz MCFMYYRARNNHJJ-IBKFUHCJSA-N 1 1 385.851 3.823 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000762250877 885850788 /nfs/dbraw/zinc/85/07/88/885850788.db2.gz MCFMYYRARNNHJJ-IBKFUHCJSA-N 1 1 385.851 3.823 20 5 GHBDMO Cc1cc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000170774415 886024099 /nfs/dbraw/zinc/02/40/99/886024099.db2.gz DXMJDRVOLFNAEX-UHFFFAOYSA-N 1 1 381.476 3.887 20 5 GHBDMO CC(C)[C@@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[NH+]1CCCCC1 ZINC000760521705 886102696 /nfs/dbraw/zinc/10/26/96/886102696.db2.gz JWGMQCOFSYSZBV-SFHVURJKSA-N 1 1 387.436 3.804 20 5 GHBDMO COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1OC ZINC000286983739 913013847 /nfs/dbraw/zinc/01/38/47/913013847.db2.gz OWTMMPAVBNQEFT-CYBMUJFWSA-N 1 1 388.420 3.638 20 5 GHBDMO Cc1ccccc1O[C@H](C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000556867703 886384653 /nfs/dbraw/zinc/38/46/53/886384653.db2.gz IKKNPHKXOPYZIP-OXQOHEQNSA-N 1 1 380.448 3.783 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000556870083 886423579 /nfs/dbraw/zinc/42/35/79/886423579.db2.gz CBCUAYAEHALXGS-OAQYLSRUSA-N 1 1 393.491 3.659 20 5 GHBDMO C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000556870342 886423782 /nfs/dbraw/zinc/42/37/82/886423782.db2.gz NAPHJSKDPAGYPI-LAUBAEHRSA-N 1 1 393.491 3.528 20 5 GHBDMO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000556872845 886432334 /nfs/dbraw/zinc/43/23/34/886432334.db2.gz RNXWDYXQKTXTOZ-IPMKNSEASA-N 1 1 386.496 3.991 20 5 GHBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000808799551 886797525 /nfs/dbraw/zinc/79/75/25/886797525.db2.gz XUNJIJNXDVZSCI-HNNXBMFYSA-N 1 1 398.246 3.817 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)c1 ZINC000863315863 887026823 /nfs/dbraw/zinc/02/68/23/887026823.db2.gz HVVBPZNLCDOIEX-UHFFFAOYSA-N 1 1 396.451 3.507 20 5 GHBDMO COCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000487986348 887161767 /nfs/dbraw/zinc/16/17/67/887161767.db2.gz HOMAFSPIUXFVNK-JSGCOSHPSA-N 1 1 388.411 3.842 20 5 GHBDMO CC(C)(C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000763010242 887549828 /nfs/dbraw/zinc/54/98/28/887549828.db2.gz BHUVNACNLVBBBS-KRWDZBQOSA-N 1 1 386.423 3.829 20 5 GHBDMO C[N@H+](CCc1cccc2ccccc21)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626005 887693073 /nfs/dbraw/zinc/69/30/73/887693073.db2.gz DVHVKURCEUCZDJ-UHFFFAOYSA-N 1 1 377.400 3.788 20 5 GHBDMO C[N@@H+](CCc1cccc2ccccc21)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626005 887693081 /nfs/dbraw/zinc/69/30/81/887693081.db2.gz DVHVKURCEUCZDJ-UHFFFAOYSA-N 1 1 377.400 3.788 20 5 GHBDMO CNC(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000809997749 888054103 /nfs/dbraw/zinc/05/41/03/888054103.db2.gz GGFVFIDJALQSHL-HNNXBMFYSA-N 1 1 382.247 3.869 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000139187083 888458203 /nfs/dbraw/zinc/45/82/03/888458203.db2.gz GMSKLAXVEJSDCG-PKOBYXMFSA-N 1 1 397.475 3.624 20 5 GHBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287302490 913247745 /nfs/dbraw/zinc/24/77/45/913247745.db2.gz WKDONWZZBRESDT-FUNVUKJBSA-N 1 1 386.374 3.703 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000866058025 888711117 /nfs/dbraw/zinc/71/11/17/888711117.db2.gz SFSFQHLFHBGLAM-AUUYWEPGSA-N 1 1 391.468 3.537 20 5 GHBDMO CCc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301140435 888934566 /nfs/dbraw/zinc/93/45/66/888934566.db2.gz ATYDDRONVKVFRS-HNNXBMFYSA-N 1 1 378.436 3.721 20 5 GHBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000810843066 888935005 /nfs/dbraw/zinc/93/50/05/888935005.db2.gz VELLTKGAMGXRPY-RTBURBONSA-N 1 1 395.459 3.991 20 5 GHBDMO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866560767 888936956 /nfs/dbraw/zinc/93/69/56/888936956.db2.gz XLHYDSHSYOIIMH-SNVBAGLBSA-N 1 1 383.374 3.579 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000496854243 889118600 /nfs/dbraw/zinc/11/86/00/889118600.db2.gz QFGSIYKZVYZXNM-INIZCTEOSA-N 1 1 383.448 3.713 20 5 GHBDMO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000533031826 889575297 /nfs/dbraw/zinc/57/52/97/889575297.db2.gz CYXBVGMFUKLABS-UHFFFAOYSA-N 1 1 382.420 3.533 20 5 GHBDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000533031826 889575307 /nfs/dbraw/zinc/57/53/07/889575307.db2.gz CYXBVGMFUKLABS-UHFFFAOYSA-N 1 1 382.420 3.533 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454969193 890079221 /nfs/dbraw/zinc/07/92/21/890079221.db2.gz YVYLWAYHOVPWOB-RZQQEMMASA-N 1 1 382.464 3.618 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCN(C)c1ccccc1 ZINC000533281467 890179710 /nfs/dbraw/zinc/17/97/10/890179710.db2.gz ZJSVXSYUXFTWGW-AWEZNQCLSA-N 1 1 390.871 3.643 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCN(C)c1ccccc1 ZINC000533281467 890179717 /nfs/dbraw/zinc/17/97/17/890179717.db2.gz ZJSVXSYUXFTWGW-AWEZNQCLSA-N 1 1 390.871 3.643 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC000533280205 890214646 /nfs/dbraw/zinc/21/46/46/890214646.db2.gz XLIBMLGYNBRIPK-OAQYLSRUSA-N 1 1 397.475 3.677 20 5 GHBDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1C ZINC000533431037 890549037 /nfs/dbraw/zinc/54/90/37/890549037.db2.gz WAZZCWLBBRXOLL-QGZVFWFLSA-N 1 1 397.431 3.716 20 5 GHBDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1C ZINC000533431037 890549044 /nfs/dbraw/zinc/54/90/44/890549044.db2.gz WAZZCWLBBRXOLL-QGZVFWFLSA-N 1 1 397.431 3.716 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCOc3ccc(Cl)cc3)C2)nc1 ZINC000533516129 890735443 /nfs/dbraw/zinc/73/54/43/890735443.db2.gz CVOXCDUNYBUYLF-HNNXBMFYSA-N 1 1 376.844 3.599 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000812763114 890913867 /nfs/dbraw/zinc/91/38/67/890913867.db2.gz PFDDHWXGMRNFDI-HXUWFJFHSA-N 1 1 375.469 3.879 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2)c1C ZINC000812739634 890918888 /nfs/dbraw/zinc/91/88/88/890918888.db2.gz WQGUOBSREUUJHS-UHFFFAOYSA-N 1 1 395.375 3.866 20 5 GHBDMO COC(=O)/C=C\c1ccc(NCCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000917073043 891010605 /nfs/dbraw/zinc/01/06/05/891010605.db2.gz BEAHWLQUSHCLBU-HGPCXVNDSA-N 1 1 375.469 3.848 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847149 891037975 /nfs/dbraw/zinc/03/79/75/891037975.db2.gz BBJCXCKWSDEIOQ-DJJJIMSYSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847149 891037986 /nfs/dbraw/zinc/03/79/86/891037986.db2.gz BBJCXCKWSDEIOQ-DJJJIMSYSA-N 1 1 391.855 3.631 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000872051590 891131833 /nfs/dbraw/zinc/13/18/33/891131833.db2.gz LOJMVXCKWNAZTH-CQSZACIVSA-N 1 1 390.509 3.503 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000872279313 891227061 /nfs/dbraw/zinc/22/70/61/891227061.db2.gz HPTFDGXTKQFCSO-RDJZCZTQSA-N 1 1 375.469 3.654 20 5 GHBDMO O=C(CCc1cccc(F)c1F)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173225 891336081 /nfs/dbraw/zinc/33/60/81/891336081.db2.gz VRQGHKPFANBJCB-KRWDZBQOSA-N 1 1 390.386 3.623 20 5 GHBDMO O=C(CCc1cccc(F)c1F)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173225 891336093 /nfs/dbraw/zinc/33/60/93/891336093.db2.gz VRQGHKPFANBJCB-KRWDZBQOSA-N 1 1 390.386 3.623 20 5 GHBDMO C[N@@H+](CCOc1ccccc1Cl)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026337003 891402026 /nfs/dbraw/zinc/40/20/26/891402026.db2.gz YWEYMCAESIWMBL-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO Cc1ccc([C@H](C)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000191837699 891563585 /nfs/dbraw/zinc/56/35/85/891563585.db2.gz BRITUFCBBNCJLI-GHTZIAJQSA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000191837699 891563595 /nfs/dbraw/zinc/56/35/95/891563595.db2.gz BRITUFCBBNCJLI-GHTZIAJQSA-N 1 1 383.492 3.845 20 5 GHBDMO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCC2 ZINC000152465065 891890142 /nfs/dbraw/zinc/89/01/42/891890142.db2.gz ZJWZLGPNAVULPN-INIZCTEOSA-N 1 1 389.477 3.990 20 5 GHBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCC2 ZINC000152465065 891890148 /nfs/dbraw/zinc/89/01/48/891890148.db2.gz ZJWZLGPNAVULPN-INIZCTEOSA-N 1 1 389.477 3.990 20 5 GHBDMO O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001185088400 913627921 /nfs/dbraw/zinc/62/79/21/913627921.db2.gz FBNOQBDIAVLHCY-GOSISDBHSA-N 1 1 376.460 3.889 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001170720802 892194785 /nfs/dbraw/zinc/19/47/85/892194785.db2.gz VBOSGBJUAPSAJV-QAQDUYKDSA-N 1 1 392.931 3.999 20 5 GHBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000497733686 892320241 /nfs/dbraw/zinc/32/02/41/892320241.db2.gz IEJVKUGOZPARMF-GJZGRUSLSA-N 1 1 391.512 3.510 20 5 GHBDMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000216857117 892428387 /nfs/dbraw/zinc/42/83/87/892428387.db2.gz GKAXPTINYKTFQY-YRYLYKBFSA-N 1 1 395.459 3.522 20 5 GHBDMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000814915697 893290698 /nfs/dbraw/zinc/29/06/98/893290698.db2.gz DZDYBWNUUNPPRM-GOSISDBHSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563390 894001206 /nfs/dbraw/zinc/00/12/06/894001206.db2.gz ALRGKCVNYDJBPB-CQSZACIVSA-N 1 1 377.448 3.702 20 5 GHBDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000459677155 894053146 /nfs/dbraw/zinc/05/31/46/894053146.db2.gz PJCKCDUSDFRTBQ-AWEZNQCLSA-N 1 1 388.411 3.638 20 5 GHBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000459677155 894053158 /nfs/dbraw/zinc/05/31/58/894053158.db2.gz PJCKCDUSDFRTBQ-AWEZNQCLSA-N 1 1 388.411 3.638 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1)CC(C)C ZINC000536922089 894136022 /nfs/dbraw/zinc/13/60/22/894136022.db2.gz WCEHCIBRXUDXSU-UHFFFAOYSA-N 1 1 391.512 3.824 20 5 GHBDMO O=C(N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC001135192332 894175658 /nfs/dbraw/zinc/17/56/58/894175658.db2.gz OMMBOTOEUOAMBJ-INIZCTEOSA-N 1 1 399.394 3.593 20 5 GHBDMO O=C(N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC001135192332 894175665 /nfs/dbraw/zinc/17/56/65/894175665.db2.gz OMMBOTOEUOAMBJ-INIZCTEOSA-N 1 1 399.394 3.593 20 5 GHBDMO COC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878692944 894515740 /nfs/dbraw/zinc/51/57/40/894515740.db2.gz HTSXABIQAMJXPC-GFCCVEGCSA-N 1 1 380.832 3.547 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537212185 894567770 /nfs/dbraw/zinc/56/77/70/894567770.db2.gz OTWYFQRJOXCTOD-BBWFWOEESA-N 1 1 396.491 3.753 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000537302462 894735936 /nfs/dbraw/zinc/73/59/36/894735936.db2.gz YCUHUJUZKLVKGC-GOSISDBHSA-N 1 1 389.496 3.585 20 5 GHBDMO O=C1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1c1cccc(C(F)(F)F)c1 ZINC000537310406 894754262 /nfs/dbraw/zinc/75/42/62/894754262.db2.gz GDHMZHTWCISFIS-LBPRGKRZSA-N 1 1 385.367 3.570 20 5 GHBDMO COc1ccc([C@H]2CC[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)cc1F ZINC000879065064 894817462 /nfs/dbraw/zinc/81/74/62/894817462.db2.gz SCHFZULWBNNJBG-AWEZNQCLSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)cc1F ZINC000879065064 894817470 /nfs/dbraw/zinc/81/74/70/894817470.db2.gz SCHFZULWBNNJBG-AWEZNQCLSA-N 1 1 398.394 3.782 20 5 GHBDMO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000816634311 895012611 /nfs/dbraw/zinc/01/26/11/895012611.db2.gz DQLNCUYQHQHVBV-KRWDZBQOSA-N 1 1 378.425 3.656 20 5 GHBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000816840523 895099812 /nfs/dbraw/zinc/09/98/12/895099812.db2.gz SAFWQOIRFUAGPZ-UHFFFAOYSA-N 1 1 392.390 3.944 20 5 GHBDMO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000564713555 895205432 /nfs/dbraw/zinc/20/54/32/895205432.db2.gz RHKIKYDIBPRVLW-CVEARBPZSA-N 1 1 387.505 3.788 20 5 GHBDMO Cc1cccc(C2(O)CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c1C ZINC000774910543 914006920 /nfs/dbraw/zinc/00/69/20/914006920.db2.gz ZBUASKXLFFQDBP-UHFFFAOYSA-N 1 1 385.420 3.603 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000566041872 896068030 /nfs/dbraw/zinc/06/80/30/896068030.db2.gz DIFWIONSUPZYDX-HZPDHXFCSA-N 1 1 395.488 3.558 20 5 GHBDMO C[C@@H](NC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000819065251 896383065 /nfs/dbraw/zinc/38/30/65/896383065.db2.gz FKEPREAPYJUDGW-DYESRHJHSA-N 1 1 383.492 3.881 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000820009532 897083042 /nfs/dbraw/zinc/08/30/42/897083042.db2.gz LBOFVOIZHVQHTJ-VQIMIIECSA-N 1 1 390.443 3.833 20 5 GHBDMO Cc1c(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000043347933 898484381 /nfs/dbraw/zinc/48/43/81/898484381.db2.gz OAOXBPAKFDTGGQ-KRWDZBQOSA-N 1 1 376.844 3.981 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000569509728 898728706 /nfs/dbraw/zinc/72/87/06/898728706.db2.gz YDJVMYNTUDGTKM-RTBURBONSA-N 1 1 386.448 3.528 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cccc1[N+](=O)[O-] ZINC000155731712 899039087 /nfs/dbraw/zinc/03/90/87/899039087.db2.gz NCESFGQYUZKNHK-UHFFFAOYSA-N 1 1 398.419 3.805 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000331805029 899177972 /nfs/dbraw/zinc/17/79/72/899177972.db2.gz MWICSNNDAWGVIN-HUUCEWRRSA-N 1 1 378.448 3.852 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)o2)c1 ZINC000289828521 914368964 /nfs/dbraw/zinc/36/89/64/914368964.db2.gz UFKZZUXBQDIBDK-CJNGLKHVSA-N 1 1 384.354 3.848 20 5 GHBDMO CC(=O)c1cc(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000571067831 899732902 /nfs/dbraw/zinc/73/29/02/899732902.db2.gz OCQTYXNVQWLMLI-JOCHJYFZSA-N 1 1 396.491 3.588 20 5 GHBDMO Cc1[nH+]ccn1CCCCOC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000778789972 899863345 /nfs/dbraw/zinc/86/33/45/899863345.db2.gz ZPKMGSUNFFDZNK-LBPRGKRZSA-N 1 1 381.816 3.544 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000824971675 899920464 /nfs/dbraw/zinc/92/04/64/899920464.db2.gz WOSIRMXBYMJZDB-ZBFHGGJFSA-N 1 1 383.279 3.981 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000825438600 900162810 /nfs/dbraw/zinc/16/28/10/900162810.db2.gz XSMFBLUDFKLDER-GFCCVEGCSA-N 1 1 393.896 3.795 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000825438600 900162816 /nfs/dbraw/zinc/16/28/16/900162816.db2.gz XSMFBLUDFKLDER-GFCCVEGCSA-N 1 1 393.896 3.795 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136919373 900769928 /nfs/dbraw/zinc/76/99/28/900769928.db2.gz KNAPVVJNJYBNKT-MRXNPFEDSA-N 1 1 387.867 3.543 20 5 GHBDMO COC(=O)c1cncc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000886601254 901183851 /nfs/dbraw/zinc/18/38/51/901183851.db2.gz NMDJOKCQLWZBMY-JTQLQIEISA-N 1 1 383.326 3.646 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)n2)c1 ZINC000886610430 901189489 /nfs/dbraw/zinc/18/94/89/901189489.db2.gz BBWSGRGPLXCFDN-LRDDRELGSA-N 1 1 382.342 3.809 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)n2)c1 ZINC000886610430 901189498 /nfs/dbraw/zinc/18/94/98/901189498.db2.gz BBWSGRGPLXCFDN-LRDDRELGSA-N 1 1 382.342 3.809 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001186492577 914578395 /nfs/dbraw/zinc/57/83/95/914578395.db2.gz UXIXYXLCUXYYBO-SNVBAGLBSA-N 1 1 381.782 3.526 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778981756 902490714 /nfs/dbraw/zinc/49/07/14/902490714.db2.gz QLBVJHALEYLAGW-HUUCEWRRSA-N 1 1 393.484 3.729 20 5 GHBDMO Cc1ccc(CNc2ccc(OCCCN3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000846050026 902637894 /nfs/dbraw/zinc/63/78/94/902637894.db2.gz VZPMUFYLCKEDDF-UHFFFAOYSA-N 1 1 398.507 3.532 20 5 GHBDMO CCCC[C@](CC)(Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2)C(=O)OCC ZINC001171229845 903044459 /nfs/dbraw/zinc/04/44/59/903044459.db2.gz BKRBBUCBZQCLLU-FQEVSTJZSA-N 1 1 377.485 3.897 20 5 GHBDMO CCCC[C@](CC)(Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2)C(=O)OCC ZINC001171229845 903044471 /nfs/dbraw/zinc/04/44/71/903044471.db2.gz BKRBBUCBZQCLLU-FQEVSTJZSA-N 1 1 377.485 3.897 20 5 GHBDMO C[C@@H]1COCC[N@H+]1C1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000846916137 903302720 /nfs/dbraw/zinc/30/27/20/903302720.db2.gz CMXREYUDSXTQSE-GFCCVEGCSA-N 1 1 388.295 3.587 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000601303336 903555678 /nfs/dbraw/zinc/55/56/78/903555678.db2.gz FAXRNULACLFJIO-RTBURBONSA-N 1 1 384.480 3.747 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000578975901 904270989 /nfs/dbraw/zinc/27/09/89/904270989.db2.gz HZOSIUCGABSDJI-KYJSFNMBSA-N 1 1 395.887 3.592 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001171455677 904719062 /nfs/dbraw/zinc/71/90/62/904719062.db2.gz CJZDLNUCIJIXPJ-GOEBONIOSA-N 1 1 375.469 3.690 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000889884052 904819441 /nfs/dbraw/zinc/81/94/41/904819441.db2.gz JCCSAZCEYVGSTP-HKUYNNGSSA-N 1 1 381.476 3.852 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171792577 905050707 /nfs/dbraw/zinc/05/07/07/905050707.db2.gz VJCKBMNIFABSGS-GOSISDBHSA-N 1 1 397.450 3.720 20 5 GHBDMO O=C(C[N@H+]1CCCC[C@@H]1Cc1ccccc1F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171792577 905050727 /nfs/dbraw/zinc/05/07/27/905050727.db2.gz VJCKBMNIFABSGS-GOSISDBHSA-N 1 1 397.450 3.720 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c2c(c1)COCO2 ZINC000173988168 905177194 /nfs/dbraw/zinc/17/71/94/905177194.db2.gz KVYUXHQGADRREP-KRWDZBQOSA-N 1 1 384.432 3.500 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@](F)(c2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000801588441 921171060 /nfs/dbraw/zinc/17/10/60/921171060.db2.gz OIFNCWMPOIEGGJ-IBGZPJMESA-N 1 1 375.375 3.633 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000801601085 921179271 /nfs/dbraw/zinc/17/92/71/921179271.db2.gz ALNLSEJFCJTDHQ-UHFFFAOYSA-N 1 1 378.428 3.864 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cn(CC)nc21 ZINC001172909476 906016641 /nfs/dbraw/zinc/01/66/41/906016641.db2.gz HXBXEUPDSRLHAN-PMACEKPBSA-N 1 1 398.507 3.695 20 5 GHBDMO CC(C)OCc1ncn2c1C[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CCC2 ZINC001172911090 906018287 /nfs/dbraw/zinc/01/82/87/906018287.db2.gz RILOVTXUNPVITI-IBGZPJMESA-N 1 1 398.507 3.870 20 5 GHBDMO O=C1CC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@H]2CCCC[C@H]12 ZINC001173010555 906086952 /nfs/dbraw/zinc/08/69/52/906086952.db2.gz USSRAWANFSAVSR-YJBOKZPZSA-N 1 1 393.434 3.675 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)c1F ZINC001173196602 906281054 /nfs/dbraw/zinc/28/10/54/906281054.db2.gz OEKZSWOAMZZSSU-QRWLVFNGSA-N 1 1 399.466 3.589 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c1F ZINC001173196602 906281069 /nfs/dbraw/zinc/28/10/69/906281069.db2.gz OEKZSWOAMZZSSU-QRWLVFNGSA-N 1 1 399.466 3.589 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001173220953 906297822 /nfs/dbraw/zinc/29/78/22/906297822.db2.gz DLBNGAFENONRIM-JCGIZDLHSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001173220953 906297835 /nfs/dbraw/zinc/29/78/35/906297835.db2.gz DLBNGAFENONRIM-JCGIZDLHSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001173221605 906299940 /nfs/dbraw/zinc/29/99/40/906299940.db2.gz KNEKPGPXBNFRBI-FHLIZLRMSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001173221605 906299951 /nfs/dbraw/zinc/29/99/51/906299951.db2.gz KNEKPGPXBNFRBI-FHLIZLRMSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001173222756 906301305 /nfs/dbraw/zinc/30/13/05/906301305.db2.gz VHLAODHLVGWBQO-OAHLLOKOSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001173223068 906302793 /nfs/dbraw/zinc/30/27/93/906302793.db2.gz XASKWRJHZYDQGS-WBAXXEDZSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001173225968 906309434 /nfs/dbraw/zinc/30/94/34/906309434.db2.gz GTPGSTHFKVMLRY-YPMHNXCESA-N 1 1 384.358 3.807 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001173228766 906312329 /nfs/dbraw/zinc/31/23/29/906312329.db2.gz ZRWCYWOODWHQGG-VOQZNFBZSA-N 1 1 397.475 3.623 20 5 GHBDMO CO[C@@H](CN1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001173230762 906314649 /nfs/dbraw/zinc/31/46/49/906314649.db2.gz FNWIRAKAPMAGRT-AVRDEDQJSA-N 1 1 383.492 3.531 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001173233286 906317768 /nfs/dbraw/zinc/31/77/68/906317768.db2.gz HYVRMEQCYJCDSG-PXAZEXFGSA-N 1 1 378.270 3.578 20 5 GHBDMO COC(=O)[C@@](C)([NH3+])Cc1cn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173231975 906318013 /nfs/dbraw/zinc/31/80/13/906318013.db2.gz BTEGPVVQAIFKLY-NYHFZMIOSA-N 1 1 395.459 3.786 20 5 GHBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191475779 907027600 /nfs/dbraw/zinc/02/76/00/907027600.db2.gz OYFXMYWZTJIEMK-HXUWFJFHSA-N 1 1 381.432 3.939 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001174614416 907137433 /nfs/dbraw/zinc/13/74/33/907137433.db2.gz FRFRHCDACMXJCR-QGZVFWFLSA-N 1 1 393.484 3.551 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001174614416 907137447 /nfs/dbraw/zinc/13/74/47/907137447.db2.gz FRFRHCDACMXJCR-QGZVFWFLSA-N 1 1 393.484 3.551 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001174914806 907285618 /nfs/dbraw/zinc/28/56/18/907285618.db2.gz GHPWFPSSUQHLJP-AUUYWEPGSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001174914806 907285630 /nfs/dbraw/zinc/28/56/30/907285630.db2.gz GHPWFPSSUQHLJP-AUUYWEPGSA-N 1 1 379.432 3.613 20 5 GHBDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccncc1 ZINC000191902497 907308776 /nfs/dbraw/zinc/30/87/76/907308776.db2.gz HLSDAYMEDAYBOF-NRFANRHFSA-N 1 1 395.415 3.818 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000183113259 907329058 /nfs/dbraw/zinc/32/90/58/907329058.db2.gz NTUQMNMNXLVQEB-HFJWLAOPSA-N 1 1 376.478 3.591 20 5 GHBDMO CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001175454710 907581321 /nfs/dbraw/zinc/58/13/21/907581321.db2.gz WHLDRLQGGSVKFK-GOSISDBHSA-N 1 1 397.450 3.891 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2ncccc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC001176896775 908311648 /nfs/dbraw/zinc/31/16/48/908311648.db2.gz JBEOCKMAXPWFPB-GFCCVEGCSA-N 1 1 381.379 3.802 20 5 GHBDMO CO[C@@H]1CC[C@H]1[N@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC001176908807 908315430 /nfs/dbraw/zinc/31/54/30/908315430.db2.gz IDTCYXUFLCLCJP-RLLQIKCJSA-N 1 1 383.448 3.692 20 5 GHBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC001176908807 908315450 /nfs/dbraw/zinc/31/54/50/908315450.db2.gz IDTCYXUFLCLCJP-RLLQIKCJSA-N 1 1 383.448 3.692 20 5 GHBDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])ccc1S(C)(=O)=O ZINC001176984477 908346261 /nfs/dbraw/zinc/34/62/61/908346261.db2.gz KFYQEFPIPDBMBN-LLVKDONJSA-N 1 1 398.868 3.511 20 5 GHBDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001177592349 908654859 /nfs/dbraw/zinc/65/48/59/908654859.db2.gz WCCRLIGMSPSHIL-QRWLVFNGSA-N 1 1 385.439 3.966 20 5 GHBDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001177592349 908654863 /nfs/dbraw/zinc/65/48/63/908654863.db2.gz WCCRLIGMSPSHIL-QRWLVFNGSA-N 1 1 385.439 3.966 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000795217828 909358435 /nfs/dbraw/zinc/35/84/35/909358435.db2.gz DLXBNPQITFDWPA-UHFFFAOYSA-N 1 1 392.799 3.620 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1C(C)C ZINC000780435584 909367062 /nfs/dbraw/zinc/36/70/62/909367062.db2.gz ZGKPUEGMTVZLEH-UHFFFAOYSA-N 1 1 376.482 3.847 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1C ZINC001179898399 909782301 /nfs/dbraw/zinc/78/23/01/909782301.db2.gz MTXFVISRSPQCNF-WDEREUQCSA-N 1 1 376.320 3.723 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000246122840 910113384 /nfs/dbraw/zinc/11/33/84/910113384.db2.gz DMXLEQVUAWPZGJ-HUUCEWRRSA-N 1 1 379.888 3.975 20 5 GHBDMO Cc1ccc(C2=CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000795395354 910195329 /nfs/dbraw/zinc/19/53/29/910195329.db2.gz WOBQYNHEUXZNOV-UHFFFAOYSA-N 1 1 377.444 3.582 20 5 GHBDMO Cc1ccc(C2=CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000795395354 910195332 /nfs/dbraw/zinc/19/53/32/910195332.db2.gz WOBQYNHEUXZNOV-UHFFFAOYSA-N 1 1 377.444 3.582 20 5 GHBDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795397975 910197321 /nfs/dbraw/zinc/19/73/21/910197321.db2.gz SSFJRYWYEQYMTL-YJYMSZOUSA-N 1 1 393.846 3.631 20 5 GHBDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795397975 910197325 /nfs/dbraw/zinc/19/73/25/910197325.db2.gz SSFJRYWYEQYMTL-YJYMSZOUSA-N 1 1 393.846 3.631 20 5 GHBDMO COc1cccc(C(=O)O[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000774187683 911473054 /nfs/dbraw/zinc/47/30/54/911473054.db2.gz GJZFWWXQBNDVAO-WBVHZDCISA-N 1 1 384.432 3.671 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000718015181 911802135 /nfs/dbraw/zinc/80/21/35/911802135.db2.gz FIOAHDVFVOSIRR-LJQANCHMSA-N 1 1 387.867 3.889 20 5 GHBDMO CCOc1cc(NC[C@H]2C[N@H+](Cc3ccccc3C)CCO2)ccc1[N+](=O)[O-] ZINC001187360755 915193408 /nfs/dbraw/zinc/19/34/08/915193408.db2.gz AMAVNZVCVVGSLA-IBGZPJMESA-N 1 1 385.464 3.615 20 5 GHBDMO CCOc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3C)CCO2)ccc1[N+](=O)[O-] ZINC001187360755 915193411 /nfs/dbraw/zinc/19/34/11/915193411.db2.gz AMAVNZVCVVGSLA-IBGZPJMESA-N 1 1 385.464 3.615 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292793461 915847539 /nfs/dbraw/zinc/84/75/39/915847539.db2.gz ZPGLQSJWHXOAEP-HNNXBMFYSA-N 1 1 397.353 3.774 20 5 GHBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000293362928 916150955 /nfs/dbraw/zinc/15/09/55/916150955.db2.gz CWFBGTBLJZSBLK-OLZOCXBDSA-N 1 1 399.413 3.996 20 5 GHBDMO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000293787482 916383948 /nfs/dbraw/zinc/38/39/48/916383948.db2.gz CIAQIEJOOOGCGW-CQSZACIVSA-N 1 1 394.518 3.580 20 5 GHBDMO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000293787482 916383966 /nfs/dbraw/zinc/38/39/66/916383966.db2.gz CIAQIEJOOOGCGW-CQSZACIVSA-N 1 1 394.518 3.580 20 5 GHBDMO Cc1ccccc1OCCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001190417566 917323988 /nfs/dbraw/zinc/32/39/88/917323988.db2.gz LKOKFMIZWAMLRE-UHFFFAOYSA-N 1 1 385.464 3.941 20 5 GHBDMO COc1ccc(CC[C@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])cc1OC ZINC001190778915 917559754 /nfs/dbraw/zinc/55/97/54/917559754.db2.gz BRXUMDQELQTQJB-GOSISDBHSA-N 1 1 385.464 3.994 20 5 GHBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000363062299 917706348 /nfs/dbraw/zinc/70/63/48/917706348.db2.gz FWPMKJXVAMJCDK-AWEZNQCLSA-N 1 1 379.888 3.719 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001191289224 917898750 /nfs/dbraw/zinc/89/87/50/917898750.db2.gz KAPQWCFTIIEUSW-QGZVFWFLSA-N 1 1 395.500 3.975 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001191519641 918040478 /nfs/dbraw/zinc/04/04/78/918040478.db2.gz ADGASMHHUTWMLZ-OFNKIYASSA-N 1 1 395.503 3.960 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)o1 ZINC001192116019 918420954 /nfs/dbraw/zinc/42/09/54/918420954.db2.gz KSOHRRIBRZCMID-QUCCMNQESA-N 1 1 394.431 3.733 20 5 GHBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000296824807 918803883 /nfs/dbraw/zinc/80/38/83/918803883.db2.gz GDPIULHUKUVHKO-CYBMUJFWSA-N 1 1 399.441 3.928 20 5 GHBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114198065 919386073 /nfs/dbraw/zinc/38/60/73/919386073.db2.gz MAWZKDLGEHCCSG-UHFFFAOYSA-N 1 1 397.523 3.925 20 5 GHBDMO CC(C)c1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000119473759 919634210 /nfs/dbraw/zinc/63/42/10/919634210.db2.gz ZNPYRONITCMGJL-CQSZACIVSA-N 1 1 391.493 3.559 20 5 GHBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000800343888 919935507 /nfs/dbraw/zinc/93/55/07/919935507.db2.gz HHRALPNIXOBTDY-ZOCZFRKYSA-N 1 1 383.448 3.774 20 5 GHBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000800343888 919935518 /nfs/dbraw/zinc/93/55/18/919935518.db2.gz HHRALPNIXOBTDY-ZOCZFRKYSA-N 1 1 383.448 3.774 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1ncc(Br)c1C1CC1 ZINC000800865492 920543525 /nfs/dbraw/zinc/54/35/25/920543525.db2.gz DQUBZBOEWJCPLL-UHFFFAOYSA-N 1 1 379.258 3.563 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1ncc(Br)c1C1CC1 ZINC000800865492 920543536 /nfs/dbraw/zinc/54/35/36/920543536.db2.gz DQUBZBOEWJCPLL-UHFFFAOYSA-N 1 1 379.258 3.563 20 5 GHBDMO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000748529873 923705138 /nfs/dbraw/zinc/70/51/38/923705138.db2.gz CBFGUVFCRDIERN-OAHLLOKOSA-N 1 1 383.452 3.578 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000827913436 926263405 /nfs/dbraw/zinc/26/34/05/926263405.db2.gz YKCHSHOCYRMOOB-SJLPKXTDSA-N 1 1 399.894 3.955 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000827913436 926263416 /nfs/dbraw/zinc/26/34/16/926263416.db2.gz YKCHSHOCYRMOOB-SJLPKXTDSA-N 1 1 399.894 3.955 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000725791196 926438941 /nfs/dbraw/zinc/43/89/41/926438941.db2.gz KKKLEOWBQWWKKS-UHFFFAOYSA-N 1 1 384.436 3.648 20 5 GHBDMO COc1c(C)cc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1C ZINC000725812589 926453564 /nfs/dbraw/zinc/45/35/64/926453564.db2.gz SWCMQGPZAKENNX-UHFFFAOYSA-N 1 1 391.855 3.944 20 5 GHBDMO COc1c(C)cc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1C ZINC000725812589 926453571 /nfs/dbraw/zinc/45/35/71/926453571.db2.gz SWCMQGPZAKENNX-UHFFFAOYSA-N 1 1 391.855 3.944 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000726599712 926753748 /nfs/dbraw/zinc/75/37/48/926753748.db2.gz KCXXVKOKUPWIBT-GDBMZVCRSA-N 1 1 393.484 3.871 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000726599712 926753761 /nfs/dbraw/zinc/75/37/61/926753761.db2.gz KCXXVKOKUPWIBT-GDBMZVCRSA-N 1 1 393.484 3.871 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000726601059 926755900 /nfs/dbraw/zinc/75/59/00/926755900.db2.gz PQJKUDHOKOSOFT-CRAIPNDOSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000726602657 926757724 /nfs/dbraw/zinc/75/77/24/926757724.db2.gz YIEBBZRUFQWXHB-HOTGVXAUSA-N 1 1 393.484 3.741 20 5 GHBDMO Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000749668808 927229705 /nfs/dbraw/zinc/22/97/05/927229705.db2.gz ACOBLRIPWYZEIZ-OAQYLSRUSA-N 1 1 382.460 3.840 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC(c4cccc(F)c4)CC3)n2)cc1 ZINC000751950891 928504656 /nfs/dbraw/zinc/50/46/56/928504656.db2.gz SQNYFELIVMDHFN-UHFFFAOYSA-N 1 1 381.411 3.830 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000544117278 928827020 /nfs/dbraw/zinc/82/70/20/928827020.db2.gz NJFYALRWPTXTDY-QRWLVFNGSA-N 1 1 395.459 3.576 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000544119131 928828376 /nfs/dbraw/zinc/82/83/76/928828376.db2.gz SALBQZXARIEXAP-VQIMIIECSA-N 1 1 388.439 3.743 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544187711 928908682 /nfs/dbraw/zinc/90/86/82/928908682.db2.gz GDIUICMEYSNFDR-DOTOQJQBSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544187711 928908687 /nfs/dbraw/zinc/90/86/87/928908687.db2.gz GDIUICMEYSNFDR-DOTOQJQBSA-N 1 1 383.448 3.728 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467546189 929186969 /nfs/dbraw/zinc/18/69/69/929186969.db2.gz LQWPOKUTQCFPAP-GOSISDBHSA-N 1 1 384.432 3.874 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000544625927 929360754 /nfs/dbraw/zinc/36/07/54/929360754.db2.gz KHIIOXAEVVTBRU-GOEBONIOSA-N 1 1 386.427 3.909 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753668343 929471191 /nfs/dbraw/zinc/47/11/91/929471191.db2.gz HNMUKNLMPYTNEE-QYBDOPJKSA-N 1 1 378.494 3.976 20 5 GHBDMO C[C@H]([NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467837608 929488062 /nfs/dbraw/zinc/48/80/62/929488062.db2.gz DMJCALWIZDFXML-AVRDEDQJSA-N 1 1 382.508 3.624 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757111317 929650835 /nfs/dbraw/zinc/65/08/35/929650835.db2.gz VOMBLYQYTMGZGZ-CVEARBPZSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1ccc([C@H]2[C@@H](COC(=O)c3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000757902041 929847927 /nfs/dbraw/zinc/84/79/27/929847927.db2.gz NGBVUPJIBYROTA-UZLBHIALSA-N 1 1 384.432 3.843 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000470174086 930430693 /nfs/dbraw/zinc/43/06/93/930430693.db2.gz QBPKGORXQXEPML-FXFXYLOPSA-N 1 1 377.448 3.920 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NCc3ccccc3C[N@@H+]3CCC[C@H]3CO)sc2c1 ZINC000781672914 930934375 /nfs/dbraw/zinc/93/43/75/930934375.db2.gz SDQVNUHSRKIJHJ-KRWDZBQOSA-N 1 1 398.488 3.773 20 5 GHBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782484120 931238676 /nfs/dbraw/zinc/23/86/76/931238676.db2.gz CKVRBQKPPKONBL-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782484120 931238684 /nfs/dbraw/zinc/23/86/84/931238684.db2.gz CKVRBQKPPKONBL-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cn1 ZINC000783020825 931387433 /nfs/dbraw/zinc/38/74/33/931387433.db2.gz SDJFZSCAXYWCFA-UHFFFAOYSA-N 1 1 388.855 3.770 20 5 GHBDMO C/C(=C/C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895278 931707588 /nfs/dbraw/zinc/70/75/88/931707588.db2.gz YPGORIPUYVBILZ-SZGZABIGSA-N 1 1 385.489 3.623 20 5 GHBDMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1Cc1ccccc1 ZINC000557930752 931759448 /nfs/dbraw/zinc/75/94/48/931759448.db2.gz JQBZWNMPSTUGTF-KXBFYZLASA-N 1 1 390.443 3.536 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000784351034 931865613 /nfs/dbraw/zinc/86/56/13/931865613.db2.gz AGOUTNZVHMGYLW-UHFFFAOYSA-N 1 1 379.420 3.537 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CNc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000784639013 931966275 /nfs/dbraw/zinc/96/62/75/931966275.db2.gz PURDZAHWPLUWAW-UHFFFAOYSA-N 1 1 399.491 3.735 20 5 GHBDMO COc1ccc([C@H]2[C@H](COC(=O)Cc3cccc([N+](=O)[O-])c3C)CC[N@H+]2C)cc1 ZINC000797043566 932157531 /nfs/dbraw/zinc/15/75/31/932157531.db2.gz LBSLJPPUPSMJSQ-AVRDEDQJSA-N 1 1 398.459 3.691 20 5 GHBDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000797517148 932316583 /nfs/dbraw/zinc/31/65/83/932316583.db2.gz CICVSORNFZXYGP-KRWDZBQOSA-N 1 1 377.485 3.512 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000797519138 932317598 /nfs/dbraw/zinc/31/75/98/932317598.db2.gz WQMMGTBEYVELOQ-UHFFFAOYSA-N 1 1 393.484 3.871 20 5 GHBDMO COCCO[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000559074148 932414548 /nfs/dbraw/zinc/41/45/48/932414548.db2.gz VTDVYSYMPDSYOL-KRWDZBQOSA-N 1 1 376.478 3.951 20 5 GHBDMO COc1ccccc1C1(F)CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000797824053 932418295 /nfs/dbraw/zinc/41/82/95/932418295.db2.gz XFWUIZTUCAKZNF-UHFFFAOYSA-N 1 1 399.426 3.575 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000798073420 932518593 /nfs/dbraw/zinc/51/85/93/932518593.db2.gz DKCDNXDXLYAVBZ-KRWDZBQOSA-N 1 1 381.423 3.600 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000798527347 932692247 /nfs/dbraw/zinc/69/22/47/932692247.db2.gz BQUSVOBHMSSCIE-NRFANRHFSA-N 1 1 385.439 3.684 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000799359619 932968567 /nfs/dbraw/zinc/96/85/67/932968567.db2.gz XSQJJKJACPOVLB-AWEZNQCLSA-N 1 1 381.448 3.861 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000799359619 932968572 /nfs/dbraw/zinc/96/85/72/932968572.db2.gz XSQJJKJACPOVLB-AWEZNQCLSA-N 1 1 381.448 3.861 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799361827 932970666 /nfs/dbraw/zinc/97/06/66/932970666.db2.gz IDRBFPQKNBZHFB-HNNXBMFYSA-N 1 1 393.484 3.730 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000560531363 933315873 /nfs/dbraw/zinc/31/58/73/933315873.db2.gz XPOAJYPLGIUOKL-HXUWFJFHSA-N 1 1 393.422 3.870 20 5 GHBDMO CSc1ccc(C(=O)N2CCC[C@H]2CNc2cccc(C)[nH+]2)cc1[N+](=O)[O-] ZINC001116095967 933332030 /nfs/dbraw/zinc/33/20/30/933332030.db2.gz TXGUHFFJHDDURV-HNNXBMFYSA-N 1 1 386.477 3.737 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@](C)(CO)C2)cc1OC ZINC001116530076 933613828 /nfs/dbraw/zinc/61/38/28/933613828.db2.gz CUKBVBUSCJUXCI-QRWLVFNGSA-N 1 1 380.485 3.623 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@](C)(CO)C2)cc1OC ZINC001116530076 933613837 /nfs/dbraw/zinc/61/38/37/933613837.db2.gz CUKBVBUSCJUXCI-QRWLVFNGSA-N 1 1 380.485 3.623 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000929862971 933676426 /nfs/dbraw/zinc/67/64/26/933676426.db2.gz FIHVWQWMLHBPQM-IEBWSBKVSA-N 1 1 378.856 3.555 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000929862971 933676434 /nfs/dbraw/zinc/67/64/34/933676434.db2.gz FIHVWQWMLHBPQM-IEBWSBKVSA-N 1 1 378.856 3.555 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000561315219 934045730 /nfs/dbraw/zinc/04/57/30/934045730.db2.gz NOZRUTQPSGTANT-SFHVURJKSA-N 1 1 390.365 3.667 20 5 GHBDMO COCC[N@@H+](CCc1ccccc1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954273 934363046 /nfs/dbraw/zinc/36/30/46/934363046.db2.gz IRXFEGXOARSFJT-UHFFFAOYSA-N 1 1 380.448 3.607 20 5 GHBDMO C[N@@H+]1CCc2[nH]c3ccc(C(=O)NCc4cc([N+](=O)[O-])ccc4Cl)cc3c2C1 ZINC000829970206 935886665 /nfs/dbraw/zinc/88/66/65/935886665.db2.gz SPMSABNYNQSKKX-UHFFFAOYSA-N 1 1 398.850 3.647 20 5 GHBDMO C[N@H+]1CCc2[nH]c3ccc(C(=O)NCc4cc([N+](=O)[O-])ccc4Cl)cc3c2C1 ZINC000829970206 935886669 /nfs/dbraw/zinc/88/66/69/935886669.db2.gz SPMSABNYNQSKKX-UHFFFAOYSA-N 1 1 398.850 3.647 20 5 GHBDMO CCOc1cc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001625998849 1014669023 /nfs/dbraw/zinc/66/90/23/1014669023.db2.gz KKFKJZUEEPALEQ-CQSZACIVSA-N 1 1 378.473 3.626 20 5 GHBDMO CC[N@@H+](Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1)C1CC1 ZINC000546489251 1016642027 /nfs/dbraw/zinc/64/20/27/1016642027.db2.gz URHZDTDWDXWQEN-UHFFFAOYSA-N 1 1 379.420 3.615 20 5 GHBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc4ccc5cccnc5c43)C[C@H]1[N@H+]2C ZINC001227763687 1032545820 /nfs/dbraw/zinc/54/58/20/1032545820.db2.gz GRWJIIVNYKQCJN-HUUJSLGLSA-N 1 1 376.456 3.934 20 5 GHBDMO COC(=O)c1cccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1[N+](=O)[O-] ZINC001227895708 1032675528 /nfs/dbraw/zinc/67/55/28/1032675528.db2.gz CLBYDPOYSMPMFF-BHIYHBOVSA-N 1 1 396.443 3.671 20 5 GHBDMO CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000562573566 1018336930 /nfs/dbraw/zinc/33/69/30/1018336930.db2.gz ADCIUQRNHVMKLW-GOSISDBHSA-N 1 1 375.856 3.775 20 5 GHBDMO CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000562573567 1018337196 /nfs/dbraw/zinc/33/71/96/1018337196.db2.gz ADCIUQRNHVMKLW-SFHVURJKSA-N 1 1 375.856 3.775 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)OCc3ccc([N+](=O)[O-])cc3Cl)CC2)[nH+]c1 ZINC000778093462 1018352981 /nfs/dbraw/zinc/35/29/81/1018352981.db2.gz XCWOFKUMCPEUCY-UHFFFAOYSA-N 1 1 389.839 3.911 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000936041483 1019077464 /nfs/dbraw/zinc/07/74/64/1019077464.db2.gz BYZYQPYLHOCHRI-UHFFFAOYSA-N 1 1 386.477 3.550 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC001204412353 1032838809 /nfs/dbraw/zinc/83/88/09/1032838809.db2.gz ALMKMMYSNHXYEG-UHFFFAOYSA-N 1 1 398.463 3.563 20 5 GHBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2N1 ZINC000195665889 1020971218 /nfs/dbraw/zinc/97/12/18/1020971218.db2.gz CXWHLDRWEAWPAR-KRWDZBQOSA-N 1 1 380.448 3.556 20 5 GHBDMO Cc1nc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(Br)cc1[N+](=O)[O-] ZINC001228623203 1033012211 /nfs/dbraw/zinc/01/22/11/1033012211.db2.gz MPLPYRMWHMEMDP-ITGUQSILSA-N 1 1 384.274 3.843 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC001228803019 1033105345 /nfs/dbraw/zinc/10/53/45/1033105345.db2.gz RLTUMXYAEAHHIA-HNAYVOBHSA-N 1 1 394.427 3.991 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000755426132 1023244123 /nfs/dbraw/zinc/24/41/23/1023244123.db2.gz VPGFKAJSPMIKPK-JIHAQRTOSA-N 1 1 379.460 3.731 20 5 GHBDMO COc1ccc(CC(=O)O[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000755874751 1023414421 /nfs/dbraw/zinc/41/44/21/1023414421.db2.gz SRFHWVUTHMKFEP-APWZRJJASA-N 1 1 398.459 3.600 20 5 GHBDMO COc1cc(C(=O)O[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000755877751 1023416432 /nfs/dbraw/zinc/41/64/32/1023416432.db2.gz ZEEIDCXYNLKDGS-QAPCUYQASA-N 1 1 384.432 3.671 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)cc1 ZINC000831593549 1024669477 /nfs/dbraw/zinc/66/94/77/1024669477.db2.gz LRSZMFNGKQJQMD-YJBOKZPZSA-N 1 1 391.265 3.880 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839136962 1025631458 /nfs/dbraw/zinc/63/14/58/1025631458.db2.gz VLRQDZHXZYVHKB-NVXWUHKLSA-N 1 1 393.484 3.580 20 5 GHBDMO CCC[C@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC001162854872 1025940906 /nfs/dbraw/zinc/94/09/06/1025940906.db2.gz DIVMGNAVRXAGIZ-AWEZNQCLSA-N 1 1 375.391 3.551 20 5 GHBDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC001162867062 1025946096 /nfs/dbraw/zinc/94/60/96/1025946096.db2.gz FVQMEQQLVRUZHA-AUUYWEPGSA-N 1 1 387.459 3.569 20 5 GHBDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC001162867062 1025946103 /nfs/dbraw/zinc/94/61/03/1025946103.db2.gz FVQMEQQLVRUZHA-AUUYWEPGSA-N 1 1 387.459 3.569 20 5 GHBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](O)c1cccc(Br)c1 ZINC000839639023 1026145494 /nfs/dbraw/zinc/14/54/94/1026145494.db2.gz IFZLAYSWHTUBHD-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](O)c1cccc(Br)c1 ZINC000839639023 1026145498 /nfs/dbraw/zinc/14/54/98/1026145498.db2.gz IFZLAYSWHTUBHD-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO CCc1nn(C)c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164342825 1026491896 /nfs/dbraw/zinc/49/18/96/1026491896.db2.gz UIWIJROPTHHNND-FGTMMUONSA-N 1 1 383.496 3.603 20 5 GHBDMO O=[N+]([O-])c1cccc2cnc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC001164492589 1026529260 /nfs/dbraw/zinc/52/92/60/1026529260.db2.gz NFJFRFCYPXNWLJ-GBESFXJTSA-N 1 1 389.459 3.861 20 5 GHBDMO COc1cc(C)nc(N(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001165182457 1026651333 /nfs/dbraw/zinc/65/13/33/1026651333.db2.gz NLARADYGEQIZTQ-QAPCUYQASA-N 1 1 384.480 3.654 20 5 GHBDMO CC[N@@H+](CCCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F)C1CCCCC1 ZINC001165302132 1026696279 /nfs/dbraw/zinc/69/62/79/1026696279.db2.gz DHPDAKOVHOLDKH-UHFFFAOYSA-N 1 1 383.439 3.956 20 5 GHBDMO COc1cc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])cc1O ZINC001461228701 1069451945 /nfs/dbraw/zinc/45/19/45/1069451945.db2.gz DWLLITWGRBJELT-BFUOFWGJSA-N 1 1 391.493 3.543 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000842833714 1029619112 /nfs/dbraw/zinc/61/91/12/1029619112.db2.gz NIMUMJLFRHNAPQ-CQSZACIVSA-N 1 1 389.477 3.996 20 5 GHBDMO COc1cnc(-c2noc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])n2)c(C)c1 ZINC001216553271 1029684183 /nfs/dbraw/zinc/68/41/83/1029684183.db2.gz WRTWUMIDJJJLNM-UHFFFAOYSA-N 1 1 392.375 3.518 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1-c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001216966254 1030038135 /nfs/dbraw/zinc/03/81/35/1030038135.db2.gz BDZSDZIIPGOVOI-UHFFFAOYSA-N 1 1 398.394 3.592 20 5 GHBDMO CN1C(=O)[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc21 ZINC001461629470 1069647686 /nfs/dbraw/zinc/64/76/86/1069647686.db2.gz IFJZPPMMQYWAJZ-SFHVURJKSA-N 1 1 377.400 3.532 20 5 GHBDMO C[C@]12CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001150125655 1030410705 /nfs/dbraw/zinc/41/07/05/1030410705.db2.gz ANCGENQZEYVDPF-SZPZYZBQSA-N 1 1 379.460 3.579 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001150138693 1030422292 /nfs/dbraw/zinc/42/22/92/1030422292.db2.gz BMNAUOWAUYZICS-BEFAXECRSA-N 1 1 399.516 3.957 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223485867 1030599404 /nfs/dbraw/zinc/59/94/04/1030599404.db2.gz HPROFWFRLDASLJ-YWZLYKJASA-N 1 1 385.420 3.930 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4C[NH2+]CCC[C@H]4F)ccc3c21 ZINC001217973886 1030699463 /nfs/dbraw/zinc/69/94/63/1030699463.db2.gz CSXVGFYZHLPBRB-QAPCUYQASA-N 1 1 383.375 3.867 20 5 GHBDMO COC(=O)C1=C[C@H](O[C@H](C)c2ccc([N+](=O)[O-])cc2)C[N@@H+](Cc2ccccc2)C1 ZINC001224023028 1030853209 /nfs/dbraw/zinc/85/32/09/1030853209.db2.gz TWRSJEWFLMQDJT-IERDGZPVSA-N 1 1 396.443 3.656 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1Cl ZINC001225789724 1031606366 /nfs/dbraw/zinc/60/63/66/1031606366.db2.gz WEVMKZOAINLLPT-MRXNPFEDSA-N 1 1 376.840 3.918 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225888485 1031676724 /nfs/dbraw/zinc/67/67/24/1031676724.db2.gz BXIAVFKIHGERIS-UGSOOPFHSA-N 1 1 389.383 3.932 20 5 GHBDMO Cc1ccc(N2CCC(Oc3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)[nH+]c1 ZINC001225892557 1031678592 /nfs/dbraw/zinc/67/85/92/1031678592.db2.gz DHQKIANZGHBJBW-UHFFFAOYSA-N 1 1 382.342 3.760 20 5 GHBDMO O=[N+]([O-])c1ccc(F)c(F)c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001225963460 1031719006 /nfs/dbraw/zinc/71/90/06/1031719006.db2.gz RYQDNXFRTWYXIH-OAHLLOKOSA-N 1 1 378.375 3.543 20 5 GHBDMO C[NH+](C)CCC(C)(C)NC(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001220386303 1031921625 /nfs/dbraw/zinc/92/16/25/1031921625.db2.gz OLZQWWPEOKOVLN-QFIPXVFZSA-N 1 1 377.532 3.709 20 5 GHBDMO C[N@H+]1C[C@@H]2CC[C@H](NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC001461831314 1069777635 /nfs/dbraw/zinc/77/76/35/1069777635.db2.gz PNLBIKDOXJDOID-VUCTXSBTSA-N 1 1 375.856 3.938 20 5 GHBDMO CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)CC1 ZINC001229246498 1033366386 /nfs/dbraw/zinc/36/63/86/1033366386.db2.gz IAOCZCCNEQOCOK-LBPRGKRZSA-N 1 1 385.258 3.813 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC001206376162 1033819264 /nfs/dbraw/zinc/81/92/64/1033819264.db2.gz BCXSFEUMNFCFFB-SSZFMOIBSA-N 1 1 393.443 3.616 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000430199224 1033870512 /nfs/dbraw/zinc/87/05/12/1033870512.db2.gz BMNVAHOUEGMHEC-HXUWFJFHSA-N 1 1 381.432 3.551 20 5 GHBDMO C[C@@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001230216227 1033947494 /nfs/dbraw/zinc/94/74/94/1033947494.db2.gz CGRYBKDUMJSFDU-LZLYRXPVSA-N 1 1 382.464 3.618 20 5 GHBDMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001158223102 1033969048 /nfs/dbraw/zinc/96/90/48/1033969048.db2.gz DJPQNIVELGUQBP-GOSISDBHSA-N 1 1 382.464 3.787 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001158223102 1033969051 /nfs/dbraw/zinc/96/90/51/1033969051.db2.gz DJPQNIVELGUQBP-GOSISDBHSA-N 1 1 382.464 3.787 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)nc1 ZINC001461883084 1069831201 /nfs/dbraw/zinc/83/12/01/1069831201.db2.gz WNAFLYHRBUIXFH-KRWDZBQOSA-N 1 1 382.464 3.766 20 5 GHBDMO C[N@H+]1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C2(CCCC2)C1 ZINC001158409731 1034065343 /nfs/dbraw/zinc/06/53/43/1034065343.db2.gz AWKLVPWDLFUVBW-UHFFFAOYSA-N 1 1 387.871 3.770 20 5 GHBDMO CC[NH+]1CCC(N(C)C(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)CC1 ZINC001160537674 1034997799 /nfs/dbraw/zinc/99/77/99/1034997799.db2.gz OVOFSVZYVOSTOM-DEOSSOPVSA-N 1 1 389.543 3.806 20 5 GHBDMO CN(C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21)[C@H]1CCCC[C@H]1[NH3+] ZINC001161063812 1035130434 /nfs/dbraw/zinc/13/04/34/1035130434.db2.gz NFRPNTTUIGSHGL-VJBWXMMDSA-N 1 1 375.516 3.591 20 5 GHBDMO COc1cc(O[C@@H]2CC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)ccn1 ZINC001232227040 1035171937 /nfs/dbraw/zinc/17/19/37/1035171937.db2.gz FCUQMFUHSBYXJC-HXUWFJFHSA-N 1 1 386.455 3.840 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001248635544 1036015517 /nfs/dbraw/zinc/01/55/17/1036015517.db2.gz GPBCDMGGMHYLOK-QZTJIDSGSA-N 1 1 396.491 3.819 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[nH]nc2-c1nc2cccc(F)c2n1C1CC[NH2+]CC1 ZINC001247030389 1037849317 /nfs/dbraw/zinc/84/93/17/1037849317.db2.gz OBTRVZNLMBPVCE-UHFFFAOYSA-N 1 1 380.383 3.551 20 5 GHBDMO CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001233829371 1039650403 /nfs/dbraw/zinc/65/04/03/1039650403.db2.gz IOTJOUFSKPCXEH-HXUWFJFHSA-N 1 1 396.443 3.849 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001233979745 1039740779 /nfs/dbraw/zinc/74/07/79/1039740779.db2.gz CANUKGBBEWDRRW-HTAPYJJXSA-N 1 1 384.476 3.804 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC001254474028 1040259571 /nfs/dbraw/zinc/25/95/71/1040259571.db2.gz NDUHOLPYCVNJNY-WMZOPIPTSA-N 1 1 382.464 3.538 20 5 GHBDMO CN1CCC[C@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)CC1 ZINC001254514598 1040291199 /nfs/dbraw/zinc/29/11/99/1040291199.db2.gz MWUQTGVHHVFNCR-SFHVURJKSA-N 1 1 390.531 3.582 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCSCc1ccc(CN(C)C)o1 ZINC001254532324 1040303390 /nfs/dbraw/zinc/30/33/90/1040303390.db2.gz MVEFEROVYSEZFF-HNNXBMFYSA-N 1 1 377.510 3.703 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001254552246 1040321311 /nfs/dbraw/zinc/32/13/11/1040321311.db2.gz JKKXXOQDNSINGO-IERDGZPVSA-N 1 1 389.496 3.859 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001254553063 1040321335 /nfs/dbraw/zinc/32/13/35/1040321335.db2.gz RJIJUUHPTZOFHB-ZTFGCOKTSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001254553063 1040321343 /nfs/dbraw/zinc/32/13/43/1040321343.db2.gz RJIJUUHPTZOFHB-ZTFGCOKTSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001254552595 1040321774 /nfs/dbraw/zinc/32/17/74/1040321774.db2.gz NFVLTZJISSSEGX-FRQCXROJSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254553863 1040322977 /nfs/dbraw/zinc/32/29/77/1040322977.db2.gz ZSLARZSFRHUIKB-DOTOQJQBSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001254559969 1040331807 /nfs/dbraw/zinc/33/18/07/1040331807.db2.gz DFNFAXOKVQBKBW-QRWLVFNGSA-N 1 1 385.489 3.716 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001254560257 1040332910 /nfs/dbraw/zinc/33/29/10/1040332910.db2.gz QQMMYCBQHFALNS-OAHLLOKOSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001254560257 1040332929 /nfs/dbraw/zinc/33/29/29/1040332929.db2.gz QQMMYCBQHFALNS-OAHLLOKOSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001254560775 1040334210 /nfs/dbraw/zinc/33/42/10/1040334210.db2.gz YDPFTQJNKMNLFR-CVEARBPZSA-N 1 1 377.485 3.763 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3CCC[C@@]3(COCc3cccnc3)C1)C2 ZINC001254594830 1040367773 /nfs/dbraw/zinc/36/77/73/1040367773.db2.gz GEJNCDWGJNJTGB-MZYLBHOOSA-N 1 1 393.487 3.776 20 5 GHBDMO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@@H]4Cc5ccc([N+](=O)[O-])cc5C4)C3)CC2=O)s1 ZINC001254595105 1040368332 /nfs/dbraw/zinc/36/83/32/1040368332.db2.gz JBGSMQYZQFEUCO-NQIIRXRSSA-N 1 1 397.500 3.561 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCc4c(C)cccc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256093052 1041522302 /nfs/dbraw/zinc/52/23/02/1041522302.db2.gz FHQXKMMNDWZNFB-UHFFFAOYSA-N 1 1 381.476 3.939 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001292110059 1043596609 /nfs/dbraw/zinc/59/66/09/1043596609.db2.gz QYBNSEUKGQECBA-RHSMWYFYSA-N 1 1 387.867 3.742 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001299788577 1046037177 /nfs/dbraw/zinc/03/71/77/1046037177.db2.gz VVXHBJMPTTXOEP-UHFFFAOYSA-N 1 1 399.878 3.668 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001299788577 1046037187 /nfs/dbraw/zinc/03/71/87/1046037187.db2.gz VVXHBJMPTTXOEP-UHFFFAOYSA-N 1 1 399.878 3.668 20 5 GHBDMO C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)c1ccccc1[N+](=O)[O-] ZINC000597473059 1047469036 /nfs/dbraw/zinc/46/90/36/1047469036.db2.gz BNMVNILVZBFCNT-ZDUSSCGKSA-N 1 1 378.432 3.555 20 5 GHBDMO C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)c1ccccc1[N+](=O)[O-] ZINC000597473059 1047469040 /nfs/dbraw/zinc/46/90/40/1047469040.db2.gz BNMVNILVZBFCNT-ZDUSSCGKSA-N 1 1 378.432 3.555 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c21 ZINC000612451316 1047543891 /nfs/dbraw/zinc/54/38/91/1047543891.db2.gz TWVURJJIEKHWHM-OKZBNKHCSA-N 1 1 389.459 3.861 20 5 GHBDMO COC(=O)/C=C/c1ccc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001306931766 1048965476 /nfs/dbraw/zinc/96/54/76/1048965476.db2.gz AKLCONIMERLNJB-LCIOVWFGSA-N 1 1 389.496 3.951 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001307514061 1049356163 /nfs/dbraw/zinc/35/61/63/1049356163.db2.gz PODNJLSCOBBLEG-AWEZNQCLSA-N 1 1 399.278 3.950 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001307515163 1049356339 /nfs/dbraw/zinc/35/63/39/1049356339.db2.gz IGXPZVYPFVVEIY-XXBNENTESA-N 1 1 396.487 3.705 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccc(Cl)cc1 ZINC001307781375 1049587158 /nfs/dbraw/zinc/58/71/58/1049587158.db2.gz XQVLPPVOOULJPI-QGZVFWFLSA-N 1 1 387.867 3.744 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccc(Cl)cc1 ZINC001307781375 1049587171 /nfs/dbraw/zinc/58/71/71/1049587171.db2.gz XQVLPPVOOULJPI-QGZVFWFLSA-N 1 1 387.867 3.744 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCN[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001307840358 1049626413 /nfs/dbraw/zinc/62/64/13/1049626413.db2.gz BGMVULKLWKGCNJ-BFQNTYOBSA-N 1 1 377.382 3.905 20 5 GHBDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001307853294 1049635497 /nfs/dbraw/zinc/63/54/97/1049635497.db2.gz LSAUVXOLDHFNDR-WIYYLYMNSA-N 1 1 388.439 3.571 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC001308091046 1049838710 /nfs/dbraw/zinc/83/87/10/1049838710.db2.gz WORJPLHLIHXAAE-HNNXBMFYSA-N 1 1 388.493 3.643 20 5 GHBDMO Cc1noc(C[N@@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1[N+](=O)[O-] ZINC001327555589 1050215630 /nfs/dbraw/zinc/21/56/30/1050215630.db2.gz ROVZMGXOQYYUBB-UHFFFAOYSA-N 1 1 394.472 3.504 20 5 GHBDMO Cc1noc(C[N@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1[N+](=O)[O-] ZINC001327555589 1050215638 /nfs/dbraw/zinc/21/56/38/1050215638.db2.gz ROVZMGXOQYYUBB-UHFFFAOYSA-N 1 1 394.472 3.504 20 5 GHBDMO C[N@H+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC001330622996 1051044382 /nfs/dbraw/zinc/04/43/82/1051044382.db2.gz XGCBCQUIBITNGP-KRWDZBQOSA-N 1 1 383.839 3.685 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC001310508379 1051403587 /nfs/dbraw/zinc/40/35/87/1051403587.db2.gz FKWPOVKCOJMZOE-NWDGAFQWSA-N 1 1 399.289 3.599 20 5 GHBDMO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[N@H+]1Cc1ccccc1 ZINC001310594967 1051475253 /nfs/dbraw/zinc/47/52/53/1051475253.db2.gz OHQXOTZBZHOHDB-KRWDZBQOSA-N 1 1 398.463 3.732 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001334278056 1051926515 /nfs/dbraw/zinc/92/65/15/1051926515.db2.gz DORITOURCLDZHS-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001313156967 1052971726 /nfs/dbraw/zinc/97/17/26/1052971726.db2.gz SZGPLRPBUTVEGG-HXUWFJFHSA-N 1 1 396.491 3.757 20 5 GHBDMO CCN(CC(C)C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCn1cc[nH+]c1C ZINC001313627875 1053148535 /nfs/dbraw/zinc/14/85/35/1053148535.db2.gz NKMXFQCGHQTPGR-UHFFFAOYSA-N 1 1 397.483 3.541 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC001318984049 1054977787 /nfs/dbraw/zinc/97/77/87/1054977787.db2.gz MZLUNYIZFYDQNG-UHFFFAOYSA-N 1 1 380.448 3.752 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cc(OCC(F)F)ccn2)cc1[N+](=O)[O-] ZINC001320733168 1055943671 /nfs/dbraw/zinc/94/36/71/1055943671.db2.gz IJGYHQGGKCWSPH-LBPRGKRZSA-N 1 1 381.379 3.883 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001321525491 1056302798 /nfs/dbraw/zinc/30/27/98/1056302798.db2.gz VAWVJDOPOXEKSX-HXUWFJFHSA-N 1 1 375.469 3.600 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC001322277039 1056602135 /nfs/dbraw/zinc/60/21/35/1056602135.db2.gz ICDPSLFDSAWCKD-UHFFFAOYSA-N 1 1 384.436 3.519 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@@H+]2CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000848474100 1057110901 /nfs/dbraw/zinc/11/09/01/1057110901.db2.gz XQVKYOYCXHCTFC-SFTDATJTSA-N 1 1 395.459 3.714 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000848474100 1057110905 /nfs/dbraw/zinc/11/09/05/1057110905.db2.gz XQVKYOYCXHCTFC-SFTDATJTSA-N 1 1 395.459 3.714 20 5 GHBDMO C[N@H+](Cc1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC001442075509 1058913035 /nfs/dbraw/zinc/91/30/35/1058913035.db2.gz BSPPVUKPYKVZSY-UHFFFAOYSA-N 1 1 397.475 3.995 20 5 GHBDMO C[N@@H+](Cc1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC001442075509 1058913040 /nfs/dbraw/zinc/91/30/40/1058913040.db2.gz BSPPVUKPYKVZSY-UHFFFAOYSA-N 1 1 397.475 3.995 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C1CCCC1 ZINC001443752501 1059192841 /nfs/dbraw/zinc/19/28/41/1059192841.db2.gz BHWLXSABRYTFDA-UHFFFAOYSA-N 1 1 378.231 3.645 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001545813263 1062015514 /nfs/dbraw/zinc/01/55/14/1062015514.db2.gz CMLOVPUACDTTFE-WMLDXEAASA-N 1 1 395.793 3.702 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001545813263 1062015560 /nfs/dbraw/zinc/01/55/60/1062015560.db2.gz CMLOVPUACDTTFE-WMLDXEAASA-N 1 1 395.793 3.702 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC001347770664 1062645940 /nfs/dbraw/zinc/64/59/40/1062645940.db2.gz AINUINJQUKNFMB-UHFFFAOYSA-N 1 1 398.463 3.652 20 5 GHBDMO CON1CCC([N@@H+](C)Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001347943619 1062795143 /nfs/dbraw/zinc/79/51/43/1062795143.db2.gz YWBHRETWFXQKMX-UHFFFAOYSA-N 1 1 379.844 3.966 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001458208902 1063659165 /nfs/dbraw/zinc/65/91/65/1063659165.db2.gz XSVBONSDRZJSDS-GOSISDBHSA-N 1 1 397.475 3.648 20 5 GHBDMO CNC(=O)c1ccc(Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)c([N+](=O)[O-])c1 ZINC001458287996 1063723116 /nfs/dbraw/zinc/72/31/16/1063723116.db2.gz XHDXDXPUXKLCNI-AWEZNQCLSA-N 1 1 383.452 3.780 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])C1CC1 ZINC001458337910 1063753433 /nfs/dbraw/zinc/75/34/33/1063753433.db2.gz AXJDGKLMVGVMDM-FQEVSTJZSA-N 1 1 376.460 3.887 20 5 GHBDMO COC(=O)Cc1ccc(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c([N+](=O)[O-])c1 ZINC001458341373 1063754311 /nfs/dbraw/zinc/75/43/11/1063754311.db2.gz NOJSNPCLGJJGSU-FQEVSTJZSA-N 1 1 399.491 3.879 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001458562374 1063892422 /nfs/dbraw/zinc/89/24/22/1063892422.db2.gz GPZLJMIMXFZUGF-SFHVURJKSA-N 1 1 379.464 3.962 20 5 GHBDMO CN(C)c1ccc(COC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001458845219 1063947236 /nfs/dbraw/zinc/94/72/36/1063947236.db2.gz VLNDJMWZUPIRKG-IBGZPJMESA-N 1 1 397.475 3.616 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001438200128 1064005443 /nfs/dbraw/zinc/00/54/43/1064005443.db2.gz WRXCSBOIESUSGY-CZAAIQMYSA-N 1 1 379.460 3.604 20 5 GHBDMO CSc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001438339168 1064037702 /nfs/dbraw/zinc/03/77/02/1064037702.db2.gz XLAZCIFKNMGGJF-MAUKXSAKSA-N 1 1 399.516 3.815 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001459315595 1064059282 /nfs/dbraw/zinc/05/92/82/1064059282.db2.gz QDHROOXVEONDKU-XEGHISHKSA-N 1 1 379.460 3.635 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001438983115 1064153413 /nfs/dbraw/zinc/15/34/13/1064153413.db2.gz XBSRJESHYLYVEO-IBGZPJMESA-N 1 1 385.439 3.861 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001465074015 1065374164 /nfs/dbraw/zinc/37/41/64/1065374164.db2.gz FSJZFGMRNOXGQT-CYBMUJFWSA-N 1 1 399.438 3.827 20 5 GHBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001466596692 1066204035 /nfs/dbraw/zinc/20/40/35/1066204035.db2.gz FJVWEKRTVHYNGD-OAQYLSRUSA-N 1 1 393.487 3.556 20 5 GHBDMO CCOc1cc(NC(=O)NCc2cccc(C[N@@H+](C)CC)c2)ccc1[N+](=O)[O-] ZINC001466993284 1066433170 /nfs/dbraw/zinc/43/31/70/1066433170.db2.gz KJWPLOAEUWRCIC-UHFFFAOYSA-N 1 1 386.452 3.767 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC001467502586 1067331332 /nfs/dbraw/zinc/33/13/32/1067331332.db2.gz OSISPKODQNGSJV-LJQANCHMSA-N 1 1 381.476 3.608 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001467888130 1067515762 /nfs/dbraw/zinc/51/57/62/1067515762.db2.gz GAYGSZSIQZHFTH-OAQYLSRUSA-N 1 1 399.466 3.790 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001467888130 1067515768 /nfs/dbraw/zinc/51/57/68/1067515768.db2.gz GAYGSZSIQZHFTH-OAQYLSRUSA-N 1 1 399.466 3.790 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC001460481349 1068975012 /nfs/dbraw/zinc/97/50/12/1068975012.db2.gz JGMWHEAYJCQMQR-INIZCTEOSA-N 1 1 375.469 3.977 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC001460777420 1069171015 /nfs/dbraw/zinc/17/10/15/1069171015.db2.gz HGRUKRFCOJALEO-UHFFFAOYSA-N 1 1 383.782 3.990 20 5 GHBDMO C[N@H+]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472028127 1073310023 /nfs/dbraw/zinc/31/00/23/1073310023.db2.gz ABCAWHKIYKVDGE-SFHVURJKSA-N 1 1 385.489 3.816 20 5 GHBDMO COc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC001472646015 1073592688 /nfs/dbraw/zinc/59/26/88/1073592688.db2.gz KWIJVJBFXBHENJ-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001479158860 1079129053 /nfs/dbraw/zinc/12/90/53/1079129053.db2.gz SXULSBRTGBAYFH-VQIMIIECSA-N 1 1 382.464 3.538 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001472676890 1073612160 /nfs/dbraw/zinc/61/21/60/1073612160.db2.gz XUNRTRZKQUFULI-TWGQIWQCSA-N 1 1 395.459 3.525 20 5 GHBDMO Cc1cc(N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)ccc1[N+](=O)[O-] ZINC001472862320 1073700837 /nfs/dbraw/zinc/70/08/37/1073700837.db2.gz LNAHBAOWEAERRG-XMSQKQJNSA-N 1 1 381.476 3.773 20 5 GHBDMO Cc1ccc(C[C@H]2CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473133725 1073797520 /nfs/dbraw/zinc/79/75/20/1073797520.db2.gz BITVWDJHSFSBOI-LJQANCHMSA-N 1 1 393.487 3.747 20 5 GHBDMO CC1CCC([N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccc3c(c2)OCO3)CC1 ZINC001473146240 1073807084 /nfs/dbraw/zinc/80/70/84/1073807084.db2.gz WKBNIJSQQBANRX-UHFFFAOYSA-N 1 1 386.452 3.601 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)Cc1cccs1 ZINC001473213634 1073864748 /nfs/dbraw/zinc/86/47/48/1073864748.db2.gz MLRSHCJINZNPKA-CYBMUJFWSA-N 1 1 377.466 3.557 20 5 GHBDMO COc1ccc(C[C@H]2CC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC001473218131 1073867641 /nfs/dbraw/zinc/86/76/41/1073867641.db2.gz GPOHPOGVQDTWCH-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO Cc1ccc(N(C)[C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC001473303283 1073912647 /nfs/dbraw/zinc/91/26/47/1073912647.db2.gz LCUSMDZFDYMVNO-SFHVURJKSA-N 1 1 379.464 3.880 20 5 GHBDMO Cc1ccc(N(C)[C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC001473303283 1073912648 /nfs/dbraw/zinc/91/26/48/1073912648.db2.gz LCUSMDZFDYMVNO-SFHVURJKSA-N 1 1 379.464 3.880 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCc4ccccc4Cl)CC3)nc2c1 ZINC001473365118 1073936593 /nfs/dbraw/zinc/93/65/93/1073936593.db2.gz ZYQPRTPTSYRYMI-UHFFFAOYSA-N 1 1 399.882 3.879 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001473620963 1074051682 /nfs/dbraw/zinc/05/16/82/1074051682.db2.gz DDIHGGGHDRTURW-INIZCTEOSA-N 1 1 375.469 3.834 20 5 GHBDMO CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473726528 1074111022 /nfs/dbraw/zinc/11/10/22/1074111022.db2.gz HCBCTLQIGVADDL-GOSISDBHSA-N 1 1 397.450 3.891 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c(Br)c1 ZINC001473869682 1074182994 /nfs/dbraw/zinc/18/29/94/1074182994.db2.gz AXIQAGUXRSPDIL-HIFRSBDPSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2[nH]ccc21 ZINC001164621681 719089142 /nfs/dbraw/zinc/08/91/42/719089142.db2.gz ANAAZMIARYLQFY-APWZRJJASA-N 1 1 377.448 3.572 20 5 GHBDMO Cc1c(C)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165024286 721815399 /nfs/dbraw/zinc/81/53/99/721815399.db2.gz KGYXPDOJKKWYDN-YSIASYRMSA-N 1 1 395.507 3.739 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000180604911 837391347 /nfs/dbraw/zinc/39/13/47/837391347.db2.gz ZYEWZJRGWZOVPZ-ZFWWWQNUSA-N 1 1 382.363 3.877 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000180604911 837391358 /nfs/dbraw/zinc/39/13/58/837391358.db2.gz ZYEWZJRGWZOVPZ-ZFWWWQNUSA-N 1 1 382.363 3.877 20 5 GHBDMO CC(C)c1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000471395256 837561545 /nfs/dbraw/zinc/56/15/45/837561545.db2.gz YNZTZLUICUYZRM-BGYRXZFFSA-N 1 1 393.487 3.922 20 5 GHBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000180858085 837605966 /nfs/dbraw/zinc/60/59/66/837605966.db2.gz LYBRNYWHDZMJTL-RYUDHWBXSA-N 1 1 395.253 3.820 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000176723419 837725041 /nfs/dbraw/zinc/72/50/41/837725041.db2.gz QXUMLWWXBYYCOQ-GOSISDBHSA-N 1 1 396.491 3.882 20 5 GHBDMO Cc1cc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc(N2CCCC2)n1 ZINC000430160727 834701558 /nfs/dbraw/zinc/70/15/58/834701558.db2.gz GIJDRADGZWMPOL-UHFFFAOYSA-N 1 1 393.447 3.843 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599314 834794331 /nfs/dbraw/zinc/79/43/31/834794331.db2.gz TWFHQQOZKFZDQO-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000471126430 834813582 /nfs/dbraw/zinc/81/35/82/834813582.db2.gz YPCOZYGWBSOURG-SFHVURJKSA-N 1 1 399.491 3.880 20 5 GHBDMO Cc1cn(C[N@@H+](C)C[C@H](C)c2ccccc2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728709036 837827067 /nfs/dbraw/zinc/82/70/67/837827067.db2.gz NRCVJVJJKVNYBJ-INIZCTEOSA-N 1 1 380.448 3.549 20 5 GHBDMO Cc1cn(C[N@H+](C)C[C@H](C)c2ccccc2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728709036 837827076 /nfs/dbraw/zinc/82/70/76/837827076.db2.gz NRCVJVJJKVNYBJ-INIZCTEOSA-N 1 1 380.448 3.549 20 5 GHBDMO Cc1cc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)ccc1Br ZINC000430216208 835193644 /nfs/dbraw/zinc/19/36/44/835193644.db2.gz FCBUSUKKLCYQHA-OAHLLOKOSA-N 1 1 379.258 3.699 20 5 GHBDMO Cc1cc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)ccc1Br ZINC000430216208 835193649 /nfs/dbraw/zinc/19/36/49/835193649.db2.gz FCBUSUKKLCYQHA-OAHLLOKOSA-N 1 1 379.258 3.699 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000510098950 835222385 /nfs/dbraw/zinc/22/23/85/835222385.db2.gz NJKDVYSXROJBJX-PKOBYXMFSA-N 1 1 381.476 3.934 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H]1CCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001167072626 835233057 /nfs/dbraw/zinc/23/30/57/835233057.db2.gz SOGMLRKTNVCRIZ-LJQANCHMSA-N 1 1 379.460 3.581 20 5 GHBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1OCC(=O)NC ZINC000611797003 835351543 /nfs/dbraw/zinc/35/15/43/835351543.db2.gz AKKFQSBLDCLEBB-QGZVFWFLSA-N 1 1 391.855 3.614 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000612131698 835580626 /nfs/dbraw/zinc/58/06/26/835580626.db2.gz BUOLXGFIYGOTTC-SESVDKBCSA-N 1 1 379.460 3.625 20 5 GHBDMO Cc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000612132254 835587947 /nfs/dbraw/zinc/58/79/47/835587947.db2.gz HYWQRKUMWFBPKK-SESVDKBCSA-N 1 1 393.487 3.934 20 5 GHBDMO COc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000102692044 835763023 /nfs/dbraw/zinc/76/30/23/835763023.db2.gz CFIVIVAIPKXEAC-LBPRGKRZSA-N 1 1 377.828 3.855 20 5 GHBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134536533 835780104 /nfs/dbraw/zinc/78/01/04/835780104.db2.gz CXCUVIORGWLGCI-SFHVURJKSA-N 1 1 391.830 3.954 20 5 GHBDMO C[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[NH+](C)C ZINC000609223254 835851470 /nfs/dbraw/zinc/85/14/70/835851470.db2.gz BPTACLXRRYZBMV-LLVKDONJSA-N 1 1 382.258 3.657 20 5 GHBDMO CC(=O)Nc1ccccc1C[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000359869374 836102794 /nfs/dbraw/zinc/10/27/94/836102794.db2.gz IDSIMQLUYNEICW-UHFFFAOYSA-N 1 1 380.448 3.733 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000548933627 836289063 /nfs/dbraw/zinc/28/90/63/836289063.db2.gz IGHNCBOYUUPQMT-BCDXTJNWSA-N 1 1 395.459 3.953 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510164351 836327633 /nfs/dbraw/zinc/32/76/33/836327633.db2.gz DWNTWVXHXIAIKI-WMZOPIPTSA-N 1 1 397.475 3.634 20 5 GHBDMO COCCOc1ccccc1N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000473300715 844160917 /nfs/dbraw/zinc/16/09/17/844160917.db2.gz XSLDUOQDLATFLG-QGZVFWFLSA-N 1 1 385.464 3.503 20 5 GHBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCC2)CC1 ZINC000549729884 844177058 /nfs/dbraw/zinc/17/70/58/844177058.db2.gz UJNZWBJZXZBYDF-UHFFFAOYSA-N 1 1 397.928 3.675 20 5 GHBDMO COc1cc(C[N@@H+](C(C)C)C2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180188386 836596208 /nfs/dbraw/zinc/59/62/08/836596208.db2.gz NMZCOUNKEAANBN-UHFFFAOYSA-N 1 1 388.411 3.637 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247169413 837044170 /nfs/dbraw/zinc/04/41/70/837044170.db2.gz YLKURZFXWPBYJY-PZJWPPBQSA-N 1 1 379.460 3.722 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000472484767 837086125 /nfs/dbraw/zinc/08/61/25/837086125.db2.gz LSXRVAGYPVTEKQ-QVDMIQRCSA-N 1 1 385.439 3.620 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510951220 844239254 /nfs/dbraw/zinc/23/92/54/844239254.db2.gz KYVKJGVDKBCYDH-KGLIPLIRSA-N 1 1 387.402 3.745 20 5 GHBDMO CCOc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000186311573 837155054 /nfs/dbraw/zinc/15/50/54/837155054.db2.gz OMNJUOQZUTXCRH-LJQANCHMSA-N 1 1 397.475 3.730 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000065141096 844241526 /nfs/dbraw/zinc/24/15/26/844241526.db2.gz MDKUBBPKYDDEFT-WMLDXEAASA-N 1 1 378.432 3.641 20 5 GHBDMO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175735931 837231514 /nfs/dbraw/zinc/23/15/14/837231514.db2.gz BSJDJBMKGBDSGU-HKUYNNGSSA-N 1 1 396.491 3.819 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109764681 837838110 /nfs/dbraw/zinc/83/81/10/837838110.db2.gz NJFNVPLCFJBOLA-UHFFFAOYSA-N 1 1 393.447 3.598 20 5 GHBDMO C[C@H]([NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480797711 837838704 /nfs/dbraw/zinc/83/87/04/837838704.db2.gz QJLZIKPNZCCLTB-PGRDOPGGSA-N 1 1 382.508 3.624 20 5 GHBDMO O=C(c1cccc(F)c1)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000128990093 844284500 /nfs/dbraw/zinc/28/45/00/844284500.db2.gz ZTTFRWGBTMNOGM-XBXARRHUSA-N 1 1 383.423 3.595 20 5 GHBDMO O=C(c1cccc(F)c1)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000128990093 844284509 /nfs/dbraw/zinc/28/45/09/844284509.db2.gz ZTTFRWGBTMNOGM-XBXARRHUSA-N 1 1 383.423 3.595 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000579989444 838283773 /nfs/dbraw/zinc/28/37/73/838283773.db2.gz QLJBIRRSZWXFJJ-QFIPXVFZSA-N 1 1 379.460 3.641 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)COc1cccc3ccccc31)C2 ZINC000536007784 838319644 /nfs/dbraw/zinc/31/96/44/838319644.db2.gz NTFQKVKBPXJQNS-GOSISDBHSA-N 1 1 378.428 3.546 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)COc1cccc3ccccc31)C2 ZINC000536007784 838319652 /nfs/dbraw/zinc/31/96/52/838319652.db2.gz NTFQKVKBPXJQNS-GOSISDBHSA-N 1 1 378.428 3.546 20 5 GHBDMO CC[C@@](C)(O)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000189720640 838387514 /nfs/dbraw/zinc/38/75/14/838387514.db2.gz MXYXRBXQNUNYHE-OAQYLSRUSA-N 1 1 396.447 3.808 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000189720640 838387520 /nfs/dbraw/zinc/38/75/20/838387520.db2.gz MXYXRBXQNUNYHE-OAQYLSRUSA-N 1 1 396.447 3.808 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000177663113 838510177 /nfs/dbraw/zinc/51/01/77/838510177.db2.gz ZRWRDDRJIAYJCQ-UHFFFAOYSA-N 1 1 389.496 3.654 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000548021143 838536094 /nfs/dbraw/zinc/53/60/94/838536094.db2.gz SWWADZHKARYBFG-OAHLLOKOSA-N 1 1 387.509 3.554 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000548021143 838536098 /nfs/dbraw/zinc/53/60/98/838536098.db2.gz SWWADZHKARYBFG-OAHLLOKOSA-N 1 1 387.509 3.554 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(F)c1 ZINC000104060543 838612352 /nfs/dbraw/zinc/61/23/52/838612352.db2.gz OPARRFQRTDPMBC-INIZCTEOSA-N 1 1 386.427 3.768 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000471520443 838677587 /nfs/dbraw/zinc/67/75/87/838677587.db2.gz FDFXUAIVTGQVGF-WBVHZDCISA-N 1 1 375.856 3.543 20 5 GHBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000378376405 838982526 /nfs/dbraw/zinc/98/25/26/838982526.db2.gz JOVQWDCNECNNHB-YLJYHZDGSA-N 1 1 396.447 3.676 20 5 GHBDMO Cc1cc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000610430740 839313437 /nfs/dbraw/zinc/31/34/37/839313437.db2.gz MLTMEEGHNXZDEO-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610436446 839392070 /nfs/dbraw/zinc/39/20/70/839392070.db2.gz XMGWKDRUIKADCU-SFHVURJKSA-N 1 1 381.476 3.799 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610446431 839758133 /nfs/dbraw/zinc/75/81/33/839758133.db2.gz YRHAPPSQVJKJKI-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000458222286 844474883 /nfs/dbraw/zinc/47/48/83/844474883.db2.gz QLZRRFPWAAPZCS-QGZVFWFLSA-N 1 1 397.475 3.636 20 5 GHBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000261892076 839856868 /nfs/dbraw/zinc/85/68/68/839856868.db2.gz ZVMUGTLEFCPLDV-MRXNPFEDSA-N 1 1 397.456 3.605 20 5 GHBDMO Cc1ccc([C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000136806903 839896394 /nfs/dbraw/zinc/89/63/94/839896394.db2.gz MAFBBKIFLCCMCI-OAHLLOKOSA-N 1 1 377.828 3.717 20 5 GHBDMO Cc1cn(C[N@@H+]2CC[C@@H](c3ccccc3C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728708417 839978014 /nfs/dbraw/zinc/97/80/14/839978014.db2.gz HDVYVCJKFCGWJN-GOSISDBHSA-N 1 1 392.459 3.611 20 5 GHBDMO Cc1cn(C[N@H+]2CC[C@@H](c3ccccc3C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728708417 839978024 /nfs/dbraw/zinc/97/80/24/839978024.db2.gz HDVYVCJKFCGWJN-GOSISDBHSA-N 1 1 392.459 3.611 20 5 GHBDMO CC(C)Oc1nc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000565230035 839985763 /nfs/dbraw/zinc/98/57/63/839985763.db2.gz POYSAJKFXIVISX-OAHLLOKOSA-N 1 1 385.468 3.694 20 5 GHBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000512557513 844518262 /nfs/dbraw/zinc/51/82/62/844518262.db2.gz SOMGOMZLSNSZBK-ZIAGYGMSSA-N 1 1 399.438 3.713 20 5 GHBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000512557513 844518267 /nfs/dbraw/zinc/51/82/67/844518267.db2.gz SOMGOMZLSNSZBK-ZIAGYGMSSA-N 1 1 399.438 3.713 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000156923412 840897153 /nfs/dbraw/zinc/89/71/53/840897153.db2.gz LCAMSLLYLHUDPY-UNMCSNQZSA-N 1 1 393.487 3.650 20 5 GHBDMO O=C(CC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000500152940 841525499 /nfs/dbraw/zinc/52/54/99/841525499.db2.gz IXMOLVBYWVPVEO-QFIPXVFZSA-N 1 1 390.443 3.830 20 5 GHBDMO O=C(CC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000500152940 841525508 /nfs/dbraw/zinc/52/55/08/841525508.db2.gz IXMOLVBYWVPVEO-QFIPXVFZSA-N 1 1 390.443 3.830 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312653377 841544981 /nfs/dbraw/zinc/54/49/81/841544981.db2.gz GBIABEFHZWDLIE-RHSMWYFYSA-N 1 1 387.867 3.889 20 5 GHBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000108579937 841649800 /nfs/dbraw/zinc/64/98/00/841649800.db2.gz YGBFGHSHOHMVSF-UHFFFAOYSA-N 1 1 391.537 3.802 20 5 GHBDMO CCOc1ccc(C[NH+]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1 ZINC000603845331 861263908 /nfs/dbraw/zinc/26/39/08/861263908.db2.gz IDNPVXAFXKWGSF-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000512113549 842540341 /nfs/dbraw/zinc/54/03/41/842540341.db2.gz LMIZJJKUWBWJJR-INIZCTEOSA-N 1 1 394.475 3.587 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000603890056 861336043 /nfs/dbraw/zinc/33/60/43/861336043.db2.gz NANJNZQNYCPOIJ-INIZCTEOSA-N 1 1 378.432 3.894 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000603890056 861336060 /nfs/dbraw/zinc/33/60/60/861336060.db2.gz NANJNZQNYCPOIJ-INIZCTEOSA-N 1 1 378.432 3.894 20 5 GHBDMO C[C@H]1CCCN(c2ccc(C(=O)Nc3cc[nH+]c(N(C)C)c3)cc2[N+](=O)[O-])C1 ZINC000500439931 843090454 /nfs/dbraw/zinc/09/04/54/843090454.db2.gz JGAGVXUUAVXCSF-AWEZNQCLSA-N 1 1 383.452 3.544 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302835191 861381642 /nfs/dbraw/zinc/38/16/42/861381642.db2.gz UVUNVRASBLWVNK-UYAOXDASSA-N 1 1 382.464 3.590 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)nc2c1 ZINC000512245630 843206714 /nfs/dbraw/zinc/20/67/14/843206714.db2.gz RAABMNNBGUYVDD-JOCHJYFZSA-N 1 1 391.475 3.569 20 5 GHBDMO COCCn1cc2c(n1)[C@@H]([NH2+][C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CCC2 ZINC000433225502 843884385 /nfs/dbraw/zinc/88/43/85/843884385.db2.gz IPFZZQLEJWPRPN-OALUTQOASA-N 1 1 384.480 3.827 20 5 GHBDMO Cc1cc(OCC(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000500775891 843997304 /nfs/dbraw/zinc/99/73/04/843997304.db2.gz CEEHXDVIDQYRJQ-UHFFFAOYSA-N 1 1 377.828 3.636 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127437300 845101149 /nfs/dbraw/zinc/10/11/49/845101149.db2.gz LRJOCTXCEDLBKA-KRWDZBQOSA-N 1 1 393.447 3.875 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127437300 845101155 /nfs/dbraw/zinc/10/11/55/845101155.db2.gz LRJOCTXCEDLBKA-KRWDZBQOSA-N 1 1 393.447 3.875 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000509772845 845141373 /nfs/dbraw/zinc/14/13/73/845141373.db2.gz LXFCIRCRXBYRPV-UHFFFAOYSA-N 1 1 384.480 3.647 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000131640600 861536505 /nfs/dbraw/zinc/53/65/05/861536505.db2.gz WZVXUVBZRRSZGV-INIZCTEOSA-N 1 1 382.464 3.654 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000131640600 861536519 /nfs/dbraw/zinc/53/65/19/861536519.db2.gz WZVXUVBZRRSZGV-INIZCTEOSA-N 1 1 382.464 3.654 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433073431 845168608 /nfs/dbraw/zinc/16/86/08/845168608.db2.gz AXYLBHYUOVYMGL-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433073431 845168615 /nfs/dbraw/zinc/16/86/15/845168615.db2.gz AXYLBHYUOVYMGL-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC ZINC000513386134 845361216 /nfs/dbraw/zinc/36/12/16/845361216.db2.gz GQZIQSJMUJKHBH-OAHLLOKOSA-N 1 1 386.404 3.678 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC ZINC000513386134 845361224 /nfs/dbraw/zinc/36/12/24/845361224.db2.gz GQZIQSJMUJKHBH-OAHLLOKOSA-N 1 1 386.404 3.678 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)nc2c1 ZINC000614261546 845466632 /nfs/dbraw/zinc/46/66/32/845466632.db2.gz RSLZRRDLSXENPM-CYBMUJFWSA-N 1 1 377.404 3.992 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)nc2c1 ZINC000614261546 845466634 /nfs/dbraw/zinc/46/66/34/845466634.db2.gz RSLZRRDLSXENPM-CYBMUJFWSA-N 1 1 377.404 3.992 20 5 GHBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000600313098 861582356 /nfs/dbraw/zinc/58/23/56/861582356.db2.gz HQHGVPUSTVMQIF-GOSISDBHSA-N 1 1 397.475 3.636 20 5 GHBDMO COCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCSC1 ZINC000433182038 845621456 /nfs/dbraw/zinc/62/14/56/845621456.db2.gz MUPSRWMMUVUWGT-QGZVFWFLSA-N 1 1 377.466 3.594 20 5 GHBDMO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCOCC2)cc1 ZINC000071968883 846069580 /nfs/dbraw/zinc/06/95/80/846069580.db2.gz UPZSZUWQGOEPCO-OAQYLSRUSA-N 1 1 392.459 3.937 20 5 GHBDMO C[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c2ccccc2S1 ZINC000511059043 846142312 /nfs/dbraw/zinc/14/23/12/846142312.db2.gz JRKQXKOZCBFCEL-INIZCTEOSA-N 1 1 399.516 3.987 20 5 GHBDMO C[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c2ccccc2S1 ZINC000511059043 846142314 /nfs/dbraw/zinc/14/23/14/846142314.db2.gz JRKQXKOZCBFCEL-INIZCTEOSA-N 1 1 399.516 3.987 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@]23CCOC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000421393893 846209519 /nfs/dbraw/zinc/20/95/19/846209519.db2.gz FJOBRIBKFKSNQW-OAQYLSRUSA-N 1 1 384.432 3.547 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@]23CCOC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000421393893 846209534 /nfs/dbraw/zinc/20/95/34/846209534.db2.gz FJOBRIBKFKSNQW-OAQYLSRUSA-N 1 1 384.432 3.547 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000513671301 846218044 /nfs/dbraw/zinc/21/80/44/846218044.db2.gz BTKRTNRYXDZDQC-OAQYLSRUSA-N 1 1 387.443 3.798 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000582085255 846278017 /nfs/dbraw/zinc/27/80/17/846278017.db2.gz ZABIGUCTRRZKEJ-YOEHRIQHSA-N 1 1 376.840 3.825 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000063483312 846371029 /nfs/dbraw/zinc/37/10/29/846371029.db2.gz QWEOWHHCZXGBKP-UHFFFAOYSA-N 1 1 393.447 3.550 20 5 GHBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc2c(c1)OCCO2 ZINC000582172933 846586385 /nfs/dbraw/zinc/58/63/85/846586385.db2.gz YVMXVSQLWCEFPI-UHFFFAOYSA-N 1 1 395.415 3.696 20 5 GHBDMO CC[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)[N@H+]1CCc2ccccc2C1 ZINC000501393426 846887422 /nfs/dbraw/zinc/88/74/22/846887422.db2.gz ZLZLJCCHCJKTNK-SFHVURJKSA-N 1 1 382.464 3.862 20 5 GHBDMO O=[N+]([O-])c1ccc2ccnc(NCc3ccccc3C[N@@H+]3CCC[C@H]3CO)c2c1 ZINC000413242328 847033224 /nfs/dbraw/zinc/03/32/24/847033224.db2.gz LBKYOIJUWOLYGV-FQEVSTJZSA-N 1 1 392.459 3.712 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829332 861754038 /nfs/dbraw/zinc/75/40/38/861754038.db2.gz BZEBILCPLVUZIU-OAHLLOKOSA-N 1 1 385.468 3.633 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127654018 847210072 /nfs/dbraw/zinc/21/00/72/847210072.db2.gz RLNYVHLIHXQYDK-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420945425 847564623 /nfs/dbraw/zinc/56/46/23/847564623.db2.gz KSDMHTMHFWRGOO-GFCCVEGCSA-N 1 1 389.374 3.596 20 5 GHBDMO Cc1c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000479671390 847795939 /nfs/dbraw/zinc/79/59/39/847795939.db2.gz KMQWPHJEENDXEY-JXFKEZNVSA-N 1 1 396.491 3.613 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000050628980 847943140 /nfs/dbraw/zinc/94/31/40/847943140.db2.gz KSAKCPHNQKNDQK-AWEZNQCLSA-N 1 1 388.493 3.569 20 5 GHBDMO CCOc1c(Cl)cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000601150386 861859000 /nfs/dbraw/zinc/85/90/00/861859000.db2.gz WTEXMQLGQYLLET-LJQANCHMSA-N 1 1 394.855 3.653 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604127371 861861856 /nfs/dbraw/zinc/86/18/56/861861856.db2.gz VESZZPIQLCWDFI-LPHOPBHVSA-N 1 1 382.464 3.620 20 5 GHBDMO C[N@@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000611712867 848264537 /nfs/dbraw/zinc/26/45/37/848264537.db2.gz RMZDPXJOAUFOHS-ZWKOTPCHSA-N 1 1 385.374 3.674 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000611712867 848264549 /nfs/dbraw/zinc/26/45/49/848264549.db2.gz RMZDPXJOAUFOHS-ZWKOTPCHSA-N 1 1 385.374 3.674 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611713207 848269552 /nfs/dbraw/zinc/26/95/52/848269552.db2.gz ZXRHDVBGECAKQX-JKSUJKDBSA-N 1 1 377.448 3.637 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132106114 861909419 /nfs/dbraw/zinc/90/94/19/861909419.db2.gz YLKURZFXWPBYJY-FPOVZHCZSA-N 1 1 379.460 3.722 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000176398611 849079323 /nfs/dbraw/zinc/07/93/23/849079323.db2.gz YFMWHGJQZBIWIA-AWEZNQCLSA-N 1 1 389.418 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnc3ccc(C(F)(F)F)cn31)CCC2 ZINC000278173394 849490284 /nfs/dbraw/zinc/49/02/84/849490284.db2.gz CPNWQIAXFQKXPH-OAHLLOKOSA-N 1 1 391.353 3.824 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000278227151 849756244 /nfs/dbraw/zinc/75/62/44/849756244.db2.gz UVWIRJCJTGPRSI-UHFFFAOYSA-N 1 1 379.460 3.566 20 5 GHBDMO CCNc1ccc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001269900825 850061843 /nfs/dbraw/zinc/06/18/43/850061843.db2.gz TWNJEHOAQBGCFU-OAQYLSRUSA-N 1 1 396.491 3.667 20 5 GHBDMO Cc1c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cccc1[N+](=O)[O-] ZINC000504601269 850169953 /nfs/dbraw/zinc/16/99/53/850169953.db2.gz IYINTGKSCWVFFE-MRXNPFEDSA-N 1 1 389.402 3.999 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)ccc1Oc1ccc(F)cc1 ZINC000425356616 850434091 /nfs/dbraw/zinc/43/40/91/850434091.db2.gz WSQPZPSISCXTPD-KRWDZBQOSA-N 1 1 397.410 3.955 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)ccc1Oc1ccc(F)cc1 ZINC000425356616 850434098 /nfs/dbraw/zinc/43/40/98/850434098.db2.gz WSQPZPSISCXTPD-KRWDZBQOSA-N 1 1 397.410 3.955 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000732206622 862130562 /nfs/dbraw/zinc/13/05/62/862130562.db2.gz IEGBQOIUAREFCZ-AWEZNQCLSA-N 1 1 381.473 3.727 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000732206622 862130570 /nfs/dbraw/zinc/13/05/70/862130570.db2.gz IEGBQOIUAREFCZ-AWEZNQCLSA-N 1 1 381.473 3.727 20 5 GHBDMO COc1cc(CN(C)[C@H]2CCC[NH2+]CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435430914 850514387 /nfs/dbraw/zinc/51/43/87/850514387.db2.gz FXQJDFZEJNULJB-IBGZPJMESA-N 1 1 399.491 3.756 20 5 GHBDMO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487284866 850647012 /nfs/dbraw/zinc/64/70/12/850647012.db2.gz GAJBPYMFXJSBIJ-DOTOQJQBSA-N 1 1 393.443 3.981 20 5 GHBDMO CCNc1ccc(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487318982 850674127 /nfs/dbraw/zinc/67/41/27/850674127.db2.gz ZWQAAOVQSFJFDJ-APWZRJJASA-N 1 1 396.491 3.667 20 5 GHBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425007921 850859371 /nfs/dbraw/zinc/85/93/71/850859371.db2.gz OJTPDVBBFVQQCU-MAUKXSAKSA-N 1 1 385.851 3.595 20 5 GHBDMO CC(C)[N@@H+](CC(N)=O)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506804458 850962854 /nfs/dbraw/zinc/96/28/54/850962854.db2.gz GPNHNOZOHMBXQV-UHFFFAOYSA-N 1 1 377.828 3.736 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000481774135 862230343 /nfs/dbraw/zinc/23/03/43/862230343.db2.gz XIBYVDDPWHMPNG-INIZCTEOSA-N 1 1 397.475 3.765 20 5 GHBDMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000434614540 851350714 /nfs/dbraw/zinc/35/07/14/851350714.db2.gz AFFKJKTWVCHPSR-LBPRGKRZSA-N 1 1 386.477 3.920 20 5 GHBDMO C[N@H+](CCCOc1ccc(F)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000030267495 862236692 /nfs/dbraw/zinc/23/66/92/862236692.db2.gz YTMGGFYNWCJCSI-UHFFFAOYSA-N 1 1 386.383 3.685 20 5 GHBDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000030267495 862236710 /nfs/dbraw/zinc/23/67/10/862236710.db2.gz YTMGGFYNWCJCSI-UHFFFAOYSA-N 1 1 386.383 3.685 20 5 GHBDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000425505896 851400356 /nfs/dbraw/zinc/40/03/56/851400356.db2.gz BXDQEHZYFOSLDV-UHFFFAOYSA-N 1 1 377.828 3.720 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000058948992 851420520 /nfs/dbraw/zinc/42/05/20/851420520.db2.gz CJGWINXUOMSRDO-QGZVFWFLSA-N 1 1 397.475 3.522 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000505787022 851444320 /nfs/dbraw/zinc/44/43/20/851444320.db2.gz JFMDYCRYPAZXOQ-CABCVRRESA-N 1 1 379.526 3.947 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000488532381 851589181 /nfs/dbraw/zinc/58/91/81/851589181.db2.gz NGIHMPCNWJBLKK-MAUKXSAKSA-N 1 1 392.459 3.717 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425556196 851931134 /nfs/dbraw/zinc/93/11/34/851931134.db2.gz SHZNLGAARJVOAA-HXUWFJFHSA-N 1 1 387.480 3.513 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830306 852417247 /nfs/dbraw/zinc/41/72/47/852417247.db2.gz XFEQRRQIDFIGTJ-KSZLIROESA-N 1 1 375.513 3.867 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000732568130 862360792 /nfs/dbraw/zinc/36/07/92/862360792.db2.gz LMALNJULNCIQPA-UHFFFAOYSA-N 1 1 391.431 3.593 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000505906372 852546191 /nfs/dbraw/zinc/54/61/91/852546191.db2.gz NQDJQEKVDTUSSC-IRXDYDNUSA-N 1 1 391.537 3.800 20 5 GHBDMO CCC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000507084716 852548056 /nfs/dbraw/zinc/54/80/56/852548056.db2.gz KFOCTGHUHQZRET-UHFFFAOYSA-N 1 1 397.475 3.723 20 5 GHBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000438554181 852568661 /nfs/dbraw/zinc/56/86/61/852568661.db2.gz UARBFZQYTUOTBI-AWEZNQCLSA-N 1 1 385.251 3.642 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000506308987 852680534 /nfs/dbraw/zinc/68/05/34/852680534.db2.gz IRRCREQTNVCVIH-INIZCTEOSA-N 1 1 383.448 3.844 20 5 GHBDMO CC[C@H](CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000543886967 852709242 /nfs/dbraw/zinc/70/92/42/852709242.db2.gz XXVHPVFYZCOPQK-GOSISDBHSA-N 1 1 398.463 3.562 20 5 GHBDMO O=C1c2ccccc2C(=O)N1CCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490016534 852725800 /nfs/dbraw/zinc/72/58/00/852725800.db2.gz WGMGCIDTDHJDOS-UHFFFAOYSA-N 1 1 393.443 3.636 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)cc1OC ZINC000426197552 852983238 /nfs/dbraw/zinc/98/32/38/852983238.db2.gz DCYKMXMHIMKNBB-QGPMSJSTSA-N 1 1 380.485 3.764 20 5 GHBDMO Cc1cc(F)cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000151044752 852988944 /nfs/dbraw/zinc/98/89/44/852988944.db2.gz XQTLXPONLKZSRX-KRWDZBQOSA-N 1 1 385.439 3.636 20 5 GHBDMO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000913062770 853044396 /nfs/dbraw/zinc/04/43/96/853044396.db2.gz WBNRPEQULOSTOV-OAHLLOKOSA-N 1 1 399.882 3.934 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000490548571 853085854 /nfs/dbraw/zinc/08/58/54/853085854.db2.gz XCPCJEGXKHPVQZ-SUMWQHHRSA-N 1 1 377.510 3.555 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000490548568 853085892 /nfs/dbraw/zinc/08/58/92/853085892.db2.gz XCPCJEGXKHPVQZ-GUYCJALGSA-N 1 1 377.510 3.555 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)COc2ccccc2Cl)C2CC2)cc1 ZINC000490828447 853280612 /nfs/dbraw/zinc/28/06/12/853280612.db2.gz QRLZZTJXQJSPTC-KRWDZBQOSA-N 1 1 376.840 3.653 20 5 GHBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044520775 853488729 /nfs/dbraw/zinc/48/87/29/853488729.db2.gz YWVIXBGEDNPBGC-HNNXBMFYSA-N 1 1 379.869 3.877 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163659826 853507583 /nfs/dbraw/zinc/50/75/83/853507583.db2.gz YWEPVAPDCSVKRY-QGZVFWFLSA-N 1 1 388.512 3.923 20 5 GHBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000054775685 853524233 /nfs/dbraw/zinc/52/42/33/853524233.db2.gz MFTJBPHWTPERCI-SFHVURJKSA-N 1 1 391.830 3.954 20 5 GHBDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000439334454 853545409 /nfs/dbraw/zinc/54/54/09/853545409.db2.gz XGINMDJCPSVNHS-HOCLYGCPSA-N 1 1 397.431 3.530 20 5 GHBDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000439334454 853545417 /nfs/dbraw/zinc/54/54/17/853545417.db2.gz XGINMDJCPSVNHS-HOCLYGCPSA-N 1 1 397.431 3.530 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000517251802 853570049 /nfs/dbraw/zinc/57/00/49/853570049.db2.gz OPNIAFZYCVGGIA-OAQYLSRUSA-N 1 1 391.475 3.676 20 5 GHBDMO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[NH+](C2CC2)CC1 ZINC000438489298 853959766 /nfs/dbraw/zinc/95/97/66/853959766.db2.gz NFXSGVMHLVUVLN-UHFFFAOYSA-N 1 1 382.420 3.699 20 5 GHBDMO Cn1cc[nH+]c1C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC000587987837 854059797 /nfs/dbraw/zinc/05/97/97/854059797.db2.gz GRVAUZMDLRVGNB-CQSZACIVSA-N 1 1 380.433 3.729 20 5 GHBDMO Cc1c(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000589314911 854805588 /nfs/dbraw/zinc/80/55/88/854805588.db2.gz IZFNJKWLKJWHJX-RBUKOAKNSA-N 1 1 394.475 3.889 20 5 GHBDMO C[C@H]1C[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301610672 855381282 /nfs/dbraw/zinc/38/12/82/855381282.db2.gz CRNTXVVLCGZQFJ-HNAYVOBHSA-N 1 1 394.475 3.562 20 5 GHBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@@H]2C1 ZINC000590447105 855424453 /nfs/dbraw/zinc/42/44/53/855424453.db2.gz YHZHURSNVARJPO-DNVCBOLYSA-N 1 1 383.473 3.522 20 5 GHBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248411439 855424765 /nfs/dbraw/zinc/42/47/65/855424765.db2.gz ZESOTIJKQSYILP-IEBWSBKVSA-N 1 1 395.463 3.508 20 5 GHBDMO COC(=O)c1c(Cl)c(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000590583581 855499459 /nfs/dbraw/zinc/49/94/59/855499459.db2.gz ZGNJMPIMHPMVIJ-KSSFIOAISA-N 1 1 389.839 3.892 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OCc3ccccc3)CC2)c2c(c1)COCO2 ZINC000280824266 855741217 /nfs/dbraw/zinc/74/12/17/855741217.db2.gz KHUBUGPHKQHGIM-UHFFFAOYSA-N 1 1 384.432 3.643 20 5 GHBDMO CC(C)Oc1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000591065933 855763343 /nfs/dbraw/zinc/76/33/43/855763343.db2.gz XJMDWQJHTXKKMN-IBGZPJMESA-N 1 1 397.475 3.729 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000574765492 855848823 /nfs/dbraw/zinc/84/88/23/855848823.db2.gz LXNBIYZHNADMGF-MAUKXSAKSA-N 1 1 384.432 3.730 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CC1 ZINC000573214307 855932476 /nfs/dbraw/zinc/93/24/76/855932476.db2.gz NCZCOYNBKFNUOL-UHFFFAOYSA-N 1 1 398.511 3.745 20 5 GHBDMO C[C@H](c1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000172249571 856229327 /nfs/dbraw/zinc/22/93/27/856229327.db2.gz BBOPEWXTTHFIQE-MRXNPFEDSA-N 1 1 398.463 3.652 20 5 GHBDMO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000172018032 856322200 /nfs/dbraw/zinc/32/22/00/856322200.db2.gz SBLIHHMVEKVJGW-UHFFFAOYSA-N 1 1 387.867 3.777 20 5 GHBDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457197 856669061 /nfs/dbraw/zinc/66/90/61/856669061.db2.gz MELYQINZJFDECE-LSDHHAIUSA-N 1 1 393.509 3.916 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](Cc3ccccc3)[C@@H](CO)C3CCC3)nc2c1 ZINC000592139521 856688655 /nfs/dbraw/zinc/68/86/55/856688655.db2.gz LARLGJZVTDOPBV-FQEVSTJZSA-N 1 1 380.448 3.634 20 5 GHBDMO Cc1ccc(C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC2CC2)cn1 ZINC000592145781 856709986 /nfs/dbraw/zinc/70/99/86/856709986.db2.gz ASNTXURPYLXAEW-UHFFFAOYSA-N 1 1 382.464 3.847 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173518359 856969846 /nfs/dbraw/zinc/96/98/46/856969846.db2.gz ZLVKWMJTDMDNSP-CYBMUJFWSA-N 1 1 387.402 3.998 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058539911 857012656 /nfs/dbraw/zinc/01/26/56/857012656.db2.gz SUNKJIGTEWHMCY-LJQANCHMSA-N 1 1 393.447 3.527 20 5 GHBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000159633655 862864250 /nfs/dbraw/zinc/86/42/50/862864250.db2.gz WUSDNTRUYURQBQ-ZFWWWQNUSA-N 1 1 387.411 3.612 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592872883 857119281 /nfs/dbraw/zinc/11/92/81/857119281.db2.gz MQUUBWNOUJEHAR-KRWDZBQOSA-N 1 1 399.495 3.566 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592872883 857119284 /nfs/dbraw/zinc/11/92/84/857119284.db2.gz MQUUBWNOUJEHAR-KRWDZBQOSA-N 1 1 399.495 3.566 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592872883 857119288 /nfs/dbraw/zinc/11/92/88/857119288.db2.gz MQUUBWNOUJEHAR-KRWDZBQOSA-N 1 1 399.495 3.566 20 5 GHBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245736829 857155205 /nfs/dbraw/zinc/15/52/05/857155205.db2.gz UXKNCQBPWWUPRP-RDTXWAMCSA-N 1 1 391.830 3.810 20 5 GHBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000485894124 857183344 /nfs/dbraw/zinc/18/33/44/857183344.db2.gz CCMKSTMXZLGBGI-UHFFFAOYSA-N 1 1 395.450 3.530 20 5 GHBDMO COc1ccc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)nc1 ZINC000593041386 857195912 /nfs/dbraw/zinc/19/59/12/857195912.db2.gz MWXXKGVMICRBEW-OAHLLOKOSA-N 1 1 398.463 3.513 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)CSc1ccccc1 ZINC000593046057 857198386 /nfs/dbraw/zinc/19/83/86/857198386.db2.gz LZYITKPNTJVAMX-AWEZNQCLSA-N 1 1 389.477 3.655 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)CSc1ccccc1 ZINC000593046057 857198392 /nfs/dbraw/zinc/19/83/92/857198392.db2.gz LZYITKPNTJVAMX-AWEZNQCLSA-N 1 1 389.477 3.655 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000508368914 857239947 /nfs/dbraw/zinc/23/99/47/857239947.db2.gz HVAJPZVOZOTKFF-UHFFFAOYSA-N 1 1 383.448 3.646 20 5 GHBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CCN(c2ccccn2)CC1 ZINC000174395180 857284116 /nfs/dbraw/zinc/28/41/16/857284116.db2.gz VOTPJVSREIBBMS-UHFFFAOYSA-N 1 1 384.480 3.737 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000159653544 862896113 /nfs/dbraw/zinc/89/61/13/862896113.db2.gz QQHIXIZIUINQSQ-OAHLLOKOSA-N 1 1 379.526 3.757 20 5 GHBDMO COc1ccc(C[NH+]2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)cc1[N+](=O)[O-] ZINC000593076688 857338239 /nfs/dbraw/zinc/33/82/39/857338239.db2.gz DNKCTOYCJMBBNQ-XJKSGUPXSA-N 1 1 386.452 3.565 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043342552 857372060 /nfs/dbraw/zinc/37/20/60/857372060.db2.gz QZIBDUSAJZJBCA-UHFFFAOYSA-N 1 1 388.855 3.988 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592433549 857440215 /nfs/dbraw/zinc/44/02/15/857440215.db2.gz APZXDVPHXISNHM-IRXDYDNUSA-N 1 1 386.521 3.930 20 5 GHBDMO CC(C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000520976731 857470938 /nfs/dbraw/zinc/47/09/38/857470938.db2.gz WUOUNOIZMYRWCF-HXUWFJFHSA-N 1 1 385.439 3.547 20 5 GHBDMO Cc1c(CC(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000438903744 857591581 /nfs/dbraw/zinc/59/15/81/857591581.db2.gz KLNMXIWGWPTTSH-JOCHJYFZSA-N 1 1 395.503 3.645 20 5 GHBDMO CC(C)(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000181614649 862941097 /nfs/dbraw/zinc/94/10/97/862941097.db2.gz XWGQWRRVPNYOGQ-QGZVFWFLSA-N 1 1 377.391 3.849 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000486424031 857724421 /nfs/dbraw/zinc/72/44/21/857724421.db2.gz USPYTFNPOUPQMG-CQSZACIVSA-N 1 1 387.402 3.854 20 5 GHBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000593871580 857751685 /nfs/dbraw/zinc/75/16/85/857751685.db2.gz LHUKCWOKQJGJLG-HDICACEKSA-N 1 1 391.515 3.534 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000113934636 857795207 /nfs/dbraw/zinc/79/52/07/857795207.db2.gz IAPHVSGBOIYVTA-QZTJIDSGSA-N 1 1 388.512 3.510 20 5 GHBDMO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)[C@H]1c1ccccc1 ZINC000301831247 858131717 /nfs/dbraw/zinc/13/17/17/858131717.db2.gz IETXVMOHJKTHTC-LSDHHAIUSA-N 1 1 377.242 3.610 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)[C@H]1c1ccccc1 ZINC000301831247 858131725 /nfs/dbraw/zinc/13/17/25/858131725.db2.gz IETXVMOHJKTHTC-LSDHHAIUSA-N 1 1 377.242 3.610 20 5 GHBDMO CCCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592830098 858296199 /nfs/dbraw/zinc/29/61/99/858296199.db2.gz BLKMIEMUDDLDHH-IBGZPJMESA-N 1 1 396.491 3.763 20 5 GHBDMO Cc1ccc([C@H](CNc2c(Br)cncc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000301863092 858363438 /nfs/dbraw/zinc/36/34/38/858363438.db2.gz FGAVNRATRFQUPN-ZDUSSCGKSA-N 1 1 395.257 3.903 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1Cc1ccccc1 ZINC000521834001 858372302 /nfs/dbraw/zinc/37/23/02/858372302.db2.gz QOEKHMAIYJJBRX-IBGZPJMESA-N 1 1 391.427 3.746 20 5 GHBDMO CC[C@@H](CC(F)F)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000595432006 858528277 /nfs/dbraw/zinc/52/82/77/858528277.db2.gz IQQFHVPVLJHLOB-ZDUSSCGKSA-N 1 1 381.427 3.665 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595756555 858676461 /nfs/dbraw/zinc/67/64/61/858676461.db2.gz GWTUNHFSSFGDDO-PIPMEXSNSA-N 1 1 395.459 3.551 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595756555 858676464 /nfs/dbraw/zinc/67/64/64/858676464.db2.gz GWTUNHFSSFGDDO-PIPMEXSNSA-N 1 1 395.459 3.551 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000595880728 858705069 /nfs/dbraw/zinc/70/50/69/858705069.db2.gz OEZLRWWFYHIAAP-MRXNPFEDSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000543181817 858758325 /nfs/dbraw/zinc/75/83/25/858758325.db2.gz NNVDALKHRHGPCP-AUUYWEPGSA-N 1 1 399.447 3.634 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000543181817 858758330 /nfs/dbraw/zinc/75/83/30/858758330.db2.gz NNVDALKHRHGPCP-AUUYWEPGSA-N 1 1 399.447 3.634 20 5 GHBDMO C[C@H]1C[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000482707600 858781848 /nfs/dbraw/zinc/78/18/48/858781848.db2.gz MOGSWCPSSLQMCJ-FUHWJXTLSA-N 1 1 393.491 3.956 20 5 GHBDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000121107204 858865111 /nfs/dbraw/zinc/86/51/11/858865111.db2.gz KPFHCPJUYIVZIH-HOCLYGCPSA-N 1 1 393.509 3.916 20 5 GHBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)nc1 ZINC000116273748 858922043 /nfs/dbraw/zinc/92/20/43/858922043.db2.gz YRNXZOQNTFBAHN-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO COC(=O)c1c(Cl)c(NC[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596570756 858940032 /nfs/dbraw/zinc/94/00/32/858940032.db2.gz NRRBOZYWEFTGNR-CYBMUJFWSA-N 1 1 381.860 3.569 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000543293683 859177011 /nfs/dbraw/zinc/17/70/11/859177011.db2.gz UWVMLDSJYXOEAR-TZMCWYRMSA-N 1 1 385.917 3.672 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000601366319 859200521 /nfs/dbraw/zinc/20/05/21/859200521.db2.gz GRUIRCVENWOTCZ-DOTOQJQBSA-N 1 1 385.439 3.764 20 5 GHBDMO C[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@H+]1Cc1ccccc1 ZINC000160858773 859293340 /nfs/dbraw/zinc/29/33/40/859293340.db2.gz GUUNQWCWRHFXJJ-PBHICJAKSA-N 1 1 380.448 3.554 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509399264 859314103 /nfs/dbraw/zinc/31/41/03/859314103.db2.gz LGEXRHJUVNKLJC-FQEVSTJZSA-N 1 1 396.491 3.789 20 5 GHBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC[C@@H]2N1 ZINC000597205847 859359780 /nfs/dbraw/zinc/35/97/80/859359780.db2.gz LIHURCIBIGIWPV-SJCJKPOMSA-N 1 1 389.839 3.609 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597583991 859666676 /nfs/dbraw/zinc/66/66/76/859666676.db2.gz WJCJUYWCNHYBLD-DLBZAZTESA-N 1 1 395.500 3.745 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(COc3ccccc3)CC1)OCCO2 ZINC000611262842 859671962 /nfs/dbraw/zinc/67/19/62/859671962.db2.gz OHDNOYRHBWGTCY-UHFFFAOYSA-N 1 1 384.432 3.657 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611266514 859673828 /nfs/dbraw/zinc/67/38/28/859673828.db2.gz NTGGRJJOJPSDJS-KRWDZBQOSA-N 1 1 384.432 3.582 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000597668707 859716952 /nfs/dbraw/zinc/71/69/52/859716952.db2.gz XXBYTSATEVTROI-UHFFFAOYSA-N 1 1 378.432 3.933 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000597668707 859716958 /nfs/dbraw/zinc/71/69/58/859716958.db2.gz XXBYTSATEVTROI-UHFFFAOYSA-N 1 1 378.432 3.933 20 5 GHBDMO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765005440 859732907 /nfs/dbraw/zinc/73/29/07/859732907.db2.gz CPEIYXRAWFIDEU-HNNXBMFYSA-N 1 1 396.447 3.522 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CNc3ccc(N4CC[N@H+]5CCC[C@H]5C4)cc3)nc2c1 ZINC000895647095 859745601 /nfs/dbraw/zinc/74/56/01/859745601.db2.gz LLYNZIWOYSLZQF-SFHVURJKSA-N 1 1 393.447 3.633 20 5 GHBDMO COc1ccc(C[C@@H](C)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170344555 881459778 /nfs/dbraw/zinc/45/97/78/881459778.db2.gz BXVUMZFHYYKKOU-UIFIKXQLSA-N 1 1 395.503 3.598 20 5 GHBDMO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543459165 859777622 /nfs/dbraw/zinc/77/76/22/859777622.db2.gz QRQURJLUJPRQTP-CRAIPNDOSA-N 1 1 385.439 3.570 20 5 GHBDMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000611488561 859782430 /nfs/dbraw/zinc/78/24/30/859782430.db2.gz WBTNGFKNWSRKJA-MRXNPFEDSA-N 1 1 394.475 3.991 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000161306755 859822317 /nfs/dbraw/zinc/82/23/17/859822317.db2.gz MFZLAHWLGUKZMF-QAPCUYQASA-N 1 1 391.537 3.899 20 5 GHBDMO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000250503521 859846638 /nfs/dbraw/zinc/84/66/38/859846638.db2.gz BOLMLLIUZZJAMT-CRAIPNDOSA-N 1 1 383.448 3.559 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)nccc2NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000593455078 859862563 /nfs/dbraw/zinc/86/25/63/859862563.db2.gz OKJWZFIAIBZZLR-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO COc1cc(C[N@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092428004 860045651 /nfs/dbraw/zinc/04/56/51/860045651.db2.gz ALMLDOIQQLSGQT-ZDUSSCGKSA-N 1 1 392.374 3.545 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092428004 860045657 /nfs/dbraw/zinc/04/56/57/860045657.db2.gz ALMLDOIQQLSGQT-ZDUSSCGKSA-N 1 1 392.374 3.545 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC001170352108 881498074 /nfs/dbraw/zinc/49/80/74/881498074.db2.gz LMVNRPDBWNKURL-HNNXBMFYSA-N 1 1 395.500 3.770 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000484540220 860099555 /nfs/dbraw/zinc/09/95/55/860099555.db2.gz DVOGBHZWEVTGLV-CYBMUJFWSA-N 1 1 383.404 3.981 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000484540220 860099561 /nfs/dbraw/zinc/09/95/61/860099561.db2.gz DVOGBHZWEVTGLV-CYBMUJFWSA-N 1 1 383.404 3.981 20 5 GHBDMO CC(C)OCCN1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602570543 860120922 /nfs/dbraw/zinc/12/09/22/860120922.db2.gz CDXSXYXAHPCGTG-UHFFFAOYSA-N 1 1 389.418 3.593 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CCc3ccccc3)C(F)F)CC2)cn1 ZINC000602722805 860217179 /nfs/dbraw/zinc/21/71/79/860217179.db2.gz HVMVBWYPHXCWCJ-GOSISDBHSA-N 1 1 390.434 3.815 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Br)cc1 ZINC000007266129 860231325 /nfs/dbraw/zinc/23/13/25/860231325.db2.gz NFHKOGQAJXCBHL-LBPRGKRZSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Br)cc1 ZINC000007266129 860231333 /nfs/dbraw/zinc/23/13/33/860231333.db2.gz NFHKOGQAJXCBHL-LBPRGKRZSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)S(C)(=O)=O ZINC000093420722 860269397 /nfs/dbraw/zinc/26/93/97/860269397.db2.gz GXCZBHVAZWHARM-QWHCGFSZSA-N 1 1 382.507 3.577 20 5 GHBDMO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)S(C)(=O)=O ZINC000093420722 860269406 /nfs/dbraw/zinc/26/94/06/860269406.db2.gz GXCZBHVAZWHARM-QWHCGFSZSA-N 1 1 382.507 3.577 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598396344 860279382 /nfs/dbraw/zinc/27/93/82/860279382.db2.gz LGEUFETZQIDACD-LJQANCHMSA-N 1 1 393.487 3.935 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCCC1 ZINC000484783678 860347601 /nfs/dbraw/zinc/34/76/01/860347601.db2.gz ISRBEUXIKLRVRI-UHFFFAOYSA-N 1 1 385.411 3.581 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155054397 860380212 /nfs/dbraw/zinc/38/02/12/860380212.db2.gz SNYOXRXOJAWADQ-KRWDZBQOSA-N 1 1 398.463 3.509 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598559480 860396783 /nfs/dbraw/zinc/39/67/83/860396783.db2.gz HZLXRIPEGMRBQK-OAHLLOKOSA-N 1 1 377.510 3.559 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H]2CCCn3nccc32)cc1OC ZINC000603029743 860438105 /nfs/dbraw/zinc/43/81/05/860438105.db2.gz NDCPKJFRMLWBQQ-GDBMZVCRSA-N 1 1 388.468 3.850 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000155237864 860451475 /nfs/dbraw/zinc/45/14/75/860451475.db2.gz HYBORFYRXRXTRC-MRXNPFEDSA-N 1 1 392.459 3.813 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000130754735 860462409 /nfs/dbraw/zinc/46/24/09/860462409.db2.gz IMQVFGZHUFYBEQ-MJGOQNOKSA-N 1 1 392.477 3.642 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000130754735 860462416 /nfs/dbraw/zinc/46/24/16/860462416.db2.gz IMQVFGZHUFYBEQ-MJGOQNOKSA-N 1 1 392.477 3.642 20 5 GHBDMO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000429000959 860655924 /nfs/dbraw/zinc/65/59/24/860655924.db2.gz AORRXQQLAQVKAI-HWPZZCPQSA-N 1 1 383.217 3.881 20 5 GHBDMO CC[N@H+](C)Cc1cc(O[C@@H]2CCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593080 881565586 /nfs/dbraw/zinc/56/55/86/881565586.db2.gz ZIBRFOSCTRTZRQ-VQIMIIECSA-N 1 1 384.480 3.656 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593080 881565610 /nfs/dbraw/zinc/56/56/10/881565610.db2.gz ZIBRFOSCTRTZRQ-VQIMIIECSA-N 1 1 384.480 3.656 20 5 GHBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000494320274 881575085 /nfs/dbraw/zinc/57/50/85/881575085.db2.gz VIIDLBAUVGRJFA-UHFFFAOYSA-N 1 1 385.464 3.634 20 5 GHBDMO CCNc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000599074859 860781273 /nfs/dbraw/zinc/78/12/73/860781273.db2.gz UVPYUSRMNAGXCJ-SFHVURJKSA-N 1 1 386.452 3.577 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599078105 860782670 /nfs/dbraw/zinc/78/26/70/860782670.db2.gz GPYVJNPCLIPPNT-ZDUSSCGKSA-N 1 1 398.301 3.742 20 5 GHBDMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000185648812 860806942 /nfs/dbraw/zinc/80/69/42/860806942.db2.gz VLCSFFNJQWBIAG-LBPRGKRZSA-N 1 1 378.812 3.651 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]31)OCCO2 ZINC000593699069 860890012 /nfs/dbraw/zinc/89/00/12/860890012.db2.gz ZBEPSHDFOGJBHP-UFYCRDLUSA-N 1 1 396.443 3.861 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]31)OCCO2 ZINC000593699069 860890024 /nfs/dbraw/zinc/89/00/24/860890024.db2.gz ZBEPSHDFOGJBHP-UFYCRDLUSA-N 1 1 396.443 3.861 20 5 GHBDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000603603849 860891863 /nfs/dbraw/zinc/89/18/63/860891863.db2.gz XQFRAYFBADYYPR-ZTQAJYAQSA-N 1 1 386.448 3.716 20 5 GHBDMO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cc(OC)c(OC)c(OC)c1 ZINC000593705065 860940158 /nfs/dbraw/zinc/94/01/58/860940158.db2.gz KQRPLSDMDIYMRW-MRXNPFEDSA-N 1 1 390.436 3.870 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1C ZINC000899504225 860940822 /nfs/dbraw/zinc/94/08/22/860940822.db2.gz NBTNVXKGHYHZMN-CQSZACIVSA-N 1 1 388.493 3.822 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899508938 860945332 /nfs/dbraw/zinc/94/53/32/860945332.db2.gz UEQDWMZECMFHMG-KRWDZBQOSA-N 1 1 384.480 3.910 20 5 GHBDMO COc1ccccc1C[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000509093500 860990602 /nfs/dbraw/zinc/99/06/02/860990602.db2.gz IXEAKSJVKHBGNF-UHFFFAOYSA-N 1 1 382.416 3.858 20 5 GHBDMO COc1ccccc1C[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000509093500 860990611 /nfs/dbraw/zinc/99/06/11/860990611.db2.gz IXEAKSJVKHBGNF-UHFFFAOYSA-N 1 1 382.416 3.858 20 5 GHBDMO Cc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000302059737 861188435 /nfs/dbraw/zinc/18/84/35/861188435.db2.gz SJVISEGJBMXGNB-UHFFFAOYSA-N 1 1 392.257 3.668 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c([N+](=O)[O-])cc1OC ZINC000281526161 863073668 /nfs/dbraw/zinc/07/36/68/863073668.db2.gz IZLJCLOPBHWXSG-UHFFFAOYSA-N 1 1 393.827 3.579 20 5 GHBDMO C[C@@]1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@H+]1Cc1ccccc1 ZINC000428327960 863515462 /nfs/dbraw/zinc/51/54/62/863515462.db2.gz VRTXDWJKLSSMIY-QFIPXVFZSA-N 1 1 392.459 3.861 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H]1c1ccccc1 ZINC000444294478 863845413 /nfs/dbraw/zinc/84/54/13/863845413.db2.gz YOTQWGWNPXASRK-PKTZIBPZSA-N 1 1 397.478 3.857 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H]1c1ccccc1 ZINC000444294478 863845428 /nfs/dbraw/zinc/84/54/28/863845428.db2.gz YOTQWGWNPXASRK-PKTZIBPZSA-N 1 1 397.478 3.857 20 5 GHBDMO COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000237438771 864384253 /nfs/dbraw/zinc/38/42/53/864384253.db2.gz WQJDLVVAUNHHAK-UHFFFAOYSA-N 1 1 379.416 3.867 20 5 GHBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475215176 864584390 /nfs/dbraw/zinc/58/43/90/864584390.db2.gz QDKRHPMXQSHISH-CYBMUJFWSA-N 1 1 388.390 3.952 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475288232 864718981 /nfs/dbraw/zinc/71/89/81/864718981.db2.gz XVPWWGJCXXSQHJ-PXNSSMCTSA-N 1 1 396.491 3.880 20 5 GHBDMO CC(C)(C)OCCCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000475309796 864760446 /nfs/dbraw/zinc/76/04/46/864760446.db2.gz LJVJYTQGXZEMOC-UHFFFAOYSA-N 1 1 389.500 3.579 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173353496 881817720 /nfs/dbraw/zinc/81/77/20/881817720.db2.gz UCUUHGFOTHLYOP-CQSZACIVSA-N 1 1 391.493 3.522 20 5 GHBDMO COc1cc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc([N+](=O)[O-])c1C ZINC000480627481 864968316 /nfs/dbraw/zinc/96/83/16/864968316.db2.gz SOKKFXXLJFRZSP-UHFFFAOYSA-N 1 1 383.448 3.801 20 5 GHBDMO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000554834589 865014489 /nfs/dbraw/zinc/01/44/89/865014489.db2.gz JRYAKMHRWGRKQX-MRXNPFEDSA-N 1 1 387.480 3.578 20 5 GHBDMO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000554834589 865014500 /nfs/dbraw/zinc/01/45/00/865014500.db2.gz JRYAKMHRWGRKQX-MRXNPFEDSA-N 1 1 387.480 3.578 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)c3cc([N+](=O)[O-])ccc3C)CC[N@H+]2C)cc1 ZINC000735902257 865042137 /nfs/dbraw/zinc/04/21/37/865042137.db2.gz DEOMUYHLHCEHHF-OXJNMPFZSA-N 1 1 384.432 3.762 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@@H](Cc4ccc(F)cc4)C3)n2)c1 ZINC000736590619 865244721 /nfs/dbraw/zinc/24/47/21/865244721.db2.gz YVYXWZXYXMSNOG-INIZCTEOSA-N 1 1 381.411 3.515 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000555009837 865303727 /nfs/dbraw/zinc/30/37/27/865303727.db2.gz XTGWADPVEJOVHB-ZDUSSCGKSA-N 1 1 388.493 3.787 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000555009837 865303745 /nfs/dbraw/zinc/30/37/45/865303745.db2.gz XTGWADPVEJOVHB-ZDUSSCGKSA-N 1 1 388.493 3.787 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594195124 865341956 /nfs/dbraw/zinc/34/19/56/865341956.db2.gz CFEVLAHXINLBEU-IRXDYDNUSA-N 1 1 377.510 3.842 20 5 GHBDMO COc1cc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000173950689 865860111 /nfs/dbraw/zinc/86/01/11/865860111.db2.gz HZRLRBTZGPRVLZ-AWEZNQCLSA-N 1 1 387.427 3.511 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCCCC(F)(F)F)CC3)nc2c1 ZINC000481165412 865902865 /nfs/dbraw/zinc/90/28/65/865902865.db2.gz BNMVCAYYCYCUMA-UHFFFAOYSA-N 1 1 385.390 3.716 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000740884332 866074586 /nfs/dbraw/zinc/07/45/86/866074586.db2.gz VKVIKYQSIYZNMW-SWLSCSKDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000740884332 866074600 /nfs/dbraw/zinc/07/46/00/866074600.db2.gz VKVIKYQSIYZNMW-SWLSCSKDSA-N 1 1 383.876 3.983 20 5 GHBDMO CCn1cc(C[N@H+](CCO)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000475510898 866121288 /nfs/dbraw/zinc/12/12/88/866121288.db2.gz JUTQJXGDQLYFRA-UHFFFAOYSA-N 1 1 386.477 3.534 20 5 GHBDMO CCn1cc(C[N@@H+](CCO)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000475510898 866121294 /nfs/dbraw/zinc/12/12/94/866121294.db2.gz JUTQJXGDQLYFRA-UHFFFAOYSA-N 1 1 386.477 3.534 20 5 GHBDMO C[C@H]1C[C@H](N(C)c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000737414461 866212550 /nfs/dbraw/zinc/21/25/50/866212550.db2.gz ZGDVCJHTHOEWHI-FUHWJXTLSA-N 1 1 379.464 3.732 20 5 GHBDMO COc1ccc([C@H]2[C@@H](COC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000741123011 866247941 /nfs/dbraw/zinc/24/79/41/866247941.db2.gz DLNYUELDSSNNER-UZLBHIALSA-N 1 1 384.432 3.762 20 5 GHBDMO C[NH+](C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1Cl ZINC000552909551 866440700 /nfs/dbraw/zinc/44/07/00/866440700.db2.gz GDYZURHCBCFRAY-ZDUSSCGKSA-N 1 1 377.857 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c(F)c1 ZINC000491227272 866830830 /nfs/dbraw/zinc/83/08/30/866830830.db2.gz AZNZHKLFAJHFFE-UHFFFAOYSA-N 1 1 381.411 3.899 20 5 GHBDMO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-n2cccn2)c1 ZINC000183569487 866855408 /nfs/dbraw/zinc/85/54/08/866855408.db2.gz DHUQPNHKEICLFH-AWEZNQCLSA-N 1 1 390.403 3.681 20 5 GHBDMO C[C@H](c1ccccc1Br)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440487630 866933114 /nfs/dbraw/zinc/93/31/14/866933114.db2.gz LKLHDTWJSDACEI-OLZOCXBDSA-N 1 1 391.269 4.000 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444827543 867276054 /nfs/dbraw/zinc/27/60/54/867276054.db2.gz PJHHOEQFEKYHIG-GOSISDBHSA-N 1 1 397.478 3.686 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444827543 867276068 /nfs/dbraw/zinc/27/60/68/867276068.db2.gz PJHHOEQFEKYHIG-GOSISDBHSA-N 1 1 397.478 3.686 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)OCc1ccccc1 ZINC000793300086 882078126 /nfs/dbraw/zinc/07/81/26/882078126.db2.gz WDBAZMPIBVUFHK-MRXNPFEDSA-N 1 1 389.477 3.795 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)OCc1ccccc1 ZINC000793300086 882078134 /nfs/dbraw/zinc/07/81/34/882078134.db2.gz WDBAZMPIBVUFHK-MRXNPFEDSA-N 1 1 389.477 3.795 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)o2)c(Br)c1 ZINC000428384248 867554365 /nfs/dbraw/zinc/55/43/65/867554365.db2.gz WZIPTCVTLXYGKS-MRXNPFEDSA-N 1 1 393.237 3.574 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CNC(=S)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000743061944 867809566 /nfs/dbraw/zinc/80/95/66/867809566.db2.gz RYRRYCHPFFIGQW-FQEVSTJZSA-N 1 1 398.532 3.960 20 5 GHBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442720048 868376762 /nfs/dbraw/zinc/37/67/62/868376762.db2.gz RCKLEZQHIQSQLL-GJZGRUSLSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442720048 868376770 /nfs/dbraw/zinc/37/67/70/868376770.db2.gz RCKLEZQHIQSQLL-GJZGRUSLSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442720052 868378339 /nfs/dbraw/zinc/37/83/39/868378339.db2.gz RCKLEZQHIQSQLL-LSDHHAIUSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442720052 868378345 /nfs/dbraw/zinc/37/83/45/868378345.db2.gz RCKLEZQHIQSQLL-LSDHHAIUSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000442719249 868395699 /nfs/dbraw/zinc/39/56/99/868395699.db2.gz RKXKGFLMQZRKFO-CABCVRRESA-N 1 1 385.489 3.959 20 5 GHBDMO C[C@H](C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)CO)c1ccccc1 ZINC000553936479 868465657 /nfs/dbraw/zinc/46/56/57/868465657.db2.gz VEVXJBURNGNUQK-CVEARBPZSA-N 1 1 396.447 3.631 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000479883769 868679198 /nfs/dbraw/zinc/67/91/98/868679198.db2.gz GIXDCGKGSZUJPB-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000479883769 868679204 /nfs/dbraw/zinc/67/92/04/868679204.db2.gz GIXDCGKGSZUJPB-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000479886096 868681188 /nfs/dbraw/zinc/68/11/88/868681188.db2.gz KZBYMRZFRFAYPW-LJQANCHMSA-N 1 1 397.475 3.648 20 5 GHBDMO CC(C)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000445715241 868897818 /nfs/dbraw/zinc/89/78/18/868897818.db2.gz BHASCFMEIQQYNK-QFIPXVFZSA-N 1 1 395.503 3.727 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000535549670 868959681 /nfs/dbraw/zinc/95/96/81/868959681.db2.gz FORYLXFOGRHRTG-ROUUACIJSA-N 1 1 380.510 3.869 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](CO)C(C)C)cc1 ZINC000491261553 869274092 /nfs/dbraw/zinc/27/40/92/869274092.db2.gz UNUYWBIHPQXIRA-HXUWFJFHSA-N 1 1 388.464 3.631 20 5 GHBDMO O=C(N[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)c1cc2ccccc2o1 ZINC000440935966 869318388 /nfs/dbraw/zinc/31/83/88/869318388.db2.gz LROWYJYMUFLWJV-SFHVURJKSA-N 1 1 393.443 3.778 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)[C@H](C)C1 ZINC000462484574 869527414 /nfs/dbraw/zinc/52/74/14/869527414.db2.gz SKQFXPZDGDZOHA-SJLPKXTDSA-N 1 1 384.480 3.735 20 5 GHBDMO CC[C@]1(O)CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000428438837 869654611 /nfs/dbraw/zinc/65/46/11/869654611.db2.gz OFTWCJISOAOEDV-QFIPXVFZSA-N 1 1 392.459 3.794 20 5 GHBDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441021836 869763800 /nfs/dbraw/zinc/76/38/00/869763800.db2.gz BUPVYVKUVNXCFD-XIKOKIGWSA-N 1 1 389.839 3.511 20 5 GHBDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441021836 869763814 /nfs/dbraw/zinc/76/38/14/869763814.db2.gz BUPVYVKUVNXCFD-XIKOKIGWSA-N 1 1 389.839 3.511 20 5 GHBDMO COC(=O)c1cc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000462702792 869928967 /nfs/dbraw/zinc/92/89/67/869928967.db2.gz RHCAJWKBLGDJMK-CQSZACIVSA-N 1 1 389.477 3.635 20 5 GHBDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000462867080 870246272 /nfs/dbraw/zinc/24/62/72/870246272.db2.gz RJFYKCZPVUWWRM-INIZCTEOSA-N 1 1 395.253 3.963 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(F)cc3C(F)(F)F)C2)nc1 ZINC000538737747 870493831 /nfs/dbraw/zinc/49/38/31/870493831.db2.gz AIEQIKOHLADCNC-ZDUSSCGKSA-N 1 1 384.333 3.834 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)nc1 ZINC000538737747 870493851 /nfs/dbraw/zinc/49/38/51/870493851.db2.gz AIEQIKOHLADCNC-ZDUSSCGKSA-N 1 1 384.333 3.834 20 5 GHBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)C1 ZINC001169024859 871125946 /nfs/dbraw/zinc/12/59/46/871125946.db2.gz RPVNFBPLKXSUKD-NZSAHSFTSA-N 1 1 379.451 3.670 20 5 GHBDMO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)cc1[N+](=O)[O-] ZINC000539070448 871256189 /nfs/dbraw/zinc/25/61/89/871256189.db2.gz KPNJGCGOFHKZNQ-GFCCVEGCSA-N 1 1 387.827 3.688 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000463278546 871315856 /nfs/dbraw/zinc/31/58/56/871315856.db2.gz NRHYDYBQPCYADC-OXJNMPFZSA-N 1 1 396.491 3.650 20 5 GHBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000525779240 871425174 /nfs/dbraw/zinc/42/51/74/871425174.db2.gz QJIMUFSKVZQFLF-OAHLLOKOSA-N 1 1 387.402 3.608 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C)C1 ZINC000181789050 871478475 /nfs/dbraw/zinc/47/84/75/871478475.db2.gz BRPSHIOVGMLQRA-RISCZKNCSA-N 1 1 388.390 3.808 20 5 GHBDMO Cc1ccc([C@H](C)[NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1[N+](=O)[O-] ZINC000181843711 871551274 /nfs/dbraw/zinc/55/12/74/871551274.db2.gz ZOESJZWNTLEYDN-ZDUSSCGKSA-N 1 1 396.472 3.976 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000128104149 871795884 /nfs/dbraw/zinc/79/58/84/871795884.db2.gz AQBPCLSUZJZMFZ-HNNXBMFYSA-N 1 1 377.510 3.844 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598309 871914140 /nfs/dbraw/zinc/91/41/40/871914140.db2.gz UZNHVHXOEZKTSW-JTHBVZDNSA-N 1 1 395.503 3.853 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598309 871914148 /nfs/dbraw/zinc/91/41/48/871914148.db2.gz UZNHVHXOEZKTSW-JTHBVZDNSA-N 1 1 395.503 3.853 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763506214 872036531 /nfs/dbraw/zinc/03/65/31/872036531.db2.gz TVYQCTIWUBXYEW-SCLBCKFNSA-N 1 1 389.402 3.513 20 5 GHBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093277517 872039814 /nfs/dbraw/zinc/03/98/14/872039814.db2.gz ASQAKGLSPVXEQX-KRWDZBQOSA-N 1 1 385.489 3.910 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])C2)s1 ZINC000552133608 872073366 /nfs/dbraw/zinc/07/33/66/872073366.db2.gz OWTBZMYKSOBWGP-MRXNPFEDSA-N 1 1 387.505 3.867 20 5 GHBDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000093478298 872221494 /nfs/dbraw/zinc/22/14/94/872221494.db2.gz MCPWHAPHUDKQIZ-NRFANRHFSA-N 1 1 392.459 3.877 20 5 GHBDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000093478298 872221514 /nfs/dbraw/zinc/22/15/14/872221514.db2.gz MCPWHAPHUDKQIZ-NRFANRHFSA-N 1 1 392.459 3.877 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3ccc(OCC(=O)OC)c([N+](=O)[O-])c3)C2)cc1 ZINC000552273066 872363774 /nfs/dbraw/zinc/36/37/74/872363774.db2.gz QJQJUEQHWIAZHA-LJQANCHMSA-N 1 1 398.459 3.699 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](Cc4ccccc4)CC3)co2)cc1 ZINC000152952762 872508284 /nfs/dbraw/zinc/50/82/84/872508284.db2.gz ZLXKRHZMKWWDLF-UHFFFAOYSA-N 1 1 378.432 3.568 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC001195639588 872526375 /nfs/dbraw/zinc/52/63/75/872526375.db2.gz WCYHLWGVHBMEGY-INIZCTEOSA-N 1 1 375.469 3.977 20 5 GHBDMO COc1cccc2c1CC[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000182702978 872686142 /nfs/dbraw/zinc/68/61/42/872686142.db2.gz WCUPLWGYEFLBOL-UHFFFAOYSA-N 1 1 379.416 3.859 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000619569586 872746932 /nfs/dbraw/zinc/74/69/32/872746932.db2.gz UTCYHWJFRNXJTC-DPZWOIPNSA-N 1 1 390.480 3.613 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000619569430 872747074 /nfs/dbraw/zinc/74/70/74/872747074.db2.gz ANJLTHJGHGAYGT-AHRSYUTCSA-N 1 1 389.496 3.637 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c(Cl)c1 ZINC000541118295 872988418 /nfs/dbraw/zinc/98/84/18/872988418.db2.gz PRVUUNALQNGNTG-OAHLLOKOSA-N 1 1 385.645 3.834 20 5 GHBDMO COc1cccc([C@@H]2CC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2(C)C)c1 ZINC001197423292 873804123 /nfs/dbraw/zinc/80/41/23/873804123.db2.gz VDDZPJLMNGDXOM-FQEVSTJZSA-N 1 1 397.475 3.834 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000769304667 873952673 /nfs/dbraw/zinc/95/26/73/873952673.db2.gz AOIYDBMQOYWVOE-GOSISDBHSA-N 1 1 397.475 3.948 20 5 GHBDMO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000464501264 873985885 /nfs/dbraw/zinc/98/58/85/873985885.db2.gz VFBNQMGBNRPQBC-MRXNPFEDSA-N 1 1 378.469 3.936 20 5 GHBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000464501264 873985897 /nfs/dbraw/zinc/98/58/97/873985897.db2.gz VFBNQMGBNRPQBC-MRXNPFEDSA-N 1 1 378.469 3.936 20 5 GHBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1[N+](=O)[O-] ZINC000769462023 874085909 /nfs/dbraw/zinc/08/59/09/874085909.db2.gz FMPYUEPJRMUWEM-HNNXBMFYSA-N 1 1 385.424 3.708 20 5 GHBDMO Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000153022168 874191139 /nfs/dbraw/zinc/19/11/39/874191139.db2.gz GSJXBNUWUXLEPY-MRXNPFEDSA-N 1 1 382.464 3.807 20 5 GHBDMO O=C1[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCN1c1ccccc1 ZINC000464782834 874485870 /nfs/dbraw/zinc/48/58/70/874485870.db2.gz BAUBVNGAWFWNPW-NRFANRHFSA-N 1 1 395.459 3.634 20 5 GHBDMO CCN(C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000464784233 874489769 /nfs/dbraw/zinc/48/97/69/874489769.db2.gz CWMIGPYSIHLOMP-QGZVFWFLSA-N 1 1 397.475 3.880 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000449360214 874782291 /nfs/dbraw/zinc/78/22/91/874782291.db2.gz HNUIWLHJKJZVAC-HNAYVOBHSA-N 1 1 380.473 3.897 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000449465856 874920791 /nfs/dbraw/zinc/92/07/91/874920791.db2.gz FJQNTLVRVRZZIO-IBGZPJMESA-N 1 1 377.391 3.565 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000449465856 874920800 /nfs/dbraw/zinc/92/08/00/874920800.db2.gz FJQNTLVRVRZZIO-IBGZPJMESA-N 1 1 377.391 3.565 20 5 GHBDMO CC(=O)Nc1ccc(C[NH+]2CCC(NCc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000449523636 874998049 /nfs/dbraw/zinc/99/80/49/874998049.db2.gz OCRVKIGRHUSCLF-UHFFFAOYSA-N 1 1 396.491 3.616 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000465068183 875025411 /nfs/dbraw/zinc/02/54/11/875025411.db2.gz RIJIPZNUBYCXKB-OAHLLOKOSA-N 1 1 384.436 3.959 20 5 GHBDMO Cn1cc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443788094 875774989 /nfs/dbraw/zinc/77/49/89/875774989.db2.gz KLGOLUDIDUIMLD-UHFFFAOYSA-N 1 1 384.480 3.919 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001201880844 875920347 /nfs/dbraw/zinc/92/03/47/875920347.db2.gz FNHOUGSHXYZJTG-MRXNPFEDSA-N 1 1 376.254 3.634 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001201880844 875920352 /nfs/dbraw/zinc/92/03/52/875920352.db2.gz FNHOUGSHXYZJTG-MRXNPFEDSA-N 1 1 376.254 3.634 20 5 GHBDMO COc1ccc(OCCN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397870 875933174 /nfs/dbraw/zinc/93/31/74/875933174.db2.gz RJCMYHOPULFRBJ-ROUUACIJSA-N 1 1 391.512 3.569 20 5 GHBDMO CCOc1cc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000776277979 876152063 /nfs/dbraw/zinc/15/20/63/876152063.db2.gz RWXRKPPCPGOHFM-INIZCTEOSA-N 1 1 396.390 3.760 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2csc(NC3CC[NH+](Cc4ccccn4)CC3)n2)cc1 ZINC000450261838 876183026 /nfs/dbraw/zinc/18/30/26/876183026.db2.gz PVNKJTIYBRQEBO-UHFFFAOYSA-N 1 1 395.488 3.612 20 5 GHBDMO Cc1cccc(-c2nnc([C@H](C)[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)o2)c1 ZINC000785859008 876309631 /nfs/dbraw/zinc/30/96/31/876309631.db2.gz YVEJGGLEODLQCS-AWEZNQCLSA-N 1 1 382.424 3.548 20 5 GHBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450385253 876361118 /nfs/dbraw/zinc/36/11/18/876361118.db2.gz CSASXXUTWPGUIX-AWEZNQCLSA-N 1 1 383.477 3.911 20 5 GHBDMO O=C([C@@H]1CC12CC[NH+](Cc1c(Cl)cccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000492177395 876380446 /nfs/dbraw/zinc/38/04/46/876380446.db2.gz YRLZTKIPPFBVHQ-INIZCTEOSA-N 1 1 391.899 3.863 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450416360 876400132 /nfs/dbraw/zinc/40/01/32/876400132.db2.gz FYPJXRUXTRZFMF-UHFFFAOYSA-N 1 1 386.496 3.718 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000537677299 883116384 /nfs/dbraw/zinc/11/63/84/883116384.db2.gz FGGIBXMTJSVZPY-VQIMIIECSA-N 1 1 381.476 3.913 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000031006287 877746380 /nfs/dbraw/zinc/74/63/80/877746380.db2.gz YXHJYDBXDBIQEG-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000068080035 877877189 /nfs/dbraw/zinc/87/71/89/877877189.db2.gz ORGOFOTXFWLJLF-MRXNPFEDSA-N 1 1 399.495 3.623 20 5 GHBDMO Cc1noc(C[N@@H+]2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000851741064 877889607 /nfs/dbraw/zinc/88/96/07/877889607.db2.gz AEQNEBWVGSQNED-GJZGRUSLSA-N 1 1 394.472 3.503 20 5 GHBDMO Cc1noc(C[N@H+]2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000851741064 877889614 /nfs/dbraw/zinc/88/96/14/877889614.db2.gz AEQNEBWVGSQNED-GJZGRUSLSA-N 1 1 394.472 3.503 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000852035960 878044152 /nfs/dbraw/zinc/04/41/52/878044152.db2.gz RLISCDHCDKLVNR-UHFFFAOYSA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000852035960 878044171 /nfs/dbraw/zinc/04/41/71/878044171.db2.gz RLISCDHCDKLVNR-UHFFFAOYSA-N 1 1 379.432 3.709 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248660110 912317682 /nfs/dbraw/zinc/31/76/82/912317682.db2.gz DCNWOFBKKSBTPV-OALUTQOASA-N 1 1 383.496 3.611 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152458195 878552838 /nfs/dbraw/zinc/55/28/38/878552838.db2.gz YBGMMRUAQPXJFD-MRXNPFEDSA-N 1 1 377.828 3.798 20 5 GHBDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000789366538 878902490 /nfs/dbraw/zinc/90/24/90/878902490.db2.gz OWTYOJCQYKKBEU-HNNXBMFYSA-N 1 1 385.420 3.623 20 5 GHBDMO CN(C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000538175821 878979719 /nfs/dbraw/zinc/97/97/19/878979719.db2.gz GDHVLLQVRHBBNC-INIZCTEOSA-N 1 1 381.354 3.841 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000538259587 879139099 /nfs/dbraw/zinc/13/90/99/879139099.db2.gz IYSSWEFLNVFRKO-MRXNPFEDSA-N 1 1 393.390 3.951 20 5 GHBDMO NC(=O)[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 ZINC000130858575 879189483 /nfs/dbraw/zinc/18/94/83/879189483.db2.gz NMJHMVNXIAJPNJ-GOSISDBHSA-N 1 1 385.420 3.779 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000617344251 879612513 /nfs/dbraw/zinc/61/25/13/879612513.db2.gz DWYFPOFGACEYTO-AWEZNQCLSA-N 1 1 399.441 3.562 20 5 GHBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001202490175 879634624 /nfs/dbraw/zinc/63/46/24/879634624.db2.gz MECHTDAFTFDRIX-NSHDSACASA-N 1 1 376.379 3.856 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493937297 879747835 /nfs/dbraw/zinc/74/78/35/879747835.db2.gz OYZHCTKNQVFXJY-QAPCUYQASA-N 1 1 395.793 3.588 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461420504 879773198 /nfs/dbraw/zinc/77/31/98/879773198.db2.gz BAGKLZLNXHOEBP-DLBZAZTESA-N 1 1 399.878 3.842 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000774630376 912503788 /nfs/dbraw/zinc/50/37/88/912503788.db2.gz FPPDKHVKBYNBTJ-LJQANCHMSA-N 1 1 394.830 3.964 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000855734473 880706215 /nfs/dbraw/zinc/70/62/15/880706215.db2.gz DRXVVOKHJXHSPV-INIZCTEOSA-N 1 1 387.867 3.637 20 5 GHBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000453275078 880760183 /nfs/dbraw/zinc/76/01/83/880760183.db2.gz HBIZGLGXYNWIQG-GVDBMIGSSA-N 1 1 399.516 3.747 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000113899630 880950988 /nfs/dbraw/zinc/95/09/88/880950988.db2.gz LNGCLSXCDWTRMQ-GJZGRUSLSA-N 1 1 379.888 3.975 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000499110946 881158782 /nfs/dbraw/zinc/15/87/82/881158782.db2.gz MAQRTRROKOBYDS-YLJYHZDGSA-N 1 1 396.491 3.533 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000499110946 881158790 /nfs/dbraw/zinc/15/87/90/881158790.db2.gz MAQRTRROKOBYDS-YLJYHZDGSA-N 1 1 396.491 3.533 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000499118007 881189773 /nfs/dbraw/zinc/18/97/73/881189773.db2.gz ZXEDVAOIFYPICD-QKLQHJQFSA-N 1 1 396.491 3.926 20 5 GHBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000919965553 881297281 /nfs/dbraw/zinc/29/72/81/881297281.db2.gz KNWXGTQVMCXCPV-IBGZPJMESA-N 1 1 387.867 3.871 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000155147834 881297320 /nfs/dbraw/zinc/29/73/20/881297320.db2.gz TZTHKPBVUYFHFO-BXUZGUMPSA-N 1 1 399.289 3.551 20 5 GHBDMO Cc1cccc(C(=O)NCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000609598727 883401079 /nfs/dbraw/zinc/40/10/79/883401079.db2.gz DADQXFZKCFLYQA-UHFFFAOYSA-N 1 1 396.472 3.546 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301230823 883433035 /nfs/dbraw/zinc/43/30/35/883433035.db2.gz JGSFEHMAIRGTCG-BBWFWOEESA-N 1 1 388.512 3.609 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001130124442 883678120 /nfs/dbraw/zinc/67/81/20/883678120.db2.gz FMFXSJDMGUXCEI-BEFAXECRSA-N 1 1 385.851 3.595 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001130668302 884807042 /nfs/dbraw/zinc/80/70/42/884807042.db2.gz HDZMFSDBNPIWSW-RCCFBDPRSA-N 1 1 381.476 3.647 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]Cc2nnc3n2CCC3)cc1 ZINC000237733138 884829556 /nfs/dbraw/zinc/82/95/56/884829556.db2.gz UXQCVAGUIYTCNQ-UHFFFAOYSA-N 1 1 399.838 3.868 20 5 GHBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](C)Cc1ccsc1 ZINC000495227787 884839161 /nfs/dbraw/zinc/83/91/61/884839161.db2.gz IFUWJTZMRQTXBP-CQSZACIVSA-N 1 1 389.477 3.907 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cn1 ZINC000761918542 884974820 /nfs/dbraw/zinc/97/48/20/884974820.db2.gz OLLIQEGSGSZOOB-NSHDSACASA-N 1 1 394.366 3.825 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c2ccc([N+](=O)[O-])cc12 ZINC000774701072 912918846 /nfs/dbraw/zinc/91/88/46/912918846.db2.gz GPHWCEICPITBQT-NRFANRHFSA-N 1 1 378.432 3.732 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c2ccc([N+](=O)[O-])cc12 ZINC000774701072 912918861 /nfs/dbraw/zinc/91/88/61/912918861.db2.gz GPHWCEICPITBQT-NRFANRHFSA-N 1 1 378.432 3.732 20 5 GHBDMO CCC[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090522335 885433631 /nfs/dbraw/zinc/43/36/31/885433631.db2.gz PMRCRNRCKCJVBE-ACRUOGEOSA-N 1 1 375.513 3.794 20 5 GHBDMO C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272256456 885514525 /nfs/dbraw/zinc/51/45/25/885514525.db2.gz JEBCCYXOALYVCF-ZBFHGGJFSA-N 1 1 387.867 3.889 20 5 GHBDMO COc1cc(C[NH2+]Cc2cccc(O)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000171134008 885746088 /nfs/dbraw/zinc/74/60/88/885746088.db2.gz BVXMUMYWKQXIIU-UHFFFAOYSA-N 1 1 386.326 3.540 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861741485 885814802 /nfs/dbraw/zinc/81/48/02/885814802.db2.gz OUXRMTTUMFZDKJ-UHFFFAOYSA-N 1 1 392.459 3.737 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000532486975 885819750 /nfs/dbraw/zinc/81/97/50/885819750.db2.gz RIVIBZKLBQNGGY-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000532486975 885819759 /nfs/dbraw/zinc/81/97/59/885819759.db2.gz RIVIBZKLBQNGGY-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000808059327 885962262 /nfs/dbraw/zinc/96/22/62/885962262.db2.gz BPYULRLQBXLEEB-OPUMOTSWSA-N 1 1 399.516 3.958 20 5 GHBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000747468437 886157678 /nfs/dbraw/zinc/15/76/78/886157678.db2.gz RJIVGEXSJDGVCC-SJLPKXTDSA-N 1 1 377.448 3.764 20 5 GHBDMO C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272304336 887080777 /nfs/dbraw/zinc/08/07/77/887080777.db2.gz JMMQIXSDPLGSQL-PKOBYXMFSA-N 1 1 396.491 3.647 20 5 GHBDMO O=C(C[N@@H+](C1CC1)[C@H]1CCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532657251 887141968 /nfs/dbraw/zinc/14/19/68/887141968.db2.gz MTWLZHKUTXPYHP-FQEVSTJZSA-N 1 1 377.444 3.636 20 5 GHBDMO C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000272527014 887632725 /nfs/dbraw/zinc/63/27/25/887632725.db2.gz MFWUVKDIUMDTDE-DYESRHJHSA-N 1 1 393.491 3.528 20 5 GHBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000809697287 887676222 /nfs/dbraw/zinc/67/62/22/887676222.db2.gz YTLSSKGSKGUWQO-KRWDZBQOSA-N 1 1 398.337 3.782 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272540285 887678985 /nfs/dbraw/zinc/67/89/85/887678985.db2.gz OXKFINYPWIIKKQ-PMACEKPBSA-N 1 1 392.459 3.521 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1Cl ZINC000809791454 887844339 /nfs/dbraw/zinc/84/43/39/887844339.db2.gz ZGUCJNZUDFRUGP-LJQANCHMSA-N 1 1 378.831 3.814 20 5 GHBDMO C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1Cc1ccccc1 ZINC000809916396 887942408 /nfs/dbraw/zinc/94/24/08/887942408.db2.gz IRHPUGMIFJXEGI-OAHLLOKOSA-N 1 1 388.855 3.639 20 5 GHBDMO C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1Cc1ccccc1 ZINC000809916396 887942419 /nfs/dbraw/zinc/94/24/19/887942419.db2.gz IRHPUGMIFJXEGI-OAHLLOKOSA-N 1 1 388.855 3.639 20 5 GHBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000174820349 888079128 /nfs/dbraw/zinc/07/91/28/888079128.db2.gz XAMVAXZEHYCXQF-AWEZNQCLSA-N 1 1 379.888 3.719 20 5 GHBDMO COc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000194336910 888225470 /nfs/dbraw/zinc/22/54/70/888225470.db2.gz BYFLEEJAYMOVBI-AYHJJNSGSA-N 1 1 395.459 3.529 20 5 GHBDMO C[C@@H]1Cc2c([nH+]cn2Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000865369106 888315921 /nfs/dbraw/zinc/31/59/21/888315921.db2.gz JOABELWMVDSHAC-WDEREUQCSA-N 1 1 387.827 3.914 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2ccccc21 ZINC000729684867 888594191 /nfs/dbraw/zinc/59/41/91/888594191.db2.gz IUAXSCDYEKNEDM-UHFFFAOYSA-N 1 1 377.400 3.534 20 5 GHBDMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC000509672009 888758590 /nfs/dbraw/zinc/75/85/90/888758590.db2.gz HPGDSNMGHCRXQV-CQSZACIVSA-N 1 1 391.418 3.760 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866235965 888791691 /nfs/dbraw/zinc/79/16/91/888791691.db2.gz QACKMXMYVJZUSV-GOSISDBHSA-N 1 1 399.466 3.647 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000796112222 913290420 /nfs/dbraw/zinc/29/04/20/913290420.db2.gz HHAUXRIYSIBOOI-UHFFFAOYSA-N 1 1 378.428 3.864 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000272765504 888975713 /nfs/dbraw/zinc/97/57/13/888975713.db2.gz BFOCANHESVKEQX-UHFFFAOYSA-N 1 1 378.473 3.579 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000154024593 889066283 /nfs/dbraw/zinc/06/62/83/889066283.db2.gz YBAOQZDAEGVAFS-OAHLLOKOSA-N 1 1 389.521 3.844 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000496854245 889118845 /nfs/dbraw/zinc/11/88/45/889118845.db2.gz QFGSIYKZVYZXNM-MRXNPFEDSA-N 1 1 383.448 3.713 20 5 GHBDMO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001132621308 889201982 /nfs/dbraw/zinc/20/19/82/889201982.db2.gz DNHVCYTUILVJKM-KRWDZBQOSA-N 1 1 391.487 3.925 20 5 GHBDMO C[C@@]([NH3+])(C(=O)Nc1cccc(C2SCCS2)c1)c1cccc([N+](=O)[O-])c1 ZINC000867943923 889232399 /nfs/dbraw/zinc/23/23/99/889232399.db2.gz KIUGFSRRCJQYRC-SFHVURJKSA-N 1 1 389.502 3.886 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000532969108 889409523 /nfs/dbraw/zinc/40/95/23/889409523.db2.gz HEVCXYXAZIUYHK-YJBOKZPZSA-N 1 1 383.448 3.668 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000532969108 889409528 /nfs/dbraw/zinc/40/95/28/889409528.db2.gz HEVCXYXAZIUYHK-YJBOKZPZSA-N 1 1 383.448 3.668 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000532969106 889409643 /nfs/dbraw/zinc/40/96/43/889409643.db2.gz HEVCXYXAZIUYHK-MAUKXSAKSA-N 1 1 383.448 3.668 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000532969106 889409663 /nfs/dbraw/zinc/40/96/63/889409663.db2.gz HEVCXYXAZIUYHK-MAUKXSAKSA-N 1 1 383.448 3.668 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000533281900 890178028 /nfs/dbraw/zinc/17/80/28/890178028.db2.gz XMNLFDSYRBGEIM-MRXNPFEDSA-N 1 1 385.464 3.803 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000533311988 890227732 /nfs/dbraw/zinc/22/77/32/890227732.db2.gz UDQQKULVIVRKCE-CYBMUJFWSA-N 1 1 390.440 3.760 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000533311988 890227747 /nfs/dbraw/zinc/22/77/47/890227747.db2.gz UDQQKULVIVRKCE-CYBMUJFWSA-N 1 1 390.440 3.760 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000795103194 890266453 /nfs/dbraw/zinc/26/64/53/890266453.db2.gz PMZIBAUMORFKHL-CZUORRHYSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000795103194 890266465 /nfs/dbraw/zinc/26/64/65/890266465.db2.gz PMZIBAUMORFKHL-CZUORRHYSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000795131124 890417193 /nfs/dbraw/zinc/41/71/93/890417193.db2.gz MJGHPZZUDKKBOE-CZUORRHYSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000795131124 890417200 /nfs/dbraw/zinc/41/72/00/890417200.db2.gz MJGHPZZUDKKBOE-CZUORRHYSA-N 1 1 379.432 3.565 20 5 GHBDMO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000812370210 890575522 /nfs/dbraw/zinc/57/55/22/890575522.db2.gz ZQOITSMEDPVJFA-SFHVURJKSA-N 1 1 396.491 3.518 20 5 GHBDMO C[N@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000747803931 890883157 /nfs/dbraw/zinc/88/31/57/890883157.db2.gz IMCLVAGPGWELKK-JXFKEZNVSA-N 1 1 397.431 3.560 20 5 GHBDMO C[N@@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000747803931 890883165 /nfs/dbraw/zinc/88/31/65/890883165.db2.gz IMCLVAGPGWELKK-JXFKEZNVSA-N 1 1 397.431 3.560 20 5 GHBDMO C[N@@H+](CCc1cccc(Br)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000812907432 891092498 /nfs/dbraw/zinc/09/24/98/891092498.db2.gz MZZXXZFPRGGXEO-QGZVFWFLSA-N 1 1 379.254 3.565 20 5 GHBDMO COCCOc1ncccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872021324 891121164 /nfs/dbraw/zinc/12/11/64/891121164.db2.gz BKLDXTQAVPMSBJ-ZDUSSCGKSA-N 1 1 377.466 3.588 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278775 891224735 /nfs/dbraw/zinc/22/47/35/891224735.db2.gz AIEDWYBXFSXIRQ-SFHVURJKSA-N 1 1 375.469 3.655 20 5 GHBDMO COc1cccc([C@@H](C)CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813173020 891331099 /nfs/dbraw/zinc/33/10/99/891331099.db2.gz VVEXWGHQUHJELC-KKSFZXQISA-N 1 1 398.459 3.915 20 5 GHBDMO COc1cccc([C@@H](C)CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813173020 891331115 /nfs/dbraw/zinc/33/11/15/891331115.db2.gz VVEXWGHQUHJELC-KKSFZXQISA-N 1 1 398.459 3.915 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c(F)c1 ZINC000497431941 891566859 /nfs/dbraw/zinc/56/68/59/891566859.db2.gz GXTBKKOXADRAQH-FOIQADDNSA-N 1 1 386.427 3.623 20 5 GHBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000813492221 891648240 /nfs/dbraw/zinc/64/82/40/891648240.db2.gz KLDQUHQPILUPDU-ZBEGNZNMSA-N 1 1 398.290 3.991 20 5 GHBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000016554772 891957504 /nfs/dbraw/zinc/95/75/04/891957504.db2.gz LTJVQRFRTDJSKE-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000016554772 891957514 /nfs/dbraw/zinc/95/75/14/891957514.db2.gz LTJVQRFRTDJSKE-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(Cc4ccccn4)CC3)o2)c1 ZINC000121957791 891965619 /nfs/dbraw/zinc/96/56/19/891965619.db2.gz WRIZZFNYHVYEKW-UHFFFAOYSA-N 1 1 378.432 3.568 20 5 GHBDMO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000774830837 913676848 /nfs/dbraw/zinc/67/68/48/913676848.db2.gz DNTOFKCQMXWIQU-LJQANCHMSA-N 1 1 389.883 3.720 20 5 GHBDMO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000498012360 892948692 /nfs/dbraw/zinc/94/86/92/892948692.db2.gz NSJNTBWNZMPPRT-LPHOPBHVSA-N 1 1 397.475 3.901 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]2C1 ZINC000814675991 893058415 /nfs/dbraw/zinc/05/84/15/893058415.db2.gz DSJFIYQATYWQDH-CALCHBBNSA-N 1 1 375.469 3.674 20 5 GHBDMO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000536826039 893900379 /nfs/dbraw/zinc/90/03/79/893900379.db2.gz HVWPEGZOOHTQAO-CYBMUJFWSA-N 1 1 397.522 3.538 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)o1 ZINC000878114260 894029958 /nfs/dbraw/zinc/02/99/58/894029958.db2.gz HBCLQVKZWAIWNP-QGZVFWFLSA-N 1 1 382.445 3.935 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)o1 ZINC000878114260 894029976 /nfs/dbraw/zinc/02/99/76/894029976.db2.gz HBCLQVKZWAIWNP-QGZVFWFLSA-N 1 1 382.445 3.935 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563759029 894154389 /nfs/dbraw/zinc/15/43/89/894154389.db2.gz VPEOIJRNWLETFG-DYESRHJHSA-N 1 1 396.491 3.606 20 5 GHBDMO Cc1ccc(C2CC[NH+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)CC2)cn1 ZINC000878401218 894261618 /nfs/dbraw/zinc/26/16/18/894261618.db2.gz NLHQPARPWVHHCU-UHFFFAOYSA-N 1 1 379.420 3.728 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000935310365 894352292 /nfs/dbraw/zinc/35/22/92/894352292.db2.gz VCAFFEIJNHCBRU-UHFFFAOYSA-N 1 1 386.477 3.550 20 5 GHBDMO CO[C@]1(C)CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878540073 894371226 /nfs/dbraw/zinc/37/12/26/894371226.db2.gz FLZWFQBTTVQUII-QGZVFWFLSA-N 1 1 380.832 3.689 20 5 GHBDMO CO[C@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C12CCC2 ZINC000878684547 894508023 /nfs/dbraw/zinc/50/80/23/894508023.db2.gz JANROQOXQVBQQH-GJZGRUSLSA-N 1 1 392.843 3.688 20 5 GHBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C12CCC2 ZINC000878684547 894508036 /nfs/dbraw/zinc/50/80/36/894508036.db2.gz JANROQOXQVBQQH-GJZGRUSLSA-N 1 1 392.843 3.688 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000816453774 894815088 /nfs/dbraw/zinc/81/50/88/894815088.db2.gz UPTRROIJUSRFSZ-DYESRHJHSA-N 1 1 382.460 3.981 20 5 GHBDMO C[C@H]1C[C@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000564526705 895054116 /nfs/dbraw/zinc/05/41/16/895054116.db2.gz FCXXBAJCMOFTRU-IUCAKERBSA-N 1 1 380.317 3.681 20 5 GHBDMO COc1cc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(F)cc1[N+](=O)[O-] ZINC000564553331 895076287 /nfs/dbraw/zinc/07/62/87/895076287.db2.gz VZRUSDMKBXRLRV-CQSZACIVSA-N 1 1 389.427 3.575 20 5 GHBDMO COc1cc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(F)cc1[N+](=O)[O-] ZINC000564553331 895076298 /nfs/dbraw/zinc/07/62/98/895076298.db2.gz VZRUSDMKBXRLRV-CQSZACIVSA-N 1 1 389.427 3.575 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000138464502 895202679 /nfs/dbraw/zinc/20/26/79/895202679.db2.gz RIVIBZKLBQNGGY-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000138464502 895202689 /nfs/dbraw/zinc/20/26/89/895202689.db2.gz RIVIBZKLBQNGGY-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000564714821 895205963 /nfs/dbraw/zinc/20/59/63/895205963.db2.gz NWZRRBDXFDSISF-MRXNPFEDSA-N 1 1 381.476 3.651 20 5 GHBDMO COC(=O)Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001185554459 913949221 /nfs/dbraw/zinc/94/92/21/913949221.db2.gz BXLBVVQLDMKFKW-LPHOPBHVSA-N 1 1 397.475 3.633 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3CC[N@@H+](CC4CCCC4)C3)c2c1 ZINC001185564749 913957120 /nfs/dbraw/zinc/95/71/20/913957120.db2.gz AZWLDZDTBLAWMY-CYBMUJFWSA-N 1 1 375.860 3.868 20 5 GHBDMO CCOc1cc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000888835790 895857359 /nfs/dbraw/zinc/85/73/59/895857359.db2.gz CKBRKRVZPJBGPU-UHFFFAOYSA-N 1 1 378.473 3.578 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001136192741 896399040 /nfs/dbraw/zinc/39/90/40/896399040.db2.gz PUYCMXGWNGUWME-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000566851313 896634622 /nfs/dbraw/zinc/63/46/22/896634622.db2.gz BBDPQGCTLSSYGC-LBPRGKRZSA-N 1 1 388.493 3.950 20 5 GHBDMO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)C1 ZINC001136252263 896903923 /nfs/dbraw/zinc/90/39/23/896903923.db2.gz GEOMFJIJBCMTPX-HOTGVXAUSA-N 1 1 397.475 3.708 20 5 GHBDMO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001185818884 914127628 /nfs/dbraw/zinc/12/76/28/914127628.db2.gz FFJOAICZYFGVKO-WMQOHFFWSA-N 1 1 399.422 3.777 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000820687018 897465385 /nfs/dbraw/zinc/46/53/85/897465385.db2.gz OUMMEXZHDKEGHH-HNNXBMFYSA-N 1 1 393.846 3.956 20 5 GHBDMO COc1ccc(OCC[N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000102690213 898023810 /nfs/dbraw/zinc/02/38/10/898023810.db2.gz BKRSMTOSMOUNME-CQSZACIVSA-N 1 1 398.419 3.725 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000102690213 898023817 /nfs/dbraw/zinc/02/38/17/898023817.db2.gz BKRSMTOSMOUNME-CQSZACIVSA-N 1 1 398.419 3.725 20 5 GHBDMO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[nH+]1 ZINC001136758301 899168171 /nfs/dbraw/zinc/16/81/71/899168171.db2.gz RNNBJUFRHGGKGE-AWEZNQCLSA-N 1 1 388.855 3.977 20 5 GHBDMO C[NH+](C)CC(C)(C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001202676359 899169192 /nfs/dbraw/zinc/16/91/92/899169192.db2.gz KZIBLGZRXVSNLW-UHFFFAOYSA-N 1 1 393.491 3.877 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](c4nnc5n4CCC5)C3)o2)c1 ZINC000119846346 899693679 /nfs/dbraw/zinc/69/36/79/899693679.db2.gz VOLQJOYYJLTQDC-INIZCTEOSA-N 1 1 393.447 3.772 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000843858641 900254339 /nfs/dbraw/zinc/25/43/39/900254339.db2.gz SHPPTKBUBIFICJ-LJQANCHMSA-N 1 1 385.439 3.683 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000843909127 900323747 /nfs/dbraw/zinc/32/37/47/900323747.db2.gz USPAOBJRGMSQFW-UHFFFAOYSA-N 1 1 392.456 3.908 20 5 GHBDMO O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136986988 900773527 /nfs/dbraw/zinc/77/35/27/900773527.db2.gz DTPGUPYJHWSCDH-LJQANCHMSA-N 1 1 388.851 3.877 20 5 GHBDMO Cc1c(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000575028536 901095585 /nfs/dbraw/zinc/09/55/85/901095585.db2.gz DJUYDBAGPGYONE-JTQLQIEISA-N 1 1 387.278 3.516 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047228188 901633685 /nfs/dbraw/zinc/63/36/85/901633685.db2.gz YONGCJSOVOXLLD-UHFFFAOYSA-N 1 1 379.401 3.951 20 5 GHBDMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123826298 901985060 /nfs/dbraw/zinc/98/50/60/901985060.db2.gz QYCJAEQHXNESDS-UGSOOPFHSA-N 1 1 391.830 3.810 20 5 GHBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123826298 901985066 /nfs/dbraw/zinc/98/50/66/901985066.db2.gz QYCJAEQHXNESDS-UGSOOPFHSA-N 1 1 391.830 3.810 20 5 GHBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])C2)C1 ZINC000576489788 902050211 /nfs/dbraw/zinc/05/02/11/902050211.db2.gz OXDNZWJQAPHSEN-NRFANRHFSA-N 1 1 397.500 3.914 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000778971957 902373882 /nfs/dbraw/zinc/37/38/82/902373882.db2.gz CYJSWGXWUAMPOO-HZPDHXFCSA-N 1 1 393.484 3.599 20 5 GHBDMO O=C(c1cc(F)ccc1F)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000047797024 902439663 /nfs/dbraw/zinc/43/96/63/902439663.db2.gz BHUIKIZVISZMRP-UHFFFAOYSA-N 1 1 390.386 3.847 20 5 GHBDMO CNC(=O)c1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000577044228 902459231 /nfs/dbraw/zinc/45/92/31/902459231.db2.gz DXUMGMCPQXHURJ-UHFFFAOYSA-N 1 1 381.354 3.605 20 5 GHBDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000577044228 902459239 /nfs/dbraw/zinc/45/92/39/902459239.db2.gz DXUMGMCPQXHURJ-UHFFFAOYSA-N 1 1 381.354 3.605 20 5 GHBDMO Cc1cc(C)c(CS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000600891658 903056817 /nfs/dbraw/zinc/05/68/17/903056817.db2.gz ZAARLKIYCKPJTO-UHFFFAOYSA-N 1 1 399.266 3.651 20 5 GHBDMO O=C([C@H]1CC12CCN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)CC2)N1CCCCC1 ZINC000601136449 903377113 /nfs/dbraw/zinc/37/71/13/903377113.db2.gz DMBKZYMTROMGPF-GOSISDBHSA-N 1 1 394.475 3.762 20 5 GHBDMO CCc1csc(CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)n1 ZINC000847035585 903388312 /nfs/dbraw/zinc/38/83/12/903388312.db2.gz QORUOCDDQFPCHU-UHFFFAOYSA-N 1 1 390.465 3.977 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cc2)C1 ZINC000601267138 903518026 /nfs/dbraw/zinc/51/80/26/903518026.db2.gz HFDXNGIRZHKKRJ-CQSZACIVSA-N 1 1 387.411 3.707 20 5 GHBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000579052335 904317928 /nfs/dbraw/zinc/31/79/28/904317928.db2.gz FCTZMYAFDJTTKP-KRWDZBQOSA-N 1 1 392.427 3.744 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000303500144 914866607 /nfs/dbraw/zinc/86/66/07/914866607.db2.gz NAHBEHIOOKVMJM-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000303500144 914866628 /nfs/dbraw/zinc/86/66/28/914866628.db2.gz NAHBEHIOOKVMJM-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC[C@@H]21 ZINC001171815453 905074445 /nfs/dbraw/zinc/07/44/45/905074445.db2.gz WNZFWGOCNFMBMV-BEFAXECRSA-N 1 1 381.432 3.553 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](COCc4ccccc4)C3)n2)c1 ZINC000173989486 905179462 /nfs/dbraw/zinc/17/94/62/905179462.db2.gz ANIUGFWSBQORIQ-QGZVFWFLSA-N 1 1 394.431 3.684 20 5 GHBDMO O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000779206923 905363608 /nfs/dbraw/zinc/36/36/08/905363608.db2.gz VODCJZPPRVKBIE-OAHLLOKOSA-N 1 1 392.358 3.628 20 5 GHBDMO C[N@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2(CCCCC2)C1 ZINC000175067137 905438896 /nfs/dbraw/zinc/43/88/96/905438896.db2.gz GTKSPROUHBJRHH-UHFFFAOYSA-N 1 1 384.480 3.743 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000801578506 921149839 /nfs/dbraw/zinc/14/98/39/921149839.db2.gz YCTYZEUGQVYDIR-GOSISDBHSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000801578506 921149855 /nfs/dbraw/zinc/14/98/55/921149855.db2.gz YCTYZEUGQVYDIR-GOSISDBHSA-N 1 1 383.876 3.985 20 5 GHBDMO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904494 905927257 /nfs/dbraw/zinc/92/72/57/905927257.db2.gz XOBNXWHDRPDZIY-SIKLNZKXSA-N 1 1 382.460 3.606 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1)CC2 ZINC001172903607 905927321 /nfs/dbraw/zinc/92/73/21/905927321.db2.gz HQJVIILRGBULIP-OIISXLGYSA-N 1 1 390.377 3.570 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H]3CN(Cc4cccs4)C[C@H]3C1)CC2 ZINC001172906658 905931775 /nfs/dbraw/zinc/93/17/75/905931775.db2.gz XUOGTISWWGYANW-HSALFYBXSA-N 1 1 397.544 3.968 20 5 GHBDMO [NH3+]C1(c2ccccc2F)CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906495 905933829 /nfs/dbraw/zinc/93/38/29/905933829.db2.gz XKGZESXDNSFSNG-GOSISDBHSA-N 1 1 383.467 3.931 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1F ZINC001173186015 906267965 /nfs/dbraw/zinc/26/79/65/906267965.db2.gz QUUFPOKLXNMOLM-HNAYVOBHSA-N 1 1 387.455 3.662 20 5 GHBDMO CO[C@@H](CN1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001173230763 906316790 /nfs/dbraw/zinc/31/67/90/906316790.db2.gz FNWIRAKAPMAGRT-GCJKJVERSA-N 1 1 383.492 3.531 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001173237738 906348685 /nfs/dbraw/zinc/34/86/85/906348685.db2.gz LSMDCSOZAQEJCZ-HYEGPXJVSA-N 1 1 389.496 3.761 20 5 GHBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc([S@](C)=O)cc1 ZINC000178804018 906387765 /nfs/dbraw/zinc/38/77/65/906387765.db2.gz SJHSCUVRMHTLJM-NDEPHWFRSA-N 1 1 399.472 3.662 20 5 GHBDMO CSc1cccc(C(=O)OC[C@@H]2CCC[N@@H+]2Cc2ccco2)c1[N+](=O)[O-] ZINC000777344319 906518569 /nfs/dbraw/zinc/51/85/69/906518569.db2.gz LBHQTQFHWIIOOH-ZDUSSCGKSA-N 1 1 376.434 3.731 20 5 GHBDMO CSc1cccc(C(=O)OC[C@@H]2CCC[N@H+]2Cc2ccco2)c1[N+](=O)[O-] ZINC000777344319 906518580 /nfs/dbraw/zinc/51/85/80/906518580.db2.gz LBHQTQFHWIIOOH-ZDUSSCGKSA-N 1 1 376.434 3.731 20 5 GHBDMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)n1 ZINC000181625537 907041485 /nfs/dbraw/zinc/04/14/85/907041485.db2.gz LFLLRZGXOWVAQX-OAHLLOKOSA-N 1 1 380.857 3.693 20 5 GHBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181667198 907051693 /nfs/dbraw/zinc/05/16/93/907051693.db2.gz DMUHQZITSGMVDM-HIFRSBDPSA-N 1 1 379.888 3.560 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000183608157 907421610 /nfs/dbraw/zinc/42/16/10/907421610.db2.gz JLBVYHQKAICDDQ-NVXWUHKLSA-N 1 1 383.452 3.507 20 5 GHBDMO CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176959704 908329128 /nfs/dbraw/zinc/32/91/28/908329128.db2.gz OFYCSPOCZNZAIF-SUMWQHHRSA-N 1 1 375.494 3.732 20 5 GHBDMO CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176959704 908329141 /nfs/dbraw/zinc/32/91/41/908329141.db2.gz OFYCSPOCZNZAIF-SUMWQHHRSA-N 1 1 375.494 3.732 20 5 GHBDMO CC(C)OCC[NH+]1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001177972359 908853351 /nfs/dbraw/zinc/85/33/51/908853351.db2.gz IPUBNDYJWUEXIN-UHFFFAOYSA-N 1 1 387.480 3.834 20 5 GHBDMO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000266933044 909342192 /nfs/dbraw/zinc/34/21/92/909342192.db2.gz UFAZAYDHMDSNEF-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cc(NC(=O)OC(C)(C)C)ccn2)cc1[N+](=O)[O-] ZINC001179610906 909607038 /nfs/dbraw/zinc/60/70/38/909607038.db2.gz BKCJMYJGEANREN-UHFFFAOYSA-N 1 1 388.424 3.635 20 5 GHBDMO CC(C)C[C@H]1CCC[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795415570 910268261 /nfs/dbraw/zinc/26/82/61/910268261.db2.gz QPZUVQBGZWDZHK-CYBMUJFWSA-N 1 1 396.285 3.781 20 5 GHBDMO CC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](O)C(F)(F)F ZINC000270969189 910743032 /nfs/dbraw/zinc/74/30/32/910743032.db2.gz IZHUKAHXSHDQMQ-OLZOCXBDSA-N 1 1 375.372 3.510 20 5 GHBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000271123868 910789526 /nfs/dbraw/zinc/78/95/26/910789526.db2.gz JZZXIZYHLZQJGQ-IAGOWNOFSA-N 1 1 393.553 3.556 20 5 GHBDMO C[C@H](N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284448006 911870895 /nfs/dbraw/zinc/87/08/95/911870895.db2.gz ZWKLTKLDLSPZFJ-JVPBZIDWSA-N 1 1 393.447 3.741 20 5 GHBDMO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284448006 911870903 /nfs/dbraw/zinc/87/09/03/911870903.db2.gz ZWKLTKLDLSPZFJ-JVPBZIDWSA-N 1 1 393.447 3.741 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000303575384 914958609 /nfs/dbraw/zinc/95/86/09/914958609.db2.gz NQGJLNOWAQKCTE-INIZCTEOSA-N 1 1 393.365 3.618 20 5 GHBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(N2CCCNC2=O)cc1 ZINC000291166073 915015176 /nfs/dbraw/zinc/01/51/76/915015176.db2.gz GGVMLVPUHVLYHD-CYBMUJFWSA-N 1 1 395.419 3.507 20 5 GHBDMO COc1cc(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)c([N+](=O)[O-])cc1F ZINC000295560798 917359476 /nfs/dbraw/zinc/35/94/76/917359476.db2.gz QIPPHJDYDSYAHO-UHFFFAOYSA-N 1 1 387.411 3.966 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC001190541321 917398768 /nfs/dbraw/zinc/39/87/68/917398768.db2.gz OYYISLNWGAKMTK-DLBZAZTESA-N 1 1 390.867 3.695 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001190606302 917444525 /nfs/dbraw/zinc/44/45/25/917444525.db2.gz WSOMWIACMPYKKO-UHFFFAOYSA-N 1 1 389.427 3.983 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H](c2ccccc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001190781094 917562396 /nfs/dbraw/zinc/56/23/96/917562396.db2.gz PPEUNHZQLDQHGX-GOSISDBHSA-N 1 1 379.460 3.754 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001190855087 917604732 /nfs/dbraw/zinc/60/47/32/917604732.db2.gz MWINNVUTCGXISK-WMZOPIPTSA-N 1 1 397.475 3.885 20 5 GHBDMO CCCNC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2Br)CCCCC1 ZINC001191802776 918230242 /nfs/dbraw/zinc/23/02/42/918230242.db2.gz ZELNZXSUENVFAB-UHFFFAOYSA-N 1 1 398.301 3.676 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000117333898 919537200 /nfs/dbraw/zinc/53/72/00/919537200.db2.gz LRPAYVQXBWUGKP-GOSISDBHSA-N 1 1 397.431 3.739 20 5 GHBDMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119385652 919626454 /nfs/dbraw/zinc/62/64/54/919626454.db2.gz DPKAMZHNIMWIGT-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2c(c1)COCO2 ZINC000010844202 924417373 /nfs/dbraw/zinc/41/73/73/924417373.db2.gz ZKKWPVIXRASZAY-GOSISDBHSA-N 1 1 398.415 3.570 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2c(c1)COCO2 ZINC000010844202 924417378 /nfs/dbraw/zinc/41/73/78/924417378.db2.gz ZKKWPVIXRASZAY-GOSISDBHSA-N 1 1 398.415 3.570 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000827148419 924899307 /nfs/dbraw/zinc/89/93/07/924899307.db2.gz JIHGNMDOWVXHKK-SUMWQHHRSA-N 1 1 377.872 3.646 20 5 GHBDMO O=C(CC[N@H+](Cc1ccccc1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000409876775 925088165 /nfs/dbraw/zinc/08/81/65/925088165.db2.gz AGCXRHYIUSVDFA-GOSISDBHSA-N 1 1 383.448 3.605 20 5 GHBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000372312065 925329121 /nfs/dbraw/zinc/32/91/21/925329121.db2.gz ROCWEWNOTDXIHC-UHFFFAOYSA-N 1 1 385.489 3.785 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1F ZINC000827827236 926058269 /nfs/dbraw/zinc/05/82/69/926058269.db2.gz QWCHUPGPRULRGN-HNNXBMFYSA-N 1 1 389.402 3.576 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000411134258 926109968 /nfs/dbraw/zinc/10/99/68/926109968.db2.gz JDEDRSDQUVJCKH-GOSISDBHSA-N 1 1 399.447 3.778 20 5 GHBDMO C[N@H+](CCc1cccc2ccccc21)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000725776607 926433772 /nfs/dbraw/zinc/43/37/72/926433772.db2.gz IPNCZPRIWDXXAL-UHFFFAOYSA-N 1 1 389.253 3.839 20 5 GHBDMO C[N@@H+](CCc1cccc2ccccc21)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000725776607 926433775 /nfs/dbraw/zinc/43/37/75/926433775.db2.gz IPNCZPRIWDXXAL-UHFFFAOYSA-N 1 1 389.253 3.839 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001942 926995233 /nfs/dbraw/zinc/99/52/33/926995233.db2.gz RPKXNKYXUAFATF-UZLBHIALSA-N 1 1 395.459 3.776 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001942 926995239 /nfs/dbraw/zinc/99/52/39/926995239.db2.gz RPKXNKYXUAFATF-UZLBHIALSA-N 1 1 395.459 3.776 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000412240757 927247154 /nfs/dbraw/zinc/24/71/54/927247154.db2.gz GVRQENGYAURUPZ-WBVHZDCISA-N 1 1 389.496 3.765 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749801129 927281407 /nfs/dbraw/zinc/28/14/07/927281407.db2.gz AXFNHJDOWQMANE-UHFFFAOYSA-N 1 1 377.485 3.905 20 5 GHBDMO COc1ccc(C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@H](C)C2CC2)cc1 ZINC000749945442 927362949 /nfs/dbraw/zinc/36/29/49/927362949.db2.gz ODRJXSLPSFXTTG-OAHLLOKOSA-N 1 1 395.463 3.915 20 5 GHBDMO CC[N@@H+](Cc1ccccc1Br)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750038296 927399826 /nfs/dbraw/zinc/39/98/26/927399826.db2.gz RIJOUHSPUVGHKO-KRWDZBQOSA-N 1 1 379.254 3.913 20 5 GHBDMO CC[N@H+](Cc1ccccc1Br)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750038296 927399834 /nfs/dbraw/zinc/39/98/34/927399834.db2.gz RIJOUHSPUVGHKO-KRWDZBQOSA-N 1 1 379.254 3.913 20 5 GHBDMO COc1ccc(OC)c(C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000750092521 927431059 /nfs/dbraw/zinc/43/10/59/927431059.db2.gz NOAKJBLEFLEVEO-LJQANCHMSA-N 1 1 388.464 3.946 20 5 GHBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000413261778 928374561 /nfs/dbraw/zinc/37/45/61/928374561.db2.gz GQKBOUXUVBETNC-GASCZTMLSA-N 1 1 392.381 3.577 20 5 GHBDMO O=[N+]([O-])c1cn(C[NH+]2CCC(c3cccc(F)c3)CC2)nc1-c1ccncc1 ZINC000751951497 928504619 /nfs/dbraw/zinc/50/46/19/928504619.db2.gz VYFLONINFDKLML-UHFFFAOYSA-N 1 1 381.411 3.830 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC[N@@H+]1C ZINC000758286475 930001878 /nfs/dbraw/zinc/00/18/78/930001878.db2.gz UOCBXRYRLPPZBE-AWEZNQCLSA-N 1 1 377.510 3.653 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC[N@H+]1C ZINC000758286475 930001883 /nfs/dbraw/zinc/00/18/83/930001883.db2.gz UOCBXRYRLPPZBE-AWEZNQCLSA-N 1 1 377.510 3.653 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470119758 930388279 /nfs/dbraw/zinc/38/82/79/930388279.db2.gz CTWFJIYLFZKTQL-KDURUIRLSA-N 1 1 394.475 3.807 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000470139544 930399888 /nfs/dbraw/zinc/39/98/88/930399888.db2.gz DIOOTGPTIPAUEY-RHSMWYFYSA-N 1 1 386.427 3.909 20 5 GHBDMO CCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000470140469 930400780 /nfs/dbraw/zinc/40/07/80/930400780.db2.gz KBQPKVFCMUVZBG-GOSISDBHSA-N 1 1 386.427 3.862 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000470203878 930450596 /nfs/dbraw/zinc/45/05/96/930450596.db2.gz FUNGPWHDZXBQJL-FOYGFLCZSA-N 1 1 395.503 3.567 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000470203878 930450604 /nfs/dbraw/zinc/45/06/04/930450604.db2.gz FUNGPWHDZXBQJL-FOYGFLCZSA-N 1 1 395.503 3.567 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000470203878 930450612 /nfs/dbraw/zinc/45/06/12/930450612.db2.gz FUNGPWHDZXBQJL-FOYGFLCZSA-N 1 1 395.503 3.567 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000470216630 930458380 /nfs/dbraw/zinc/45/83/80/930458380.db2.gz UISJUDGGARZSPF-WJDWOHSUSA-N 1 1 384.432 3.682 20 5 GHBDMO COc1cc(Cc2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000547172537 930760540 /nfs/dbraw/zinc/76/05/40/930760540.db2.gz MQZFDAHKZIAKJI-SFHVURJKSA-N 1 1 394.431 3.914 20 5 GHBDMO COc1cc(Cc2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000547172537 930760554 /nfs/dbraw/zinc/76/05/54/930760554.db2.gz MQZFDAHKZIAKJI-SFHVURJKSA-N 1 1 394.431 3.914 20 5 GHBDMO Cc1ccc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(N2CCCC2)[nH+]1 ZINC000781387397 930827578 /nfs/dbraw/zinc/82/75/78/930827578.db2.gz QMENOFXLVXLHRV-UHFFFAOYSA-N 1 1 389.843 3.874 20 5 GHBDMO CC(C)(C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000547290071 930884595 /nfs/dbraw/zinc/88/45/95/930884595.db2.gz FVVLTUKYEYIDMV-UHFFFAOYSA-N 1 1 399.466 3.576 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000471071736 931135003 /nfs/dbraw/zinc/13/50/03/931135003.db2.gz ZVIODGUUBRCWMF-UNMCSNQZSA-N 1 1 397.475 3.820 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000471071736 931135009 /nfs/dbraw/zinc/13/50/09/931135009.db2.gz ZVIODGUUBRCWMF-UNMCSNQZSA-N 1 1 397.475 3.820 20 5 GHBDMO Cc1ccnc(OC2CC[NH+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)CC2)c1 ZINC000782277229 931151839 /nfs/dbraw/zinc/15/18/39/931151839.db2.gz ZIYBHHQMGHHROK-UHFFFAOYSA-N 1 1 393.447 3.663 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782494244 931241141 /nfs/dbraw/zinc/24/11/41/931241141.db2.gz CSYXWXUZOBEFCY-OAHLLOKOSA-N 1 1 389.402 3.766 20 5 GHBDMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc(F)cc1[N+](=O)[O-] ZINC000557456356 931439683 /nfs/dbraw/zinc/43/96/83/931439683.db2.gz BXGIFWCNICDFSA-KRWDZBQOSA-N 1 1 383.379 3.588 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000783598095 931591994 /nfs/dbraw/zinc/59/19/94/931591994.db2.gz QSORUXVVKOXSGD-CQSZACIVSA-N 1 1 376.254 3.817 20 5 GHBDMO COc1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000557737434 931641030 /nfs/dbraw/zinc/64/10/30/931641030.db2.gz YFSVCRLRFXOIIT-NRFANRHFSA-N 1 1 385.439 3.845 20 5 GHBDMO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000784141779 931796042 /nfs/dbraw/zinc/79/60/42/931796042.db2.gz PQNLHWVBTDZNFB-MRXNPFEDSA-N 1 1 398.381 3.875 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)Cc3cccc([N+](=O)[O-])c3C)CC[N@H+]2C)cc1 ZINC000797043570 932157538 /nfs/dbraw/zinc/15/75/38/932157538.db2.gz LBSLJPPUPSMJSQ-PGRDOPGGSA-N 1 1 398.459 3.691 20 5 GHBDMO Cc1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c([N+](=O)[O-])c1 ZINC000558974529 932348206 /nfs/dbraw/zinc/34/82/06/932348206.db2.gz PPQHLXXECBPXKH-IBGZPJMESA-N 1 1 396.491 3.639 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@@]1(c2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000927119912 932420693 /nfs/dbraw/zinc/42/06/93/932420693.db2.gz MQBUOPZRJKABJY-IFMALSPDSA-N 1 1 392.459 3.713 20 5 GHBDMO CC[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000559337121 932609719 /nfs/dbraw/zinc/60/97/19/932609719.db2.gz NDBKBKJZRUUIKK-NRFANRHFSA-N 1 1 381.476 3.996 20 5 GHBDMO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCN(Cc2ccccc2)C1 ZINC000798934744 932823607 /nfs/dbraw/zinc/82/36/07/932823607.db2.gz HZSMDZNYJXSVQZ-RZUBCFFCSA-N 1 1 397.523 3.777 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000799360236 932970613 /nfs/dbraw/zinc/97/06/13/932970613.db2.gz HCRHUPFLAHATBZ-OAHLLOKOSA-N 1 1 393.484 3.730 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc([N+](=O)[O-])cc3C)C2)s1 ZINC000560483242 933283628 /nfs/dbraw/zinc/28/36/28/933283628.db2.gz ZMQGFBNNDPCUPY-MRXNPFEDSA-N 1 1 387.505 3.867 20 5 GHBDMO Cc1ccnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Br)CC2)n1 ZINC001119781047 934396141 /nfs/dbraw/zinc/39/61/41/934396141.db2.gz MDNJUASFNCGYQS-UHFFFAOYSA-N 1 1 391.269 3.835 20 5 GHBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n1)OC2 ZINC000561932956 934570604 /nfs/dbraw/zinc/57/06/04/934570604.db2.gz CPTOCQMLPPDGNI-SCLBCKFNSA-N 1 1 386.433 3.785 20 5 GHBDMO COc1cccc([C@@H]2[C@H](Nc3nc4ccccn4c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000778010251 934621094 /nfs/dbraw/zinc/62/10/94/934621094.db2.gz PFROZBNQJDPOGX-IEBWSBKVSA-N 1 1 393.447 3.641 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccnc(Cl)c1)[C@H]1CC[C@H](O)CC1 ZINC000828807295 935715697 /nfs/dbraw/zinc/71/56/97/935715697.db2.gz LVKYQVMVHYRYQC-QAQDUYKDSA-N 1 1 375.856 3.949 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccnc(Cl)c1)[C@H]1CC[C@H](O)CC1 ZINC000828807295 935715699 /nfs/dbraw/zinc/71/56/99/935715699.db2.gz LVKYQVMVHYRYQC-QAQDUYKDSA-N 1 1 375.856 3.949 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000829539027 935824757 /nfs/dbraw/zinc/82/47/57/935824757.db2.gz WLYRSIKCTHYHAS-FQEVSTJZSA-N 1 1 385.420 3.666 20 5 GHBDMO N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680867 1032060201 /nfs/dbraw/zinc/06/02/01/1032060201.db2.gz UKENYUZHNQWKPS-SMOZNVCYSA-N 1 1 387.527 3.652 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001625937582 1014484906 /nfs/dbraw/zinc/48/49/06/1014484906.db2.gz LUSCOBAAHJPYJB-MRXNPFEDSA-N 1 1 387.867 3.890 20 5 GHBDMO C[C@H](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+](C)Cc1ccccc1 ZINC000544868172 1015128483 /nfs/dbraw/zinc/12/84/83/1015128483.db2.gz AFZQTPDMMVFJTN-OAHLLOKOSA-N 1 1 380.448 3.717 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000546560978 1016672327 /nfs/dbraw/zinc/67/23/27/1016672327.db2.gz ZXXOSFOIQURGBL-UHFFFAOYSA-N 1 1 393.503 3.982 20 5 GHBDMO Cc1ccc(CNC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001226902128 1032184790 /nfs/dbraw/zinc/18/47/90/1032184790.db2.gz OQCNRXUXZIKVEZ-FQEVSTJZSA-N 1 1 398.507 3.859 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001227124911 1032279977 /nfs/dbraw/zinc/27/99/77/1032279977.db2.gz SIMYMISBZPQIIS-HNAYVOBHSA-N 1 1 384.432 3.671 20 5 GHBDMO CCOC(=O)c1ccc(O[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)c([N+](=O)[O-])c1 ZINC001227302540 1032363005 /nfs/dbraw/zinc/36/30/05/1032363005.db2.gz WZMLFQFUVRMPJG-MRXNPFEDSA-N 1 1 385.420 3.523 20 5 GHBDMO Cc1cc[nH+]c(N2CCC(Oc3ncnc4cc(Cl)c([N+](=O)[O-])cc43)CC2)c1 ZINC001227365267 1032390259 /nfs/dbraw/zinc/39/02/59/1032390259.db2.gz ANNZAFGZZHRWDA-UHFFFAOYSA-N 1 1 399.838 3.943 20 5 GHBDMO COC(=O)c1cccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1[N+](=O)[O-] ZINC001227895711 1032675590 /nfs/dbraw/zinc/67/55/90/1032675590.db2.gz CLBYDPOYSMPMFF-NZSAHSFTSA-N 1 1 396.443 3.671 20 5 GHBDMO COC(=O)c1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001227897220 1032677223 /nfs/dbraw/zinc/67/72/23/1032677223.db2.gz PIAWVCBKISNTOB-PIIMJCKOSA-N 1 1 396.443 3.956 20 5 GHBDMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000561300958 1017833623 /nfs/dbraw/zinc/83/36/23/1017833623.db2.gz HKRAKEHJBPOTIY-IBGZPJMESA-N 1 1 379.460 3.608 20 5 GHBDMO COCc1c(C)cc(C)c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC001204306833 1032748909 /nfs/dbraw/zinc/74/89/09/1032748909.db2.gz KLDAMTKMTMBSIB-QGZVFWFLSA-N 1 1 384.480 3.748 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)ccc1[N+](=O)[O-] ZINC000933713516 1018885548 /nfs/dbraw/zinc/88/55/48/1018885548.db2.gz PJMMVYPWBKWLSJ-ZDUSSCGKSA-N 1 1 396.369 3.792 20 5 GHBDMO C[C@@H](Oc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228139069 1032805946 /nfs/dbraw/zinc/80/59/46/1032805946.db2.gz PGQKSRPICAKDIY-IIBYNOLFSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@@H](Oc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228139069 1032805961 /nfs/dbraw/zinc/80/59/61/1032805961.db2.gz PGQKSRPICAKDIY-IIBYNOLFSA-N 1 1 393.443 3.811 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(N3CCc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000800528567 1021315604 /nfs/dbraw/zinc/31/56/04/1021315604.db2.gz QFUSLSXHOHKXSN-UHFFFAOYSA-N 1 1 382.420 3.530 20 5 GHBDMO C[C@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228759207 1033081934 /nfs/dbraw/zinc/08/19/34/1033081934.db2.gz XNRFNEZZXPQBRR-LIRRHRJNSA-N 1 1 376.840 3.917 20 5 GHBDMO C[C@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228759207 1033081953 /nfs/dbraw/zinc/08/19/53/1033081953.db2.gz XNRFNEZZXPQBRR-LIRRHRJNSA-N 1 1 376.840 3.917 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000836780108 1023362314 /nfs/dbraw/zinc/36/23/14/1023362314.db2.gz WEVXBAWFGRCQAG-SUMWQHHRSA-N 1 1 377.872 3.646 20 5 GHBDMO Cc1cc(F)cc(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1[N+](=O)[O-] ZINC000836823485 1023391794 /nfs/dbraw/zinc/39/17/94/1023391794.db2.gz LSAZAMZJINVWAT-UHFFFAOYSA-N 1 1 385.439 3.827 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000836921457 1023468944 /nfs/dbraw/zinc/46/89/44/1023468944.db2.gz ZZBASCXVBAIXKV-HNNXBMFYSA-N 1 1 385.439 3.636 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000756998767 1023903394 /nfs/dbraw/zinc/90/33/94/1023903394.db2.gz PJOBFULBYAXGKV-GOSISDBHSA-N 1 1 391.830 3.668 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000756998767 1023903397 /nfs/dbraw/zinc/90/33/97/1023903397.db2.gz PJOBFULBYAXGKV-GOSISDBHSA-N 1 1 391.830 3.668 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001205007089 1033204740 /nfs/dbraw/zinc/20/47/40/1033204740.db2.gz FFACCJPPZNTFQM-JKSUJKDBSA-N 1 1 377.485 3.947 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001162755939 1025907120 /nfs/dbraw/zinc/90/71/20/1025907120.db2.gz SXWDSBGLFLPWRM-HNNXBMFYSA-N 1 1 376.457 3.984 20 5 GHBDMO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Br ZINC000839525638 1026011742 /nfs/dbraw/zinc/01/17/42/1026011742.db2.gz VOORONYMARQNAR-XJKSGUPXSA-N 1 1 394.313 3.806 20 5 GHBDMO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)CCCC2 ZINC001163037110 1026019862 /nfs/dbraw/zinc/01/98/62/1026019862.db2.gz LEUYQYMHYAVUPG-GOSISDBHSA-N 1 1 398.532 3.898 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)c1cccc(Br)c1 ZINC000839639975 1026149452 /nfs/dbraw/zinc/14/94/52/1026149452.db2.gz KODFXQJJOWCTLJ-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)c1cccc(Br)c1 ZINC000839639975 1026149459 /nfs/dbraw/zinc/14/94/59/1026149459.db2.gz KODFXQJJOWCTLJ-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H]1[NH+]1CCOCC1 ZINC001163572132 1026240161 /nfs/dbraw/zinc/24/01/61/1026240161.db2.gz UIUXRCMPVAJCAN-QZTJIDSGSA-N 1 1 382.464 3.568 20 5 GHBDMO COC(=O)/C=C/c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001163831130 1026331201 /nfs/dbraw/zinc/33/12/01/1026331201.db2.gz KCCGMBCSJGEMOU-XSBJJCPUSA-N 1 1 395.459 3.776 20 5 GHBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)n1 ZINC001165183749 1026652657 /nfs/dbraw/zinc/65/26/57/1026652657.db2.gz SEEFRVDOOSGBSY-CJNGLKHVSA-N 1 1 389.887 3.693 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000842832212 1029617609 /nfs/dbraw/zinc/61/76/09/1029617609.db2.gz AVWNBGOJIYXFCI-CQSZACIVSA-N 1 1 389.477 3.996 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)CC[NH+]1CCCCC1 ZINC001142919596 1029695276 /nfs/dbraw/zinc/69/52/76/1029695276.db2.gz RQDIOWFDINWRST-UHFFFAOYSA-N 1 1 392.503 3.771 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001461603324 1069635174 /nfs/dbraw/zinc/63/51/74/1069635174.db2.gz UNVOUOIUKWNLPU-OAQYLSRUSA-N 1 1 399.466 3.645 20 5 GHBDMO C[C@]12CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001150126199 1030410952 /nfs/dbraw/zinc/41/09/52/1030410952.db2.gz GVFBYMWVOKXGTL-SZPZYZBQSA-N 1 1 397.450 3.718 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(OC4CC5(C4)CC[NH2+]C5)ccc3c21 ZINC001218059719 1030748639 /nfs/dbraw/zinc/74/86/39/1030748639.db2.gz BCPCZXOLWHYDOW-UHFFFAOYSA-N 1 1 377.396 3.919 20 5 GHBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC[N@H+]1C ZINC001152816140 1031367187 /nfs/dbraw/zinc/36/71/87/1031367187.db2.gz OVDYIYOEAXGJMV-CABCVRRESA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC[N@@H+]1C ZINC001152816140 1031367193 /nfs/dbraw/zinc/36/71/93/1031367193.db2.gz OVDYIYOEAXGJMV-CABCVRRESA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001225504984 1031442973 /nfs/dbraw/zinc/44/29/73/1031442973.db2.gz FJJMFPLSWOYNKJ-TZMCWYRMSA-N 1 1 392.253 3.967 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225887142 1031676283 /nfs/dbraw/zinc/67/62/83/1031676283.db2.gz VAOPJTKXNJECEN-SCLBCKFNSA-N 1 1 389.383 3.932 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2nc(Cl)ccc2[N+](=O)[O-])O1 ZINC001226364968 1031931800 /nfs/dbraw/zinc/93/18/00/1031931800.db2.gz WPEJIZLCEUUDER-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2nc(Cl)ccc2[N+](=O)[O-])O1 ZINC001226364968 1031931808 /nfs/dbraw/zinc/93/18/08/1031931808.db2.gz WPEJIZLCEUUDER-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229141800 1033304551 /nfs/dbraw/zinc/30/45/51/1033304551.db2.gz RPWCBOWCAYMXRU-IUODEOHRSA-N 1 1 392.253 3.967 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001157066782 1033399584 /nfs/dbraw/zinc/39/95/84/1033399584.db2.gz LOMPBXJSFMEUKM-UHFFFAOYSA-N 1 1 378.835 3.883 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001229401938 1033460273 /nfs/dbraw/zinc/46/02/73/1033460273.db2.gz GFKDWVHMRWPBAP-LFUKPOHLSA-N 1 1 390.443 3.827 20 5 GHBDMO Nc1cccc(C[NH+]2CCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC2)c1 ZINC001158480910 1034099966 /nfs/dbraw/zinc/09/99/66/1034099966.db2.gz QDYKCDQLZMNGFD-UHFFFAOYSA-N 1 1 397.866 3.701 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001158523726 1034124996 /nfs/dbraw/zinc/12/49/96/1034124996.db2.gz OXKCXMRMGOBRCT-HZPDHXFCSA-N 1 1 377.448 3.637 20 5 GHBDMO CCOC(=O)c1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001230913353 1034284051 /nfs/dbraw/zinc/28/40/51/1034284051.db2.gz VOVNIMMEJNGISK-SFHVURJKSA-N 1 1 384.432 3.815 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001230915919 1034285541 /nfs/dbraw/zinc/28/55/41/1034285541.db2.gz UFHCMTWKCRCIGV-INIZCTEOSA-N 1 1 376.840 3.918 20 5 GHBDMO COc1ccc(F)cc1C[NH+]1CCC(Nc2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001161151854 1035161174 /nfs/dbraw/zinc/16/11/74/1035161174.db2.gz JXYBCSPZPBZCAZ-UHFFFAOYSA-N 1 1 394.834 3.867 20 5 GHBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001161187279 1035171474 /nfs/dbraw/zinc/17/14/74/1035171474.db2.gz MDLGZTZQQQPWFQ-JTQLQIEISA-N 1 1 393.797 3.733 20 5 GHBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3nc(Cl)cc(C)c3[N+](=O)[O-])C2)c1 ZINC001161187595 1035171552 /nfs/dbraw/zinc/17/15/52/1035171552.db2.gz HLZWADBTLVYNMD-AWEZNQCLSA-N 1 1 376.844 3.647 20 5 GHBDMO COc1c(Cl)ccc(-c2noc([C@@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c1F ZINC001248209949 1035641041 /nfs/dbraw/zinc/64/10/41/1035641041.db2.gz GGNDEYNFPLMUSO-ZDUSSCGKSA-N 1 1 392.774 3.688 20 5 GHBDMO C[NH+]1CCN(C(=O)c2cccc(-c3cc4cccnc4c4ncccc34)c2)CC1 ZINC001241880784 1035739967 /nfs/dbraw/zinc/73/99/67/1035739967.db2.gz PZHZMJPDHKCJNB-UHFFFAOYSA-N 1 1 382.467 3.838 20 5 GHBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H](c2ccccc2)[NH+]2CCCCC2)n1 ZINC001248062316 1038561195 /nfs/dbraw/zinc/56/11/95/1038561195.db2.gz BFYGFJKAKWTHJZ-QGZVFWFLSA-N 1 1 383.383 3.754 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3cc(F)c([N+](=O)[O-])c(F)c3)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001233752718 1039590674 /nfs/dbraw/zinc/59/06/74/1039590674.db2.gz HAHKEFBUABOBOF-MJXNMMHHSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3cc(F)c([N+](=O)[O-])c(F)c3)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001233752718 1039590679 /nfs/dbraw/zinc/59/06/79/1039590679.db2.gz HAHKEFBUABOBOF-MJXNMMHHSA-N 1 1 388.370 3.626 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001234048238 1039784696 /nfs/dbraw/zinc/78/46/96/1039784696.db2.gz HHHVBJQNKYBSFK-MGPUTAFESA-N 1 1 384.432 3.671 20 5 GHBDMO COc1c(O[C@H]2CCC[N@H+](C(C)C)C2)c2nccc3c4ccccc4n(c32)c1=O ZINC001234721779 1040251755 /nfs/dbraw/zinc/25/17/55/1040251755.db2.gz DZXKDVYZROOBML-HNNXBMFYSA-N 1 1 391.471 3.699 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([NH+]3CC(Oc4ccc(F)c(F)c4)C3)CC2)cc1 ZINC001254478601 1040264730 /nfs/dbraw/zinc/26/47/30/1040264730.db2.gz HWLUFIJHCJDEMG-UHFFFAOYSA-N 1 1 389.402 3.605 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479272 1040267159 /nfs/dbraw/zinc/26/71/59/1040267159.db2.gz VWJHKJBYTGHSSL-LJQANCHMSA-N 1 1 389.496 3.760 20 5 GHBDMO CC(C)(O)C[N@@H+](Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481690 1040270039 /nfs/dbraw/zinc/27/00/39/1040270039.db2.gz YLPMHWBVPAQAQQ-UHFFFAOYSA-N 1 1 383.492 3.837 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001254554581 1040325073 /nfs/dbraw/zinc/32/50/73/1040325073.db2.gz BYFRTWOIWBBZCX-PIPMEXSNSA-N 1 1 397.475 3.623 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001254560281 1040332800 /nfs/dbraw/zinc/33/28/00/1040332800.db2.gz RIMQRVIISADOAF-HBGVWJBISA-N 1 1 381.476 3.649 20 5 GHBDMO Cc1ccc(O[C@@H]2C[C@H]3CN([C@H](C)Cc4ccccc4[N+](=O)[O-])CC[N@H+]3C2)cc1 ZINC001254561333 1040334744 /nfs/dbraw/zinc/33/47/44/1040334744.db2.gz GPTOVQZJTJCAIH-KAGYGMCKSA-N 1 1 395.503 3.672 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001254562939 1040336265 /nfs/dbraw/zinc/33/62/65/1040336265.db2.gz SBFVDSSNJWSMAO-LRXVAGHRSA-N 1 1 397.475 3.623 20 5 GHBDMO CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254562771 1040336669 /nfs/dbraw/zinc/33/66/69/1040336669.db2.gz UHLOYGQBFFBOJV-MRXNPFEDSA-N 1 1 398.507 3.727 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001254563815 1040338255 /nfs/dbraw/zinc/33/82/55/1040338255.db2.gz DDVRMNAOSVERFA-IVZQSRNASA-N 1 1 380.444 3.867 20 5 GHBDMO CCOC(=O)[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1c1ccccc1 ZINC001254605994 1040378176 /nfs/dbraw/zinc/37/81/76/1040378176.db2.gz DROBVHLSHRTRAX-FKBYEOEOSA-N 1 1 394.471 3.731 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C1)C2 ZINC001254607312 1040379156 /nfs/dbraw/zinc/37/91/56/1040379156.db2.gz LECZITLKLLCEFK-PKTZIBPZSA-N 1 1 377.488 3.803 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@]3(CCCN3Cc3ccccc3)C1)C2 ZINC001254607312 1040379172 /nfs/dbraw/zinc/37/91/72/1040379172.db2.gz LECZITLKLLCEFK-PKTZIBPZSA-N 1 1 377.488 3.803 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@]3(CCCN3Cc3ccccc3)C1)C2 ZINC001254607312 1040379186 /nfs/dbraw/zinc/37/91/86/1040379186.db2.gz LECZITLKLLCEFK-PKTZIBPZSA-N 1 1 377.488 3.803 20 5 GHBDMO C[N@@H+](Cc1cccc(F)c1)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609518 1040382081 /nfs/dbraw/zinc/38/20/81/1040382081.db2.gz WQNUQYDQEHPPEQ-JOCHJYFZSA-N 1 1 383.467 3.798 20 5 GHBDMO CN(Cc1cccc(F)c1)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609518 1040382092 /nfs/dbraw/zinc/38/20/92/1040382092.db2.gz WQNUQYDQEHPPEQ-JOCHJYFZSA-N 1 1 383.467 3.798 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255418862 1041013300 /nfs/dbraw/zinc/01/33/00/1041013300.db2.gz DAXSOHRQOFIOBQ-MRXNPFEDSA-N 1 1 380.404 3.546 20 5 GHBDMO O=[N+]([O-])c1cccc(CCc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255419131 1041014570 /nfs/dbraw/zinc/01/45/70/1041014570.db2.gz FGKHXXFMYKZYFG-SFHVURJKSA-N 1 1 378.432 3.753 20 5 GHBDMO COc1c(O)ccc(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)c1[N+](=O)[O-] ZINC001462564585 1070369542 /nfs/dbraw/zinc/36/95/42/1070369542.db2.gz QQFPXIDGNMRBRF-UHFFFAOYSA-N 1 1 388.420 3.554 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)n1 ZINC001307084412 1043396007 /nfs/dbraw/zinc/39/60/07/1043396007.db2.gz RZVANFOWKFNJLD-CALCHBBNSA-N 1 1 398.507 3.919 20 5 GHBDMO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001291928353 1043534132 /nfs/dbraw/zinc/53/41/32/1043534132.db2.gz IJXKAHUWZSHCIL-SFTDATJTSA-N 1 1 385.508 3.813 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])c(-c2nnc(Cc3cccc(F)c3)o2)c1 ZINC001258571872 1044649612 /nfs/dbraw/zinc/64/96/12/1044649612.db2.gz TVDKGESOSVDNRP-UHFFFAOYSA-N 1 1 379.351 3.869 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[N@H+](C2CC2)C1 ZINC001298640431 1045905235 /nfs/dbraw/zinc/90/52/35/1045905235.db2.gz MBXSXFANNDDCLY-INIZCTEOSA-N 1 1 395.459 3.943 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000588016416 1047052819 /nfs/dbraw/zinc/05/28/19/1047052819.db2.gz UEQQMHJGTJYRLM-USXIJHARSA-N 1 1 395.488 3.922 20 5 GHBDMO C[C@H](C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC001266225367 1047719628 /nfs/dbraw/zinc/71/96/28/1047719628.db2.gz MGEWXZQOCPBWNX-BBWFWOEESA-N 1 1 399.466 3.959 20 5 GHBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC001306058571 1048380493 /nfs/dbraw/zinc/38/04/93/1048380493.db2.gz XBJBZBPZXHRTRA-OAHLLOKOSA-N 1 1 377.510 3.796 20 5 GHBDMO CC[N@H+](C)[C@@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ccccc1 ZINC001306864998 1048934069 /nfs/dbraw/zinc/93/40/69/1048934069.db2.gz DFDNKXRXUKRFSZ-GOSISDBHSA-N 1 1 379.420 3.616 20 5 GHBDMO CC[N@@H+](C)[C@@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ccccc1 ZINC001306864998 1048934075 /nfs/dbraw/zinc/93/40/75/1048934075.db2.gz DFDNKXRXUKRFSZ-GOSISDBHSA-N 1 1 379.420 3.616 20 5 GHBDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307462729 1049300434 /nfs/dbraw/zinc/30/04/34/1049300434.db2.gz UBBQHPKVMLCZBA-QGZVFWFLSA-N 1 1 393.484 3.695 20 5 GHBDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC001307497311 1049335656 /nfs/dbraw/zinc/33/56/56/1049335656.db2.gz RPCYCJGAPMHNTR-KUHUBIRLSA-N 1 1 383.448 3.859 20 5 GHBDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC001307497311 1049335675 /nfs/dbraw/zinc/33/56/75/1049335675.db2.gz RPCYCJGAPMHNTR-KUHUBIRLSA-N 1 1 383.448 3.859 20 5 GHBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001307725642 1049538770 /nfs/dbraw/zinc/53/87/70/1049538770.db2.gz YIPBHDHAPGNJSN-KRWDZBQOSA-N 1 1 399.285 3.769 20 5 GHBDMO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307779064 1049586841 /nfs/dbraw/zinc/58/68/41/1049586841.db2.gz IZHXQSLBSGDVKY-RXVVDRJESA-N 1 1 395.503 3.830 20 5 GHBDMO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307779064 1049586853 /nfs/dbraw/zinc/58/68/53/1049586853.db2.gz IZHXQSLBSGDVKY-RXVVDRJESA-N 1 1 395.503 3.830 20 5 GHBDMO CC[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307918504 1049694215 /nfs/dbraw/zinc/69/42/15/1049694215.db2.gz JRYMOHIZOJQGGO-HSZRJFAPSA-N 1 1 393.487 3.971 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307946841 1049715775 /nfs/dbraw/zinc/71/57/75/1049715775.db2.gz VTDVVVGRHNSQQN-JOCHJYFZSA-N 1 1 383.492 3.816 20 5 GHBDMO CC(C)[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307946841 1049715785 /nfs/dbraw/zinc/71/57/85/1049715785.db2.gz VTDVVVGRHNSQQN-JOCHJYFZSA-N 1 1 383.492 3.816 20 5 GHBDMO CC(C)[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307946841 1049715797 /nfs/dbraw/zinc/71/57/97/1049715797.db2.gz VTDVVVGRHNSQQN-JOCHJYFZSA-N 1 1 383.492 3.816 20 5 GHBDMO Cc1noc(C[N@H+]2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001308028728 1049779186 /nfs/dbraw/zinc/77/91/86/1049779186.db2.gz ZIZVRILHDJXXSH-LJQANCHMSA-N 1 1 396.488 3.654 20 5 GHBDMO COc1cccc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2(C)C)c1 ZINC001308045998 1049795381 /nfs/dbraw/zinc/79/53/81/1049795381.db2.gz LFQNAMZHVOSLGL-KRWDZBQOSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1cccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2(C)C)c1 ZINC001308045998 1049795388 /nfs/dbraw/zinc/79/53/88/1049795388.db2.gz LFQNAMZHVOSLGL-KRWDZBQOSA-N 1 1 383.448 3.810 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(Cc2ccccc2)CCCC1 ZINC001308058769 1049807370 /nfs/dbraw/zinc/80/73/70/1049807370.db2.gz HSUSDWVGSPIXLA-UHFFFAOYSA-N 1 1 393.487 3.971 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001308173931 1049900891 /nfs/dbraw/zinc/90/08/91/1049900891.db2.gz QDXGLZKVGIXVGR-UZLBHIALSA-N 1 1 390.484 3.507 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001290890596 1049944615 /nfs/dbraw/zinc/94/46/15/1049944615.db2.gz GPDPQXPUQPDJEZ-HNNXBMFYSA-N 1 1 385.439 3.896 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001310300806 1051278323 /nfs/dbraw/zinc/27/83/23/1051278323.db2.gz DDOBILDHSWKAKQ-QGZVFWFLSA-N 1 1 384.436 3.993 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC001310653653 1051512043 /nfs/dbraw/zinc/51/20/43/1051512043.db2.gz MNJMAIPMKCZISH-UHFFFAOYSA-N 1 1 386.452 3.637 20 5 GHBDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cn1 ZINC001333324694 1051718616 /nfs/dbraw/zinc/71/86/16/1051718616.db2.gz VDOJNCBQYDLRTK-QKUVIELKSA-N 1 1 392.463 3.560 20 5 GHBDMO CC[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001312312813 1052689874 /nfs/dbraw/zinc/68/98/74/1052689874.db2.gz BZMXRQSFNLQDOZ-VQTJNVASSA-N 1 1 382.464 3.620 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC001318792835 1054877286 /nfs/dbraw/zinc/87/72/86/1054877286.db2.gz PRHVHDNDVGTFEN-VXGBXAGGSA-N 1 1 376.425 3.921 20 5 GHBDMO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC001319715024 1055419338 /nfs/dbraw/zinc/41/93/38/1055419338.db2.gz CCJIWLMSKSGCIV-HNNXBMFYSA-N 1 1 385.489 3.814 20 5 GHBDMO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC001320533421 1055864730 /nfs/dbraw/zinc/86/47/30/1055864730.db2.gz IZUZQYSJDVMOSK-KBXCAEBGSA-N 1 1 394.313 3.806 20 5 GHBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320643033 1055913000 /nfs/dbraw/zinc/91/30/00/1055913000.db2.gz LFEFYFMJLKZLHU-FVMIAERFSA-N 1 1 389.839 3.594 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(Br)c1 ZINC001324150894 1057079797 /nfs/dbraw/zinc/07/97/97/1057079797.db2.gz PJRGFEYTJQICGT-QGZVFWFLSA-N 1 1 395.228 3.590 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(Br)c1 ZINC001324150894 1057079801 /nfs/dbraw/zinc/07/98/01/1057079801.db2.gz PJRGFEYTJQICGT-QGZVFWFLSA-N 1 1 395.228 3.590 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477258 1057114613 /nfs/dbraw/zinc/11/46/13/1057114613.db2.gz SDVUEASHLVSEKS-ICSRJNTNSA-N 1 1 395.459 3.714 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477258 1057114615 /nfs/dbraw/zinc/11/46/15/1057114615.db2.gz SDVUEASHLVSEKS-ICSRJNTNSA-N 1 1 395.459 3.714 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000848487940 1057123089 /nfs/dbraw/zinc/12/30/89/1057123089.db2.gz BFDZYFFPPKDHTQ-QUCCMNQESA-N 1 1 382.464 3.697 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001324588565 1057172787 /nfs/dbraw/zinc/17/27/87/1057172787.db2.gz XKVSOCUZTCSFSU-HKUYNNGSSA-N 1 1 386.427 3.863 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001324588565 1057172790 /nfs/dbraw/zinc/17/27/90/1057172790.db2.gz XKVSOCUZTCSFSU-HKUYNNGSSA-N 1 1 386.427 3.863 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001324588677 1057173362 /nfs/dbraw/zinc/17/33/62/1057173362.db2.gz XKVSOCUZTCSFSU-PKOBYXMFSA-N 1 1 386.427 3.863 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001324588677 1057173368 /nfs/dbraw/zinc/17/33/68/1057173368.db2.gz XKVSOCUZTCSFSU-PKOBYXMFSA-N 1 1 386.427 3.863 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001356354816 1057486472 /nfs/dbraw/zinc/48/64/72/1057486472.db2.gz LGTAMMDZCPHZCA-IRXDYDNUSA-N 1 1 399.466 3.788 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001442018817 1058904362 /nfs/dbraw/zinc/90/43/62/1058904362.db2.gz ORABDKUNVWBJER-UHFFFAOYSA-N 1 1 377.460 3.771 20 5 GHBDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC001340938923 1060268767 /nfs/dbraw/zinc/26/87/67/1060268767.db2.gz CJKRUVHSJGKGDH-SFHVURJKSA-N 1 1 397.479 3.512 20 5 GHBDMO CC[N@@H+](CCCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001452896545 1061040163 /nfs/dbraw/zinc/04/01/63/1061040163.db2.gz UYSBRSUNVHORBB-UHFFFAOYSA-N 1 1 381.904 3.952 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC001454492706 1061804725 /nfs/dbraw/zinc/80/47/25/1061804725.db2.gz GTAUVUYHULGWHJ-HNNXBMFYSA-N 1 1 378.432 3.595 20 5 GHBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC001435741760 1062904732 /nfs/dbraw/zinc/90/47/32/1062904732.db2.gz YHZRZHLYPPWWQQ-SJORKVTESA-N 1 1 396.491 3.762 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001348111977 1062923954 /nfs/dbraw/zinc/92/39/54/1062923954.db2.gz MGTASUQYBJLOME-INIZCTEOSA-N 1 1 389.477 3.867 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001458107771 1063570775 /nfs/dbraw/zinc/57/07/75/1063570775.db2.gz JYKVESSQNZBWIB-BETUJISGSA-N 1 1 383.876 3.815 20 5 GHBDMO COC(=O)/C=C\c1ccc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001458152722 1063607955 /nfs/dbraw/zinc/60/79/55/1063607955.db2.gz PHKAPAOBRUXBPD-WWRUEGTHSA-N 1 1 375.469 3.703 20 5 GHBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001458170575 1063626875 /nfs/dbraw/zinc/62/68/75/1063626875.db2.gz UPUUMTZVJZKWCE-CYBMUJFWSA-N 1 1 389.422 3.804 20 5 GHBDMO Cc1c(Br)c(NC[C@H]2CCC[N@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC001458267713 1063707374 /nfs/dbraw/zinc/70/73/74/1063707374.db2.gz HZAXRDMHLJQMBP-CYBMUJFWSA-N 1 1 385.306 3.841 20 5 GHBDMO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1F ZINC001458282609 1063718350 /nfs/dbraw/zinc/71/83/50/1063718350.db2.gz IJHHONOWXLOIQF-YVWKXTFCSA-N 1 1 399.466 3.939 20 5 GHBDMO Cc1cccc(C[N@@H+]2CCO[C@@H](CNc3ccc([N+](=O)[O-])c4cnccc34)C2)c1 ZINC001458610696 1063904626 /nfs/dbraw/zinc/90/46/26/1063904626.db2.gz VCJFDFRIQIWNTO-SFHVURJKSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1cccc(C[N@H+]2CCO[C@@H](CNc3ccc([N+](=O)[O-])c4cnccc34)C2)c1 ZINC001458610696 1063904629 /nfs/dbraw/zinc/90/46/29/1063904629.db2.gz VCJFDFRIQIWNTO-SFHVURJKSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001437732362 1063924445 /nfs/dbraw/zinc/92/44/45/1063924445.db2.gz XMGZPTSRYUBFIO-NRFANRHFSA-N 1 1 381.476 3.886 20 5 GHBDMO COc1cccc(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001438357668 1064042222 /nfs/dbraw/zinc/04/22/22/1064042222.db2.gz ISCIYIGIKWONNI-GOSISDBHSA-N 1 1 397.475 3.778 20 5 GHBDMO C[C@]12CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001439111709 1064177875 /nfs/dbraw/zinc/17/78/75/1064177875.db2.gz RSCXBOXEXNHZDC-HIFZHMHMSA-N 1 1 391.471 3.589 20 5 GHBDMO C[C@H]([NH2+][C@@H](c1ccc(F)cc1F)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001459839016 1064238364 /nfs/dbraw/zinc/23/83/64/1064238364.db2.gz SXJFVARSXFFNEN-BBATYDOGSA-N 1 1 375.375 3.941 20 5 GHBDMO Cc1ccc(CC[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC001459910113 1064267344 /nfs/dbraw/zinc/26/73/44/1064267344.db2.gz PDDRIGZOOJNPCO-UHFFFAOYSA-N 1 1 379.464 3.534 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001466716432 1066273857 /nfs/dbraw/zinc/27/38/57/1066273857.db2.gz HXUPIOUNOOJAJO-INIZCTEOSA-N 1 1 383.448 3.990 20 5 GHBDMO C[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[N@H+]1CCc2ccccc2C1 ZINC001357359901 1067063370 /nfs/dbraw/zinc/06/33/70/1067063370.db2.gz PDYICFUXSQTSSI-KRWDZBQOSA-N 1 1 393.487 3.580 20 5 GHBDMO CCN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001358470236 1067535859 /nfs/dbraw/zinc/53/58/59/1067535859.db2.gz HLMXGZIQDDCYNR-GOSISDBHSA-N 1 1 399.516 3.810 20 5 GHBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001468596583 1067784890 /nfs/dbraw/zinc/78/48/90/1067784890.db2.gz LAAGOYSSVLFTNK-QGZVFWFLSA-N 1 1 390.528 3.681 20 5 GHBDMO CCN(CCOC)c1cccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001460134367 1068802789 /nfs/dbraw/zinc/80/27/89/1068802789.db2.gz WNMVWKTZENURHI-LJQANCHMSA-N 1 1 398.507 3.842 20 5 GHBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](CO)c1cccc(Cl)c1Cl ZINC001460366478 1068944713 /nfs/dbraw/zinc/94/47/13/1068944713.db2.gz WKBYMWPPLXMQCJ-OAHLLOKOSA-N 1 1 385.247 3.946 20 5 GHBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](CO)c1cccc(Cl)c1Cl ZINC001460366478 1068944715 /nfs/dbraw/zinc/94/47/15/1068944715.db2.gz WKBYMWPPLXMQCJ-OAHLLOKOSA-N 1 1 385.247 3.946 20 5 GHBDMO Cc1ccccc1[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC001470830300 1072760229 /nfs/dbraw/zinc/76/02/29/1072760229.db2.gz HDNDNTZVKKWIPQ-INIZCTEOSA-N 1 1 394.258 3.997 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001472851715 1073693931 /nfs/dbraw/zinc/69/39/31/1073693931.db2.gz KRPOBGVGFWBKBI-QAPCUYQASA-N 1 1 383.448 3.561 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCCCC2 ZINC001473199181 1073852053 /nfs/dbraw/zinc/85/20/53/1073852053.db2.gz DZEVGEYFRXFRCW-OALUTQOASA-N 1 1 389.496 3.901 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)cc1 ZINC001473372258 1073937805 /nfs/dbraw/zinc/93/78/05/1073937805.db2.gz RVCAKNNNJSSZOW-GOSISDBHSA-N 1 1 398.381 3.789 20 5 GHBDMO C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC001473494189 1073988630 /nfs/dbraw/zinc/98/86/30/1073988630.db2.gz MREFYQICQVYOLG-ZDUSSCGKSA-N 1 1 382.302 3.664 20 5 GHBDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473772245 1074134692 /nfs/dbraw/zinc/13/46/92/1074134692.db2.gz YMMOZAANTXSUNW-SFTDATJTSA-N 1 1 387.455 3.536 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@H](Cc3nc(C)cs3)C2)c([N+](=O)[O-])c1 ZINC001473804116 1074151399 /nfs/dbraw/zinc/15/13/99/1074151399.db2.gz AICHWTACAYPAGZ-OAHLLOKOSA-N 1 1 391.493 3.702 20 5 GHBDMO COc1ccc2c(c1)CN(CC1CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001474601315 1074478736 /nfs/dbraw/zinc/47/87/36/1074478736.db2.gz LSYLBAVOQKIOBE-UHFFFAOYSA-N 1 1 395.503 3.874 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001476151405 1075096403 /nfs/dbraw/zinc/09/64/03/1075096403.db2.gz XZQYWIHNSLKIJP-JLTOFOAXSA-N 1 1 396.447 3.991 20 5 GHBDMO CC[C@@H](C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CC=CCC1 ZINC001495998368 1079445301 /nfs/dbraw/zinc/44/53/01/1079445301.db2.gz QQNAFOLQMQWPBX-QGZVFWFLSA-N 1 1 398.511 3.598 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc3ccc([N+](=O)[O-])cc31)[C@H]2C ZINC001164859688 720994326 /nfs/dbraw/zinc/99/43/26/720994326.db2.gz LJKNDRPKFDTVCN-HNNXBMFYSA-N 1 1 394.479 3.761 20 5 GHBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000581100446 837463290 /nfs/dbraw/zinc/46/32/90/837463290.db2.gz VMCUOXHCSJBWHG-CQSZACIVSA-N 1 1 382.844 3.726 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549079325 837485088 /nfs/dbraw/zinc/48/50/88/837485088.db2.gz XRNJAHAWIWRGBQ-HXUWFJFHSA-N 1 1 389.402 3.942 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549079325 837485096 /nfs/dbraw/zinc/48/50/96/837485096.db2.gz XRNJAHAWIWRGBQ-HXUWFJFHSA-N 1 1 389.402 3.942 20 5 GHBDMO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581225583 837485527 /nfs/dbraw/zinc/48/55/27/837485527.db2.gz BVCAULSYDHRYJO-QKLQHJQFSA-N 1 1 381.476 3.725 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000175270032 834414434 /nfs/dbraw/zinc/41/44/34/834414434.db2.gz XOIVVSMIYZOYMT-HXUWFJFHSA-N 1 1 381.476 3.508 20 5 GHBDMO 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O=[N+]([O-])c1ccc(-c2noc(C[N@H+](Cc3cccc(O)c3)CC3CC3)n2)cc1 ZINC000120621366 844608789 /nfs/dbraw/zinc/60/87/89/844608789.db2.gz RYJOPRBVEXLOCO-UHFFFAOYSA-N 1 1 380.404 3.763 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](Cc3cccc(O)c3)CC3CC3)n2)cc1 ZINC000120621366 844608795 /nfs/dbraw/zinc/60/87/95/844608795.db2.gz RYJOPRBVEXLOCO-UHFFFAOYSA-N 1 1 380.404 3.763 20 5 GHBDMO O=[N+]([O-])c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(Cl)c1 ZINC000584498313 841249073 /nfs/dbraw/zinc/24/90/73/841249073.db2.gz JPRCWSHTSIYZEW-QGZVFWFLSA-N 1 1 376.840 3.918 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(OC(F)(F)F)c1 ZINC000500100464 841435524 /nfs/dbraw/zinc/43/55/24/841435524.db2.gz UIENEIPHKBTLCD-UHFFFAOYSA-N 1 1 397.353 3.954 20 5 GHBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000108635057 841667024 /nfs/dbraw/zinc/66/70/24/841667024.db2.gz LVMLHQNKZFVBIA-UHFFFAOYSA-N 1 1 397.410 3.937 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000255325000 841700215 /nfs/dbraw/zinc/70/02/15/841700215.db2.gz VOQXEQCVTWAYIO-GQSKFBFOSA-N 1 1 375.469 3.797 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000302179307 861230559 /nfs/dbraw/zinc/23/05/59/861230559.db2.gz PZFJMOCUSSDDCP-OXJNMPFZSA-N 1 1 396.491 3.665 20 5 GHBDMO C[N@H+](Cc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000500265869 841779328 /nfs/dbraw/zinc/77/93/28/841779328.db2.gz GDUFUDKZDBNRPN-HXUWFJFHSA-N 1 1 389.411 3.512 20 5 GHBDMO C[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000500265869 841779340 /nfs/dbraw/zinc/77/93/40/841779340.db2.gz GDUFUDKZDBNRPN-HXUWFJFHSA-N 1 1 389.411 3.512 20 5 GHBDMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000109347999 841873088 /nfs/dbraw/zinc/87/30/88/841873088.db2.gz UXHBVSNBUAANQW-QAPCUYQASA-N 1 1 385.439 3.823 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000541988200 842055632 /nfs/dbraw/zinc/05/56/32/842055632.db2.gz XPIUYMNZRIDYAJ-MAUKXSAKSA-N 1 1 391.512 3.697 20 5 GHBDMO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccnc3c2cccc3[N+](=O)[O-])cc1 ZINC000432335640 842080115 /nfs/dbraw/zinc/08/01/15/842080115.db2.gz LJJXQQDDDRAMLZ-FQEVSTJZSA-N 1 1 392.459 3.937 20 5 GHBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430647369 842086536 /nfs/dbraw/zinc/08/65/36/842086536.db2.gz FQBKTQYIEIZAQL-OXQOHEQNSA-N 1 1 381.476 3.940 20 5 GHBDMO C[C@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000302504947 861292815 /nfs/dbraw/zinc/29/28/15/861292815.db2.gz QFNULJUHOUDGEE-JTQLQIEISA-N 1 1 395.809 3.548 20 5 GHBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000107690924 842876381 /nfs/dbraw/zinc/87/63/81/842876381.db2.gz LYEQBTFDPOWTSD-HOTGVXAUSA-N 1 1 384.432 3.561 20 5 GHBDMO C[N@H+](C[C@H]1OCCc2ccccc21)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900171 842881813 /nfs/dbraw/zinc/88/18/13/842881813.db2.gz DTSWJZBLEGZORL-OAQYLSRUSA-N 1 1 378.432 3.662 20 5 GHBDMO C[N@@H+](C[C@H]1OCCc2ccccc21)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900171 842881827 /nfs/dbraw/zinc/88/18/27/842881827.db2.gz DTSWJZBLEGZORL-OAQYLSRUSA-N 1 1 378.432 3.662 20 5 GHBDMO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1 ZINC000510540306 842927894 /nfs/dbraw/zinc/92/78/94/842927894.db2.gz VANYWLRVNAQWKV-HXUWFJFHSA-N 1 1 391.427 3.918 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541785044 843008663 /nfs/dbraw/zinc/00/86/63/843008663.db2.gz CTBFMRLQNSPREJ-KBXCAEBGSA-N 1 1 386.427 3.766 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430910771 843168971 /nfs/dbraw/zinc/16/89/71/843168971.db2.gz XQOFRVZCUGMCDE-UWJYYQICSA-N 1 1 397.475 3.646 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430910771 843168982 /nfs/dbraw/zinc/16/89/82/843168982.db2.gz XQOFRVZCUGMCDE-UWJYYQICSA-N 1 1 397.475 3.646 20 5 GHBDMO CC(C)(C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429813415 843642016 /nfs/dbraw/zinc/64/20/16/843642016.db2.gz WAXCKIZXJNRICU-UHFFFAOYSA-N 1 1 387.524 3.987 20 5 GHBDMO COc1ccc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)cc1[N+](=O)[O-] ZINC000500562756 843647076 /nfs/dbraw/zinc/64/70/76/843647076.db2.gz CUCRNDFRVFLKKT-CYBMUJFWSA-N 1 1 397.200 3.728 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512480136 843963714 /nfs/dbraw/zinc/96/37/14/843963714.db2.gz LJNONTFAQMWYIS-CVDCTZTESA-N 1 1 394.519 3.548 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(N3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)cc1 ZINC000432943051 844699640 /nfs/dbraw/zinc/69/96/40/844699640.db2.gz FSQKEXCOWGXZST-UHFFFAOYSA-N 1 1 394.435 3.562 20 5 GHBDMO Cc1c(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000481473065 861499324 /nfs/dbraw/zinc/49/93/24/861499324.db2.gz MKQHVWWQLLJUQJ-HXUWFJFHSA-N 1 1 385.439 3.713 20 5 GHBDMO Cc1c(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000481473065 861499333 /nfs/dbraw/zinc/49/93/33/861499333.db2.gz MKQHVWWQLLJUQJ-HXUWFJFHSA-N 1 1 385.439 3.713 20 5 GHBDMO CSc1cccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000614445751 844892330 /nfs/dbraw/zinc/89/23/30/844892330.db2.gz NLIHECWHVBYNCE-INIZCTEOSA-N 1 1 385.489 3.663 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2n[nH]cc2c1 ZINC000513174297 845010434 /nfs/dbraw/zinc/01/04/34/845010434.db2.gz RISJVAPXNHUAPT-NEPJUHHUSA-N 1 1 378.392 3.933 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000433074090 845178959 /nfs/dbraw/zinc/17/89/59/845178959.db2.gz UWUGIMHNOADQFD-QGZVFWFLSA-N 1 1 383.448 3.594 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000433074090 845178976 /nfs/dbraw/zinc/17/89/76/845178976.db2.gz UWUGIMHNOADQFD-QGZVFWFLSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433075240 845182197 /nfs/dbraw/zinc/18/21/97/845182197.db2.gz XZROTYAUIAHVHO-QGZVFWFLSA-N 1 1 383.448 3.812 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000046432968 845294879 /nfs/dbraw/zinc/29/48/79/845294879.db2.gz IRBYWBYZBLFXPL-HOTGVXAUSA-N 1 1 383.448 3.765 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001126368845 845339357 /nfs/dbraw/zinc/33/93/57/845339357.db2.gz VZWHWZHEARONIJ-KRWDZBQOSA-N 1 1 385.439 3.718 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@]23CCOC3)cc1 ZINC000421401592 846194694 /nfs/dbraw/zinc/19/46/94/846194694.db2.gz ULNBGWHKOANOGZ-QFIPXVFZSA-N 1 1 390.443 3.812 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 ZINC000539379251 846196072 /nfs/dbraw/zinc/19/60/72/846196072.db2.gz SSVIPSHFLKRELB-UONOGXRCSA-N 1 1 398.488 3.902 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000421382911 846199669 /nfs/dbraw/zinc/19/96/69/846199669.db2.gz YWONRWVLIAXWLY-KXBFYZLASA-N 1 1 386.448 3.528 20 5 GHBDMO COc1ccc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000421382925 846199953 /nfs/dbraw/zinc/19/99/53/846199953.db2.gz YXRVYFPUCPTQKF-KXBFYZLASA-N 1 1 386.448 3.528 20 5 GHBDMO C[C@@H](CCc1ccccc1)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000539408548 846206078 /nfs/dbraw/zinc/20/60/78/846206078.db2.gz LLEQUWHUTXLVCS-INIZCTEOSA-N 1 1 387.505 3.683 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000421479844 846262672 /nfs/dbraw/zinc/26/26/72/846262672.db2.gz GSPGCAXBGDBDEI-IEBWSBKVSA-N 1 1 381.476 3.995 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3nccc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000413064619 846527995 /nfs/dbraw/zinc/52/79/95/846527995.db2.gz BBRMIVDDCQEHRB-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3nccc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000413064619 846528005 /nfs/dbraw/zinc/52/80/05/846528005.db2.gz BBRMIVDDCQEHRB-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511087798 846548229 /nfs/dbraw/zinc/54/82/29/846548229.db2.gz BOPTWBOKSJNGML-HNNXBMFYSA-N 1 1 395.381 3.655 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000501061290 846592243 /nfs/dbraw/zinc/59/22/43/846592243.db2.gz VWPVPVBUTHDTCQ-AWEZNQCLSA-N 1 1 387.461 3.722 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)o2)cc1 ZINC000513763429 846822535 /nfs/dbraw/zinc/82/25/35/846822535.db2.gz XTHJAAYNHXOMCF-IBGZPJMESA-N 1 1 385.464 3.542 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc([N+](=O)[O-])c1C ZINC000478056261 846929531 /nfs/dbraw/zinc/92/95/31/846929531.db2.gz YDXZFCTWAIRPCX-UHFFFAOYSA-N 1 1 377.828 3.879 20 5 GHBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413236576 847005248 /nfs/dbraw/zinc/00/52/48/847005248.db2.gz RGZCMIWYFNQUNM-LLVKDONJSA-N 1 1 386.399 3.953 20 5 GHBDMO C[C@H](O)C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513717284 847012034 /nfs/dbraw/zinc/01/20/34/847012034.db2.gz NTVFIBFXJQAGEK-LRQRDZAKSA-N 1 1 394.475 3.562 20 5 GHBDMO C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501616974 847060379 /nfs/dbraw/zinc/06/03/79/847060379.db2.gz LKMPUOQEPJBJJO-CVEARBPZSA-N 1 1 392.459 3.811 20 5 GHBDMO CC[N@@H+](CC(C)(C)O)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000158216220 847086291 /nfs/dbraw/zinc/08/62/91/847086291.db2.gz FRPIESXYVQSZJB-LJQANCHMSA-N 1 1 385.464 3.676 20 5 GHBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000135073961 847206440 /nfs/dbraw/zinc/20/64/40/847206440.db2.gz RFYKRKWNWXONCX-UWJYYQICSA-N 1 1 396.491 3.962 20 5 GHBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000501854406 847261888 /nfs/dbraw/zinc/26/18/88/847261888.db2.gz XYONOQPKUPUOIU-XFQAVAEZSA-N 1 1 387.480 3.593 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481586053 861773809 /nfs/dbraw/zinc/77/38/09/861773809.db2.gz HDAIKHNPMCUPFU-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C2CC2)c1 ZINC000420928611 847548476 /nfs/dbraw/zinc/54/84/76/847548476.db2.gz BUKMDTPNUIWPSI-UHFFFAOYSA-N 1 1 381.476 3.592 20 5 GHBDMO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1Cl ZINC000503571341 847806771 /nfs/dbraw/zinc/80/67/71/847806771.db2.gz NXFFXHSZIHNANB-UHFFFAOYSA-N 1 1 382.819 3.915 20 5 GHBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1Cl ZINC000503571341 847806777 /nfs/dbraw/zinc/80/67/77/847806777.db2.gz NXFFXHSZIHNANB-UHFFFAOYSA-N 1 1 382.819 3.915 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CCO)C2)cc1OC ZINC000611660875 847830120 /nfs/dbraw/zinc/83/01/20/847830120.db2.gz QRTBPJFNXSFXDH-HZPDHXFCSA-N 1 1 380.485 3.623 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000509158719 861881201 /nfs/dbraw/zinc/88/12/01/861881201.db2.gz XKGRHYIEKHPDRG-JLTOFOAXSA-N 1 1 375.419 3.873 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132106336 861909269 /nfs/dbraw/zinc/90/92/69/861909269.db2.gz YLKURZFXWPBYJY-CTNGQTDRSA-N 1 1 379.460 3.722 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000573137448 848885415 /nfs/dbraw/zinc/88/54/15/848885415.db2.gz NYFDKTJEBXFNKQ-GJZGRUSLSA-N 1 1 382.338 3.804 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC[NH2+]2)cc1 ZINC000505573304 849916428 /nfs/dbraw/zinc/91/64/28/849916428.db2.gz SFJPQYIFKJLHMC-LJQANCHMSA-N 1 1 387.867 3.526 20 5 GHBDMO COc1ccc(CC2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000504547062 850138911 /nfs/dbraw/zinc/13/89/11/850138911.db2.gz MEDNBMOMACTYBK-UHFFFAOYSA-N 1 1 397.475 3.805 20 5 GHBDMO Cc1nn(CCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000522590831 862115118 /nfs/dbraw/zinc/11/51/18/862115118.db2.gz YYQFJZKQXLARGB-OAHLLOKOSA-N 1 1 399.495 3.811 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000246320567 850493734 /nfs/dbraw/zinc/49/37/34/850493734.db2.gz GWHIJJUXOVUVSP-SJORKVTESA-N 1 1 399.495 3.731 20 5 GHBDMO C[C@@H](CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[N@@H+](C)C1CC1 ZINC000487582599 850741326 /nfs/dbraw/zinc/74/13/26/850741326.db2.gz LUXVOSKEPHULPX-AWEZNQCLSA-N 1 1 385.489 3.959 20 5 GHBDMO CCOc1cc(N2CC[NH+](CCCCC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000481759055 862180482 /nfs/dbraw/zinc/18/04/82/862180482.db2.gz VUAXGQDDMPRNSL-UHFFFAOYSA-N 1 1 375.391 3.848 20 5 GHBDMO CC[N@H+]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)[C@@H](C)C1 ZINC000910280039 851103678 /nfs/dbraw/zinc/10/36/78/851103678.db2.gz NYUVKJGSWJRICA-ZDUSSCGKSA-N 1 1 399.441 3.516 20 5 GHBDMO Cc1ccc(C[N@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000515559394 851187903 /nfs/dbraw/zinc/18/79/03/851187903.db2.gz NDANPOIBONULQS-UHFFFAOYSA-N 1 1 386.189 3.733 20 5 GHBDMO Cc1ccc(C[N@@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000515559394 851187895 /nfs/dbraw/zinc/18/78/95/851187895.db2.gz NDANPOIBONULQS-UHFFFAOYSA-N 1 1 386.189 3.733 20 5 GHBDMO C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@H+]1CCC[C@H](C)C1 ZINC000436113438 851241456 /nfs/dbraw/zinc/24/14/56/851241456.db2.gz YVSDYONLNTYTSF-LSDHHAIUSA-N 1 1 395.478 3.671 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000425473721 851244176 /nfs/dbraw/zinc/24/41/76/851244176.db2.gz IRKYCVBELOFONG-UHFFFAOYSA-N 1 1 383.286 3.874 20 5 GHBDMO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434611761 851343548 /nfs/dbraw/zinc/34/35/48/851343548.db2.gz KOECCKDPJBDLDB-LJQANCHMSA-N 1 1 394.468 3.837 20 5 GHBDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434611761 851343556 /nfs/dbraw/zinc/34/35/56/851343556.db2.gz KOECCKDPJBDLDB-LJQANCHMSA-N 1 1 394.468 3.837 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521522 862244631 /nfs/dbraw/zinc/24/46/31/862244631.db2.gz OKKAMUQELLAVTM-GCJKJVERSA-N 1 1 397.475 3.941 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1F ZINC000604493307 862252255 /nfs/dbraw/zinc/25/22/55/862252255.db2.gz ISHDLNJFJZNOKR-UHFFFAOYSA-N 1 1 389.427 3.983 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505483450 851525945 /nfs/dbraw/zinc/52/59/45/851525945.db2.gz JAEYQROJMAMRFO-QGZVFWFLSA-N 1 1 385.489 3.666 20 5 GHBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000488513110 851576543 /nfs/dbraw/zinc/57/65/43/851576543.db2.gz KBNPQABAZGYZCR-OXJNMPFZSA-N 1 1 381.476 3.798 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3c(Cl)cccc3C2)c([N+](=O)[O-])c1 ZINC000133854529 851714936 /nfs/dbraw/zinc/71/49/36/851714936.db2.gz KQZNZNJAWOEEEM-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000163099277 862276562 /nfs/dbraw/zinc/27/65/62/862276562.db2.gz LHVHKUNKRNLSEM-SFHVURJKSA-N 1 1 382.464 3.589 20 5 GHBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000473708868 851731729 /nfs/dbraw/zinc/73/17/29/851731729.db2.gz FXOQLEZWTPWRPK-UHFFFAOYSA-N 1 1 384.436 3.945 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000543559820 851831331 /nfs/dbraw/zinc/83/13/31/851831331.db2.gz TVMLOHUAXKJNKU-LJQANCHMSA-N 1 1 397.475 3.565 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000489327646 852233021 /nfs/dbraw/zinc/23/30/21/852233021.db2.gz YRAVMPRYRQTAOK-DLBZAZTESA-N 1 1 396.491 3.710 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000489702451 852535454 /nfs/dbraw/zinc/53/54/54/852535454.db2.gz CCQMBOOFYMYRMH-LLVKDONJSA-N 1 1 386.349 3.866 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000489702451 852535460 /nfs/dbraw/zinc/53/54/60/852535460.db2.gz CCQMBOOFYMYRMH-LLVKDONJSA-N 1 1 386.349 3.866 20 5 GHBDMO CC(C)(CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000029160751 852570108 /nfs/dbraw/zinc/57/01/08/852570108.db2.gz GKEUYOAIGPHQNC-UHFFFAOYSA-N 1 1 399.516 3.640 20 5 GHBDMO C[N@@H+](CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Cc1ccccc1 ZINC000489846234 852604279 /nfs/dbraw/zinc/60/42/79/852604279.db2.gz XKFZQUIVSUOKDF-UHFFFAOYSA-N 1 1 396.491 3.791 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489859288 852613047 /nfs/dbraw/zinc/61/30/47/852613047.db2.gz LULQCESSGNLMNN-QFBILLFUSA-N 1 1 382.464 3.935 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507195655 852666361 /nfs/dbraw/zinc/66/63/61/852666361.db2.gz KELYCWGNDXLLJJ-CVEARBPZSA-N 1 1 383.448 3.728 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466569808 862383306 /nfs/dbraw/zinc/38/33/06/862383306.db2.gz KCPDBHLJYJVJHL-ZDUSSCGKSA-N 1 1 382.892 3.558 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000490079480 852751887 /nfs/dbraw/zinc/75/18/87/852751887.db2.gz KPRQHFLZHWNTBC-NVXWUHKLSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000490079480 852751895 /nfs/dbraw/zinc/75/18/95/852751895.db2.gz KPRQHFLZHWNTBC-NVXWUHKLSA-N 1 1 383.448 3.728 20 5 GHBDMO CC(C)[N@H+](CC(=O)N1CCSc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000516722233 852921773 /nfs/dbraw/zinc/92/17/73/852921773.db2.gz IFODZALZVMHINR-UHFFFAOYSA-N 1 1 385.489 3.944 20 5 GHBDMO CC(C)[N@@H+](CC(=O)N1CCSc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000516722233 852921778 /nfs/dbraw/zinc/92/17/78/852921778.db2.gz IFODZALZVMHINR-UHFFFAOYSA-N 1 1 385.489 3.944 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000506036953 853031412 /nfs/dbraw/zinc/03/14/12/853031412.db2.gz PIBZJCPXSWDQNA-GOSISDBHSA-N 1 1 375.513 3.789 20 5 GHBDMO CN(C)C(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000519656039 853342608 /nfs/dbraw/zinc/34/26/08/853342608.db2.gz SHYRTQMUIZEMTI-KRWDZBQOSA-N 1 1 395.381 3.923 20 5 GHBDMO Cc1ccc(OCC[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000506125162 853514440 /nfs/dbraw/zinc/51/44/40/853514440.db2.gz KKTBQTWWQPOEEH-UHFFFAOYSA-N 1 1 380.448 3.815 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438496522 854037616 /nfs/dbraw/zinc/03/76/16/854037616.db2.gz YKIVBJIKVMWHQJ-QVKFZJNVSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438496522 854037621 /nfs/dbraw/zinc/03/76/21/854037621.db2.gz YKIVBJIKVMWHQJ-QVKFZJNVSA-N 1 1 383.448 3.594 20 5 GHBDMO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000546267842 854205525 /nfs/dbraw/zinc/20/55/25/854205525.db2.gz CGERQALYYCHQGB-UHFFFAOYSA-N 1 1 383.448 3.688 20 5 GHBDMO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000546267842 854205534 /nfs/dbraw/zinc/20/55/34/854205534.db2.gz CGERQALYYCHQGB-UHFFFAOYSA-N 1 1 383.448 3.688 20 5 GHBDMO C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458882480 854410115 /nfs/dbraw/zinc/41/01/15/854410115.db2.gz AKOFKNOYEZVAME-OKZBNKHCSA-N 1 1 388.512 3.952 20 5 GHBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000589209318 854751464 /nfs/dbraw/zinc/75/14/64/854751464.db2.gz FAQBWQCGRQYQCY-CQSZACIVSA-N 1 1 389.839 3.738 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cccc1[N+](=O)[O-] ZINC000589278955 854780576 /nfs/dbraw/zinc/78/05/76/854780576.db2.gz GCSLQUSIJLNXNX-QFIPXVFZSA-N 1 1 395.459 3.702 20 5 GHBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589341422 854798883 /nfs/dbraw/zinc/79/88/83/854798883.db2.gz DYHGCEKXWIOSIA-DLBZAZTESA-N 1 1 398.438 3.720 20 5 GHBDMO CCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184605440 855195002 /nfs/dbraw/zinc/19/50/02/855195002.db2.gz LSDUCRPULBNRAT-LAUBAEHRSA-N 1 1 396.491 3.962 20 5 GHBDMO Cc1cc(-c2noc([C@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC000543548260 862657261 /nfs/dbraw/zinc/65/72/61/862657261.db2.gz HCCJETWEUNHKCE-ZDUSSCGKSA-N 1 1 386.383 3.822 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)cc2[N+](=O)[O-])cc1 ZINC000590447069 855423320 /nfs/dbraw/zinc/42/33/20/855423320.db2.gz YBEBAUBSCWAZDW-LPHOPBHVSA-N 1 1 397.500 3.831 20 5 GHBDMO COC(=O)c1ccnc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000590571432 855494241 /nfs/dbraw/zinc/49/42/41/855494241.db2.gz FRLJWIMXDSINBO-HNNXBMFYSA-N 1 1 398.463 3.763 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591036200 855731075 /nfs/dbraw/zinc/73/10/75/855731075.db2.gz QFZIWTZTUMXSKH-BVYCBKJFSA-N 1 1 393.487 3.727 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000427604987 855788739 /nfs/dbraw/zinc/78/87/39/855788739.db2.gz UYSSAVSJZFAIDJ-MRXNPFEDSA-N 1 1 385.386 3.637 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000554730339 856005679 /nfs/dbraw/zinc/00/56/79/856005679.db2.gz CPJVJODJXMCLKB-FQEVSTJZSA-N 1 1 396.491 3.695 20 5 GHBDMO CCOC(=O)Cc1ccc(NCc2ccc(C)[nH+]c2N2CCCC2)c([N+](=O)[O-])c1 ZINC000591929484 856404600 /nfs/dbraw/zinc/40/46/00/856404600.db2.gz QDFSMPBUJNKCPI-UHFFFAOYSA-N 1 1 398.463 3.616 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172416488 856429408 /nfs/dbraw/zinc/42/94/08/856429408.db2.gz CTAOCILTZFUNTI-HNNXBMFYSA-N 1 1 377.510 3.552 20 5 GHBDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000281040026 862815964 /nfs/dbraw/zinc/81/59/64/862815964.db2.gz PXRIBVRXZXMLFI-GOSISDBHSA-N 1 1 385.468 3.675 20 5 GHBDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000281040026 862815982 /nfs/dbraw/zinc/81/59/82/862815982.db2.gz PXRIBVRXZXMLFI-GOSISDBHSA-N 1 1 385.468 3.675 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCc1ccc2c(c1)CCO2)[C@H]1CC[C@H](O)CC1 ZINC000592130740 856669387 /nfs/dbraw/zinc/66/93/87/856669387.db2.gz LONIELHEPCSNIH-MEMLXQNLSA-N 1 1 396.487 3.878 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592135611 856698175 /nfs/dbraw/zinc/69/81/75/856698175.db2.gz OLBWHJHXKQZJLW-OCCSQVGLSA-N 1 1 375.425 3.536 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592135611 856698183 /nfs/dbraw/zinc/69/81/83/856698183.db2.gz OLBWHJHXKQZJLW-OCCSQVGLSA-N 1 1 375.425 3.536 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000592158413 856745086 /nfs/dbraw/zinc/74/50/86/856745086.db2.gz DLZKYBWNXFMYEI-UHFFFAOYSA-N 1 1 378.469 3.937 20 5 GHBDMO C[C@]1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001270925112 856751542 /nfs/dbraw/zinc/75/15/42/856751542.db2.gz HDOQCTNYJZXTTR-REBWPMHBSA-N 1 1 379.460 3.636 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000542915506 856787009 /nfs/dbraw/zinc/78/70/09/856787009.db2.gz OGLIDSHOPBTWAN-BQFCYCMXSA-N 1 1 393.528 3.943 20 5 GHBDMO CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000485645298 856896275 /nfs/dbraw/zinc/89/62/75/856896275.db2.gz URECIAZZOMEQLL-SFHVURJKSA-N 1 1 396.491 3.694 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3OCC(F)(F)F)C2)nc1 ZINC000173468256 856946520 /nfs/dbraw/zinc/94/65/20/856946520.db2.gz FUGZFIGDLNFKIT-AWEZNQCLSA-N 1 1 396.369 3.617 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1n1ccnc1 ZINC000245693919 857102439 /nfs/dbraw/zinc/10/24/39/857102439.db2.gz AYULUCKZPMOJRX-RDTXWAMCSA-N 1 1 383.477 3.998 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1n1ccnc1 ZINC000245693919 857102449 /nfs/dbraw/zinc/10/24/49/857102449.db2.gz AYULUCKZPMOJRX-RDTXWAMCSA-N 1 1 383.477 3.998 20 5 GHBDMO C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000173996368 857194801 /nfs/dbraw/zinc/19/48/01/857194801.db2.gz LTRONOUKUUYNDZ-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000173996368 857194805 /nfs/dbraw/zinc/19/48/05/857194805.db2.gz LTRONOUKUUYNDZ-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000173996368 857194809 /nfs/dbraw/zinc/19/48/09/857194809.db2.gz LTRONOUKUUYNDZ-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000174170264 857218785 /nfs/dbraw/zinc/21/87/85/857218785.db2.gz IZBKBLCIVBTOLT-CABCVRRESA-N 1 1 394.435 3.596 20 5 GHBDMO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000174170264 857218790 /nfs/dbraw/zinc/21/87/90/857218790.db2.gz IZBKBLCIVBTOLT-CABCVRRESA-N 1 1 394.435 3.596 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485977131 857288612 /nfs/dbraw/zinc/28/86/12/857288612.db2.gz KBZVTLKJFMYNHH-QUCCMNQESA-N 1 1 384.386 3.700 20 5 GHBDMO Cn1cc(C[NH2+]Cc2coc(-c3ccccc3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174475014 857320202 /nfs/dbraw/zinc/32/02/02/857320202.db2.gz JYAGJKIGDHGSCA-UHFFFAOYSA-N 1 1 389.415 3.940 20 5 GHBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000174488491 857323465 /nfs/dbraw/zinc/32/34/65/857323465.db2.gz PMGRJJWFESIYSC-MRXNPFEDSA-N 1 1 382.464 3.752 20 5 GHBDMO CCOc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000246367654 857358021 /nfs/dbraw/zinc/35/80/21/857358021.db2.gz LLUDHYMDYGIXIA-SJORKVTESA-N 1 1 389.496 3.720 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000174971809 857414920 /nfs/dbraw/zinc/41/49/20/857414920.db2.gz GEXGJRWUYOJMSS-MRXNPFEDSA-N 1 1 387.867 3.842 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486251908 857581895 /nfs/dbraw/zinc/58/18/95/857581895.db2.gz OMLFWTAEPOIBSJ-OAHLLOKOSA-N 1 1 396.919 3.602 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000592524593 857670532 /nfs/dbraw/zinc/67/05/32/857670532.db2.gz YRDPGVJAEYBUOQ-MJLBXUHQSA-N 1 1 379.460 3.636 20 5 GHBDMO CSc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000486439594 857738673 /nfs/dbraw/zinc/73/86/73/857738673.db2.gz ZTAILDCEACGYLE-MRXNPFEDSA-N 1 1 385.489 3.663 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCc3cccc(F)c3)C3CC3)o2)cc1 ZINC000113998178 857832707 /nfs/dbraw/zinc/83/27/07/857832707.db2.gz YJAIBANFXSCMBF-UHFFFAOYSA-N 1 1 382.395 3.991 20 5 GHBDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000126942756 858335134 /nfs/dbraw/zinc/33/51/34/858335134.db2.gz TUDIFXNJXHIYLI-LJQANCHMSA-N 1 1 382.464 3.964 20 5 GHBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885550 858335563 /nfs/dbraw/zinc/33/55/63/858335563.db2.gz UXTZBNVUKDPWRN-INIZCTEOSA-N 1 1 385.464 3.519 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000595009149 858365657 /nfs/dbraw/zinc/36/56/57/858365657.db2.gz DXYFWOSELXKXSB-KXBFYZLASA-N 1 1 383.448 3.618 20 5 GHBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000439107141 858397981 /nfs/dbraw/zinc/39/79/81/858397981.db2.gz LKFZSACGTISNLR-LBPRGKRZSA-N 1 1 375.300 3.587 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000159814578 863029778 /nfs/dbraw/zinc/02/97/78/863029778.db2.gz HFFULGZECBKQFM-ZBFHGGJFSA-N 1 1 377.510 3.652 20 5 GHBDMO CCOc1ccccc1NC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000131010436 858537500 /nfs/dbraw/zinc/53/75/00/858537500.db2.gz GRKRISGIKFEWQA-UHFFFAOYSA-N 1 1 383.448 3.987 20 5 GHBDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593093696 858635642 /nfs/dbraw/zinc/63/56/42/858635642.db2.gz DMSYUZVOGIPXJI-OAHLLOKOSA-N 1 1 391.468 3.510 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000595762951 858662654 /nfs/dbraw/zinc/66/26/54/858662654.db2.gz CZMXYHUSEMHGHQ-OAQYLSRUSA-N 1 1 384.432 3.634 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000595740775 858672385 /nfs/dbraw/zinc/67/23/85/858672385.db2.gz BXNOYIOUUZIFJK-QINHECLXSA-N 1 1 397.475 3.532 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595880836 858704896 /nfs/dbraw/zinc/70/48/96/858704896.db2.gz ZWXNWDVPXJOJOG-BUKVSMQUSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595880836 858704905 /nfs/dbraw/zinc/70/49/05/858704905.db2.gz ZWXNWDVPXJOJOG-BUKVSMQUSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000543206688 858883713 /nfs/dbraw/zinc/88/37/13/858883713.db2.gz ZRYWJJALBIJCHS-SJORKVTESA-N 1 1 388.489 3.555 20 5 GHBDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000543206688 858883725 /nfs/dbraw/zinc/88/37/25/858883725.db2.gz ZRYWJJALBIJCHS-SJORKVTESA-N 1 1 388.489 3.555 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000522238132 858887320 /nfs/dbraw/zinc/88/73/20/858887320.db2.gz KYRJZJSTQCUEEX-KRWDZBQOSA-N 1 1 396.491 3.826 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C(F)(F)F)c1 ZINC000596422104 858892767 /nfs/dbraw/zinc/89/27/67/858892767.db2.gz AAPVKNSXXXTXDY-INIZCTEOSA-N 1 1 395.381 3.792 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429291715 858944927 /nfs/dbraw/zinc/94/49/27/858944927.db2.gz IXCVEBXEXAXZDX-CQSZACIVSA-N 1 1 379.258 3.504 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(-c3cccc([N+](=O)[O-])c3)n2)O1 ZINC000596614515 858970085 /nfs/dbraw/zinc/97/00/85/858970085.db2.gz YZOJMYVQGKVQAL-RDTXWAMCSA-N 1 1 380.404 3.607 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(-c3cccc([N+](=O)[O-])c3)n2)O1 ZINC000596614515 858970094 /nfs/dbraw/zinc/97/00/94/858970094.db2.gz YZOJMYVQGKVQAL-RDTXWAMCSA-N 1 1 380.404 3.607 20 5 GHBDMO COc1ccc(C[C@@H](C)[NH2+]C2(c3cccc(Cl)c3)COC2)c([N+](=O)[O-])c1 ZINC001170306733 881382059 /nfs/dbraw/zinc/38/20/59/881382059.db2.gz AYVPLBDIMKDZCE-CYBMUJFWSA-N 1 1 376.840 3.703 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352913 881387681 /nfs/dbraw/zinc/38/76/81/881387681.db2.gz UDTMFWLXPNTFIC-QUCCMNQESA-N 1 1 397.519 3.988 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352913 881387700 /nfs/dbraw/zinc/38/77/00/881387700.db2.gz UDTMFWLXPNTFIC-QUCCMNQESA-N 1 1 397.519 3.988 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543642155 859172944 /nfs/dbraw/zinc/17/29/44/859172944.db2.gz RVGOKWGDXLALQH-CABCVRRESA-N 1 1 378.448 3.852 20 5 GHBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543313619 859233805 /nfs/dbraw/zinc/23/38/05/859233805.db2.gz IAXLTILGRXCAJN-GOSISDBHSA-N 1 1 396.491 3.760 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)sc2C1 ZINC000543321088 859271895 /nfs/dbraw/zinc/27/18/95/859271895.db2.gz LJEWGWHDUSNXJF-UHFFFAOYSA-N 1 1 385.449 3.551 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)sc2C1 ZINC000543321088 859271904 /nfs/dbraw/zinc/27/19/04/859271904.db2.gz LJEWGWHDUSNXJF-UHFFFAOYSA-N 1 1 385.449 3.551 20 5 GHBDMO C[C@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000597094033 859281314 /nfs/dbraw/zinc/28/13/14/859281314.db2.gz AKZRPMYXUGNLLC-NWDGAFQWSA-N 1 1 395.891 3.605 20 5 GHBDMO CC(C)(C)c1ccc(Oc2ccc(C[NH2+]C3(C(N)=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000483310820 859285439 /nfs/dbraw/zinc/28/54/39/859285439.db2.gz OXEWGLQAIOUJMK-UHFFFAOYSA-N 1 1 383.448 3.792 20 5 GHBDMO C[C@@H]1C[N@H+](CC2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C[C@H](C)O1 ZINC000301957810 859288596 /nfs/dbraw/zinc/28/85/96/859288596.db2.gz NYVPXVODYCUUDX-OKILXGFUSA-N 1 1 399.438 3.522 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429411802 859299158 /nfs/dbraw/zinc/29/91/58/859299158.db2.gz YRBDGCZNBKXECD-AWEZNQCLSA-N 1 1 379.258 3.504 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000509394571 859301934 /nfs/dbraw/zinc/30/19/34/859301934.db2.gz ZBXARHURDWESQI-GASCZTMLSA-N 1 1 397.466 3.584 20 5 GHBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000483408620 859342947 /nfs/dbraw/zinc/34/29/47/859342947.db2.gz PHYWHFOQOACTJE-NRFANRHFSA-N 1 1 399.422 3.696 20 5 GHBDMO COCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000483409293 859343903 /nfs/dbraw/zinc/34/39/03/859343903.db2.gz ARCBBCKQJORWPW-JSGCOSHPSA-N 1 1 388.411 3.842 20 5 GHBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597227211 859362463 /nfs/dbraw/zinc/36/24/63/859362463.db2.gz AYQCXYPCWUDCAZ-OAHLLOKOSA-N 1 1 385.489 3.768 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H]3COC[C@H]3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597231174 859366681 /nfs/dbraw/zinc/36/66/81/859366681.db2.gz NYZJHWXGFPHSGV-RBUKOAKNSA-N 1 1 398.459 3.651 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1cccc([N+](=O)[O-])c1 ZINC000593323615 859405926 /nfs/dbraw/zinc/40/59/26/859405926.db2.gz RFPAWJFNODDDME-NQIIRXRSSA-N 1 1 391.475 3.824 20 5 GHBDMO Cc1c(O)ccc2c(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc(=O)oc12 ZINC000764491037 859464210 /nfs/dbraw/zinc/46/42/10/859464210.db2.gz QWYUVCCVCQYSEW-UHFFFAOYSA-N 1 1 380.400 3.880 20 5 GHBDMO Cc1c(O)ccc2c(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc(=O)oc12 ZINC000764491037 859464215 /nfs/dbraw/zinc/46/42/15/859464215.db2.gz QWYUVCCVCQYSEW-UHFFFAOYSA-N 1 1 380.400 3.880 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000764572377 859506163 /nfs/dbraw/zinc/50/61/63/859506163.db2.gz DDDKWQBGSQMCHO-QGZVFWFLSA-N 1 1 385.439 3.636 20 5 GHBDMO O=[N+]([O-])c1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000611112981 859610810 /nfs/dbraw/zinc/61/08/10/859610810.db2.gz ROYBTOCQNWOXNZ-SFHVURJKSA-N 1 1 378.428 3.546 20 5 GHBDMO COc1cc(C[NH2+]Cc2cc(C)ncn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611134755 859617169 /nfs/dbraw/zinc/61/71/69/859617169.db2.gz KHSDCZBKHOTZQA-UHFFFAOYSA-N 1 1 394.431 3.571 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)o2)c(Br)c1 ZINC000611272022 859675490 /nfs/dbraw/zinc/67/54/90/859675490.db2.gz BJRJNCPRGHQGPF-BETUJISGSA-N 1 1 393.237 3.981 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)o2)c(Br)c1 ZINC000611272022 859675495 /nfs/dbraw/zinc/67/54/95/859675495.db2.gz BJRJNCPRGHQGPF-BETUJISGSA-N 1 1 393.237 3.981 20 5 GHBDMO COc1cc(C[N@H+]2CCCOC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611272421 859675913 /nfs/dbraw/zinc/67/59/13/859675913.db2.gz JSTAVJPUGDFBAO-INIZCTEOSA-N 1 1 386.448 3.793 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000611281880 859680831 /nfs/dbraw/zinc/68/08/31/859680831.db2.gz UWRDYTFCSHLKOP-IBGZPJMESA-N 1 1 381.476 3.867 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1CNc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000602020051 859705493 /nfs/dbraw/zinc/70/54/93/859705493.db2.gz IOWKKVUECAYKPX-OXJNMPFZSA-N 1 1 377.448 3.607 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CNc3ccc(N4CC[N@H+]5CCC[C@@H]5C4)cc3)nc2c1 ZINC000895647094 859745275 /nfs/dbraw/zinc/74/52/75/859745275.db2.gz LLYNZIWOYSLZQF-GOSISDBHSA-N 1 1 393.447 3.633 20 5 GHBDMO Cc1nn(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049933 859751818 /nfs/dbraw/zinc/75/18/18/859751818.db2.gz UZEGOHWLYCCLMJ-IBGZPJMESA-N 1 1 393.491 3.664 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000611478132 859775144 /nfs/dbraw/zinc/77/51/44/859775144.db2.gz PBOIPXSTXBMAAW-HNNXBMFYSA-N 1 1 377.510 3.701 20 5 GHBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000250503526 859846605 /nfs/dbraw/zinc/84/66/05/859846605.db2.gz BOLMLLIUZZJAMT-QAPCUYQASA-N 1 1 383.448 3.559 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170347519 881471440 /nfs/dbraw/zinc/47/14/40/881471440.db2.gz RQJTWRSZSFBVOQ-INIZCTEOSA-N 1 1 392.459 3.778 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597860006 859877196 /nfs/dbraw/zinc/87/71/96/859877196.db2.gz JMZPFYCXFWJWJP-LBPRGKRZSA-N 1 1 398.301 3.516 20 5 GHBDMO C[N@@H+](Cc1ccc2nc(NC(=O)c3c(N)cccc3[N+](=O)[O-])sc2c1)C1CC1 ZINC000598026733 860023919 /nfs/dbraw/zinc/02/39/19/860023919.db2.gz CVXVUMOUBAYVFS-UHFFFAOYSA-N 1 1 397.460 3.633 20 5 GHBDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000092659902 860100231 /nfs/dbraw/zinc/10/02/31/860100231.db2.gz UYFJDCHYJVZIKY-ZDUSSCGKSA-N 1 1 391.855 3.986 20 5 GHBDMO CCc1ccc([C@H]2C[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)cc1 ZINC000484542437 860101612 /nfs/dbraw/zinc/10/16/12/860101612.db2.gz QMJULQYXWRTFCO-OAQYLSRUSA-N 1 1 397.475 3.868 20 5 GHBDMO CCc1ccc([C@H]2C[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)cc1 ZINC000484542437 860101616 /nfs/dbraw/zinc/10/16/16/860101616.db2.gz QMJULQYXWRTFCO-OAQYLSRUSA-N 1 1 397.475 3.868 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000555150800 860124879 /nfs/dbraw/zinc/12/48/79/860124879.db2.gz HGUILKVOLZZKMT-AEFFLSMTSA-N 1 1 397.475 3.885 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@H](C)O)C(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093145660 860218611 /nfs/dbraw/zinc/21/86/11/860218611.db2.gz SSNQXDANDZUXFQ-INIZCTEOSA-N 1 1 388.464 3.774 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1Br ZINC000602720961 860230831 /nfs/dbraw/zinc/23/08/31/860230831.db2.gz NDAZIJCMMQLWLS-VIFPVBQESA-N 1 1 399.192 3.509 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(F)c1 ZINC000508964889 860302025 /nfs/dbraw/zinc/30/20/25/860302025.db2.gz FIWKBZNXOIHFNP-LJQANCHMSA-N 1 1 376.359 3.885 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000154889973 860313920 /nfs/dbraw/zinc/31/39/20/860313920.db2.gz GUGONDMEVOQREE-JKSUJKDBSA-N 1 1 388.537 3.610 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602852685 860314292 /nfs/dbraw/zinc/31/42/92/860314292.db2.gz GBNXWWMCTGBHBE-PBHICJAKSA-N 1 1 379.420 3.980 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552276089 860415729 /nfs/dbraw/zinc/41/57/29/860415729.db2.gz KEEFITVGSMSAGO-PKOBYXMFSA-N 1 1 384.480 3.889 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Br)cn1 ZINC000598601400 860430416 /nfs/dbraw/zinc/43/04/16/860430416.db2.gz KIIHNDPGNZYFOI-LLVKDONJSA-N 1 1 380.242 3.920 20 5 GHBDMO Cc1c(CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000124659998 860456512 /nfs/dbraw/zinc/45/65/12/860456512.db2.gz FVDCCKMAQNXXOF-DYESRHJHSA-N 1 1 395.503 3.957 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c(C(F)(F)F)c1 ZINC000301392884 860469802 /nfs/dbraw/zinc/46/98/02/860469802.db2.gz BZQPPMQIRYJIOU-UHFFFAOYSA-N 1 1 381.354 3.641 20 5 GHBDMO Cc1cc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc([N+](=O)[O-])c1 ZINC000552682077 860553914 /nfs/dbraw/zinc/55/39/14/860553914.db2.gz XUSDHJDCNKBGOI-JOCHJYFZSA-N 1 1 379.460 3.641 20 5 GHBDMO Cc1nn(C[N@H+]2CCCN(c3ccc(C)cc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761287816 860567459 /nfs/dbraw/zinc/56/74/59/860567459.db2.gz HFTIHPNWOUYFRK-UHFFFAOYSA-N 1 1 379.464 3.731 20 5 GHBDMO COCC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(C)o1 ZINC000125138935 860591395 /nfs/dbraw/zinc/59/13/95/860591395.db2.gz YWFVHVDTTKWYJO-UHFFFAOYSA-N 1 1 385.420 3.842 20 5 GHBDMO Cc1nn(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761290606 860600034 /nfs/dbraw/zinc/60/00/34/860600034.db2.gz LHRIEMHTOQNSRA-SJLPKXTDSA-N 1 1 385.512 3.797 20 5 GHBDMO Cc1cc(C2([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCOCC2)on1 ZINC000599020323 860743363 /nfs/dbraw/zinc/74/33/63/860743363.db2.gz LLWXEGBALIWLFJ-UHFFFAOYSA-N 1 1 383.404 3.947 20 5 GHBDMO COc1ncc(Br)cc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000599071744 860778234 /nfs/dbraw/zinc/77/82/34/860778234.db2.gz ZIQIVTSEUDYJCS-LLVKDONJSA-N 1 1 380.242 3.920 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000155176105 881584944 /nfs/dbraw/zinc/58/49/44/881584944.db2.gz LWPDSZUXGOUHKA-UWJYYQICSA-N 1 1 381.476 3.554 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)[nH+]c1C ZINC000899510975 860951479 /nfs/dbraw/zinc/95/14/79/860951479.db2.gz HPHVQOPJMJFMOQ-UHFFFAOYSA-N 1 1 396.369 3.973 20 5 GHBDMO COc1ccccc1C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccs1 ZINC000131092337 861187056 /nfs/dbraw/zinc/18/70/56/861187056.db2.gz OKHBGAMMAJCVBV-UHFFFAOYSA-N 1 1 399.472 3.529 20 5 GHBDMO COc1ccccc1C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccs1 ZINC000131092337 861187076 /nfs/dbraw/zinc/18/70/76/861187076.db2.gz OKHBGAMMAJCVBV-UHFFFAOYSA-N 1 1 399.472 3.529 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000062231261 863128449 /nfs/dbraw/zinc/12/84/49/863128449.db2.gz LRJNZFYMBBBSPX-GOSISDBHSA-N 1 1 397.475 3.636 20 5 GHBDMO COc1ccc(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000734300039 864133381 /nfs/dbraw/zinc/13/33/81/864133381.db2.gz SNDUAWIZKLTZJS-KRWDZBQOSA-N 1 1 384.432 3.672 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)C1 ZINC000734482673 864248226 /nfs/dbraw/zinc/24/82/26/864248226.db2.gz SIHNUDPKFWDCHY-HIFRSBDPSA-N 1 1 378.498 3.753 20 5 GHBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475123746 864258501 /nfs/dbraw/zinc/25/85/01/864258501.db2.gz YBEJQEVKLFBYRO-UHFFFAOYSA-N 1 1 397.431 3.650 20 5 GHBDMO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184328968 864370447 /nfs/dbraw/zinc/37/04/47/864370447.db2.gz KNLLYZVLLNRLIA-AEFFLSMTSA-N 1 1 399.466 3.818 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000734843091 864472390 /nfs/dbraw/zinc/47/23/90/864472390.db2.gz GWBDQKWGKBSOGR-JKSUJKDBSA-N 1 1 388.773 3.872 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)n2)c1 ZINC000025938270 864810841 /nfs/dbraw/zinc/81/08/41/864810841.db2.gz JGRSQHROMJOOQV-HXUWFJFHSA-N 1 1 394.431 3.590 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](c3ccc(C)cc3C)C2)cc1[N+](=O)[O-] ZINC000475346717 864834622 /nfs/dbraw/zinc/83/46/22/864834622.db2.gz HQFALHUGTOZMQP-SFHVURJKSA-N 1 1 398.459 3.753 20 5 GHBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3cccc(Br)c3C2)c1 ZINC000735672765 864920027 /nfs/dbraw/zinc/92/00/27/864920027.db2.gz YDQZJQJEYGGDAX-UHFFFAOYSA-N 1 1 377.238 3.794 20 5 GHBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3cccc(Br)c3C2)c1 ZINC000735672765 864920035 /nfs/dbraw/zinc/92/00/35/864920035.db2.gz YDQZJQJEYGGDAX-UHFFFAOYSA-N 1 1 377.238 3.794 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000480818058 865342406 /nfs/dbraw/zinc/34/24/06/865342406.db2.gz JSLVIAZKHDRSMY-CQSZACIVSA-N 1 1 379.526 3.947 20 5 GHBDMO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000608837114 865740776 /nfs/dbraw/zinc/74/07/76/865740776.db2.gz QNMPNYFBAWVWFC-CALCHBBNSA-N 1 1 387.480 3.834 20 5 GHBDMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)s1 ZINC000185277935 865895589 /nfs/dbraw/zinc/89/55/89/865895589.db2.gz VKIRKCYCSYKVDJ-OAHLLOKOSA-N 1 1 380.857 3.693 20 5 GHBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)COc3cccc([N+](=O)[O-])c3)c2C1 ZINC000609063545 866384459 /nfs/dbraw/zinc/38/44/59/866384459.db2.gz NQHWEQBIJGUJOO-UHFFFAOYSA-N 1 1 383.448 3.974 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000475578962 866400062 /nfs/dbraw/zinc/40/00/62/866400062.db2.gz DZOULQDSJNFVHS-UHFFFAOYSA-N 1 1 386.448 3.902 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000534349830 866598948 /nfs/dbraw/zinc/59/89/48/866598948.db2.gz SSSGOLRHWUEIFP-PHIMTYICSA-N 1 1 394.415 3.870 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000534349830 866598960 /nfs/dbraw/zinc/59/89/60/866598960.db2.gz SSSGOLRHWUEIFP-PHIMTYICSA-N 1 1 394.415 3.870 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000553252448 867055612 /nfs/dbraw/zinc/05/56/12/867055612.db2.gz NLMZPQYXTOELLH-HNNXBMFYSA-N 1 1 398.463 3.607 20 5 GHBDMO C[C@H]1C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1c1ccccc1 ZINC000742163303 867087400 /nfs/dbraw/zinc/08/74/00/867087400.db2.gz BLBOVEVQSAVOIV-OXJNMPFZSA-N 1 1 377.448 3.936 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)COc1ccccc1 ZINC000444808494 867239954 /nfs/dbraw/zinc/23/99/54/867239954.db2.gz RZTOOVHOWVLBGS-QGZVFWFLSA-N 1 1 378.856 3.899 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)COc1ccccc1 ZINC000444808494 867239968 /nfs/dbraw/zinc/23/99/68/867239968.db2.gz RZTOOVHOWVLBGS-QGZVFWFLSA-N 1 1 378.856 3.899 20 5 GHBDMO COc1cc(CNCC[N@@H+]2CCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000742386343 867251887 /nfs/dbraw/zinc/25/18/87/867251887.db2.gz AVCHKVUFISNGGP-QGZVFWFLSA-N 1 1 399.491 3.756 20 5 GHBDMO COc1cc(CNCC[N@H+]2CCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000742386343 867251903 /nfs/dbraw/zinc/25/19/03/867251903.db2.gz AVCHKVUFISNGGP-QGZVFWFLSA-N 1 1 399.491 3.756 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000742393351 867260584 /nfs/dbraw/zinc/26/05/84/867260584.db2.gz AXYFUNJXIOTNPJ-IYBDPMFKSA-N 1 1 390.484 3.721 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000444895237 867454419 /nfs/dbraw/zinc/45/44/19/867454419.db2.gz BHAHWTLOPFNLBZ-GOEBONIOSA-N 1 1 384.436 3.560 20 5 GHBDMO Cc1c(CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000479334725 867607298 /nfs/dbraw/zinc/60/72/98/867607298.db2.gz JVOZUDAFFPXKCN-INIZCTEOSA-N 1 1 384.480 3.613 20 5 GHBDMO C[C@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000743036601 867768635 /nfs/dbraw/zinc/76/86/35/867768635.db2.gz NXXMAIJRPCLXQD-INIZCTEOSA-N 1 1 384.505 3.888 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccccc1Cl ZINC000041816334 868163260 /nfs/dbraw/zinc/16/32/60/868163260.db2.gz ICDTVPLNIZSOJD-GOSISDBHSA-N 1 1 386.839 3.762 20 5 GHBDMO C[N@@H+](CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000523979620 868338088 /nfs/dbraw/zinc/33/80/88/868338088.db2.gz OLCIAMMYQJTOGP-UHFFFAOYSA-N 1 1 397.903 3.788 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000553865645 868372580 /nfs/dbraw/zinc/37/25/80/868372580.db2.gz WDGZLCYVSLEFSP-INIZCTEOSA-N 1 1 394.475 3.603 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000462416597 869399476 /nfs/dbraw/zinc/39/94/76/869399476.db2.gz KGTZLQLNAPIBIC-PKOBYXMFSA-N 1 1 395.503 3.727 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000446159265 869475074 /nfs/dbraw/zinc/47/50/74/869475074.db2.gz YWJNNUHVEKPSDS-UHFFFAOYSA-N 1 1 395.503 3.695 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000539672407 869589130 /nfs/dbraw/zinc/58/91/30/869589130.db2.gz WHUYVMCVJVJAAA-KBPBESRZSA-N 1 1 377.510 3.842 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000524838420 869640568 /nfs/dbraw/zinc/64/05/68/869640568.db2.gz WAXZDZHDXBOSQW-UHFFFAOYSA-N 1 1 390.528 3.679 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000524890435 869735119 /nfs/dbraw/zinc/73/51/19/869735119.db2.gz DXIUBVYAAULPDB-CZUORRHYSA-N 1 1 388.493 3.663 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441020213 869764240 /nfs/dbraw/zinc/76/42/40/869764240.db2.gz MQYFNRUZJNSGLK-QRWLVFNGSA-N 1 1 383.448 3.556 20 5 GHBDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539816903 869845512 /nfs/dbraw/zinc/84/55/12/869845512.db2.gz DQBBSOFEGFHGFV-ZDUSSCGKSA-N 1 1 392.502 3.804 20 5 GHBDMO Cc1ccc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000539861818 869910984 /nfs/dbraw/zinc/91/09/84/869910984.db2.gz LPAXTDNCARCIRO-HDICACEKSA-N 1 1 375.513 3.615 20 5 GHBDMO Cc1ccc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000539861818 869910991 /nfs/dbraw/zinc/91/09/91/869910991.db2.gz LPAXTDNCARCIRO-HDICACEKSA-N 1 1 375.513 3.615 20 5 GHBDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000746065030 870006517 /nfs/dbraw/zinc/00/65/17/870006517.db2.gz UPJKHRCYPJNWJG-UHFFFAOYSA-N 1 1 399.264 3.851 20 5 GHBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195491 870148002 /nfs/dbraw/zinc/14/80/02/870148002.db2.gz FEWWRCFGJRDCAV-VQIMIIECSA-N 1 1 399.491 3.755 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195491 870148006 /nfs/dbraw/zinc/14/80/06/870148006.db2.gz FEWWRCFGJRDCAV-VQIMIIECSA-N 1 1 399.491 3.755 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000540015781 870200865 /nfs/dbraw/zinc/20/08/65/870200865.db2.gz ZJBBLLBWKIFGKT-UHFFFAOYSA-N 1 1 388.512 3.611 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001192270980 870254310 /nfs/dbraw/zinc/25/43/10/870254310.db2.gz ABIDMZGCKZKUGL-OAQYLSRUSA-N 1 1 376.460 3.942 20 5 GHBDMO CC(C)c1cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc(N(C)C)[nH+]1 ZINC000462942364 870468376 /nfs/dbraw/zinc/46/83/76/870468376.db2.gz KEGQFEFBSAAVEF-UHFFFAOYSA-N 1 1 385.468 3.622 20 5 GHBDMO COc1sc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1Br ZINC000446852441 870554779 /nfs/dbraw/zinc/55/47/79/870554779.db2.gz JOFFQTNQQKMWBZ-UHFFFAOYSA-N 1 1 397.254 3.594 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000462960361 870579752 /nfs/dbraw/zinc/57/97/52/870579752.db2.gz ZYRXJSWKQIWGBY-KRWDZBQOSA-N 1 1 381.476 3.994 20 5 GHBDMO CC[C@@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1c1ccccc1 ZINC000746382873 870589644 /nfs/dbraw/zinc/58/96/44/870589644.db2.gz OVEAHUXTHXPWGQ-QAPCUYQASA-N 1 1 381.432 3.976 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1c1ccccc1 ZINC000746382873 870589646 /nfs/dbraw/zinc/58/96/46/870589646.db2.gz OVEAHUXTHXPWGQ-QAPCUYQASA-N 1 1 381.432 3.976 20 5 GHBDMO CNc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000462998435 870619387 /nfs/dbraw/zinc/61/93/87/870619387.db2.gz WGHXDHKJZLQZNU-SCLBCKFNSA-N 1 1 388.493 3.511 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000617734137 870838036 /nfs/dbraw/zinc/83/80/36/870838036.db2.gz HKZQBXUHLMZCCE-IXDOHACOSA-N 1 1 397.475 3.946 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000617734137 870838044 /nfs/dbraw/zinc/83/80/44/870838044.db2.gz HKZQBXUHLMZCCE-IXDOHACOSA-N 1 1 397.475 3.946 20 5 GHBDMO Cc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461775422 870922073 /nfs/dbraw/zinc/92/20/73/870922073.db2.gz JEOXCHRTDLDFBR-CYBMUJFWSA-N 1 1 387.402 3.612 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC(CCCn3ccnc3)CC2)o1 ZINC001193336716 871029498 /nfs/dbraw/zinc/02/94/98/871029498.db2.gz ZKXKSECWIGPCOJ-UHFFFAOYSA-N 1 1 396.451 3.534 20 5 GHBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000525616198 871086209 /nfs/dbraw/zinc/08/62/09/871086209.db2.gz VHJZKNVPEJDKFE-MRXNPFEDSA-N 1 1 385.489 3.912 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[N@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169010976 871094638 /nfs/dbraw/zinc/09/46/38/871094638.db2.gz GWGDVBIYGGPPRO-QRQLOZEOSA-N 1 1 395.544 3.933 20 5 GHBDMO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)c([N+](=O)[O-])c1 ZINC000181656813 871347029 /nfs/dbraw/zinc/34/70/29/871347029.db2.gz JZVHSDJOCOXAKD-LJQANCHMSA-N 1 1 393.390 3.807 20 5 GHBDMO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)c([N+](=O)[O-])c1 ZINC000181656791 871347070 /nfs/dbraw/zinc/34/70/70/871347070.db2.gz JZVHSDJOCOXAKD-IBGZPJMESA-N 1 1 393.390 3.807 20 5 GHBDMO COc1cc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000447390659 871523297 /nfs/dbraw/zinc/52/32/97/871523297.db2.gz BPNVARRGCHQZRO-MRXNPFEDSA-N 1 1 392.459 3.862 20 5 GHBDMO COc1cc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000447390659 871523300 /nfs/dbraw/zinc/52/33/00/871523300.db2.gz BPNVARRGCHQZRO-MRXNPFEDSA-N 1 1 392.459 3.862 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000540547018 871544121 /nfs/dbraw/zinc/54/41/21/871544121.db2.gz LLSWUZVSKOIIHL-UHFFFAOYSA-N 1 1 398.394 3.557 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000539245079 871585139 /nfs/dbraw/zinc/58/51/39/871585139.db2.gz VKXPTBBISUFXLB-IAGOWNOFSA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000539245079 871585149 /nfs/dbraw/zinc/58/51/49/871585149.db2.gz VKXPTBBISUFXLB-IAGOWNOFSA-N 1 1 382.464 3.572 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463439983 871803447 /nfs/dbraw/zinc/80/34/47/871803447.db2.gz MKMSEHICOUUBBW-HNNXBMFYSA-N 1 1 393.365 3.618 20 5 GHBDMO CN(CCCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000552045434 871930643 /nfs/dbraw/zinc/93/06/43/871930643.db2.gz GVQAELQILSXZNY-NRFANRHFSA-N 1 1 393.491 3.924 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552047052 871932781 /nfs/dbraw/zinc/93/27/81/871932781.db2.gz YLPBFVCRENFLEF-VQTJNVASSA-N 1 1 385.512 3.662 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000526063451 872064461 /nfs/dbraw/zinc/06/44/61/872064461.db2.gz LHRMECWXUIIBRH-QYAIIROKSA-N 1 1 394.519 3.576 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CCOc3ccc(OC)cc3[N+](=O)[O-])C2)c1 ZINC001195084733 872162862 /nfs/dbraw/zinc/16/28/62/872162862.db2.gz XRQXUYKYDQVONK-QAQDUYKDSA-N 1 1 386.448 3.869 20 5 GHBDMO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767066564 872226391 /nfs/dbraw/zinc/22/63/91/872226391.db2.gz WZRGOIZULCLREM-KZULUSFZSA-N 1 1 391.265 3.838 20 5 GHBDMO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767066564 872226412 /nfs/dbraw/zinc/22/64/12/872226412.db2.gz WZRGOIZULCLREM-KZULUSFZSA-N 1 1 391.265 3.838 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC001195259417 872288186 /nfs/dbraw/zinc/28/81/86/872288186.db2.gz XEFAAMYMMSEGLG-GOSISDBHSA-N 1 1 389.402 3.909 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000767175060 872299281 /nfs/dbraw/zinc/29/92/81/872299281.db2.gz UGBZDDVCEINXPK-UHFFFAOYSA-N 1 1 379.888 3.976 20 5 GHBDMO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cc1F ZINC000029871587 872403466 /nfs/dbraw/zinc/40/34/66/872403466.db2.gz GWQPBGQPKTYLJY-UHFFFAOYSA-N 1 1 396.422 3.613 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182480081 872422627 /nfs/dbraw/zinc/42/26/27/872422627.db2.gz FHULPKSYFDRLSO-ZDUSSCGKSA-N 1 1 385.917 3.577 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182480060 872423207 /nfs/dbraw/zinc/42/32/07/872423207.db2.gz FHULPKSYFDRLSO-CYBMUJFWSA-N 1 1 385.917 3.577 20 5 GHBDMO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCc2ccc(Cl)cc21 ZINC001195766359 872624508 /nfs/dbraw/zinc/62/45/08/872624508.db2.gz DGTZGBCPGLXDCS-AWEZNQCLSA-N 1 1 387.867 3.873 20 5 GHBDMO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCc2ccc(Cl)cc21 ZINC001195766359 872624519 /nfs/dbraw/zinc/62/45/19/872624519.db2.gz DGTZGBCPGLXDCS-AWEZNQCLSA-N 1 1 387.867 3.873 20 5 GHBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000448035785 872724852 /nfs/dbraw/zinc/72/48/52/872724852.db2.gz SIHZTXQAXLJZBT-SFTDATJTSA-N 1 1 394.475 3.603 20 5 GHBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001127247394 872788138 /nfs/dbraw/zinc/78/81/38/872788138.db2.gz WXAAHEBOJYYDNG-XKPGHWPRSA-N 1 1 393.487 3.820 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000767886454 872914794 /nfs/dbraw/zinc/91/47/94/872914794.db2.gz XLZNMKFQIAUNHC-AWEZNQCLSA-N 1 1 393.365 3.702 20 5 GHBDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000460355209 872955741 /nfs/dbraw/zinc/95/57/41/872955741.db2.gz WLXZGWHGNFEUIF-ROUUACIJSA-N 1 1 383.492 3.720 20 5 GHBDMO C[C@H](c1cccc(F)c1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460352996 872956228 /nfs/dbraw/zinc/95/62/28/872956228.db2.gz OYRGRDSWKDENDF-CQSZACIVSA-N 1 1 383.427 3.884 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000541322677 873367626 /nfs/dbraw/zinc/36/76/26/873367626.db2.gz OZZWGVXVQAQBMC-KUHUBIRLSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000541322677 873367635 /nfs/dbraw/zinc/36/76/35/873367635.db2.gz OZZWGVXVQAQBMC-KUHUBIRLSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858014925 882723758 /nfs/dbraw/zinc/72/37/58/882723758.db2.gz UFOJMVKEGHPXBJ-IBGZPJMESA-N 1 1 383.448 3.919 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858014925 882723766 /nfs/dbraw/zinc/72/37/66/882723766.db2.gz UFOJMVKEGHPXBJ-IBGZPJMESA-N 1 1 383.448 3.919 20 5 GHBDMO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001197076414 873582056 /nfs/dbraw/zinc/58/20/56/873582056.db2.gz DFFZVOGVOQVQRA-HXUWFJFHSA-N 1 1 389.402 3.909 20 5 GHBDMO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001197076414 873582062 /nfs/dbraw/zinc/58/20/62/873582062.db2.gz DFFZVOGVOQVQRA-HXUWFJFHSA-N 1 1 389.402 3.909 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448708188 873832387 /nfs/dbraw/zinc/83/23/87/873832387.db2.gz JRIBNKGMNYFXSR-CYBMUJFWSA-N 1 1 387.402 3.856 20 5 GHBDMO C[C@@H](C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000769133195 873832767 /nfs/dbraw/zinc/83/27/67/873832767.db2.gz HTGMVNKJWAAPBF-CYBMUJFWSA-N 1 1 378.375 3.652 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CCC(=O)Nc2ccccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541569717 873882098 /nfs/dbraw/zinc/88/20/98/873882098.db2.gz MAZSSCAPQVNIRM-OAQYLSRUSA-N 1 1 394.431 3.853 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC[N@@H+](CCCc4ccccc4)CC3)c21 ZINC000541579454 873899872 /nfs/dbraw/zinc/89/98/72/873899872.db2.gz TVFSGGIFVOFYHM-UHFFFAOYSA-N 1 1 391.475 3.683 20 5 GHBDMO COc1cc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c([N+](=O)[O-])cc1F ZINC000464482501 873940010 /nfs/dbraw/zinc/94/00/10/873940010.db2.gz ARBUMOSFRKIFMI-ZDUSSCGKSA-N 1 1 379.457 3.683 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541785047 874301001 /nfs/dbraw/zinc/30/10/01/874301001.db2.gz CTBFMRLQNSPREJ-RDTXWAMCSA-N 1 1 386.427 3.766 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541833963 874380682 /nfs/dbraw/zinc/38/06/82/874380682.db2.gz RCDNHFUGUJFEGB-ZDUSSCGKSA-N 1 1 392.456 3.829 20 5 GHBDMO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)NCCC1CCCCC1 ZINC000464784312 874489663 /nfs/dbraw/zinc/48/96/63/874489663.db2.gz WWCTUFPIKKDMSZ-UHFFFAOYSA-N 1 1 389.496 3.525 20 5 GHBDMO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770385319 874670600 /nfs/dbraw/zinc/67/06/00/874670600.db2.gz VYXAJMQSWXSDDP-ZDUSSCGKSA-N 1 1 399.285 3.913 20 5 GHBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770385319 874670604 /nfs/dbraw/zinc/67/06/04/874670604.db2.gz VYXAJMQSWXSDDP-ZDUSSCGKSA-N 1 1 399.285 3.913 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[N@@H+](CC)CC2)cc1OC ZINC000541985862 874671780 /nfs/dbraw/zinc/67/17/80/874671780.db2.gz SLGASRSXKAMSNZ-INIZCTEOSA-N 1 1 379.501 3.556 20 5 GHBDMO C[N@@H+](CCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000487784383 882861482 /nfs/dbraw/zinc/86/14/82/882861482.db2.gz NRURYRGMHKTIMK-UHFFFAOYSA-N 1 1 376.501 3.784 20 5 GHBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)C(N)=O ZINC000449410048 874834354 /nfs/dbraw/zinc/83/43/54/874834354.db2.gz TUIAZBBXCPXMOP-HNNXBMFYSA-N 1 1 385.464 3.968 20 5 GHBDMO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449529135 874979746 /nfs/dbraw/zinc/97/97/46/874979746.db2.gz VCOJDCKIEXKDJT-MRXNPFEDSA-N 1 1 394.518 3.722 20 5 GHBDMO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449529135 874979761 /nfs/dbraw/zinc/97/97/61/874979761.db2.gz VCOJDCKIEXKDJT-MRXNPFEDSA-N 1 1 394.518 3.722 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000542232328 875191274 /nfs/dbraw/zinc/19/12/74/875191274.db2.gz YNQOCHUJALTRJZ-SJLPKXTDSA-N 1 1 399.516 3.856 20 5 GHBDMO Cc1c(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000491342617 875496183 /nfs/dbraw/zinc/49/61/83/875496183.db2.gz JXRVIIIBCKECBP-AEFFLSMTSA-N 1 1 382.464 3.935 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCCn2cc[nH+]c2C)cc1 ZINC000771915489 875554296 /nfs/dbraw/zinc/55/42/96/875554296.db2.gz QZHFFBHOIPCIGM-UHFFFAOYSA-N 1 1 397.387 3.758 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3ccc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC000153108550 875788860 /nfs/dbraw/zinc/78/88/60/875788860.db2.gz GRNUQCWWJWZFPF-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000772602201 876048588 /nfs/dbraw/zinc/04/85/88/876048588.db2.gz XCTBVIFTCJMQJN-QGZVFWFLSA-N 1 1 382.529 3.754 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000776275298 876144099 /nfs/dbraw/zinc/14/40/99/876144099.db2.gz CRFIXCASYPYTGO-MAUKXSAKSA-N 1 1 387.505 3.843 20 5 GHBDMO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278148 876163173 /nfs/dbraw/zinc/16/31/73/876163173.db2.gz RQOPFXXJCOZKHD-MGPUTAFESA-N 1 1 389.883 3.660 20 5 GHBDMO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccns1 ZINC000858319237 883021840 /nfs/dbraw/zinc/02/18/40/883021840.db2.gz YMWMFDUAYCRDIV-QMMMGPOBSA-N 1 1 389.218 3.507 20 5 GHBDMO Cc1nc(N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000450429168 876406119 /nfs/dbraw/zinc/40/61/19/876406119.db2.gz KRXYEZJEVZQRBH-RDJZCZTQSA-N 1 1 377.395 3.607 20 5 GHBDMO Cc1nc(N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000450429168 876406126 /nfs/dbraw/zinc/40/61/26/876406126.db2.gz KRXYEZJEVZQRBH-RDJZCZTQSA-N 1 1 377.395 3.607 20 5 GHBDMO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000786129898 876495450 /nfs/dbraw/zinc/49/54/50/876495450.db2.gz VTLYTDZVMWBPQI-UZLBHIALSA-N 1 1 385.464 3.676 20 5 GHBDMO CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000786129898 876495456 /nfs/dbraw/zinc/49/54/56/876495456.db2.gz VTLYTDZVMWBPQI-UZLBHIALSA-N 1 1 385.464 3.676 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CCC(=O)N2CCCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542494682 883072941 /nfs/dbraw/zinc/07/29/41/883072941.db2.gz MZPWBUJFNILHDO-OAQYLSRUSA-N 1 1 385.464 3.832 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000443947107 876942651 /nfs/dbraw/zinc/94/26/51/876942651.db2.gz NTFYJWWRFUYILJ-SFHVURJKSA-N 1 1 382.464 3.998 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nnc4n3CCCCC4)s2)cc1 ZINC000238003056 883098067 /nfs/dbraw/zinc/09/80/67/883098067.db2.gz TZWFSDZOHRJXCV-UHFFFAOYSA-N 1 1 383.477 3.931 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000858443140 883098527 /nfs/dbraw/zinc/09/85/27/883098527.db2.gz GONQJIGCZPHKAY-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001129703216 883112457 /nfs/dbraw/zinc/11/24/57/883112457.db2.gz DNLFKGFEERVBHY-QGZVFWFLSA-N 1 1 381.476 3.867 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001129703216 883112467 /nfs/dbraw/zinc/11/24/67/883112467.db2.gz DNLFKGFEERVBHY-QGZVFWFLSA-N 1 1 381.476 3.867 20 5 GHBDMO CC(C)(CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000610039236 877321549 /nfs/dbraw/zinc/32/15/49/877321549.db2.gz XGDXRLKWXFSHEE-UHFFFAOYSA-N 1 1 395.503 3.826 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610041856 877323422 /nfs/dbraw/zinc/32/34/22/877323422.db2.gz GKRBDJLCAFKGJR-LPHOPBHVSA-N 1 1 381.476 3.824 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000746696888 877487549 /nfs/dbraw/zinc/48/75/49/877487549.db2.gz AVLNBZFJULENAD-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCN3CCOCC3)o2)c(Cl)c1 ZINC000237814871 878071859 /nfs/dbraw/zinc/07/18/59/878071859.db2.gz WARUIGQCMYNTSM-UHFFFAOYSA-N 1 1 393.871 3.710 20 5 GHBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852095200 878075209 /nfs/dbraw/zinc/07/52/09/878075209.db2.gz LLBYFPQIOAYKRR-HUUCEWRRSA-N 1 1 394.472 3.503 20 5 GHBDMO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451542889 878107054 /nfs/dbraw/zinc/10/70/54/878107054.db2.gz AQHBIWHQUUUXTK-NQIIRXRSSA-N 1 1 393.487 3.937 20 5 GHBDMO C[N@@H+](CCc1ccc(Br)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583179 878165333 /nfs/dbraw/zinc/16/53/33/878165333.db2.gz YUTVVOWJOZEASV-QGZVFWFLSA-N 1 1 379.254 3.565 20 5 GHBDMO CO[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C[C@H]1C ZINC000451578370 878189618 /nfs/dbraw/zinc/18/96/18/878189618.db2.gz XCNPHMWOZHGXPX-HBGVWJBISA-N 1 1 397.475 3.940 20 5 GHBDMO CO[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C[C@H]1C ZINC000451578370 878189631 /nfs/dbraw/zinc/18/96/31/878189631.db2.gz XCNPHMWOZHGXPX-HBGVWJBISA-N 1 1 397.475 3.940 20 5 GHBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000776579174 878190312 /nfs/dbraw/zinc/19/03/12/878190312.db2.gz LEOGPEOXRASQJZ-FGTMMUONSA-N 1 1 397.258 3.525 20 5 GHBDMO COCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581397 878197183 /nfs/dbraw/zinc/19/71/83/878197183.db2.gz DIBVXIIYKDGZGL-GOSISDBHSA-N 1 1 382.819 3.569 20 5 GHBDMO COCC[N@H+](Cc1ccc(F)cc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581397 878197188 /nfs/dbraw/zinc/19/71/88/878197188.db2.gz DIBVXIIYKDGZGL-GOSISDBHSA-N 1 1 382.819 3.569 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)nc1 ZINC000093534482 912322727 /nfs/dbraw/zinc/32/27/27/912322727.db2.gz QLDKBEBVKSUGER-LJQANCHMSA-N 1 1 375.432 3.738 20 5 GHBDMO C[C@H]([NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788633839 878225693 /nfs/dbraw/zinc/22/56/93/878225693.db2.gz VGMCZMUCRXGWIK-ULQDDVLXSA-N 1 1 382.508 3.984 20 5 GHBDMO C[C@H](NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788633839 878225713 /nfs/dbraw/zinc/22/57/13/878225713.db2.gz VGMCZMUCRXGWIK-ULQDDVLXSA-N 1 1 382.508 3.984 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cc1 ZINC000776588739 878290548 /nfs/dbraw/zinc/29/05/48/878290548.db2.gz BJHOFGILJHIKSM-UXHICEINSA-N 1 1 398.484 3.926 20 5 GHBDMO COc1cc(CN2CC[N@@H+](C)CC23CCCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000530687243 878291718 /nfs/dbraw/zinc/29/17/18/878291718.db2.gz LHAOSMPIDGCZEG-UHFFFAOYSA-N 1 1 399.438 3.655 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451855886 878569328 /nfs/dbraw/zinc/56/93/28/878569328.db2.gz OWOXBAGKDRULEH-LJQANCHMSA-N 1 1 385.420 3.752 20 5 GHBDMO COc1ccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597210516 878736748 /nfs/dbraw/zinc/73/67/48/878736748.db2.gz IBGGPMOJHHTGRQ-AVRDEDQJSA-N 1 1 398.459 3.651 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497030 879062997 /nfs/dbraw/zinc/06/29/97/879062997.db2.gz OHHZYAHQYJXUKO-GDBMZVCRSA-N 1 1 381.411 3.828 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[NH+]3CCC([C@H]4CCCCO4)CC3)c2c(Cl)c1 ZINC000853572101 879129438 /nfs/dbraw/zinc/12/94/38/879129438.db2.gz PFMICXHIZHSBSJ-QGZVFWFLSA-N 1 1 378.860 3.837 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761534047 879245078 /nfs/dbraw/zinc/24/50/78/879245078.db2.gz YZAJBFFNZLVLCY-TZMCWYRMSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1ccsc1[C@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000531207100 879326243 /nfs/dbraw/zinc/32/62/43/879326243.db2.gz LIKMMEHNWFBDQS-HNNXBMFYSA-N 1 1 375.475 3.911 20 5 GHBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000493476489 879470106 /nfs/dbraw/zinc/47/01/06/879470106.db2.gz CUVQIDUHNVJYPZ-QRWLVFNGSA-N 1 1 380.448 3.505 20 5 GHBDMO CCOc1cc(N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000531385222 879752917 /nfs/dbraw/zinc/75/29/17/879752917.db2.gz FNRCGBAFFZUKNV-IERDGZPVSA-N 1 1 385.464 3.695 20 5 GHBDMO CCOc1cc(N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000531385222 879752922 /nfs/dbraw/zinc/75/29/22/879752922.db2.gz FNRCGBAFFZUKNV-IERDGZPVSA-N 1 1 385.464 3.695 20 5 GHBDMO C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000790563972 879821456 /nfs/dbraw/zinc/82/14/56/879821456.db2.gz KENMURQBIHBJKN-STQMWFEESA-N 1 1 397.878 3.699 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000790834452 880033639 /nfs/dbraw/zinc/03/36/39/880033639.db2.gz MLFGMDWHWCTUBM-KXBFYZLASA-N 1 1 385.439 3.683 20 5 GHBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520233126 880406043 /nfs/dbraw/zinc/40/60/43/880406043.db2.gz DLHQHWSDYUDCBA-GOSISDBHSA-N 1 1 391.830 3.954 20 5 GHBDMO CSc1ccccc1C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000791601863 880568015 /nfs/dbraw/zinc/56/80/15/880568015.db2.gz PNPIRNPRBOKEOO-UHFFFAOYSA-N 1 1 377.441 3.916 20 5 GHBDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001170160758 880777597 /nfs/dbraw/zinc/77/75/97/880777597.db2.gz IQALTGRZKQHESZ-UZLBHIALSA-N 1 1 379.460 3.957 20 5 GHBDMO C/C(=C/C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000791939553 880791707 /nfs/dbraw/zinc/79/17/07/880791707.db2.gz NXRSGICXRKFKDG-RICGSNFLSA-N 1 1 391.471 3.589 20 5 GHBDMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000792363514 881057118 /nfs/dbraw/zinc/05/71/18/881057118.db2.gz AGRIOBVVHDBNJR-QFIPXVFZSA-N 1 1 394.475 3.855 20 5 GHBDMO CCn1cc([C@@H](O)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cn1 ZINC000792381042 881089572 /nfs/dbraw/zinc/08/95/72/881089572.db2.gz ZIWZPIUGLZXSCF-QFIPXVFZSA-N 1 1 394.475 3.590 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000609455589 883248479 /nfs/dbraw/zinc/24/84/79/883248479.db2.gz HWHAXGCAQGJPBF-HNNXBMFYSA-N 1 1 377.828 3.626 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000609455589 883248496 /nfs/dbraw/zinc/24/84/96/883248496.db2.gz HWHAXGCAQGJPBF-HNNXBMFYSA-N 1 1 377.828 3.626 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000064521929 883614738 /nfs/dbraw/zinc/61/47/38/883614738.db2.gz GDENRCXIELPIHP-ZDUSSCGKSA-N 1 1 393.896 3.952 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609909275 883791132 /nfs/dbraw/zinc/79/11/32/883791132.db2.gz ZYYWSIRVYWINLZ-INIZCTEOSA-N 1 1 394.475 3.516 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609909275 883791142 /nfs/dbraw/zinc/79/11/42/883791142.db2.gz ZYYWSIRVYWINLZ-INIZCTEOSA-N 1 1 394.475 3.516 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H](C)C1 ZINC000859417345 883804397 /nfs/dbraw/zinc/80/43/97/883804397.db2.gz QPCCYXNSTSGQPH-KKSFZXQISA-N 1 1 399.491 3.615 20 5 GHBDMO COc1c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cccc1[N+](=O)[O-] ZINC000476235254 884288504 /nfs/dbraw/zinc/28/85/04/884288504.db2.gz IANRSMGIALPXGN-ZDUSSCGKSA-N 1 1 380.404 3.589 20 5 GHBDMO CCOc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001131000615 885567840 /nfs/dbraw/zinc/56/78/40/885567840.db2.gz XMKYRAYDLRMFTL-QGZVFWFLSA-N 1 1 383.448 3.844 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000194915318 885687120 /nfs/dbraw/zinc/68/71/20/885687120.db2.gz XSRREYPTQLXGLI-SFHVURJKSA-N 1 1 385.439 3.605 20 5 GHBDMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000194927345 885764904 /nfs/dbraw/zinc/76/49/04/885764904.db2.gz VVVUUHSFGKFWQY-HNNXBMFYSA-N 1 1 397.435 3.683 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000532573209 886143989 /nfs/dbraw/zinc/14/39/89/886143989.db2.gz DLTFPZMTNYOHIP-UKRRQHHQSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000532573209 886143997 /nfs/dbraw/zinc/14/39/97/886143997.db2.gz DLTFPZMTNYOHIP-UKRRQHHQSA-N 1 1 387.411 3.559 20 5 GHBDMO O=C(C[NH+]1CCC(c2ccccc2F)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532574178 886146697 /nfs/dbraw/zinc/14/66/97/886146697.db2.gz IJIIYHOAOAHUPP-UHFFFAOYSA-N 1 1 383.423 3.503 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001131287552 886327574 /nfs/dbraw/zinc/32/75/74/886327574.db2.gz KSJRGUOEOUOKIT-MRXNPFEDSA-N 1 1 387.867 3.572 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000193772443 887445209 /nfs/dbraw/zinc/44/52/09/887445209.db2.gz VQYSELQYOPWINX-MRXNPFEDSA-N 1 1 385.489 3.569 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000532701380 888339630 /nfs/dbraw/zinc/33/96/30/888339630.db2.gz VBRODGMUFPQTIJ-SCTDSRPQSA-N 1 1 388.512 3.569 20 5 GHBDMO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000619569486 888740919 /nfs/dbraw/zinc/74/09/19/888740919.db2.gz SJWBZWGZCLOJGN-BMGDILEWSA-N 1 1 395.887 3.592 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000619569486 888740934 /nfs/dbraw/zinc/74/09/34/888740934.db2.gz SJWBZWGZCLOJGN-BMGDILEWSA-N 1 1 395.887 3.592 20 5 GHBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)nc1 ZINC000174831855 889129335 /nfs/dbraw/zinc/12/93/35/889129335.db2.gz UIQFCHNTQHJUHF-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(C[C@H]2CCC[N@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000532960239 889433755 /nfs/dbraw/zinc/43/37/55/889433755.db2.gz ZRWVKHMWHTUBMA-GOSISDBHSA-N 1 1 395.459 3.908 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000532990167 889515380 /nfs/dbraw/zinc/51/53/80/889515380.db2.gz JFVYDDBEXKWPCA-GFCCVEGCSA-N 1 1 399.875 3.629 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000532990167 889515388 /nfs/dbraw/zinc/51/53/88/889515388.db2.gz JFVYDDBEXKWPCA-GFCCVEGCSA-N 1 1 399.875 3.629 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000454758784 889699690 /nfs/dbraw/zinc/69/96/90/889699690.db2.gz LAURCDYBYJXRIQ-MSOLQXFVSA-N 1 1 396.491 3.819 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000533429136 890541120 /nfs/dbraw/zinc/54/11/20/890541120.db2.gz NGGJOQMIGWDKDU-VHSSKADRSA-N 1 1 395.887 3.712 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000812763113 890914056 /nfs/dbraw/zinc/91/40/56/890914056.db2.gz PFDDHWXGMRNFDI-FQEVSTJZSA-N 1 1 375.469 3.879 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000812854449 891048058 /nfs/dbraw/zinc/04/80/58/891048058.db2.gz XQSYFOJYYQNIRX-DJJJIMSYSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000812854449 891048073 /nfs/dbraw/zinc/04/80/73/891048073.db2.gz XQSYFOJYYQNIRX-DJJJIMSYSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812854450 891048219 /nfs/dbraw/zinc/04/82/19/891048219.db2.gz XQSYFOJYYQNIRX-ORAYPTAESA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812854450 891048233 /nfs/dbraw/zinc/04/82/33/891048233.db2.gz XQSYFOJYYQNIRX-ORAYPTAESA-N 1 1 391.855 3.631 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000872035660 891128649 /nfs/dbraw/zinc/12/86/49/891128649.db2.gz XYBSSALABSNWLY-HNNXBMFYSA-N 1 1 379.526 3.612 20 5 GHBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000813492217 891648450 /nfs/dbraw/zinc/64/84/50/891648450.db2.gz KLDQUHQPILUPDU-BDJLRTHQSA-N 1 1 398.290 3.991 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000813823133 891996446 /nfs/dbraw/zinc/99/64/46/891996446.db2.gz FWAZWRNGAONLOM-DMCPXADVSA-N 1 1 379.460 3.777 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@H]3CCc3ccccc3)n2)c1 ZINC000917478116 892040780 /nfs/dbraw/zinc/04/07/80/892040780.db2.gz JSLZRFBEEOSLDO-IBGZPJMESA-N 1 1 377.448 3.908 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 ZINC000814224704 892417892 /nfs/dbraw/zinc/41/78/92/892417892.db2.gz LWGZVTSGCYUXTB-LJQANCHMSA-N 1 1 377.448 3.863 20 5 GHBDMO Cc1c(OC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000917755705 892480128 /nfs/dbraw/zinc/48/01/28/892480128.db2.gz IDVTUEPGBJWLRZ-HUUCEWRRSA-N 1 1 384.432 3.732 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc([S@](C)=O)cc1 ZINC000533742911 892720167 /nfs/dbraw/zinc/72/01/67/892720167.db2.gz NXYMFNOHINYRDH-QYOLQKOISA-N 1 1 384.404 3.784 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1CCCC1 ZINC000194578105 893122964 /nfs/dbraw/zinc/12/29/64/893122964.db2.gz PIBZQLNVLGPKRQ-UHFFFAOYSA-N 1 1 397.475 3.778 20 5 GHBDMO C[C@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000498149257 893409988 /nfs/dbraw/zinc/40/99/88/893409988.db2.gz GTFXMQJKQUYSIU-QVKFZJNVSA-N 1 1 397.500 3.616 20 5 GHBDMO C[C@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000498149257 893409994 /nfs/dbraw/zinc/40/99/94/893409994.db2.gz GTFXMQJKQUYSIU-QVKFZJNVSA-N 1 1 397.500 3.616 20 5 GHBDMO NC(=O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccccc1 ZINC000536672785 893508306 /nfs/dbraw/zinc/50/83/06/893508306.db2.gz NOTXVXHXXNMDOO-UHFFFAOYSA-N 1 1 381.457 3.811 20 5 GHBDMO NC(=O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccccc1 ZINC000536672785 893508326 /nfs/dbraw/zinc/50/83/26/893508326.db2.gz NOTXVXHXXNMDOO-UHFFFAOYSA-N 1 1 381.457 3.811 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934335509 893553866 /nfs/dbraw/zinc/55/38/66/893553866.db2.gz IRBUMQADYWCSRD-CHWSQXEVSA-N 1 1 385.449 3.727 20 5 GHBDMO COc1cc(CN2CC[N@@H+](C)CC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536682799 893554990 /nfs/dbraw/zinc/55/49/90/893554990.db2.gz JFNTYSOWXPXYJU-QGZVFWFLSA-N 1 1 399.491 3.708 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC4(CC3)OCCc3ccccc34)nc2c1 ZINC000459516572 893681672 /nfs/dbraw/zinc/68/16/72/893681672.db2.gz HXCVHJMJZBKPQL-UHFFFAOYSA-N 1 1 379.416 3.800 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000064249479 893939805 /nfs/dbraw/zinc/93/98/05/893939805.db2.gz YCMDTAACORIOFV-FUHWJXTLSA-N 1 1 390.867 3.695 20 5 GHBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000459775882 894177243 /nfs/dbraw/zinc/17/72/43/894177243.db2.gz XYELXGKNUVXKBK-CQSZACIVSA-N 1 1 387.411 3.595 20 5 GHBDMO NC(=O)c1ccc(CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000563886578 894298016 /nfs/dbraw/zinc/29/80/16/894298016.db2.gz PRMYKNBBNZTVKT-SFHVURJKSA-N 1 1 385.489 3.592 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH+]2CCC([C@H]3CCCO3)CC2)o1 ZINC000878483529 894325458 /nfs/dbraw/zinc/32/54/58/894325458.db2.gz NFJJPGVADZASDB-MRXNPFEDSA-N 1 1 392.843 3.689 20 5 GHBDMO CO[C@@]1(C)CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878540072 894371827 /nfs/dbraw/zinc/37/18/27/894371827.db2.gz FLZWFQBTTVQUII-KRWDZBQOSA-N 1 1 380.832 3.689 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249170 894930273 /nfs/dbraw/zinc/93/02/73/894930273.db2.gz HENMJVLEMWGFRO-OAHLLOKOSA-N 1 1 385.468 3.514 20 5 GHBDMO COc1cc(C[N@@H+]2CCC=C(c3ccccn3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000565578086 895736794 /nfs/dbraw/zinc/73/67/94/895736794.db2.gz ZEMWHVXNPALCNJ-UHFFFAOYSA-N 1 1 391.374 3.889 20 5 GHBDMO COc1cc(C[N@H+]2CCC=C(c3ccccn3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000565578086 895736809 /nfs/dbraw/zinc/73/68/09/895736809.db2.gz ZEMWHVXNPALCNJ-UHFFFAOYSA-N 1 1 391.374 3.889 20 5 GHBDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774911231 914012877 /nfs/dbraw/zinc/01/28/77/914012877.db2.gz XBKQVFVHQBYFDI-QGZVFWFLSA-N 1 1 395.419 3.826 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000566011181 896047051 /nfs/dbraw/zinc/04/70/51/896047051.db2.gz MBCCGXMZIATMCW-YOEHRIQHSA-N 1 1 387.867 3.889 20 5 GHBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC001170891985 896083086 /nfs/dbraw/zinc/08/30/86/896083086.db2.gz OKJFMVQHRSAVGU-UHFFFAOYSA-N 1 1 392.459 3.734 20 5 GHBDMO CCc1nc2cc(C[NH2+]Cc3cc(OC)c(O)cc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000566690712 896495756 /nfs/dbraw/zinc/49/57/56/896495756.db2.gz HJQCDZRHZVRTTO-UHFFFAOYSA-N 1 1 396.447 3.846 20 5 GHBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000568389897 897801781 /nfs/dbraw/zinc/80/17/81/897801781.db2.gz GBCZBUXYGVGABA-LJQANCHMSA-N 1 1 383.448 3.514 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000103133388 898067543 /nfs/dbraw/zinc/06/75/43/898067543.db2.gz VRYLURNXOJMHSP-MRXNPFEDSA-N 1 1 387.867 3.543 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N3CC[NH+](Cc4cccc(F)c4)CC3)c2c1 ZINC001185996331 914222808 /nfs/dbraw/zinc/22/28/08/914222808.db2.gz ZVHIQXFTXCKOSQ-UHFFFAOYSA-N 1 1 396.422 3.613 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000568830944 898143588 /nfs/dbraw/zinc/14/35/88/898143588.db2.gz VNCYNEUAVMUKOI-VIFPVBQESA-N 1 1 380.317 3.540 20 5 GHBDMO Cn1ccnc1[C@@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000569248695 898466270 /nfs/dbraw/zinc/46/62/70/898466270.db2.gz CLQCDFAKXMZNOJ-RTWAWAEBSA-N 1 1 397.523 3.804 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000825215282 900030773 /nfs/dbraw/zinc/03/07/73/900030773.db2.gz KZRAFIAKGFECOJ-FOIQADDNSA-N 1 1 383.448 3.641 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000844148924 900557057 /nfs/dbraw/zinc/55/70/57/900557057.db2.gz JOPWUAQIURJLIZ-WBVHZDCISA-N 1 1 387.867 3.632 20 5 GHBDMO Cn1cncc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000575166583 901147718 /nfs/dbraw/zinc/14/77/18/901147718.db2.gz PSLFBZBPXYVQEI-UHFFFAOYSA-N 1 1 391.225 3.641 20 5 GHBDMO CC1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000575251622 901181513 /nfs/dbraw/zinc/18/15/13/901181513.db2.gz WYRWEDCKOMZHON-ZJTDPSCFSA-N 1 1 398.463 3.814 20 5 GHBDMO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000575251622 901181521 /nfs/dbraw/zinc/18/15/21/901181521.db2.gz WYRWEDCKOMZHON-ZJTDPSCFSA-N 1 1 398.463 3.814 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000047174676 901507501 /nfs/dbraw/zinc/50/75/01/901507501.db2.gz DWCWPUZFSCLUKO-GFCCVEGCSA-N 1 1 383.433 3.603 20 5 GHBDMO CCOc1cccc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000576010678 901583681 /nfs/dbraw/zinc/58/36/81/901583681.db2.gz GHGOQYSCYIVXOY-HXUWFJFHSA-N 1 1 380.448 3.649 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@H]4CCCCC4(F)F)CC3)nc2c1 ZINC000576194798 901786657 /nfs/dbraw/zinc/78/66/57/901786657.db2.gz GXPGBORNXSSMOU-CQSZACIVSA-N 1 1 393.438 3.809 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000577393903 902734796 /nfs/dbraw/zinc/73/47/96/902734796.db2.gz DOYHAWNTGBSDFM-DYESRHJHSA-N 1 1 397.475 3.677 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000577393903 902734806 /nfs/dbraw/zinc/73/48/06/902734806.db2.gz DOYHAWNTGBSDFM-DYESRHJHSA-N 1 1 397.475 3.677 20 5 GHBDMO C[C@@H]1[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001186640076 914699095 /nfs/dbraw/zinc/69/90/95/914699095.db2.gz WQZJRDXTZIAAJC-CRAIPNDOSA-N 1 1 392.459 3.522 20 5 GHBDMO CC1CCN(C(=O)C2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000601105618 903338508 /nfs/dbraw/zinc/33/85/08/903338508.db2.gz JHLHHOWPHNFYTA-UHFFFAOYSA-N 1 1 382.464 3.618 20 5 GHBDMO CC[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000578735706 904090034 /nfs/dbraw/zinc/09/00/34/904090034.db2.gz XYXRAQDMMDIUJE-GOSISDBHSA-N 1 1 389.883 3.818 20 5 GHBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC[C@@H]21 ZINC001171813859 905072646 /nfs/dbraw/zinc/07/26/46/905072646.db2.gz CZJCZQQQUJMPKW-KDOFPFPSSA-N 1 1 389.521 3.796 20 5 GHBDMO CC(C)OCc1nc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000290930701 914874693 /nfs/dbraw/zinc/87/46/93/914874693.db2.gz OWXXWVVSWWVWPD-YQQAZPJKSA-N 1 1 388.468 3.965 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2nn(CC)cc21 ZINC001172908306 905935478 /nfs/dbraw/zinc/93/54/78/905935478.db2.gz NEEKGMLWQFVLIN-RBUKOAKNSA-N 1 1 398.507 3.695 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2nn(CC)cc21 ZINC001172908306 905935499 /nfs/dbraw/zinc/93/54/99/905935499.db2.gz NEEKGMLWQFVLIN-RBUKOAKNSA-N 1 1 398.507 3.695 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC(N3CCC(F)CC3)CC1)CC2 ZINC001172916849 905988480 /nfs/dbraw/zinc/98/84/80/905988480.db2.gz UFPGKIPKAVHRTJ-LJQANCHMSA-N 1 1 375.488 3.741 20 5 GHBDMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911441 906018621 /nfs/dbraw/zinc/01/86/21/906018621.db2.gz BZRDYWYONOHLDO-CTNGQTDRSA-N 1 1 379.460 3.945 20 5 GHBDMO Cc1cnc2c(c1)C[N@@H+](C1CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC1)CC2 ZINC001173019972 906096401 /nfs/dbraw/zinc/09/64/01/906096401.db2.gz NLNGBDVOCDLUPJ-UHFFFAOYSA-N 1 1 388.418 3.604 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@H]2COCc2ccccc2)c1F ZINC001173187610 906268976 /nfs/dbraw/zinc/26/89/76/906268976.db2.gz ATQDZAMAVTYFTJ-WBVHZDCISA-N 1 1 388.439 3.965 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H]2COCc2ccccc2)c1F ZINC001173187610 906268989 /nfs/dbraw/zinc/26/89/89/906268989.db2.gz ATQDZAMAVTYFTJ-WBVHZDCISA-N 1 1 388.439 3.965 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc(OC)c1 ZINC001173189257 906269955 /nfs/dbraw/zinc/26/99/55/906269955.db2.gz JXLLCEGJLMXFHA-ZDUSSCGKSA-N 1 1 392.427 3.823 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c1F ZINC001173190739 906271990 /nfs/dbraw/zinc/27/19/90/906271990.db2.gz WKWKQXSQJFTYBG-SZMVWBNQSA-N 1 1 399.466 3.632 20 5 GHBDMO CCCCN1CCC([N@H+](C)[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173194714 906279247 /nfs/dbraw/zinc/27/92/47/906279247.db2.gz YWGGGVIMXHNMNJ-HNNXBMFYSA-N 1 1 381.492 3.870 20 5 GHBDMO CCCCN1CCC([N@@H+](C)[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173194714 906279262 /nfs/dbraw/zinc/27/92/62/906279262.db2.gz YWGGGVIMXHNMNJ-HNNXBMFYSA-N 1 1 381.492 3.870 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](Oc3ccncc3C)C2)c1F ZINC001173193949 906279559 /nfs/dbraw/zinc/27/95/59/906279559.db2.gz SDIYZRSURDDKEH-LSDHHAIUSA-N 1 1 389.427 3.530 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001173225325 906308063 /nfs/dbraw/zinc/30/80/63/906308063.db2.gz JGPFGVQBNRKMPH-OAHLLOKOSA-N 1 1 394.431 3.546 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173233276 906317506 /nfs/dbraw/zinc/31/75/06/906317506.db2.gz VDMFDSXPARMPBE-COPCDDAFSA-N 1 1 379.504 3.980 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173233276 906317522 /nfs/dbraw/zinc/31/75/22/906317522.db2.gz VDMFDSXPARMPBE-COPCDDAFSA-N 1 1 379.504 3.980 20 5 GHBDMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001175255071 907469670 /nfs/dbraw/zinc/46/96/70/907469670.db2.gz HSEVWVYXHYTIJO-GOSISDBHSA-N 1 1 385.439 3.861 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1OC ZINC001176071406 907901285 /nfs/dbraw/zinc/90/12/85/907901285.db2.gz XXGLUSPOGAMPAK-RYQLBKOJSA-N 1 1 391.512 3.697 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000718019120 909077791 /nfs/dbraw/zinc/07/77/91/909077791.db2.gz NVUMJAZDSGPNBP-LJQANCHMSA-N 1 1 387.867 3.889 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000266541462 909211613 /nfs/dbraw/zinc/21/16/13/909211613.db2.gz MMIINSCLGQHZAC-GOSISDBHSA-N 1 1 397.475 3.588 20 5 GHBDMO CCC[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000268818505 910031355 /nfs/dbraw/zinc/03/13/55/910031355.db2.gz GCHHSNHHUUEUPS-NRFANRHFSA-N 1 1 398.507 3.517 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000246258608 910207766 /nfs/dbraw/zinc/20/77/66/910207766.db2.gz KOMATUCVFWACAS-YMPZKCBVSA-N 1 1 395.503 3.615 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000271610449 910983804 /nfs/dbraw/zinc/98/38/04/910983804.db2.gz KEYHICMYJZSCIY-NEPJUHHUSA-N 1 1 379.363 3.874 20 5 GHBDMO CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775062562 914901391 /nfs/dbraw/zinc/90/13/91/914901391.db2.gz BPSNSDUXMFQLMN-LJQANCHMSA-N 1 1 384.436 3.599 20 5 GHBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000303818841 915157433 /nfs/dbraw/zinc/15/74/33/915157433.db2.gz JREBVTJWMZDNQL-QZTJIDSGSA-N 1 1 378.469 3.877 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000802011125 921756035 /nfs/dbraw/zinc/75/60/35/921756035.db2.gz LQZCQOANFXRDHM-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000802011125 921756041 /nfs/dbraw/zinc/75/60/41/921756041.db2.gz LQZCQOANFXRDHM-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO Cc1cc(N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)c(F)cc1[N+](=O)[O-] ZINC001187429930 915286252 /nfs/dbraw/zinc/28/62/52/915286252.db2.gz GLJKYLKWYMJWOG-HTAPYJJXSA-N 1 1 399.466 3.912 20 5 GHBDMO Cc1ccccc1[C@@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000796418166 916802727 /nfs/dbraw/zinc/80/27/27/916802727.db2.gz OYBLNHNZSWUJPD-IERDGZPVSA-N 1 1 397.475 3.676 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1csc(CC)n1 ZINC001190042543 917072521 /nfs/dbraw/zinc/07/25/21/917072521.db2.gz OBNGEIQWGDZOBJ-UHFFFAOYSA-N 1 1 392.484 3.962 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccc(-n4ccnc4)nc3)cs2)c1 ZINC000362731454 917388367 /nfs/dbraw/zinc/38/83/67/917388367.db2.gz QCXBPJUYQHFMNI-UHFFFAOYSA-N 1 1 392.444 3.589 20 5 GHBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001191474265 918010712 /nfs/dbraw/zinc/01/07/12/918010712.db2.gz ICIAAAWMOFITEG-MMOPVJDHSA-N 1 1 379.460 3.653 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007406353 919205680 /nfs/dbraw/zinc/20/56/80/919205680.db2.gz ZKCAACDCCQKIGZ-MRXNPFEDSA-N 1 1 377.828 3.798 20 5 GHBDMO O=C(CC1CCCC1)NCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113332308 919366672 /nfs/dbraw/zinc/36/66/72/919366672.db2.gz BKZWVZAMHNZLOH-UHFFFAOYSA-N 1 1 388.493 3.504 20 5 GHBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000016554389 919437736 /nfs/dbraw/zinc/43/77/36/919437736.db2.gz VVEBCVRQJQBTBE-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000016554389 919437766 /nfs/dbraw/zinc/43/77/66/919437766.db2.gz VVEBCVRQJQBTBE-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000115443838 919453218 /nfs/dbraw/zinc/45/32/18/919453218.db2.gz QDAWANKQMVKKEO-GOSISDBHSA-N 1 1 396.491 3.621 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000364535049 919600570 /nfs/dbraw/zinc/60/05/70/919600570.db2.gz ZCWRFWLQJDVSFW-RDJZCZTQSA-N 1 1 399.516 3.957 20 5 GHBDMO Cc1cc(F)cc2c1C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC2 ZINC000800471128 920144686 /nfs/dbraw/zinc/14/46/86/920144686.db2.gz PBYBEBDJPMOEJE-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000900800213 920620991 /nfs/dbraw/zinc/62/09/91/920620991.db2.gz MNYKEZIWASZSLV-ZJUUUORDSA-N 1 1 392.258 3.986 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000900820696 920634922 /nfs/dbraw/zinc/63/49/22/920634922.db2.gz ACSGVLJWHZHPKQ-SKDRFNHKSA-N 1 1 392.258 3.843 20 5 GHBDMO C[N@H+]1CCCN(CCCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000748534755 923707532 /nfs/dbraw/zinc/70/75/32/923707532.db2.gz JNESKCQAISRAAY-UHFFFAOYSA-N 1 1 394.825 3.707 20 5 GHBDMO CN1CCC[N@H+](CCCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000748534755 923707544 /nfs/dbraw/zinc/70/75/44/923707544.db2.gz JNESKCQAISRAAY-UHFFFAOYSA-N 1 1 394.825 3.707 20 5 GHBDMO CN1CCC[N@@H+](CCCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000748534755 923707551 /nfs/dbraw/zinc/70/75/51/923707551.db2.gz JNESKCQAISRAAY-UHFFFAOYSA-N 1 1 394.825 3.707 20 5 GHBDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000409863880 925079269 /nfs/dbraw/zinc/07/92/69/925079269.db2.gz HCDXRRMKRSTMTD-SFHVURJKSA-N 1 1 399.447 3.778 20 5 GHBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000411295499 926279606 /nfs/dbraw/zinc/27/96/06/926279606.db2.gz JHIQOEAHOTWPSA-DZGCQCFKSA-N 1 1 381.498 3.538 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000374224866 926913157 /nfs/dbraw/zinc/91/31/57/926913157.db2.gz YKXHPJWKFBZDOK-KSSFIOAISA-N 1 1 380.404 3.859 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000374224866 926913162 /nfs/dbraw/zinc/91/31/62/926913162.db2.gz YKXHPJWKFBZDOK-KSSFIOAISA-N 1 1 380.404 3.859 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@@H](O)c3ccccc3)n2)c1 ZINC000750608416 927746624 /nfs/dbraw/zinc/74/66/24/927746624.db2.gz GMYJDCNABVPLSH-ICSRJNTNSA-N 1 1 394.431 3.733 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000750617257 927754828 /nfs/dbraw/zinc/75/48/28/927754828.db2.gz UFDPIUBQTMAOJP-UNMCSNQZSA-N 1 1 397.475 3.820 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000467042793 928630856 /nfs/dbraw/zinc/63/08/56/928630856.db2.gz CKOYUGOUQJTWDF-APWZRJJASA-N 1 1 381.476 3.652 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000544063000 928754690 /nfs/dbraw/zinc/75/46/90/928754690.db2.gz YASHPEJDDRISKU-UHFFFAOYSA-N 1 1 388.493 3.734 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000544063000 928754698 /nfs/dbraw/zinc/75/46/98/928754698.db2.gz YASHPEJDDRISKU-UHFFFAOYSA-N 1 1 388.493 3.734 20 5 GHBDMO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000752352447 928788351 /nfs/dbraw/zinc/78/83/51/928788351.db2.gz GXMMNXZTGALFKA-HXUWFJFHSA-N 1 1 382.416 3.802 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000752448258 928827068 /nfs/dbraw/zinc/82/70/68/928827068.db2.gz KCHPCADXURROGD-MRXNPFEDSA-N 1 1 375.469 3.616 20 5 GHBDMO C[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)[C@H]1CCCc2ccccc21 ZINC000752786619 929022079 /nfs/dbraw/zinc/02/20/79/929022079.db2.gz QGTHUEHCPMCNQM-SFHVURJKSA-N 1 1 380.448 3.804 20 5 GHBDMO C[N@@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)[C@H]1CCCc2ccccc21 ZINC000752786619 929022087 /nfs/dbraw/zinc/02/20/87/929022087.db2.gz QGTHUEHCPMCNQM-SFHVURJKSA-N 1 1 380.448 3.804 20 5 GHBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752793583 929024055 /nfs/dbraw/zinc/02/40/55/929024055.db2.gz OZABFDQGFDZWPH-SJLPKXTDSA-N 1 1 380.448 3.672 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[C@@H]1c1cccs1 ZINC000544393548 929127032 /nfs/dbraw/zinc/12/70/32/929127032.db2.gz XPFGOMHPMUNEIT-FZKQIMNGSA-N 1 1 383.477 3.516 20 5 GHBDMO C[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544399682 929132928 /nfs/dbraw/zinc/13/29/28/929132928.db2.gz PHJQQWDXRIOKSA-VQIMIIECSA-N 1 1 399.466 3.960 20 5 GHBDMO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc([N+](=O)[O-])cc1C ZINC000544608268 929338883 /nfs/dbraw/zinc/33/88/83/929338883.db2.gz NHPOWKRPNCMWPT-UHFFFAOYSA-N 1 1 378.375 3.747 20 5 GHBDMO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc([N+](=O)[O-])cc1C ZINC000544608268 929338894 /nfs/dbraw/zinc/33/88/94/929338894.db2.gz NHPOWKRPNCMWPT-UHFFFAOYSA-N 1 1 378.375 3.747 20 5 GHBDMO O=C(C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000469450055 929903907 /nfs/dbraw/zinc/90/39/07/929903907.db2.gz JXTKDLQEXRXCRL-UHFFFAOYSA-N 1 1 389.402 3.766 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)sc2c1 ZINC000758134956 929938413 /nfs/dbraw/zinc/93/84/13/929938413.db2.gz LXZUPWRZWGEOFW-KRWDZBQOSA-N 1 1 398.488 3.908 20 5 GHBDMO O=[N+]([O-])c1ccccc1Cc1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000546241555 929985792 /nfs/dbraw/zinc/98/57/92/929985792.db2.gz BOTDKPYINHZMMX-SFHVURJKSA-N 1 1 378.432 3.948 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000469971138 930285202 /nfs/dbraw/zinc/28/52/02/930285202.db2.gz CINXCCFIJZGZCP-HOCLYGCPSA-N 1 1 388.443 3.503 20 5 GHBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000470111343 930381944 /nfs/dbraw/zinc/38/19/44/930381944.db2.gz AEGPTMLQENXFLW-UHFFFAOYSA-N 1 1 378.448 3.854 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1F ZINC000470151919 930411855 /nfs/dbraw/zinc/41/18/55/930411855.db2.gz KSKMCGJAKVEWHJ-UHFFFAOYSA-N 1 1 387.346 3.689 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](N(C)Cc2noc(C)n2)CC1 ZINC000470216342 930459258 /nfs/dbraw/zinc/45/92/58/930459258.db2.gz RKTGFVUUVPUAPC-KVVHSQDJSA-N 1 1 399.495 3.676 20 5 GHBDMO CO[C@H](C)C[N@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000796641705 930491188 /nfs/dbraw/zinc/49/11/88/930491188.db2.gz YVSDPZFEPIRWPH-ACJLOTCBSA-N 1 1 391.855 3.895 20 5 GHBDMO CO[C@H](C)C[N@@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000796641705 930491196 /nfs/dbraw/zinc/49/11/96/930491196.db2.gz YVSDPZFEPIRWPH-ACJLOTCBSA-N 1 1 391.855 3.895 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cn1 ZINC000780366503 930500159 /nfs/dbraw/zinc/50/01/59/930500159.db2.gz FOJIVXAMAKBSDJ-UHFFFAOYSA-N 1 1 395.422 3.823 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000471071733 931133727 /nfs/dbraw/zinc/13/37/27/931133727.db2.gz ZVIODGUUBRCWMF-IFMALSPDSA-N 1 1 397.475 3.820 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000471071733 931133730 /nfs/dbraw/zinc/13/37/30/931133730.db2.gz ZVIODGUUBRCWMF-IFMALSPDSA-N 1 1 397.475 3.820 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000784521519 931924201 /nfs/dbraw/zinc/92/42/01/931924201.db2.gz FFZLFZVMOLFSGC-BHIYHBOVSA-N 1 1 389.496 3.763 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000797090006 932178257 /nfs/dbraw/zinc/17/82/57/932178257.db2.gz WQVSJDKHAAWDLF-OXKNWPCVSA-N 1 1 377.444 3.751 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@]1(c2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000927119915 932420682 /nfs/dbraw/zinc/42/06/82/932420682.db2.gz MQBUOPZRJKABJY-RBBKRZOGSA-N 1 1 392.459 3.713 20 5 GHBDMO C[C@]1(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798373237 932619205 /nfs/dbraw/zinc/61/92/05/932619205.db2.gz VBMYHCCWLGKVCA-HXUWFJFHSA-N 1 1 384.505 3.793 20 5 GHBDMO C[C@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000798528811 932692881 /nfs/dbraw/zinc/69/28/81/932692881.db2.gz GEJJIFIPKMBCJL-AOMKIAJQSA-N 1 1 399.466 3.866 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000799156080 932890511 /nfs/dbraw/zinc/89/05/11/932890511.db2.gz LIBMGLAYTFLPOV-QAJUQPOASA-N 1 1 384.480 3.677 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000560535809 933320438 /nfs/dbraw/zinc/32/04/38/933320438.db2.gz PGGWYSQLDBKADS-FQEVSTJZSA-N 1 1 375.432 3.731 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1Cc1ccccc1 ZINC001116220031 933411496 /nfs/dbraw/zinc/41/14/96/933411496.db2.gz WYJBOONIWCKKEQ-UZLBHIALSA-N 1 1 394.475 3.673 20 5 GHBDMO C[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000560759962 933537150 /nfs/dbraw/zinc/53/71/50/933537150.db2.gz KAGUCVCYWFJSRL-MBSDFSHPSA-N 1 1 393.487 3.823 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000929862973 933677118 /nfs/dbraw/zinc/67/71/18/933677118.db2.gz FIHVWQWMLHBPQM-PKOBYXMFSA-N 1 1 378.856 3.555 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000929862973 933677124 /nfs/dbraw/zinc/67/71/24/933677124.db2.gz FIHVWQWMLHBPQM-PKOBYXMFSA-N 1 1 378.856 3.555 20 5 GHBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561269683 934005398 /nfs/dbraw/zinc/00/53/98/934005398.db2.gz SKQRCNPIUAQUHO-LLVKDONJSA-N 1 1 375.479 3.544 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(Br)c1 ZINC001117867850 934057902 /nfs/dbraw/zinc/05/79/02/934057902.db2.gz IBIYPYAOAMFPHZ-DOTOQJQBSA-N 1 1 383.286 3.730 20 5 GHBDMO Cc1ccc(N2CCC[N@@H+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)CC2)cc1 ZINC000777954059 934367468 /nfs/dbraw/zinc/36/74/68/934367468.db2.gz PZWFZOICYXQNKO-UHFFFAOYSA-N 1 1 391.475 3.937 20 5 GHBDMO Cc1ccc(NCCCNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH+]c1 ZINC001226774218 1032123489 /nfs/dbraw/zinc/12/34/89/1032123489.db2.gz IOVUEGZEVNWVQS-SFHVURJKSA-N 1 1 397.479 3.689 20 5 GHBDMO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545475751 1015915991 /nfs/dbraw/zinc/91/59/91/1015915991.db2.gz JZFQTRQYHQUWLI-HXUWFJFHSA-N 1 1 381.476 3.569 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470153003 1016738240 /nfs/dbraw/zinc/73/82/40/1016738240.db2.gz QMDYDMBOTVIZNS-AUUYWEPGSA-N 1 1 386.427 3.766 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000470611166 1016835597 /nfs/dbraw/zinc/83/55/97/1016835597.db2.gz HGMYRBMSFFPMEQ-CQSZACIVSA-N 1 1 388.493 3.532 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001226991377 1032225155 /nfs/dbraw/zinc/22/51/55/1032225155.db2.gz MQYXPKCIVHXZOL-MRXNPFEDSA-N 1 1 376.840 3.836 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001226991377 1032225167 /nfs/dbraw/zinc/22/51/67/1032225167.db2.gz MQYXPKCIVHXZOL-MRXNPFEDSA-N 1 1 376.840 3.836 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001227044617 1032250075 /nfs/dbraw/zinc/25/00/75/1032250075.db2.gz OYWWBKWLALCVNF-KXBFYZLASA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)C1 ZINC001227366154 1032390416 /nfs/dbraw/zinc/39/04/16/1032390416.db2.gz KRYYJFDSIOIKCO-QWHCGFSZSA-N 1 1 399.838 3.801 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001155284889 1032485372 /nfs/dbraw/zinc/48/53/72/1032485372.db2.gz NNBFQXUHNTVVIY-OAQYLSRUSA-N 1 1 395.503 3.550 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001221794819 1032538215 /nfs/dbraw/zinc/53/82/15/1032538215.db2.gz YBNUYSXMQTXLAP-LJQANCHMSA-N 1 1 388.512 3.923 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)nc2c1 ZINC001227742637 1032539313 /nfs/dbraw/zinc/53/93/13/1032539313.db2.gz CGIUIJGMSSSWAP-OXFYSEKESA-N 1 1 378.432 3.761 20 5 GHBDMO COC(=O)c1cccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001227895668 1032675760 /nfs/dbraw/zinc/67/57/60/1032675760.db2.gz BRZILDZSPVDBLL-HNNXBMFYSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1cccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001227895668 1032675770 /nfs/dbraw/zinc/67/57/70/1032675770.db2.gz BRZILDZSPVDBLL-HNNXBMFYSA-N 1 1 390.823 3.688 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933080867 1018840093 /nfs/dbraw/zinc/84/00/93/1018840093.db2.gz FPACOVINIBMXCC-PBHICJAKSA-N 1 1 386.452 3.844 20 5 GHBDMO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574470203 1019877310 /nfs/dbraw/zinc/87/73/10/1019877310.db2.gz ZBIFCXWKUQZGSS-MRXNPFEDSA-N 1 1 385.439 3.572 20 5 GHBDMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574470203 1019877332 /nfs/dbraw/zinc/87/73/32/1019877332.db2.gz ZBIFCXWKUQZGSS-MRXNPFEDSA-N 1 1 385.439 3.572 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000157933246 1019881283 /nfs/dbraw/zinc/88/12/83/1019881283.db2.gz KLOQSWMWLHBVHF-CZUORRHYSA-N 1 1 388.493 3.778 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000796148077 1021111018 /nfs/dbraw/zinc/11/10/18/1021111018.db2.gz YYYFONMHWJTQBB-LLVKDONJSA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000796148077 1021111024 /nfs/dbraw/zinc/11/10/24/1021111024.db2.gz YYYFONMHWJTQBB-LLVKDONJSA-N 1 1 393.793 3.529 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)c2ncc([N+](=O)[O-])cc2F)cc1 ZINC001156294602 1032964508 /nfs/dbraw/zinc/96/45/08/1032964508.db2.gz RCSAYHGKBVCLSU-INIZCTEOSA-N 1 1 388.443 3.628 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000801539307 1021409854 /nfs/dbraw/zinc/40/98/54/1021409854.db2.gz FOAUYKUFUWIZGR-BFYDXBDKSA-N 1 1 393.459 3.859 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604521 1033002313 /nfs/dbraw/zinc/00/23/13/1033002313.db2.gz TVTLSTRYZNWGEJ-MRXNPFEDSA-N 1 1 398.463 3.647 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604521 1033002326 /nfs/dbraw/zinc/00/23/26/1033002326.db2.gz TVTLSTRYZNWGEJ-MRXNPFEDSA-N 1 1 398.463 3.647 20 5 GHBDMO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001228964393 1033203553 /nfs/dbraw/zinc/20/35/53/1033203553.db2.gz WCTDDAKJLVXWES-HNNXBMFYSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1c(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cccc1[N+](=O)[O-] ZINC001229049848 1033250095 /nfs/dbraw/zinc/25/00/95/1033250095.db2.gz NYVRNAKKDLKMIQ-ZIFCJYIRSA-N 1 1 396.443 3.671 20 5 GHBDMO COC(=O)c1c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001229049740 1033250253 /nfs/dbraw/zinc/25/02/53/1033250253.db2.gz JRXMYQJSAFVVDU-MAUKXSAKSA-N 1 1 384.432 3.671 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000831958855 1025061998 /nfs/dbraw/zinc/06/19/98/1025061998.db2.gz ADZLAYIMFVPYNW-UHFFFAOYSA-N 1 1 379.844 3.744 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC001162430706 1025745352 /nfs/dbraw/zinc/74/53/52/1025745352.db2.gz JAHJIKJFEGGXJA-KRWDZBQOSA-N 1 1 375.469 3.838 20 5 GHBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1Cc1ccccc1 ZINC001163260848 1026110997 /nfs/dbraw/zinc/11/09/97/1026110997.db2.gz UEJWYTKXWYPPPD-INIZCTEOSA-N 1 1 377.391 3.559 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2C2CCCC2)nc1OCc1ccccc1 ZINC001163862050 1026344144 /nfs/dbraw/zinc/34/41/44/1026344144.db2.gz YJQYRHVNUJMVKG-GOSISDBHSA-N 1 1 382.464 3.998 20 5 GHBDMO C[N@H+]1C[C@@]23CN(c4ccc([N+](=O)[O-])cc4Br)C[C@]2(C1)CCCC3 ZINC001164383547 1026503202 /nfs/dbraw/zinc/50/32/02/1026503202.db2.gz LJATZENJQHOJHX-CALCHBBNSA-N 1 1 380.286 3.670 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC001165182213 1026651288 /nfs/dbraw/zinc/65/12/88/1026651288.db2.gz UZQTXHLEXHQIGE-OXQOHEQNSA-N 1 1 391.475 3.885 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000840268939 1027395414 /nfs/dbraw/zinc/39/54/14/1027395414.db2.gz IWDXDUHITSIPFR-SNVBAGLBSA-N 1 1 389.221 3.528 20 5 GHBDMO Cc1ccc(NC(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001214559799 1028793302 /nfs/dbraw/zinc/79/33/02/1028793302.db2.gz GCFNVILQUNKTHI-GCJKJVERSA-N 1 1 394.475 3.889 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000842834523 1029622490 /nfs/dbraw/zinc/62/24/90/1029622490.db2.gz UNPSREWZDKBHAJ-INIZCTEOSA-N 1 1 378.472 3.959 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])c(-c2nc(-c3ccc(F)c(C)n3)no2)c1 ZINC001216552629 1029683409 /nfs/dbraw/zinc/68/34/09/1029683409.db2.gz FYMHEXFOVMJFIJ-UHFFFAOYSA-N 1 1 380.339 3.648 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222931589 1030356044 /nfs/dbraw/zinc/35/60/44/1030356044.db2.gz LHPLZMGEIKULOA-ZBFHGGJFSA-N 1 1 382.420 3.873 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223488961 1030600330 /nfs/dbraw/zinc/60/03/30/1030600330.db2.gz WTOBZANOAYUVPT-FOIQADDNSA-N 1 1 385.420 3.930 20 5 GHBDMO COC(=O)c1cc(CO[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001223688374 1030705712 /nfs/dbraw/zinc/70/57/12/1030705712.db2.gz KWJDVVBDNJBHKE-IIBYNOLFSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1cc(CO[C@@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)cc([N+](=O)[O-])c1 ZINC001223692219 1030707511 /nfs/dbraw/zinc/70/75/11/1030707511.db2.gz ZGWRNDYTBXIAGT-DNVCBOLYSA-N 1 1 399.447 3.519 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@@H]1C[NH2+]C[C@@H]1F ZINC001218000673 1030715227 /nfs/dbraw/zinc/71/52/27/1030715227.db2.gz BSKBHDWMADGZCL-HNAYVOBHSA-N 1 1 399.418 3.555 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4CC[C@@]45CC[NH2+]C5)ccc3c21 ZINC001218115718 1030779663 /nfs/dbraw/zinc/77/96/63/1030779663.db2.gz GSWFMKQZIMUNHI-GCJKJVERSA-N 1 1 377.396 3.919 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001224094824 1030880940 /nfs/dbraw/zinc/88/09/40/1030880940.db2.gz GGVMIRPZYSVYRI-MGPUTAFESA-N 1 1 385.420 3.930 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001224096999 1030882768 /nfs/dbraw/zinc/88/27/68/1030882768.db2.gz PKTNSYMADBZRLU-MGPUTAFESA-N 1 1 385.420 3.930 20 5 GHBDMO CCc1nc2c(c(O[C@H](c3ccccc3)c3ccccc3[N+](=O)[O-])n1)C[NH2+]C2 ZINC001218442102 1030938065 /nfs/dbraw/zinc/93/80/65/1030938065.db2.gz OUNVSKABPXNAAW-HXUWFJFHSA-N 1 1 376.416 3.719 20 5 GHBDMO CN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001218662810 1031024256 /nfs/dbraw/zinc/02/42/56/1031024256.db2.gz CNMWIHGOLIGGHQ-KRWDZBQOSA-N 1 1 386.427 3.862 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)C[C@H]([NH3+])[C@@H](C)CC ZINC001219005881 1031207767 /nfs/dbraw/zinc/20/77/67/1031207767.db2.gz XHTKWVQZJLYVFC-UGSOOPFHSA-N 1 1 380.492 3.659 20 5 GHBDMO Cc1cc[nH+]c(N2CCC(Oc3ncc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC001225846420 1031648538 /nfs/dbraw/zinc/64/85/38/1031648538.db2.gz JPOPCGBRJWNAPC-UHFFFAOYSA-N 1 1 382.342 3.760 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226441506 1031961714 /nfs/dbraw/zinc/96/17/14/1031961714.db2.gz RAANLVQNHRHNGX-GOEBONIOSA-N 1 1 379.420 3.537 20 5 GHBDMO COc1ccc(C)cc1C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001205225278 1033315771 /nfs/dbraw/zinc/31/57/71/1033315771.db2.gz VBQZGFKEFAJQQP-UHFFFAOYSA-N 1 1 389.883 3.883 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229400972 1033458278 /nfs/dbraw/zinc/45/82/78/1033458278.db2.gz BQWGFZZXACXYBG-GOEBONIOSA-N 1 1 379.420 3.537 20 5 GHBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001157818741 1033780099 /nfs/dbraw/zinc/78/00/99/1033780099.db2.gz UMSJVZOMAVEYGQ-VIFPVBQESA-N 1 1 378.231 3.597 20 5 GHBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001157818741 1033780115 /nfs/dbraw/zinc/78/01/15/1033780115.db2.gz UMSJVZOMAVEYGQ-VIFPVBQESA-N 1 1 378.231 3.597 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001230248122 1033961038 /nfs/dbraw/zinc/96/10/38/1033961038.db2.gz XNRAKIUQIDAZHQ-YCRPNKLZSA-N 1 1 383.448 3.843 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001230314718 1033992091 /nfs/dbraw/zinc/99/20/91/1033992091.db2.gz FYTQMEPGXJITEZ-TXPKVOOTSA-N 1 1 383.404 3.792 20 5 GHBDMO Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230493317 1034089651 /nfs/dbraw/zinc/08/96/51/1034089651.db2.gz ZYXIEKJCSDPFCS-HNNXBMFYSA-N 1 1 389.383 3.994 20 5 GHBDMO Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230493317 1034089661 /nfs/dbraw/zinc/08/96/61/1034089661.db2.gz ZYXIEKJCSDPFCS-HNNXBMFYSA-N 1 1 389.383 3.994 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2cc3n[nH]cc3cc2[N+](=O)[O-])O1 ZINC001230600540 1034140958 /nfs/dbraw/zinc/14/09/58/1034140958.db2.gz GTSWCXIMGOXIOS-QGZVFWFLSA-N 1 1 396.447 3.530 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2cc3n[nH]cc3cc2[N+](=O)[O-])O1 ZINC001230600540 1034140967 /nfs/dbraw/zinc/14/09/67/1034140967.db2.gz GTSWCXIMGOXIOS-QGZVFWFLSA-N 1 1 396.447 3.530 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001461916896 1069880675 /nfs/dbraw/zinc/88/06/75/1069880675.db2.gz QPVWWUDCEPCZNR-QUHSPFQSSA-N 1 1 379.460 3.893 20 5 GHBDMO C[NH+](C)/C=C/c1cc(NC2(C(=O)OCc3ccccc3)CCC2)ncc1[N+](=O)[O-] ZINC001159816384 1034751624 /nfs/dbraw/zinc/75/16/24/1034751624.db2.gz ATUOMUUWKYTASJ-FMIVXFBMSA-N 1 1 396.447 3.600 20 5 GHBDMO Cc1cc(N2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)nc(C)n1 ZINC001232221509 1035169236 /nfs/dbraw/zinc/16/92/36/1035169236.db2.gz HWYKXNOPVLNYEZ-UHFFFAOYSA-N 1 1 384.487 3.512 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001248209808 1035640780 /nfs/dbraw/zinc/64/07/80/1035640780.db2.gz XXJHVXLEBOYNHE-CQSZACIVSA-N 1 1 378.310 3.906 20 5 GHBDMO [NH3+]C1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)Cc2ccccc2C1 ZINC001248238328 1035680169 /nfs/dbraw/zinc/68/01/69/1035680169.db2.gz PIMAERNGXGALRD-UHFFFAOYSA-N 1 1 379.423 3.786 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001247665229 1038301538 /nfs/dbraw/zinc/30/15/38/1038301538.db2.gz BQOQBYDQAUQZRG-ZDUSSCGKSA-N 1 1 378.310 3.906 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCc1ccccc1)C(C)C ZINC001253304333 1039549194 /nfs/dbraw/zinc/54/91/94/1039549194.db2.gz UPSIIGMVVUHDLV-UHFFFAOYSA-N 1 1 385.464 3.885 20 5 GHBDMO CC(C)(C)[NH+]1CCC(Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)CC1 ZINC001234127803 1039870565 /nfs/dbraw/zinc/87/05/65/1039870565.db2.gz IQLRUJVYFOYKNX-UHFFFAOYSA-N 1 1 399.443 3.705 20 5 GHBDMO CN(C)CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001254465732 1040252522 /nfs/dbraw/zinc/25/25/22/1040252522.db2.gz IWAKLNXCIMRWGL-JOCHJYFZSA-N 1 1 382.508 3.846 20 5 GHBDMO C[C@]1(c2ccc(F)cc2)C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001254479509 1040267008 /nfs/dbraw/zinc/26/70/08/1040267008.db2.gz COJGJXODGAXAQH-JOCHJYFZSA-N 1 1 399.466 3.950 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001254549900 1040316929 /nfs/dbraw/zinc/31/69/29/1040316929.db2.gz ADXOTNPQMMPESQ-MGPUTAFESA-N 1 1 377.485 3.905 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(CC3CC3)c21 ZINC001254554508 1040323195 /nfs/dbraw/zinc/32/31/95/1040323195.db2.gz BCZWYSUPUOJECP-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(CC3CC3)c21 ZINC001254554508 1040323200 /nfs/dbraw/zinc/32/32/00/1040323200.db2.gz BCZWYSUPUOJECP-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001254554664 1040324282 /nfs/dbraw/zinc/32/42/82/1040324282.db2.gz DAEJSCAUXHJDJL-ZLGUVYLKSA-N 1 1 379.460 3.796 20 5 GHBDMO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H](C)Cc2ccccc2[N+](=O)[O-])O1 ZINC001254558667 1040329012 /nfs/dbraw/zinc/32/90/12/1040329012.db2.gz VANCEIMWANHJCG-RCVZYCBYSA-N 1 1 376.497 3.820 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2c1cnn2CC1CC1 ZINC001254560806 1040332509 /nfs/dbraw/zinc/33/25/09/1040332509.db2.gz HKTJSVMWNALXQC-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2c1cnn2CC1CC1 ZINC001254560806 1040332528 /nfs/dbraw/zinc/33/25/28/1040332528.db2.gz HKTJSVMWNALXQC-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2nn(CC3CC3)cc21 ZINC001254563020 1040335580 /nfs/dbraw/zinc/33/55/80/1040335580.db2.gz WJHZAFZNDKUOHN-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2nn(CC3CC3)cc21 ZINC001254563020 1040335599 /nfs/dbraw/zinc/33/55/99/1040335599.db2.gz WJHZAFZNDKUOHN-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254564078 1040338063 /nfs/dbraw/zinc/33/80/63/1040338063.db2.gz IGZOYGVOSNJBLK-XJKSGUPXSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254564078 1040338073 /nfs/dbraw/zinc/33/80/73/1040338073.db2.gz IGZOYGVOSNJBLK-XJKSGUPXSA-N 1 1 399.438 3.760 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592427 1040363730 /nfs/dbraw/zinc/36/37/30/1040363730.db2.gz DBXRZCFGYCWYGP-NQIIRXRSSA-N 1 1 387.480 3.537 20 5 GHBDMO C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001254598640 1040370814 /nfs/dbraw/zinc/37/08/14/1040370814.db2.gz LBZWAEDRLMKKMT-DKSSEZFCSA-N 1 1 389.496 3.545 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604368 1040374182 /nfs/dbraw/zinc/37/41/82/1040374182.db2.gz WIJLVJODGZYBOZ-PKTZIBPZSA-N 1 1 377.488 3.660 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604368 1040374200 /nfs/dbraw/zinc/37/42/00/1040374200.db2.gz WIJLVJODGZYBOZ-PKTZIBPZSA-N 1 1 377.488 3.660 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604366 1040374366 /nfs/dbraw/zinc/37/43/66/1040374366.db2.gz WIJLVJODGZYBOZ-DHIUTWEWSA-N 1 1 377.488 3.660 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604366 1040374382 /nfs/dbraw/zinc/37/43/82/1040374382.db2.gz WIJLVJODGZYBOZ-DHIUTWEWSA-N 1 1 377.488 3.660 20 5 GHBDMO CCOC(=O)C1([N@H+](Cc2ccccc2)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254608854 1040379652 /nfs/dbraw/zinc/37/96/52/1040379652.db2.gz CVLFYNFPRJQINP-HXUWFJFHSA-N 1 1 380.444 3.660 20 5 GHBDMO CCOC(=O)C1([N@@H+](Cc2ccccc2)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254608854 1040379665 /nfs/dbraw/zinc/37/96/65/1040379665.db2.gz CVLFYNFPRJQINP-HXUWFJFHSA-N 1 1 380.444 3.660 20 5 GHBDMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c([N+](=O)[O-])c1 ZINC001255385881 1040974462 /nfs/dbraw/zinc/97/44/62/1040974462.db2.gz HPUZFCFAWPSIJT-HNNXBMFYSA-N 1 1 380.404 3.643 20 5 GHBDMO C[NH+]1CCN(C(=O)c2ccc(-c3ccnc4c3ccc3cccnc34)cc2)CC1 ZINC001236556955 1041761653 /nfs/dbraw/zinc/76/16/53/1041761653.db2.gz FXWMUPMYAKRSPF-UHFFFAOYSA-N 1 1 382.467 3.838 20 5 GHBDMO C[NH+]1CCN(C(=O)c2ccc(-c3cnc4c(ccc5cccnc54)c3)cc2)CC1 ZINC001236560679 1041763334 /nfs/dbraw/zinc/76/33/34/1041763334.db2.gz AKPOWRDPXCNRIL-UHFFFAOYSA-N 1 1 382.467 3.838 20 5 GHBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001291634507 1043365513 /nfs/dbraw/zinc/36/55/13/1043365513.db2.gz DXGIFTIICOHJON-IBGZPJMESA-N 1 1 394.431 3.635 20 5 GHBDMO C[C@@]1(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001256506483 1043438183 /nfs/dbraw/zinc/43/81/83/1043438183.db2.gz ZUMOMHCQKYJAPG-QFIPXVFZSA-N 1 1 394.475 3.532 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001293364460 1044137972 /nfs/dbraw/zinc/13/79/72/1044137972.db2.gz NWZKOURDTRTYKZ-GOSISDBHSA-N 1 1 398.511 3.718 20 5 GHBDMO CC/C(=C\c1cccc([N+](=O)[O-])c1)c1nnc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258104051 1044397443 /nfs/dbraw/zinc/39/74/43/1044397443.db2.gz YQFTWSFZMBQKTQ-UAFQZRAQSA-N 1 1 386.452 3.580 20 5 GHBDMO CC/C(=C\c1cccc([N+](=O)[O-])c1)c1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258104051 1044397450 /nfs/dbraw/zinc/39/74/50/1044397450.db2.gz YQFTWSFZMBQKTQ-UAFQZRAQSA-N 1 1 386.452 3.580 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001294803981 1044800279 /nfs/dbraw/zinc/80/02/79/1044800279.db2.gz NQVOSIDFHMQWMO-LPHOPBHVSA-N 1 1 397.475 3.775 20 5 GHBDMO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001303074013 1047270990 /nfs/dbraw/zinc/27/09/90/1047270990.db2.gz XXDDMCQGFVVFNH-APWZRJJASA-N 1 1 398.511 3.572 20 5 GHBDMO CC(C)Oc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001307185808 1049124676 /nfs/dbraw/zinc/12/46/76/1049124676.db2.gz UAYNKKFOUQNDCY-WMZOPIPTSA-N 1 1 384.480 3.957 20 5 GHBDMO COCC[N@H+](Cc1ccc(C)cc1C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001307434411 1049270780 /nfs/dbraw/zinc/27/07/80/1049270780.db2.gz BWNVRLPWFJTXHP-UHFFFAOYSA-N 1 1 386.448 3.647 20 5 GHBDMO COCC[N@@H+](Cc1ccc(C)cc1C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001307434411 1049270792 /nfs/dbraw/zinc/27/07/92/1049270792.db2.gz BWNVRLPWFJTXHP-UHFFFAOYSA-N 1 1 386.448 3.647 20 5 GHBDMO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC001307497297 1049336477 /nfs/dbraw/zinc/33/64/77/1049336477.db2.gz RPCYCJGAPMHNTR-AUUYWEPGSA-N 1 1 383.448 3.859 20 5 GHBDMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC001307497297 1049336486 /nfs/dbraw/zinc/33/64/86/1049336486.db2.gz RPCYCJGAPMHNTR-AUUYWEPGSA-N 1 1 383.448 3.859 20 5 GHBDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307856747 1049638365 /nfs/dbraw/zinc/63/83/65/1049638365.db2.gz KGSHFTXOXSOMNX-JKSUJKDBSA-N 1 1 378.469 3.806 20 5 GHBDMO O=C(CC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001308034414 1049785755 /nfs/dbraw/zinc/78/57/55/1049785755.db2.gz PJIREXFIASWUEL-KRWDZBQOSA-N 1 1 398.438 3.547 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001290890597 1049944788 /nfs/dbraw/zinc/94/47/88/1049944788.db2.gz GPDPQXPUQPDJEZ-OAHLLOKOSA-N 1 1 385.439 3.896 20 5 GHBDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328886217 1050667590 /nfs/dbraw/zinc/66/75/90/1050667590.db2.gz USVUSAJCLFAMPI-DENIHFKCSA-N 1 1 393.487 3.985 20 5 GHBDMO Cc1c(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001336365198 1052262895 /nfs/dbraw/zinc/26/28/95/1052262895.db2.gz OPVWCRFAJSJQKJ-LBPRGKRZSA-N 1 1 386.374 3.624 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001312024257 1052535664 /nfs/dbraw/zinc/53/56/64/1052535664.db2.gz KDOJXIKGZBAFKZ-YLJYHZDGSA-N 1 1 396.491 3.928 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC001317820448 1054267796 /nfs/dbraw/zinc/26/77/96/1054267796.db2.gz GVSBPXFVVXBCPK-UHFFFAOYSA-N 1 1 382.464 3.951 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC001319314796 1055177353 /nfs/dbraw/zinc/17/73/53/1055177353.db2.gz IYDDCZBIZJJMQP-AWEZNQCLSA-N 1 1 382.420 3.716 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001319608031 1055357055 /nfs/dbraw/zinc/35/70/55/1055357055.db2.gz PNXSKRNXXBOUBM-OAHLLOKOSA-N 1 1 393.447 3.598 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001319608031 1055357063 /nfs/dbraw/zinc/35/70/63/1055357063.db2.gz PNXSKRNXXBOUBM-OAHLLOKOSA-N 1 1 393.447 3.598 20 5 GHBDMO CN(C)c1nccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)n1 ZINC001320031320 1055610100 /nfs/dbraw/zinc/61/01/00/1055610100.db2.gz JKIZWUCDFDUISP-UHFFFAOYSA-N 1 1 387.827 3.654 20 5 GHBDMO Cc1csc([C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)n1 ZINC001320383093 1055780606 /nfs/dbraw/zinc/78/06/06/1055780606.db2.gz VDAHNOLLUQXAMA-OAHLLOKOSA-N 1 1 380.857 3.693 20 5 GHBDMO Cc1nnc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1C ZINC001322610149 1056767716 /nfs/dbraw/zinc/76/77/16/1056767716.db2.gz ANQPRUGNYDFINT-UHFFFAOYSA-N 1 1 387.827 3.767 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001322971534 1056900079 /nfs/dbraw/zinc/90/00/79/1056900079.db2.gz JHOMCHCNNWRCMP-INIZCTEOSA-N 1 1 396.491 3.798 20 5 GHBDMO Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc(C)[nH+]1 ZINC001324297409 1057107237 /nfs/dbraw/zinc/10/72/37/1057107237.db2.gz IVBDKMLCQULXAP-UHFFFAOYSA-N 1 1 379.366 3.646 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001325469391 1057332209 /nfs/dbraw/zinc/33/22/09/1057332209.db2.gz JPBYMHAEKUSLNI-LJQANCHMSA-N 1 1 394.431 3.835 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001325469391 1057332214 /nfs/dbraw/zinc/33/22/14/1057332214.db2.gz JPBYMHAEKUSLNI-LJQANCHMSA-N 1 1 394.431 3.835 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001325856171 1057374545 /nfs/dbraw/zinc/37/45/45/1057374545.db2.gz XWLLVFUEISFVKU-XGBAPZKQSA-N 1 1 395.503 3.804 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001325856171 1057374556 /nfs/dbraw/zinc/37/45/56/1057374556.db2.gz XWLLVFUEISFVKU-XGBAPZKQSA-N 1 1 395.503 3.804 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001325856171 1057374559 /nfs/dbraw/zinc/37/45/59/1057374559.db2.gz XWLLVFUEISFVKU-XGBAPZKQSA-N 1 1 395.503 3.804 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC001440432809 1058516595 /nfs/dbraw/zinc/51/65/95/1058516595.db2.gz IRRXGPWTVZMXGJ-FQEVSTJZSA-N 1 1 395.503 3.816 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC001452610248 1060971802 /nfs/dbraw/zinc/97/18/02/1060971802.db2.gz PEUZYBOECXSZJL-QGZVFWFLSA-N 1 1 379.526 3.898 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC001452610248 1060971804 /nfs/dbraw/zinc/97/18/04/1060971804.db2.gz PEUZYBOECXSZJL-QGZVFWFLSA-N 1 1 379.526 3.898 20 5 GHBDMO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001454439239 1061778759 /nfs/dbraw/zinc/77/87/59/1061778759.db2.gz KNBJEIXDFKBVKQ-CYBMUJFWSA-N 1 1 383.851 3.658 20 5 GHBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001455409741 1062133102 /nfs/dbraw/zinc/13/31/02/1062133102.db2.gz ALRATWJDYMHKAL-OALUTQOASA-N 1 1 380.448 3.647 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC001435567727 1062742268 /nfs/dbraw/zinc/74/22/68/1062742268.db2.gz WZCUTXRPORWDIQ-SJORKVTESA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC001435567727 1062742282 /nfs/dbraw/zinc/74/22/82/1062742282.db2.gz WZCUTXRPORWDIQ-SJORKVTESA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001456942855 1062925693 /nfs/dbraw/zinc/92/56/93/1062925693.db2.gz RPERTQLXKDRJHO-LJQANCHMSA-N 1 1 381.476 3.806 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1F ZINC001435994622 1063072553 /nfs/dbraw/zinc/07/25/53/1063072553.db2.gz KAFSBENKRYZTTJ-IBGZPJMESA-N 1 1 387.455 3.929 20 5 GHBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC001457417553 1063160885 /nfs/dbraw/zinc/16/08/85/1063160885.db2.gz VMCPWENBUYULQS-OAHLLOKOSA-N 1 1 385.489 3.912 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001436142503 1063233134 /nfs/dbraw/zinc/23/31/34/1063233134.db2.gz UOEGKJCVJRWQDF-RXVVDRJESA-N 1 1 397.450 3.809 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001457991462 1063492340 /nfs/dbraw/zinc/49/23/40/1063492340.db2.gz GSBPPVCUXZUTBE-GJZGRUSLSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001457991462 1063492348 /nfs/dbraw/zinc/49/23/48/1063492348.db2.gz GSBPPVCUXZUTBE-GJZGRUSLSA-N 1 1 387.867 3.983 20 5 GHBDMO Cc1cc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC001458060037 1063536703 /nfs/dbraw/zinc/53/67/03/1063536703.db2.gz DYXVRJHLFLUKGM-UHFFFAOYSA-N 1 1 393.846 3.897 20 5 GHBDMO Cc1c(Br)c(N(C)CC[N@@H+](C)C2CCCCC2)ncc1[N+](=O)[O-] ZINC001458131548 1063588702 /nfs/dbraw/zinc/58/87/02/1063588702.db2.gz IWMRTSURQGFMFV-UHFFFAOYSA-N 1 1 385.306 3.761 20 5 GHBDMO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC001436939606 1063714990 /nfs/dbraw/zinc/71/49/90/1063714990.db2.gz ZJWZSXAYRPMVFV-XPIZARPCSA-N 1 1 397.450 3.570 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001458340223 1063754539 /nfs/dbraw/zinc/75/45/39/1063754539.db2.gz JEWUKDZIUQIWSB-AWEZNQCLSA-N 1 1 399.417 3.916 20 5 GHBDMO COC(=O)/C=C\c1ccc(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001458451280 1063815338 /nfs/dbraw/zinc/81/53/38/1063815338.db2.gz BDPWHAUPAYVEEQ-HTQTUQKFSA-N 1 1 395.459 3.538 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC001458468577 1063828932 /nfs/dbraw/zinc/82/89/32/1063828932.db2.gz JZZOZGCVUSBVHO-RRFJBIMHSA-N 1 1 385.493 3.792 20 5 GHBDMO CC[N@@H+](CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001437410287 1063848234 /nfs/dbraw/zinc/84/82/34/1063848234.db2.gz KZFZLPDHKBXNKX-UHFFFAOYSA-N 1 1 399.495 3.555 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC001459582174 1064134809 /nfs/dbraw/zinc/13/48/09/1064134809.db2.gz MLCUWDFFYCQKSS-RTBURBONSA-N 1 1 389.496 3.983 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(CC)CC ZINC001459738172 1064193812 /nfs/dbraw/zinc/19/38/12/1064193812.db2.gz AFEBNEJCWFUTPW-QZTJIDSGSA-N 1 1 377.485 3.757 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC001464403685 1064991221 /nfs/dbraw/zinc/99/12/21/1064991221.db2.gz QKLFNTZZQAWLNY-UHFFFAOYSA-N 1 1 396.491 3.993 20 5 GHBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001465625674 1065753827 /nfs/dbraw/zinc/75/38/27/1065753827.db2.gz QYEMMZCYMFCHIJ-MRXNPFEDSA-N 1 1 384.436 3.945 20 5 GHBDMO C[C@H](Nc1ccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000847826904 1066218217 /nfs/dbraw/zinc/21/82/17/1066218217.db2.gz ZZRPQUQFKPCERP-HOTGVXAUSA-N 1 1 398.463 3.662 20 5 GHBDMO CC[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001469429373 1068159199 /nfs/dbraw/zinc/15/91/99/1068159199.db2.gz UUQVJLHKBWVWPN-RIFZZMRRSA-N 1 1 388.512 3.998 20 5 GHBDMO CCNc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001361047415 1068751254 /nfs/dbraw/zinc/75/12/54/1068751254.db2.gz AXVAYBSUCOSJRC-QFBILLFUSA-N 1 1 396.491 3.667 20 5 GHBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC001460242747 1068881945 /nfs/dbraw/zinc/88/19/45/1068881945.db2.gz SLFPWFLVAROALB-KRWDZBQOSA-N 1 1 379.254 3.831 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC001460720902 1069121538 /nfs/dbraw/zinc/12/15/38/1069121538.db2.gz NHGMBOWEBZQQRO-SNVBAGLBSA-N 1 1 379.210 3.937 20 5 GHBDMO Cc1c(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001478429240 1078865404 /nfs/dbraw/zinc/86/54/04/1078865404.db2.gz GVLHLPNYMCXLIO-KRWDZBQOSA-N 1 1 396.491 3.567 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001460879708 1069247873 /nfs/dbraw/zinc/24/78/73/1069247873.db2.gz IWQBUURJSCBKDB-ZDUSSCGKSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC001460883625 1069252516 /nfs/dbraw/zinc/25/25/16/1069252516.db2.gz NPHBFDVLKVJAII-CHWSQXEVSA-N 1 1 397.422 3.562 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC001460883625 1069252533 /nfs/dbraw/zinc/25/25/33/1069252533.db2.gz NPHBFDVLKVJAII-CHWSQXEVSA-N 1 1 397.422 3.562 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001470781944 1072737585 /nfs/dbraw/zinc/73/75/85/1072737585.db2.gz YHJYZTODPCRMJP-HNAYVOBHSA-N 1 1 381.476 3.852 20 5 GHBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001478747084 1078974522 /nfs/dbraw/zinc/97/45/22/1078974522.db2.gz WQQYBMMFSLUORO-AEFFLSMTSA-N 1 1 376.501 3.604 20 5 GHBDMO C[C@@H](NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001471322717 1073018036 /nfs/dbraw/zinc/01/80/36/1073018036.db2.gz WAYKZHPIZMVPTK-UTKZUKDTSA-N 1 1 396.491 3.962 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC001471687320 1073179584 /nfs/dbraw/zinc/17/95/84/1073179584.db2.gz RHBVSNRUQGKTKC-IRXDYDNUSA-N 1 1 377.510 3.796 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccncc1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001472821359 1073680726 /nfs/dbraw/zinc/68/07/26/1073680726.db2.gz GRVQBYSARAYEED-UHFFFAOYSA-N 1 1 382.386 3.967 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001472856865 1073697003 /nfs/dbraw/zinc/69/70/03/1073697003.db2.gz OCXSQQLIDZREOT-QGZVFWFLSA-N 1 1 375.856 3.870 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCO[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001472856865 1073697008 /nfs/dbraw/zinc/69/70/08/1073697008.db2.gz OCXSQQLIDZREOT-QGZVFWFLSA-N 1 1 375.856 3.870 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCCCC2 ZINC001473199180 1073852899 /nfs/dbraw/zinc/85/28/99/1073852899.db2.gz DZEVGEYFRXFRCW-MOPGFXCFSA-N 1 1 389.496 3.901 20 5 GHBDMO Cc1ccc(N(C)[C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC001473303282 1073912801 /nfs/dbraw/zinc/91/28/01/1073912801.db2.gz LCUSMDZFDYMVNO-GOSISDBHSA-N 1 1 379.464 3.880 20 5 GHBDMO Cc1ccc(N(C)[C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC001473303282 1073912806 /nfs/dbraw/zinc/91/28/06/1073912806.db2.gz LCUSMDZFDYMVNO-GOSISDBHSA-N 1 1 379.464 3.880 20 5 GHBDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC001473400327 1073949997 /nfs/dbraw/zinc/94/99/97/1073949997.db2.gz PKROOAWTZVLSIE-CQSZACIVSA-N 1 1 381.274 3.544 20 5 GHBDMO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC1(O)CCCCCC1 ZINC001473401568 1073950819 /nfs/dbraw/zinc/95/08/19/1073950819.db2.gz BZALJGMDHBHLIH-UHFFFAOYSA-N 1 1 394.859 3.815 20 5 GHBDMO C[C@@](O)(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)C(F)(F)F ZINC001473486667 1073985647 /nfs/dbraw/zinc/98/56/47/1073985647.db2.gz MKUHUPBQPSOAKS-TZMCWYRMSA-N 1 1 382.329 3.723 20 5 GHBDMO Cc1c(C[NH+]2CCN(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC001473621327 1074052972 /nfs/dbraw/zinc/05/29/72/1074052972.db2.gz ZFBVLEUOZVARPM-UHFFFAOYSA-N 1 1 390.281 3.988 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001473720690 1074106014 /nfs/dbraw/zinc/10/60/14/1074106014.db2.gz AJFUBPJFRRZBLZ-GJZGRUSLSA-N 1 1 393.447 3.678 20 5 GHBDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001473847948 1074173753 /nfs/dbraw/zinc/17/37/53/1074173753.db2.gz MUPQXDPGNWJKQX-FQEVSTJZSA-N 1 1 388.468 3.805 20 5 GHBDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001473847948 1074173755 /nfs/dbraw/zinc/17/37/55/1074173755.db2.gz MUPQXDPGNWJKQX-FQEVSTJZSA-N 1 1 388.468 3.805 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001473898177 1074195891 /nfs/dbraw/zinc/19/58/91/1074195891.db2.gz USKAIURORHDTIV-CVEARBPZSA-N 1 1 399.495 3.753 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001473898177 1074195893 /nfs/dbraw/zinc/19/58/93/1074195893.db2.gz USKAIURORHDTIV-CVEARBPZSA-N 1 1 399.495 3.753 20 5 GHBDMO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC001474337113 1074349677 /nfs/dbraw/zinc/34/96/77/1074349677.db2.gz ITKLPBINTPIZFQ-MRXNPFEDSA-N 1 1 393.365 3.677 20 5 GHBDMO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC001474337113 1074349682 /nfs/dbraw/zinc/34/96/82/1074349682.db2.gz ITKLPBINTPIZFQ-MRXNPFEDSA-N 1 1 393.365 3.677 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCCC3(CCCC3)CC2)cc1[N+](=O)[O-] ZINC001474625419 1074489420 /nfs/dbraw/zinc/48/94/20/1074489420.db2.gz ALIJDQBIEGBAIE-UHFFFAOYSA-N 1 1 376.453 3.693 20 5 GHBDMO O=[N+]([O-])c1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2[nH]ccc21 ZINC001164621686 719089174 /nfs/dbraw/zinc/08/91/74/719089174.db2.gz ANAAZMIARYLQFY-LPHOPBHVSA-N 1 1 377.448 3.572 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952587 722016027 /nfs/dbraw/zinc/01/60/27/722016027.db2.gz OABGMSMXDMCRSV-UHFFFAOYSA-N 1 1 387.871 3.531 20 5 GHBDMO Cc1c(C)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164996346 722201711 /nfs/dbraw/zinc/20/17/11/722201711.db2.gz UETKYEULQNRQJE-NRFANRHFSA-N 1 1 384.455 3.991 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000580831256 837413066 /nfs/dbraw/zinc/41/30/66/837413066.db2.gz LCRZORRGMGWZKQ-UHFFFAOYSA-N 1 1 395.868 3.705 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000580831256 837413074 /nfs/dbraw/zinc/41/30/74/837413074.db2.gz LCRZORRGMGWZKQ-UHFFFAOYSA-N 1 1 395.868 3.705 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000431801679 837695693 /nfs/dbraw/zinc/69/56/93/837695693.db2.gz SPIUNNSOVVCOGG-QFBILLFUSA-N 1 1 396.491 3.965 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175267872 834414824 /nfs/dbraw/zinc/41/48/24/834414824.db2.gz QFDMPUUOWMJKGU-HXUWFJFHSA-N 1 1 396.491 3.648 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000175278785 834497080 /nfs/dbraw/zinc/49/70/80/834497080.db2.gz RPGKMMXYJZGAJX-HXUWFJFHSA-N 1 1 381.476 3.508 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136738904 834567806 /nfs/dbraw/zinc/56/78/06/834567806.db2.gz XTCVDQRSQXXIRG-CYBMUJFWSA-N 1 1 393.896 3.952 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472323390 834657805 /nfs/dbraw/zinc/65/78/05/834657805.db2.gz SZUCCQRAQXYOJU-FUHWJXTLSA-N 1 1 397.475 3.885 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583573033 834663800 /nfs/dbraw/zinc/66/38/00/834663800.db2.gz INWOXZKWTXUQMD-SFHVURJKSA-N 1 1 375.856 3.552 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175282681 834695254 /nfs/dbraw/zinc/69/52/54/834695254.db2.gz LEHLGYQMJQEYTN-QGZVFWFLSA-N 1 1 385.439 3.718 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000510069995 834834495 /nfs/dbraw/zinc/83/44/95/834834495.db2.gz HQGAZPZLXDVHGH-GHTZIAJQSA-N 1 1 395.503 3.944 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000412214778 837816281 /nfs/dbraw/zinc/81/62/81/837816281.db2.gz GTEPXHZNOVSPIG-ZGXWSNOMSA-N 1 1 399.878 3.913 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000412214778 837816290 /nfs/dbraw/zinc/81/62/90/837816290.db2.gz GTEPXHZNOVSPIG-ZGXWSNOMSA-N 1 1 399.878 3.913 20 5 GHBDMO COc1cc(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000510112460 835324745 /nfs/dbraw/zinc/32/47/45/835324745.db2.gz JZXRUDMKKCDYOY-WMZOPIPTSA-N 1 1 397.475 3.634 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000608856037 835409620 /nfs/dbraw/zinc/40/96/20/835409620.db2.gz RTJLGEFKRCUQHP-UHFFFAOYSA-N 1 1 392.253 3.933 20 5 GHBDMO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000179555963 835876481 /nfs/dbraw/zinc/87/64/81/835876481.db2.gz OWCOEXHCFJFZLP-PNHOKKKMSA-N 1 1 389.883 3.971 20 5 GHBDMO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000548910050 836027836 /nfs/dbraw/zinc/02/78/36/836027836.db2.gz AGHJYCBANVQHJR-HXUWFJFHSA-N 1 1 396.491 3.667 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411155525 836071290 /nfs/dbraw/zinc/07/12/90/836071290.db2.gz NSBAWLVMZWZVEM-GOSISDBHSA-N 1 1 397.431 3.532 20 5 GHBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000411294203 836120495 /nfs/dbraw/zinc/12/04/95/836120495.db2.gz HUGIDHGGWWDHBG-UKRRQHHQSA-N 1 1 381.498 3.538 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000173576211 836229114 /nfs/dbraw/zinc/22/91/14/836229114.db2.gz VNDKNDGZQMUODE-GOSISDBHSA-N 1 1 375.469 3.655 20 5 GHBDMO CCOc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)cc1 ZINC000471242238 836258178 /nfs/dbraw/zinc/25/81/78/836258178.db2.gz FMUTVWSQWNPETG-UHFFFAOYSA-N 1 1 385.464 3.714 20 5 GHBDMO C[C@H](c1ccc2ccccc2c1)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173667642 836260155 /nfs/dbraw/zinc/26/01/55/836260155.db2.gz NELMRTYTJBJWKC-QVKFZJNVSA-N 1 1 380.448 3.531 20 5 GHBDMO Cc1ccc(NCCCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH+]c1 ZINC000173782141 836284885 /nfs/dbraw/zinc/28/48/85/836284885.db2.gz DTNRBVLPDBIKCS-UHFFFAOYSA-N 1 1 382.342 3.549 20 5 GHBDMO C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612485997 836297950 /nfs/dbraw/zinc/29/79/50/836297950.db2.gz WRIHFLSDUBORPD-QAPCUYQASA-N 1 1 385.439 3.570 20 5 GHBDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000892586109 836781922 /nfs/dbraw/zinc/78/19/22/836781922.db2.gz ZWDXJNUKJJJFFA-ZIAGYGMSSA-N 1 1 390.871 3.547 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001939 836908171 /nfs/dbraw/zinc/90/81/71/836908171.db2.gz RPKXNKYXUAFATF-JXFKEZNVSA-N 1 1 395.459 3.776 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001939 836908180 /nfs/dbraw/zinc/90/81/80/836908180.db2.gz RPKXNKYXUAFATF-JXFKEZNVSA-N 1 1 395.459 3.776 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000613017707 837096299 /nfs/dbraw/zinc/09/62/99/837096299.db2.gz SQMWLZGCMUJLFU-UHFFFAOYSA-N 1 1 396.422 3.822 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000414337086 837199355 /nfs/dbraw/zinc/19/93/55/837199355.db2.gz QAHNTCWQDORLRS-FGTMMUONSA-N 1 1 386.496 3.990 20 5 GHBDMO C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000579908054 837235704 /nfs/dbraw/zinc/23/57/04/837235704.db2.gz DMUGUNGJUTZCKG-FZKQIMNGSA-N 1 1 375.856 3.771 20 5 GHBDMO CCN(C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000180432011 837253186 /nfs/dbraw/zinc/25/31/86/837253186.db2.gz MYSIMFYECIDOOT-CYBMUJFWSA-N 1 1 384.461 3.908 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109764155 837842337 /nfs/dbraw/zinc/84/23/37/837842337.db2.gz KJRFJVDWLQSNTE-AWEZNQCLSA-N 1 1 393.447 3.678 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000412228143 837857407 /nfs/dbraw/zinc/85/74/07/837857407.db2.gz FERYAFVSWOSHGQ-LEWJYISDSA-N 1 1 379.460 3.974 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377761533 837937501 /nfs/dbraw/zinc/93/75/01/837937501.db2.gz BRTGCCVKGXZSPF-XYPHTWIQSA-N 1 1 384.436 3.739 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377761533 837937504 /nfs/dbraw/zinc/93/75/04/837937504.db2.gz BRTGCCVKGXZSPF-XYPHTWIQSA-N 1 1 384.436 3.739 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000101531555 837960241 /nfs/dbraw/zinc/96/02/41/837960241.db2.gz LRKLEJKCBXFFOB-UHFFFAOYSA-N 1 1 385.439 3.515 20 5 GHBDMO COC(=O)c1ccc(-c2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)co2)cc1 ZINC000584542020 838139962 /nfs/dbraw/zinc/13/99/62/838139962.db2.gz MOUUQDUROPJJKD-UHFFFAOYSA-N 1 1 395.415 3.711 20 5 GHBDMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)co2)cc1 ZINC000584542020 838139967 /nfs/dbraw/zinc/13/99/67/838139967.db2.gz MOUUQDUROPJJKD-UHFFFAOYSA-N 1 1 395.415 3.711 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[N@H+]1C1CC1 ZINC000275658465 838244977 /nfs/dbraw/zinc/24/49/77/838244977.db2.gz MLUPLCIJIRJYAD-FZMZJTMJSA-N 1 1 397.425 3.727 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535694860 844317303 /nfs/dbraw/zinc/31/73/03/844317303.db2.gz POHWNIWRQDVTTK-YJBOKZPZSA-N 1 1 392.459 3.717 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000189735105 838392185 /nfs/dbraw/zinc/39/21/85/838392185.db2.gz WVUCATDOSHZZPP-NRFANRHFSA-N 1 1 386.448 3.625 20 5 GHBDMO CSc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000188025854 838489771 /nfs/dbraw/zinc/48/97/71/838489771.db2.gz JXMFYADVVAHZEX-UHFFFAOYSA-N 1 1 385.489 3.665 20 5 GHBDMO CSc1cccc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000188060587 838500380 /nfs/dbraw/zinc/50/03/80/838500380.db2.gz QYBXYTXVGBIZOX-GASCZTMLSA-N 1 1 379.526 3.805 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000535727694 844351759 /nfs/dbraw/zinc/35/17/59/844351759.db2.gz WGUJSNPNCVLXIG-HNNXBMFYSA-N 1 1 379.526 3.803 20 5 GHBDMO O=C([C@@H]1CC12CC[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2)N1CCCCC1 ZINC000378398399 839038624 /nfs/dbraw/zinc/03/86/24/839038624.db2.gz FNRODAUGIJBZRA-INIZCTEOSA-N 1 1 391.899 3.863 20 5 GHBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC2 ZINC000500964423 844395234 /nfs/dbraw/zinc/39/52/34/844395234.db2.gz UHHNOTOSUQTYCY-INIZCTEOSA-N 1 1 388.493 3.952 20 5 GHBDMO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)cc1OC ZINC000377190854 839066979 /nfs/dbraw/zinc/06/69/79/839066979.db2.gz ZAGBSGIRSFUKDN-UHFFFAOYSA-N 1 1 397.431 3.732 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)C1 ZINC000275822391 839245775 /nfs/dbraw/zinc/24/57/75/839245775.db2.gz SMYDUQCGXWFYPG-VFNWGFHPSA-N 1 1 377.488 3.896 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000412122700 839729368 /nfs/dbraw/zinc/72/93/68/839729368.db2.gz GUUNXSFDVLMMLO-BOLBYERCSA-N 1 1 399.516 3.959 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000580931672 840457161 /nfs/dbraw/zinc/45/71/61/840457161.db2.gz YXVOQAKEJHLTHL-INIZCTEOSA-N 1 1 391.515 3.922 20 5 GHBDMO COc1c(C)cc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000110289954 840683603 /nfs/dbraw/zinc/68/36/03/840683603.db2.gz RDARRXIXIJKMNM-UHFFFAOYSA-N 1 1 385.464 3.989 20 5 GHBDMO CCOc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000511786890 840753775 /nfs/dbraw/zinc/75/37/75/840753775.db2.gz OFTDISGCKXYIKS-AABGKKOBSA-N 1 1 382.460 3.998 20 5 GHBDMO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1noc(-c2ccccc2)n1 ZINC000124517333 840988431 /nfs/dbraw/zinc/98/84/31/840988431.db2.gz DFPFEFWFGDQCST-OAHLLOKOSA-N 1 1 393.447 3.964 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120622300 844622943 /nfs/dbraw/zinc/62/29/43/844622943.db2.gz XWGLBHREZUHGEW-QGZVFWFLSA-N 1 1 388.512 3.923 20 5 GHBDMO O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000549921143 844630148 /nfs/dbraw/zinc/63/01/48/844630148.db2.gz NDTFHSQLPUYICR-UHFFFAOYSA-N 1 1 381.476 3.789 20 5 GHBDMO CN(CC[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000107681322 841428099 /nfs/dbraw/zinc/42/80/99/841428099.db2.gz PQSGVZNRBDGDDV-UHFFFAOYSA-N 1 1 380.448 3.861 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2)C1 ZINC000108134757 841538378 /nfs/dbraw/zinc/53/83/78/841538378.db2.gz NAFCCDNSCXKSPY-AWEZNQCLSA-N 1 1 393.447 3.955 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000302169868 861228016 /nfs/dbraw/zinc/22/80/16/861228016.db2.gz LTXNEGQHTIMUIV-KDOFPFPSSA-N 1 1 389.477 3.938 20 5 GHBDMO CNC(=O)c1ccc(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000053562361 841780737 /nfs/dbraw/zinc/78/07/37/841780737.db2.gz NFPDVJSYFLMOBT-MRXNPFEDSA-N 1 1 396.491 3.941 20 5 GHBDMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109147304 841799025 /nfs/dbraw/zinc/79/90/25/841799025.db2.gz QQBBONUFJXDKJP-HXUWFJFHSA-N 1 1 380.448 3.721 20 5 GHBDMO CN(C(=O)C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000051132710 841848913 /nfs/dbraw/zinc/84/89/13/841848913.db2.gz BSXVBURHUUUHHO-XMSQKQJNSA-N 1 1 397.475 3.657 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000896624961 861261802 /nfs/dbraw/zinc/26/18/02/861261802.db2.gz ZFSFBAPABSFWFI-IUCAKERBSA-N 1 1 378.231 3.595 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)C1 ZINC000603862655 861289825 /nfs/dbraw/zinc/28/98/25/861289825.db2.gz PSVFURRFIPPRGY-IYBDPMFKSA-N 1 1 396.491 3.784 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000134656659 842420325 /nfs/dbraw/zinc/42/03/25/842420325.db2.gz SGUHXXYMHONEKN-HZPDHXFCSA-N 1 1 393.484 3.741 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000481417524 861337533 /nfs/dbraw/zinc/33/75/33/861337533.db2.gz RWDZTJPCAUNUCT-RBUKOAKNSA-N 1 1 380.448 3.695 20 5 GHBDMO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1 ZINC000510540625 842930424 /nfs/dbraw/zinc/93/04/24/842930424.db2.gz WLLXMOHPJWWUHU-HXUWFJFHSA-N 1 1 391.427 3.918 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276766212 843034164 /nfs/dbraw/zinc/03/41/64/843034164.db2.gz ASJOGYAILRPKPQ-SFHVURJKSA-N 1 1 386.452 3.642 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276766212 843034170 /nfs/dbraw/zinc/03/41/70/843034170.db2.gz ASJOGYAILRPKPQ-SFHVURJKSA-N 1 1 386.452 3.642 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)c2ccc(OC)c(F)c2)c1 ZINC000599598134 861384092 /nfs/dbraw/zinc/38/40/92/861384092.db2.gz QPKJYNOXHGIRRC-UHFFFAOYSA-N 1 1 376.384 3.554 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000509758996 843944757 /nfs/dbraw/zinc/94/47/57/843944757.db2.gz AWYKALRNCXIAKX-XLIONFOSSA-N 1 1 396.491 3.695 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512475905 843952208 /nfs/dbraw/zinc/95/22/08/843952208.db2.gz WIPMMGUKEGSQKU-TZIWHRDSSA-N 1 1 394.519 3.548 20 5 GHBDMO CN(C[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000728918884 843963348 /nfs/dbraw/zinc/96/33/48/843963348.db2.gz SEMWZIVETAYWKX-CQSZACIVSA-N 1 1 381.448 3.813 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000728918884 843963354 /nfs/dbraw/zinc/96/33/54/843963354.db2.gz SEMWZIVETAYWKX-CQSZACIVSA-N 1 1 381.448 3.813 20 5 GHBDMO CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000471981796 844647113 /nfs/dbraw/zinc/64/71/13/844647113.db2.gz WLGBVFLKLQZASB-OAHLLOKOSA-N 1 1 387.505 3.861 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000176190749 844746059 /nfs/dbraw/zinc/74/60/59/844746059.db2.gz RDXWDONLTYEOQK-CYBMUJFWSA-N 1 1 380.404 3.589 20 5 GHBDMO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599661296 861493669 /nfs/dbraw/zinc/49/36/69/861493669.db2.gz SOZSUFKSABVVSA-KRWDZBQOSA-N 1 1 398.507 3.814 20 5 GHBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)c1cccc(OC)c1 ZINC000052706229 845124295 /nfs/dbraw/zinc/12/42/95/845124295.db2.gz YSPBNARRKWQJCU-OAHLLOKOSA-N 1 1 383.448 3.576 20 5 GHBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)c1cccc(OC)c1 ZINC000052706229 845124302 /nfs/dbraw/zinc/12/43/02/845124302.db2.gz YSPBNARRKWQJCU-OAHLLOKOSA-N 1 1 383.448 3.576 20 5 GHBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1c1ccccc1 ZINC001167499371 845307407 /nfs/dbraw/zinc/30/74/07/845307407.db2.gz HMAXEJDIRWEGCQ-UZLBHIALSA-N 1 1 379.460 3.610 20 5 GHBDMO CC(C)[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000513392167 845345060 /nfs/dbraw/zinc/34/50/60/845345060.db2.gz MGMUJYBFSVNGNA-UHFFFAOYSA-N 1 1 395.459 3.882 20 5 GHBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n1)OC2 ZINC000561932954 845519949 /nfs/dbraw/zinc/51/99/49/845519949.db2.gz CPTOCQMLPPDGNI-ACJLOTCBSA-N 1 1 386.433 3.785 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000599773151 861621914 /nfs/dbraw/zinc/62/19/14/861621914.db2.gz FXIZXSOESAHORL-QGZVFWFLSA-N 1 1 398.463 3.616 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000599773151 861621922 /nfs/dbraw/zinc/62/19/22/861621922.db2.gz FXIZXSOESAHORL-QGZVFWFLSA-N 1 1 398.463 3.616 20 5 GHBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000421388645 846204260 /nfs/dbraw/zinc/20/42/60/846204260.db2.gz QGDZEQMSJFIZAL-AWEZNQCLSA-N 1 1 389.839 3.608 20 5 GHBDMO Cc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000280698642 846494392 /nfs/dbraw/zinc/49/43/92/846494392.db2.gz HMFBUTDQSXFYGN-GXFFZTMASA-N 1 1 399.289 3.612 20 5 GHBDMO CC[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584281 846501944 /nfs/dbraw/zinc/50/19/44/846501944.db2.gz BMTRUIMWFMKHML-FCHUYYIVSA-N 1 1 383.492 3.927 20 5 GHBDMO CC[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584281 846501949 /nfs/dbraw/zinc/50/19/49/846501949.db2.gz BMTRUIMWFMKHML-FCHUYYIVSA-N 1 1 383.492 3.927 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000501026381 846561984 /nfs/dbraw/zinc/56/19/84/846561984.db2.gz SDFXAZRRNVUMHL-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000501026381 846561990 /nfs/dbraw/zinc/56/19/90/846561990.db2.gz SDFXAZRRNVUMHL-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511103681 846962617 /nfs/dbraw/zinc/96/26/17/846962617.db2.gz DKWQZRNXMNDSOJ-CQSZACIVSA-N 1 1 391.418 3.567 20 5 GHBDMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511103681 846962623 /nfs/dbraw/zinc/96/26/23/846962623.db2.gz DKWQZRNXMNDSOJ-CQSZACIVSA-N 1 1 391.418 3.567 20 5 GHBDMO Cc1cc(NC(=O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)ccc1Br ZINC000478200808 847010976 /nfs/dbraw/zinc/01/09/76/847010976.db2.gz TWYUCNYHSSZSDV-UHFFFAOYSA-N 1 1 396.216 3.533 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829330 861753604 /nfs/dbraw/zinc/75/36/04/861753604.db2.gz BZEBILCPLVUZIU-HNNXBMFYSA-N 1 1 385.468 3.633 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000479169614 847540797 /nfs/dbraw/zinc/54/07/97/847540797.db2.gz NFAUXLBTPPMHJY-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000303604925 861808458 /nfs/dbraw/zinc/80/84/58/861808458.db2.gz OCLPCOCUPGWTLS-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000503630760 847846593 /nfs/dbraw/zinc/84/65/93/847846593.db2.gz SETURLSDKHIYLV-WMLDXEAASA-N 1 1 377.510 3.653 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000502446971 847892021 /nfs/dbraw/zinc/89/20/21/847892021.db2.gz VBHZLZZFXZONEV-GOSISDBHSA-N 1 1 388.512 3.579 20 5 GHBDMO CN(c1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000611704796 848039190 /nfs/dbraw/zinc/03/91/90/848039190.db2.gz CDPCVTXVIXMKKB-SFHVURJKSA-N 1 1 377.448 3.639 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(Nc3ncnc4ccc([N+](=O)[O-])cc43)c2)C[C@H](C)O1 ZINC000611706877 848042621 /nfs/dbraw/zinc/04/26/21/848042621.db2.gz MIJZOWTWTCTXSJ-GASCZTMLSA-N 1 1 393.447 3.891 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)Cc1ccsc1 ZINC000187807953 848282271 /nfs/dbraw/zinc/28/22/71/848282271.db2.gz QALVCCXBIUWOQV-ZDUSSCGKSA-N 1 1 377.466 3.557 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277892192 848345902 /nfs/dbraw/zinc/34/59/02/848345902.db2.gz DNHIAJZMNRFBKR-OAHLLOKOSA-N 1 1 384.436 3.612 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000613239949 848942949 /nfs/dbraw/zinc/94/29/49/848942949.db2.gz BZMFBTGDHQAIPA-SFHVURJKSA-N 1 1 396.491 3.784 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)C[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178776110 849067175 /nfs/dbraw/zinc/06/71/75/849067175.db2.gz NXMDXBGJGYPZBQ-OXJNMPFZSA-N 1 1 383.448 3.551 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000732075121 862067521 /nfs/dbraw/zinc/06/75/21/862067521.db2.gz ZDUMCGQPXKGUBI-VBGPOXQHSA-N 1 1 381.432 3.640 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000494257859 881342875 /nfs/dbraw/zinc/34/28/75/881342875.db2.gz VDDTZMJPNSBRHI-QGZVFWFLSA-N 1 1 397.475 3.778 20 5 GHBDMO C[N@H+]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000435248475 850266388 /nfs/dbraw/zinc/26/63/88/850266388.db2.gz GLWCOYGQQYZTPH-UHFFFAOYSA-N 1 1 394.269 3.755 20 5 GHBDMO CN1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000435248475 850266396 /nfs/dbraw/zinc/26/63/96/850266396.db2.gz GLWCOYGQQYZTPH-UHFFFAOYSA-N 1 1 394.269 3.755 20 5 GHBDMO CN1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000435248475 850266405 /nfs/dbraw/zinc/26/64/05/850266405.db2.gz GLWCOYGQQYZTPH-UHFFFAOYSA-N 1 1 394.269 3.755 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000504916083 850448157 /nfs/dbraw/zinc/44/81/57/850448157.db2.gz YKJLHNQSGRKDNI-CYBMUJFWSA-N 1 1 388.855 3.817 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435814073 850894728 /nfs/dbraw/zinc/89/47/28/850894728.db2.gz PPGSBKSCAIHTIV-MRXNPFEDSA-N 1 1 377.488 3.676 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434423256 851111783 /nfs/dbraw/zinc/11/17/83/851111783.db2.gz DFWOJAAVIJOEOK-MRXNPFEDSA-N 1 1 377.510 3.842 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000488054088 851125645 /nfs/dbraw/zinc/12/56/45/851125645.db2.gz PRZKQLUSXBLWLX-FUHWJXTLSA-N 1 1 396.491 3.965 20 5 GHBDMO Cn1cc([C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000425465096 851206495 /nfs/dbraw/zinc/20/64/95/851206495.db2.gz ZAZMYCDEACGDRU-HNNXBMFYSA-N 1 1 381.274 3.968 20 5 GHBDMO Cc1sc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC000425091263 851243864 /nfs/dbraw/zinc/24/38/64/851243864.db2.gz YKGKMELMMPOLHA-UHFFFAOYSA-N 1 1 380.495 3.830 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000519523178 851257819 /nfs/dbraw/zinc/25/78/19/851257819.db2.gz AYLRMDOGZUIBJL-OAHLLOKOSA-N 1 1 399.441 3.514 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCCCO)c([N+](=O)[O-])c1 ZINC000434665148 851454394 /nfs/dbraw/zinc/45/43/94/851454394.db2.gz MWSJINUSILWWPD-HXUWFJFHSA-N 1 1 385.464 3.677 20 5 GHBDMO Cc1ccc(N2CCC(Nc3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000436383753 851539783 /nfs/dbraw/zinc/53/97/83/851539783.db2.gz DTHLXYVCBWHAIY-UHFFFAOYSA-N 1 1 381.358 3.793 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000488529254 851586145 /nfs/dbraw/zinc/58/61/45/851586145.db2.gz NYGMSJBHTLTZJJ-IAGOWNOFSA-N 1 1 377.510 3.700 20 5 GHBDMO COc1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000184227164 851746783 /nfs/dbraw/zinc/74/67/83/851746783.db2.gz FCTVZNZACRGKHP-KRWDZBQOSA-N 1 1 387.455 3.696 20 5 GHBDMO Cc1c(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000025042035 851818202 /nfs/dbraw/zinc/81/82/02/851818202.db2.gz AFNDYGIFMNOTAA-HUUCEWRRSA-N 1 1 383.448 3.765 20 5 GHBDMO CNC(=O)C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000481829922 862340360 /nfs/dbraw/zinc/34/03/60/862340360.db2.gz HYUIBDLEOPBQHR-GOSISDBHSA-N 1 1 379.416 3.822 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000426867047 852480616 /nfs/dbraw/zinc/48/06/16/852480616.db2.gz QPWHNCOAWPOEPF-OAHLLOKOSA-N 1 1 399.447 3.576 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000506270730 852546009 /nfs/dbraw/zinc/54/60/09/852546009.db2.gz MFLJNTILCASWAF-CVEARBPZSA-N 1 1 379.526 3.846 20 5 GHBDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000489865562 852616616 /nfs/dbraw/zinc/61/66/16/852616616.db2.gz XFGJTPOBPLRIRL-QFBILLFUSA-N 1 1 382.464 3.935 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507166215 852617156 /nfs/dbraw/zinc/61/71/56/852617156.db2.gz VLOBZKMKVFBYBA-INIZCTEOSA-N 1 1 383.448 3.730 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000489981058 852704397 /nfs/dbraw/zinc/70/43/97/852704397.db2.gz LFKFGNPYLFVGOG-PBHICJAKSA-N 1 1 379.526 3.801 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000489981063 852705122 /nfs/dbraw/zinc/70/51/22/852705122.db2.gz LFKFGNPYLFVGOG-YOEHRIQHSA-N 1 1 379.526 3.801 20 5 GHBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323768126 852719356 /nfs/dbraw/zinc/71/93/56/852719356.db2.gz YJDPAJNCHHOOKB-OAHLLOKOSA-N 1 1 387.867 3.842 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000490048951 852735532 /nfs/dbraw/zinc/73/55/32/852735532.db2.gz XBCMFVPJZKXQHL-AWEZNQCLSA-N 1 1 389.427 3.828 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000490048951 852735536 /nfs/dbraw/zinc/73/55/36/852735536.db2.gz XBCMFVPJZKXQHL-AWEZNQCLSA-N 1 1 389.427 3.828 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000427189158 852837077 /nfs/dbraw/zinc/83/70/77/852837077.db2.gz JFFJBSDPQMLDHG-GOSISDBHSA-N 1 1 397.475 3.776 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490227981 852841471 /nfs/dbraw/zinc/84/14/71/852841471.db2.gz XGIMLFACXSEVTE-RBUKOAKNSA-N 1 1 389.402 3.827 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490227981 852841477 /nfs/dbraw/zinc/84/14/77/852841477.db2.gz XGIMLFACXSEVTE-RBUKOAKNSA-N 1 1 389.402 3.827 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000516654678 852844782 /nfs/dbraw/zinc/84/47/82/852844782.db2.gz RCDOQTQDPYUPJY-NRFANRHFSA-N 1 1 382.464 3.998 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437844504 852854961 /nfs/dbraw/zinc/85/49/61/852854961.db2.gz UWSAJQDRMWRNNK-YJBOKZPZSA-N 1 1 391.537 3.989 20 5 GHBDMO COc1cc(C[N@H+](C)CCCOc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000509554339 852907437 /nfs/dbraw/zinc/90/74/37/852907437.db2.gz GJVCTAMGGMAKHV-UHFFFAOYSA-N 1 1 378.400 3.652 20 5 GHBDMO COc1cc(C[N@@H+](C)CCCOc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000509554339 852907442 /nfs/dbraw/zinc/90/74/42/852907442.db2.gz GJVCTAMGGMAKHV-UHFFFAOYSA-N 1 1 378.400 3.652 20 5 GHBDMO COC1CC[NH+](C2(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)CCCC2)CC1 ZINC000516708580 852911265 /nfs/dbraw/zinc/91/12/65/852911265.db2.gz UNZBLXZOCBLLTK-NRFANRHFSA-N 1 1 387.524 3.985 20 5 GHBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481868141 862430877 /nfs/dbraw/zinc/43/08/77/862430877.db2.gz MWXNMOFNIDJPHW-UWJYYQICSA-N 1 1 397.450 3.861 20 5 GHBDMO Cc1cccc([C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+]2CCOCC2)c1 ZINC000029626654 853294469 /nfs/dbraw/zinc/29/44/69/853294469.db2.gz YJPLEELIQPTITR-QFIPXVFZSA-N 1 1 392.459 3.937 20 5 GHBDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000439334452 853546055 /nfs/dbraw/zinc/54/60/55/853546055.db2.gz XGINMDJCPSVNHS-GDBMZVCRSA-N 1 1 397.431 3.530 20 5 GHBDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000439334452 853546063 /nfs/dbraw/zinc/54/60/63/853546063.db2.gz XGINMDJCPSVNHS-GDBMZVCRSA-N 1 1 397.431 3.530 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000426379409 853629435 /nfs/dbraw/zinc/62/94/35/853629435.db2.gz SXYCVGFSRDUAIQ-HYXAFXHYSA-N 1 1 397.294 3.927 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000763989743 862495265 /nfs/dbraw/zinc/49/52/65/862495265.db2.gz AEFZFUOEGPFTES-UQASEVPWSA-N 1 1 398.459 3.943 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000484651192 853920602 /nfs/dbraw/zinc/92/06/02/853920602.db2.gz NJYPLTIRGQNKKG-UHFFFAOYSA-N 1 1 377.828 3.961 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438500568 854043456 /nfs/dbraw/zinc/04/34/56/854043456.db2.gz QYZUVNDVZMOOSV-NRFANRHFSA-N 1 1 383.448 3.596 20 5 GHBDMO COc1ccc(OCCN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397867 854181417 /nfs/dbraw/zinc/18/14/17/854181417.db2.gz RJCMYHOPULFRBJ-QZTJIDSGSA-N 1 1 391.512 3.569 20 5 GHBDMO O=C(CC[N@H+](Cc1ccco1)Cc1cccnc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129668773 854592705 /nfs/dbraw/zinc/59/27/05/854592705.db2.gz CNVBSAUGUDPQGX-UHFFFAOYSA-N 1 1 398.394 3.753 20 5 GHBDMO O=C(CC[N@@H+](Cc1ccco1)Cc1cccnc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129668773 854592711 /nfs/dbraw/zinc/59/27/11/854592711.db2.gz CNVBSAUGUDPQGX-UHFFFAOYSA-N 1 1 398.394 3.753 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000056459233 854739148 /nfs/dbraw/zinc/73/91/48/854739148.db2.gz CUDZELLFQPDCIW-KRWDZBQOSA-N 1 1 396.491 3.826 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000056459230 854740155 /nfs/dbraw/zinc/74/01/55/854740155.db2.gz CUDZELLFQPDCIW-QGZVFWFLSA-N 1 1 396.491 3.826 20 5 GHBDMO COc1cccc([C@H](C)[NH+]2CCN(c3cc(OC)cc(F)c3[N+](=O)[O-])CC2)c1 ZINC000301455009 854786794 /nfs/dbraw/zinc/78/67/94/854786794.db2.gz WBZAIIIRHDOHFT-AWEZNQCLSA-N 1 1 389.427 3.634 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000272965244 854908500 /nfs/dbraw/zinc/90/85/00/854908500.db2.gz AQLJYPOEJBAHSK-UHFFFAOYSA-N 1 1 392.506 3.792 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000272965244 854908504 /nfs/dbraw/zinc/90/85/04/854908504.db2.gz AQLJYPOEJBAHSK-UHFFFAOYSA-N 1 1 392.506 3.792 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000589501644 854911063 /nfs/dbraw/zinc/91/10/63/854911063.db2.gz UUHLYXSWASHMPS-FQEVSTJZSA-N 1 1 398.459 3.605 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000589501644 854911072 /nfs/dbraw/zinc/91/10/72/854911072.db2.gz UUHLYXSWASHMPS-FQEVSTJZSA-N 1 1 398.459 3.605 20 5 GHBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000589630955 855081236 /nfs/dbraw/zinc/08/12/36/855081236.db2.gz CBCDCYTYXXCCNJ-CYBMUJFWSA-N 1 1 376.482 3.569 20 5 GHBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC[N@H+]2C2CC2)c1 ZINC000482048388 862640124 /nfs/dbraw/zinc/64/01/24/862640124.db2.gz YJYZRRSLBFFCQE-FPOVZHCZSA-N 1 1 395.459 3.620 20 5 GHBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000482049039 862641633 /nfs/dbraw/zinc/64/16/33/862641633.db2.gz ZIVDUWWCFYFBIW-FPOVZHCZSA-N 1 1 395.459 3.620 20 5 GHBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129543283 855373571 /nfs/dbraw/zinc/37/35/71/855373571.db2.gz CVHKXSVQJZARHE-UHFFFAOYSA-N 1 1 379.416 3.750 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129543283 855373576 /nfs/dbraw/zinc/37/35/76/855373576.db2.gz CVHKXSVQJZARHE-UHFFFAOYSA-N 1 1 379.416 3.750 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600762 855505328 /nfs/dbraw/zinc/50/53/28/855505328.db2.gz MNLWRRUDJPLVRR-GDBMZVCRSA-N 1 1 379.420 3.980 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCCc3c(F)cc(F)cc31)OCCO2 ZINC000590654628 855534733 /nfs/dbraw/zinc/53/47/33/855534733.db2.gz ZCIAALUBNAXRLZ-INIZCTEOSA-N 1 1 376.359 3.811 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000520564676 855678866 /nfs/dbraw/zinc/67/88/66/855678866.db2.gz JSIVWQYGEDWLGK-UHFFFAOYSA-N 1 1 397.475 3.776 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590972112 855681130 /nfs/dbraw/zinc/68/11/30/855681130.db2.gz AOAUNSAZAIDYPK-QUCCMNQESA-N 1 1 398.459 3.793 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000520654500 855932431 /nfs/dbraw/zinc/93/24/31/855932431.db2.gz KSTXICFQOFFGQG-OAHLLOKOSA-N 1 1 387.505 3.957 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000573423527 856118716 /nfs/dbraw/zinc/11/87/16/856118716.db2.gz FOLQGJIFLBGXJS-XLNTUCKNSA-N 1 1 389.496 3.575 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CC=CCC1 ZINC000485128268 856126662 /nfs/dbraw/zinc/12/66/62/856126662.db2.gz DPXKGNVAUQMHIW-QGZVFWFLSA-N 1 1 375.469 3.537 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712446 856217072 /nfs/dbraw/zinc/21/70/72/856217072.db2.gz WZKYMHHTZWMDIN-CQSZACIVSA-N 1 1 385.247 3.773 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000573472328 856248279 /nfs/dbraw/zinc/24/82/79/856248279.db2.gz YRHBIGYSOCHENT-MDWZMJQESA-N 1 1 379.258 3.589 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)cc1C(F)(F)F ZINC000301423272 856352810 /nfs/dbraw/zinc/35/28/10/856352810.db2.gz AMCOTCTZDNPZCG-UHFFFAOYSA-N 1 1 381.354 3.641 20 5 GHBDMO Cn1ccc([C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)n1 ZINC000542669052 856395486 /nfs/dbraw/zinc/39/54/86/856395486.db2.gz RGDKXWIAKPVCLV-IBGZPJMESA-N 1 1 386.839 3.740 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCCCCn1cccn1)[C@H]1CC[C@H](O)CC1 ZINC000592130716 856669330 /nfs/dbraw/zinc/66/93/30/856669330.db2.gz JZWGRQXESHCNRC-MXVIHJGJSA-N 1 1 386.496 3.767 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000508001990 856786626 /nfs/dbraw/zinc/78/66/26/856786626.db2.gz XRYSNUCKHBHFRK-MRXNPFEDSA-N 1 1 398.463 3.548 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000508001990 856786632 /nfs/dbraw/zinc/78/66/32/856786632.db2.gz XRYSNUCKHBHFRK-MRXNPFEDSA-N 1 1 398.463 3.548 20 5 GHBDMO CCOc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000173701362 857092476 /nfs/dbraw/zinc/09/24/76/857092476.db2.gz QECHIZMAEFTZRP-LJQANCHMSA-N 1 1 397.475 3.730 20 5 GHBDMO CN(C(=O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173750487 857128280 /nfs/dbraw/zinc/12/82/80/857128280.db2.gz OFLUCHCNKRBLRA-MRXNPFEDSA-N 1 1 385.489 3.672 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1 ZINC000593029911 857185502 /nfs/dbraw/zinc/18/55/02/857185502.db2.gz ZMXUGGLKDKELKF-OBZTVWKBSA-N 1 1 390.480 3.533 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000520810796 857239143 /nfs/dbraw/zinc/23/91/43/857239143.db2.gz GAFPQMKJEDGBLU-DNVCBOLYSA-N 1 1 376.840 3.825 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000246218301 857302418 /nfs/dbraw/zinc/30/24/18/857302418.db2.gz UVCHGQUTIIIRQZ-UZLBHIALSA-N 1 1 387.505 3.788 20 5 GHBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342146 857367877 /nfs/dbraw/zinc/36/78/77/857367877.db2.gz WZUXZDGUBXKREQ-UHFFFAOYSA-N 1 1 388.855 3.818 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)cc1OC(F)F ZINC000301724012 857408529 /nfs/dbraw/zinc/40/85/29/857408529.db2.gz SSQGYPQMLWXDMK-UHFFFAOYSA-N 1 1 381.354 3.658 20 5 GHBDMO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174956201 857412884 /nfs/dbraw/zinc/41/28/84/857412884.db2.gz USFBMJVPTDHPBP-HXUWFJFHSA-N 1 1 397.475 3.558 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cc2ccccc2o1 ZINC000175189860 857459832 /nfs/dbraw/zinc/45/98/32/857459832.db2.gz JGVPSHXVBKYYGP-CYBMUJFWSA-N 1 1 383.404 3.809 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175189860 857459846 /nfs/dbraw/zinc/45/98/46/857459846.db2.gz JGVPSHXVBKYYGP-CYBMUJFWSA-N 1 1 383.404 3.809 20 5 GHBDMO C[C@H](NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000486212876 857557052 /nfs/dbraw/zinc/55/70/52/857557052.db2.gz FQTJMVNJLPLTDD-ZWOKBUDYSA-N 1 1 396.491 3.866 20 5 GHBDMO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000486212871 857557086 /nfs/dbraw/zinc/55/70/86/857557086.db2.gz FQTJMVNJLPLTDD-ABSDTBQOSA-N 1 1 396.491 3.866 20 5 GHBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC000046403841 857680917 /nfs/dbraw/zinc/68/09/17/857680917.db2.gz GCSXWJCBPZLAAE-UHFFFAOYSA-N 1 1 388.855 3.642 20 5 GHBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000442298581 857718054 /nfs/dbraw/zinc/71/80/54/857718054.db2.gz AEPUAMJNXUVXGE-OAHLLOKOSA-N 1 1 385.489 3.818 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000114425235 858022216 /nfs/dbraw/zinc/02/22/16/858022216.db2.gz GQWGFQGJPDOZOX-CYBMUJFWSA-N 1 1 399.394 3.679 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000114425235 858022222 /nfs/dbraw/zinc/02/22/22/858022222.db2.gz GQWGFQGJPDOZOX-CYBMUJFWSA-N 1 1 399.394 3.679 20 5 GHBDMO CCCc1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1[N+](=O)[O-] ZINC000078775051 858224076 /nfs/dbraw/zinc/22/40/76/858224076.db2.gz YPYBQHFRGGQSBB-HNNXBMFYSA-N 1 1 399.495 3.575 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000594735709 858268663 /nfs/dbraw/zinc/26/86/63/858268663.db2.gz NIMLPKAEJWIELW-QGZVFWFLSA-N 1 1 386.521 3.930 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000595052525 858380172 /nfs/dbraw/zinc/38/01/72/858380172.db2.gz YVFPFEJFXVHTRC-NSHDSACASA-N 1 1 398.868 3.511 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000595421608 858526012 /nfs/dbraw/zinc/52/60/12/858526012.db2.gz GVPBDYIBSYZEFP-INIZCTEOSA-N 1 1 381.411 3.899 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000593017792 858537048 /nfs/dbraw/zinc/53/70/48/858537048.db2.gz BCULMXZPTMFBIU-ZDUSSCGKSA-N 1 1 388.420 3.558 20 5 GHBDMO Cc1noc(C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000595500302 858546794 /nfs/dbraw/zinc/54/67/94/858546794.db2.gz IANYYWBQEIXSLD-CYBMUJFWSA-N 1 1 380.242 3.718 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595746565 858673133 /nfs/dbraw/zinc/67/31/33/858673133.db2.gz CXTLDKMHEBJXPD-PZJWPPBQSA-N 1 1 384.476 3.980 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595784887 858687128 /nfs/dbraw/zinc/68/71/28/858687128.db2.gz CFNXJSDYWCVPGI-LPHOPBHVSA-N 1 1 375.469 3.513 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000593123884 858691603 /nfs/dbraw/zinc/69/16/03/858691603.db2.gz FXJISCKFWNOXTH-NYVOZVTQSA-N 1 1 398.459 3.977 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000596061869 858768610 /nfs/dbraw/zinc/76/86/10/858768610.db2.gz LKPONKFAARVUMA-UHFFFAOYSA-N 1 1 377.269 3.900 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000195214661 881351655 /nfs/dbraw/zinc/35/16/55/881351655.db2.gz XWDITTSVIBXLQQ-KRWDZBQOSA-N 1 1 397.475 3.646 20 5 GHBDMO CCCOc1cccc(CNC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429266070 858863744 /nfs/dbraw/zinc/86/37/44/858863744.db2.gz RVZUAQPFSMTBCH-UHFFFAOYSA-N 1 1 385.464 3.525 20 5 GHBDMO Cc1c(C[NH+]2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)cccc1[N+](=O)[O-] ZINC000596605674 858964009 /nfs/dbraw/zinc/96/40/09/858964009.db2.gz OFHBQSVJWBQPHB-UHFFFAOYSA-N 1 1 382.395 3.866 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc([N+](=O)[O-])cc3)n2)O1 ZINC000596613839 858968921 /nfs/dbraw/zinc/96/89/21/858968921.db2.gz LSOFFFNSLSAYRL-KDOFPFPSSA-N 1 1 380.404 3.607 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc([N+](=O)[O-])cc3)n2)O1 ZINC000596613839 858968928 /nfs/dbraw/zinc/96/89/28/858968928.db2.gz LSOFFFNSLSAYRL-KDOFPFPSSA-N 1 1 380.404 3.607 20 5 GHBDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439314460 859054196 /nfs/dbraw/zinc/05/41/96/859054196.db2.gz JZXZBJTVYYYNHI-SJLPKXTDSA-N 1 1 388.489 3.637 20 5 GHBDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439314460 859054204 /nfs/dbraw/zinc/05/42/04/859054204.db2.gz JZXZBJTVYYYNHI-SJLPKXTDSA-N 1 1 388.489 3.637 20 5 GHBDMO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466308801 859074253 /nfs/dbraw/zinc/07/42/53/859074253.db2.gz STDVRIZWMXAMLB-ZDUSSCGKSA-N 1 1 398.410 3.582 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596828229 859111008 /nfs/dbraw/zinc/11/10/08/859111008.db2.gz CLQRMEKOFPYXFB-KRWDZBQOSA-N 1 1 386.496 3.676 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352912 881389872 /nfs/dbraw/zinc/38/98/72/881389872.db2.gz UDTMFWLXPNTFIC-ICSRJNTNSA-N 1 1 397.519 3.988 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352912 881389887 /nfs/dbraw/zinc/38/98/87/881389887.db2.gz UDTMFWLXPNTFIC-ICSRJNTNSA-N 1 1 397.519 3.988 20 5 GHBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543643383 859179775 /nfs/dbraw/zinc/17/97/75/859179775.db2.gz CCXMAYKPRYAKGB-GOEBONIOSA-N 1 1 386.427 3.766 20 5 GHBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000483424871 859358134 /nfs/dbraw/zinc/35/81/34/859358134.db2.gz XHZQXNCVYVRZDS-HXUWFJFHSA-N 1 1 382.395 3.948 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCC2 ZINC000121133943 859359946 /nfs/dbraw/zinc/35/99/46/859359946.db2.gz BNSPPLFPBIGKOO-QZTJIDSGSA-N 1 1 376.453 3.631 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC3(COC3)C2)cc1 ZINC000597228836 859362388 /nfs/dbraw/zinc/36/23/88/859362388.db2.gz HFJZVXWEFCRLKI-UHFFFAOYSA-N 1 1 390.443 3.670 20 5 GHBDMO Cc1ccc(C[NH+]2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)cc1[N+](=O)[O-] ZINC000597260175 859386665 /nfs/dbraw/zinc/38/66/65/859386665.db2.gz OSWOZPQGJWCGPM-UHFFFAOYSA-N 1 1 382.395 3.866 20 5 GHBDMO CC(C)[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000063560001 859387738 /nfs/dbraw/zinc/38/77/38/859387738.db2.gz IIRACWUQGONPSC-UHFFFAOYSA-N 1 1 385.468 3.756 20 5 GHBDMO CC(C)[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000063560001 859387751 /nfs/dbraw/zinc/38/77/51/859387751.db2.gz IIRACWUQGONPSC-UHFFFAOYSA-N 1 1 385.468 3.756 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)c1ccco1 ZINC000895457804 859512008 /nfs/dbraw/zinc/51/20/08/859512008.db2.gz RUWOTNYNUJYZHT-JTQLQIEISA-N 1 1 390.198 3.666 20 5 GHBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)O1 ZINC000060564953 859536711 /nfs/dbraw/zinc/53/67/11/859536711.db2.gz YUOSAZVLDSEUPA-TXEJJXNPSA-N 1 1 375.391 3.913 20 5 GHBDMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444790509 859618899 /nfs/dbraw/zinc/61/88/99/859618899.db2.gz JJSNCWWHSZJEKN-HNNXBMFYSA-N 1 1 381.354 3.785 20 5 GHBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611201272 859648156 /nfs/dbraw/zinc/64/81/56/859648156.db2.gz MRYJCUWRIAEGML-UHFFFAOYSA-N 1 1 388.493 3.955 20 5 GHBDMO C[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1 ZINC000483842894 859657592 /nfs/dbraw/zinc/65/75/92/859657592.db2.gz RJTZPCCVGVZOFP-UHFFFAOYSA-N 1 1 380.807 3.641 20 5 GHBDMO Cn1cc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611268316 859673868 /nfs/dbraw/zinc/67/38/68/859673868.db2.gz VIDSERFFMXXZSW-NRFANRHFSA-N 1 1 392.459 3.959 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000597609099 859679003 /nfs/dbraw/zinc/67/90/03/859679003.db2.gz FAWKKDYNCBYRQZ-UHFFFAOYSA-N 1 1 391.855 3.541 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000597609099 859679018 /nfs/dbraw/zinc/67/90/18/859679018.db2.gz FAWKKDYNCBYRQZ-UHFFFAOYSA-N 1 1 391.855 3.541 20 5 GHBDMO Cc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301980406 859707768 /nfs/dbraw/zinc/70/77/68/859707768.db2.gz ARORLINRPSOROC-INIZCTEOSA-N 1 1 377.448 3.730 20 5 GHBDMO CCOc1cc(N2CC[NH+](Cc3cnc4ccccc4c3)CC2)ccc1[N+](=O)[O-] ZINC000499789656 859777914 /nfs/dbraw/zinc/77/79/14/859777914.db2.gz AZRAGKXYLDIJNJ-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000484158418 859852768 /nfs/dbraw/zinc/85/27/68/859852768.db2.gz BQJARSWFOCFSKD-HOTGVXAUSA-N 1 1 385.468 3.736 20 5 GHBDMO CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160867 859855031 /nfs/dbraw/zinc/85/50/31/859855031.db2.gz MQFIUKCNSKKSNX-HJNYFJLDSA-N 1 1 383.492 3.519 20 5 GHBDMO CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160867 859855044 /nfs/dbraw/zinc/85/50/44/859855044.db2.gz MQFIUKCNSKKSNX-HJNYFJLDSA-N 1 1 383.492 3.519 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000092453060 860051628 /nfs/dbraw/zinc/05/16/28/860051628.db2.gz LSNNNGSEBULQSN-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000092453060 860051631 /nfs/dbraw/zinc/05/16/31/860051631.db2.gz LSNNNGSEBULQSN-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000484571106 860125330 /nfs/dbraw/zinc/12/53/30/860125330.db2.gz MVHSIZDZQUFUFA-AWEZNQCLSA-N 1 1 379.416 3.923 20 5 GHBDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000484571106 860125336 /nfs/dbraw/zinc/12/53/36/860125336.db2.gz MVHSIZDZQUFUFA-AWEZNQCLSA-N 1 1 379.416 3.923 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000602619705 860159307 /nfs/dbraw/zinc/15/93/07/860159307.db2.gz PSKBVUDSTFHSQH-UHFFFAOYSA-N 1 1 376.400 3.712 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](CO)C3)o2)c(Br)c1 ZINC000154591078 860194497 /nfs/dbraw/zinc/19/44/97/860194497.db2.gz JIQHFXVVAXTNCW-LBPRGKRZSA-N 1 1 395.253 3.822 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(-c4ccccn4)c3)C2)nc1 ZINC000093534569 860297388 /nfs/dbraw/zinc/29/73/88/860297388.db2.gz SDZOTBZMOCWWGW-GOSISDBHSA-N 1 1 375.432 3.738 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598507408 860369203 /nfs/dbraw/zinc/36/92/03/860369203.db2.gz AODVPAZCYYVULL-HNNXBMFYSA-N 1 1 393.365 3.618 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598507408 860369210 /nfs/dbraw/zinc/36/92/10/860369210.db2.gz AODVPAZCYYVULL-HNNXBMFYSA-N 1 1 393.365 3.618 20 5 GHBDMO CCO[C@@H](CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000552250121 860407766 /nfs/dbraw/zinc/40/77/66/860407766.db2.gz VNVJZOKQLSAPKD-PMACEKPBSA-N 1 1 386.496 3.993 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552280356 860415621 /nfs/dbraw/zinc/41/56/21/860415621.db2.gz DWMAZLQKQTVBLP-CEWLAPEOSA-N 1 1 392.459 3.928 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552276086 860416999 /nfs/dbraw/zinc/41/69/99/860416999.db2.gz KEEFITVGSMSAGO-HKUYNNGSSA-N 1 1 384.480 3.889 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1 ZINC000155221395 860447364 /nfs/dbraw/zinc/44/73/64/860447364.db2.gz HBFWCJMCUXASNP-MRXNPFEDSA-N 1 1 380.404 3.643 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000155334559 860483020 /nfs/dbraw/zinc/48/30/20/860483020.db2.gz SLJONJHJNONGBW-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO CCC[NH+]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000598767485 860561777 /nfs/dbraw/zinc/56/17/77/860561777.db2.gz LOYRYHAVNZJNPY-UHFFFAOYSA-N 1 1 379.526 3.901 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c2cc([N+](=O)[O-])ccc12 ZINC000761291964 860623899 /nfs/dbraw/zinc/62/38/99/860623899.db2.gz LBJGTOZKRJCLBU-QGZVFWFLSA-N 1 1 390.447 3.725 20 5 GHBDMO CC1(C)OCc2cc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc2O1 ZINC000186593620 860640306 /nfs/dbraw/zinc/64/03/06/860640306.db2.gz YRUGQYFQMNKQLA-UHFFFAOYSA-N 1 1 383.448 3.562 20 5 GHBDMO Cc1ccc(C(C)(C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000599067589 860774057 /nfs/dbraw/zinc/77/40/57/860774057.db2.gz GPOSGQFHYSXBHK-IBGZPJMESA-N 1 1 379.464 3.689 20 5 GHBDMO C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000025634747 860939772 /nfs/dbraw/zinc/93/97/72/860939772.db2.gz HFSHFIFQNICWHF-CVEARBPZSA-N 1 1 399.516 3.638 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599245717 860951040 /nfs/dbraw/zinc/95/10/40/860951040.db2.gz UFXLSGWRZAYYHD-CYBMUJFWSA-N 1 1 398.301 3.742 20 5 GHBDMO C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000557039187 881610455 /nfs/dbraw/zinc/61/04/55/881610455.db2.gz YINXKOOYKZRZFS-LPHOPBHVSA-N 1 1 381.476 3.652 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603731468 861101906 /nfs/dbraw/zinc/10/19/06/861101906.db2.gz VKUXZVMNPHTSMG-INIZCTEOSA-N 1 1 383.404 3.891 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000609195077 881618710 /nfs/dbraw/zinc/61/87/10/881618710.db2.gz YJTZRZUTRRMYFY-UHFFFAOYSA-N 1 1 389.402 4.000 20 5 GHBDMO Cc1nc(C[N@@H+]2CCCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)cs1 ZINC000302020858 861175344 /nfs/dbraw/zinc/17/53/44/861175344.db2.gz NRRJMPVKSFUEKD-UHFFFAOYSA-N 1 1 397.504 3.929 20 5 GHBDMO Cc1nc(C[N@H+]2CCCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)cs1 ZINC000302020858 861175350 /nfs/dbraw/zinc/17/53/50/861175350.db2.gz NRRJMPVKSFUEKD-UHFFFAOYSA-N 1 1 397.504 3.929 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](O)C[C@@H]3c3cccc(F)c3)o2)c1 ZINC000281628736 863292894 /nfs/dbraw/zinc/29/28/94/863292894.db2.gz HZSVJBRRSHVDLI-RTBURBONSA-N 1 1 397.406 3.739 20 5 GHBDMO C[C@@H]1SCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000522835201 863519075 /nfs/dbraw/zinc/51/90/75/863519075.db2.gz NOFADVNBOXNXLZ-ZAAXVRCTSA-N 1 1 388.489 3.513 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000444172690 863605213 /nfs/dbraw/zinc/60/52/13/863605213.db2.gz ZYZIMKGMQWDAJD-UHFFFAOYSA-N 1 1 385.464 3.760 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000444214134 863687171 /nfs/dbraw/zinc/68/71/71/863687171.db2.gz QUHASRXYRRJSMH-VJFUWPCTSA-N 1 1 389.496 3.901 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000444247588 863752799 /nfs/dbraw/zinc/75/27/99/863752799.db2.gz GBCLHJJHMKSVJE-GOSISDBHSA-N 1 1 382.464 3.745 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000444247588 863752807 /nfs/dbraw/zinc/75/28/07/863752807.db2.gz GBCLHJJHMKSVJE-GOSISDBHSA-N 1 1 382.464 3.745 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444253236 863761400 /nfs/dbraw/zinc/76/14/00/863761400.db2.gz STXUKWMKERHXTM-GOSISDBHSA-N 1 1 391.515 3.922 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000172788316 863967284 /nfs/dbraw/zinc/96/72/84/863967284.db2.gz XVSMCORQMHIFGL-LLVKDONJSA-N 1 1 390.362 3.690 20 5 GHBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172905108 864105492 /nfs/dbraw/zinc/10/54/92/864105492.db2.gz DCZQPHKYNICZLB-PBHICJAKSA-N 1 1 381.411 3.828 20 5 GHBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000475097201 864184228 /nfs/dbraw/zinc/18/42/28/864184228.db2.gz YEOGWKVMFNBUAQ-XQTSXYSPSA-N 1 1 390.484 3.609 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)CC[C@H]21 ZINC000897018516 864284468 /nfs/dbraw/zinc/28/44/68/864284468.db2.gz ZKWUOOIHFGFOFW-BXKDBHETSA-N 1 1 390.242 3.597 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000043307387 864331298 /nfs/dbraw/zinc/33/12/98/864331298.db2.gz HQSVSLHKJWNXBF-SFHVURJKSA-N 1 1 390.871 3.693 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734835093 864470091 /nfs/dbraw/zinc/47/00/91/864470091.db2.gz KZDSDVXRVHDUJB-CYBMUJFWSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734835093 864470094 /nfs/dbraw/zinc/47/00/94/864470094.db2.gz KZDSDVXRVHDUJB-CYBMUJFWSA-N 1 1 383.876 3.985 20 5 GHBDMO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000734852453 864480909 /nfs/dbraw/zinc/48/09/09/864480909.db2.gz UUGOQWJIGCOVRI-KRWDZBQOSA-N 1 1 381.461 3.984 20 5 GHBDMO Cc1cc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000072097691 864482441 /nfs/dbraw/zinc/48/24/41/864482441.db2.gz YNYRZASZJPNSFB-OAHLLOKOSA-N 1 1 396.491 3.647 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480517591 864795535 /nfs/dbraw/zinc/79/55/35/864795535.db2.gz WWKBYEDUZYRFRP-QGZVFWFLSA-N 1 1 399.495 3.626 20 5 GHBDMO CN(C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)C(=O)OC(C)(C)C ZINC000735492070 864826216 /nfs/dbraw/zinc/82/62/16/864826216.db2.gz NHPIFSXYEOEXJK-ZDUSSCGKSA-N 1 1 383.876 3.937 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)C(=O)OC(C)(C)C ZINC000735492070 864826234 /nfs/dbraw/zinc/82/62/34/864826234.db2.gz NHPIFSXYEOEXJK-ZDUSSCGKSA-N 1 1 383.876 3.937 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237460880 864841958 /nfs/dbraw/zinc/84/19/58/864841958.db2.gz UBPGMTNJMHDTSE-MRXNPFEDSA-N 1 1 385.512 3.595 20 5 GHBDMO C[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237460880 864841969 /nfs/dbraw/zinc/84/19/69/864841969.db2.gz UBPGMTNJMHDTSE-MRXNPFEDSA-N 1 1 385.512 3.595 20 5 GHBDMO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554834604 865014690 /nfs/dbraw/zinc/01/46/90/865014690.db2.gz KFQMULSGGKYRFT-MAUKXSAKSA-N 1 1 387.505 3.883 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186431754 865328162 /nfs/dbraw/zinc/32/81/62/865328162.db2.gz OQYFCMJEJLUIPH-IBGZPJMESA-N 1 1 376.359 3.828 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186431754 865328177 /nfs/dbraw/zinc/32/81/77/865328177.db2.gz OQYFCMJEJLUIPH-IBGZPJMESA-N 1 1 376.359 3.828 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000555007106 865328208 /nfs/dbraw/zinc/32/82/08/865328208.db2.gz QUHQUTVTRKESJR-SJORKVTESA-N 1 1 389.496 3.720 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000555007103 865329018 /nfs/dbraw/zinc/32/90/18/865329018.db2.gz QUHQUTVTRKESJR-DLBZAZTESA-N 1 1 389.496 3.720 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594197503 865336130 /nfs/dbraw/zinc/33/61/30/865336130.db2.gz OWBYDAMUASLMOL-DLBZAZTESA-N 1 1 377.510 3.844 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000763762276 865452654 /nfs/dbraw/zinc/45/26/54/865452654.db2.gz NGDUKLLDUPUOAD-OAHLLOKOSA-N 1 1 377.460 3.851 20 5 GHBDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000738055564 865488540 /nfs/dbraw/zinc/48/85/40/865488540.db2.gz KQKOJZJCHRGLQB-AEFFLSMTSA-N 1 1 377.448 3.997 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2nnnn2-c2ccccc2)s1 ZINC000608837124 865740573 /nfs/dbraw/zinc/74/05/73/865740573.db2.gz RFHJIZGPWYLMIN-UHFFFAOYSA-N 1 1 392.444 3.589 20 5 GHBDMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)s1 ZINC000185359111 866013592 /nfs/dbraw/zinc/01/35/92/866013592.db2.gz RWDGOJVQYXLYBI-HNNXBMFYSA-N 1 1 380.857 3.693 20 5 GHBDMO Cc1cc(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000523096327 866117646 /nfs/dbraw/zinc/11/76/46/866117646.db2.gz GPYGVXTZIPIOFD-HOTGVXAUSA-N 1 1 383.448 3.765 20 5 GHBDMO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000737414436 866211177 /nfs/dbraw/zinc/21/11/77/866211177.db2.gz YERMTSGNHMSRFI-NVXWUHKLSA-N 1 1 384.436 3.992 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2C)cc1[N+](=O)[O-] ZINC000475555071 866270277 /nfs/dbraw/zinc/27/02/77/866270277.db2.gz VIICQHYVCLQAIN-SFHVURJKSA-N 1 1 384.432 3.792 20 5 GHBDMO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2C1 ZINC000183387914 866680788 /nfs/dbraw/zinc/68/07/88/866680788.db2.gz ZXWHLQRIMOGUFH-UHFFFAOYSA-N 1 1 389.477 3.508 20 5 GHBDMO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2C1 ZINC000183387914 866680801 /nfs/dbraw/zinc/68/08/01/866680801.db2.gz ZXWHLQRIMOGUFH-UHFFFAOYSA-N 1 1 389.477 3.508 20 5 GHBDMO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440494412 866968212 /nfs/dbraw/zinc/96/82/12/866968212.db2.gz LVVAANGJNQUDJM-HOCLYGCPSA-N 1 1 379.420 3.892 20 5 GHBDMO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440494412 866968227 /nfs/dbraw/zinc/96/82/27/866968227.db2.gz LVVAANGJNQUDJM-HOCLYGCPSA-N 1 1 379.420 3.892 20 5 GHBDMO C[N@@H+](CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000523304128 867037386 /nfs/dbraw/zinc/03/73/86/867037386.db2.gz IWJMROJQYUDJGW-UHFFFAOYSA-N 1 1 388.493 3.713 20 5 GHBDMO Cc1cc(Br)ccc1C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444703864 867090211 /nfs/dbraw/zinc/09/02/11/867090211.db2.gz KIJPGIRNNHPNTK-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO Cc1cc(Br)ccc1C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444703864 867090221 /nfs/dbraw/zinc/09/02/21/867090221.db2.gz KIJPGIRNNHPNTK-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000444703921 867090313 /nfs/dbraw/zinc/09/03/13/867090313.db2.gz KMDIEOOGILJNNG-VIFPVBQESA-N 1 1 384.301 3.979 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000444703921 867090325 /nfs/dbraw/zinc/09/03/25/867090325.db2.gz KMDIEOOGILJNNG-VIFPVBQESA-N 1 1 384.301 3.979 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000444743612 867166107 /nfs/dbraw/zinc/16/61/07/867166107.db2.gz JFJPGOUJADKUJN-CYBMUJFWSA-N 1 1 375.400 3.510 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000444743612 867166113 /nfs/dbraw/zinc/16/61/13/867166113.db2.gz JFJPGOUJADKUJN-CYBMUJFWSA-N 1 1 375.400 3.510 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000440540716 867167658 /nfs/dbraw/zinc/16/76/58/867167658.db2.gz SAHPGBQQHFWLAT-LJQANCHMSA-N 1 1 381.476 3.887 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(OC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000195324015 882073005 /nfs/dbraw/zinc/07/30/05/882073005.db2.gz JVGKCJJFKROIDT-OAHLLOKOSA-N 1 1 375.469 3.654 20 5 GHBDMO CC(C)(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000523486419 867384531 /nfs/dbraw/zinc/38/45/31/867384531.db2.gz NLMXWDSWXGPXAQ-SFHVURJKSA-N 1 1 385.464 3.809 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475700887 882081603 /nfs/dbraw/zinc/08/16/03/882081603.db2.gz XPCNFGFLAMMZHG-LPHOPBHVSA-N 1 1 398.459 3.772 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000523592233 867596728 /nfs/dbraw/zinc/59/67/28/867596728.db2.gz YAFJNOWBYCYUAM-CQSZACIVSA-N 1 1 378.473 3.626 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442686132 867911364 /nfs/dbraw/zinc/91/13/64/867911364.db2.gz USDVKSRZBVDNCG-RHSMWYFYSA-N 1 1 397.500 3.959 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(OC)cc1 ZINC000128311028 868190442 /nfs/dbraw/zinc/19/04/42/868190442.db2.gz BYXKFTLCACCWAT-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO COc1ccc(OCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000743840917 868439674 /nfs/dbraw/zinc/43/96/74/868439674.db2.gz LYJNMNPLMVCARL-UHFFFAOYSA-N 1 1 389.408 3.801 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183895178 868595592 /nfs/dbraw/zinc/59/55/92/868595592.db2.gz GIVLEQXKISSIET-AWEZNQCLSA-N 1 1 385.645 3.834 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825584 868792722 /nfs/dbraw/zinc/79/27/22/868792722.db2.gz PMHGWOBAUUCJNZ-LSDHHAIUSA-N 1 1 394.431 3.943 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825584 868792742 /nfs/dbraw/zinc/79/27/42/868792742.db2.gz PMHGWOBAUUCJNZ-LSDHHAIUSA-N 1 1 394.431 3.943 20 5 GHBDMO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000445951812 869215692 /nfs/dbraw/zinc/21/56/92/869215692.db2.gz FNQUZPMLEOQAKD-NRFANRHFSA-N 1 1 381.476 3.650 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462507249 869573457 /nfs/dbraw/zinc/57/34/57/869573457.db2.gz GHBOKNGHSMQNIV-GOSISDBHSA-N 1 1 384.480 3.737 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539701577 869644870 /nfs/dbraw/zinc/64/48/70/869644870.db2.gz DCFUEBYMBVAXEM-YOEHRIQHSA-N 1 1 394.834 3.669 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539701577 869644876 /nfs/dbraw/zinc/64/48/76/869644876.db2.gz DCFUEBYMBVAXEM-YOEHRIQHSA-N 1 1 394.834 3.669 20 5 GHBDMO CCc1cc(N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000524841868 869664253 /nfs/dbraw/zinc/66/42/53/869664253.db2.gz OMJBLKZFJRTTOZ-DNVCBOLYSA-N 1 1 383.496 3.923 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(F)c1 ZINC000539763636 869735436 /nfs/dbraw/zinc/73/54/36/869735436.db2.gz VEHWPDHZYICCCQ-MRXNPFEDSA-N 1 1 381.411 3.899 20 5 GHBDMO CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000539824513 869831295 /nfs/dbraw/zinc/83/12/95/869831295.db2.gz FNTLHKXRSHAFME-LBPRGKRZSA-N 1 1 381.226 3.838 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3OC(F)(F)F)C2)nc1 ZINC000539836366 869877210 /nfs/dbraw/zinc/87/72/10/869877210.db2.gz ZIVSPTYUSYJXCR-ZDUSSCGKSA-N 1 1 382.342 3.575 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3OC(F)(F)F)C2)nc1 ZINC000539836366 869877220 /nfs/dbraw/zinc/87/72/20/869877220.db2.gz ZIVSPTYUSYJXCR-ZDUSSCGKSA-N 1 1 382.342 3.575 20 5 GHBDMO COCC[N@@H+](Cc1ccc(C)cc1C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000746050927 869973704 /nfs/dbraw/zinc/97/37/04/869973704.db2.gz BQIIXILUGDGSSV-UHFFFAOYSA-N 1 1 395.463 3.576 20 5 GHBDMO COCC[N@H+](Cc1ccc(C)cc1C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000746050927 869973714 /nfs/dbraw/zinc/97/37/14/869973714.db2.gz BQIIXILUGDGSSV-UHFFFAOYSA-N 1 1 395.463 3.576 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000462756862 870035218 /nfs/dbraw/zinc/03/52/18/870035218.db2.gz VYXJDFCOMDYMDJ-FXAWDEMLSA-N 1 1 399.491 3.591 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000462771528 870068574 /nfs/dbraw/zinc/06/85/74/870068574.db2.gz FPJYLTVLWIHTJW-WMQCIHAUSA-N 1 1 395.503 3.943 20 5 GHBDMO CCOc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000441081347 870242340 /nfs/dbraw/zinc/24/23/40/870242340.db2.gz UWZGVVIKDLUQGS-UHFFFAOYSA-N 1 1 383.448 3.689 20 5 GHBDMO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538717345 870405933 /nfs/dbraw/zinc/40/59/33/870405933.db2.gz VMZYLBPUJBXOMU-INIZCTEOSA-N 1 1 391.475 3.836 20 5 GHBDMO COc1ccccc1OCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000509386351 870515693 /nfs/dbraw/zinc/51/56/93/870515693.db2.gz JDFVQEDFLZNOGM-UHFFFAOYSA-N 1 1 382.363 3.716 20 5 GHBDMO COc1ccccc1OCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000509386351 870515702 /nfs/dbraw/zinc/51/57/02/870515702.db2.gz JDFVQEDFLZNOGM-UHFFFAOYSA-N 1 1 382.363 3.716 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cc(Cl)ccc1OC(F)F ZINC001192626656 870574926 /nfs/dbraw/zinc/57/49/26/870574926.db2.gz NDJPOQCMDKYXDR-SECBINFHSA-N 1 1 399.781 3.799 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccccc3OCc3ccccn3)nc2c1 ZINC000446858277 870589470 /nfs/dbraw/zinc/58/94/70/870589470.db2.gz ZEMVANUGQPELHH-UHFFFAOYSA-N 1 1 389.415 3.735 20 5 GHBDMO C[C@@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000540340481 871065512 /nfs/dbraw/zinc/06/55/12/871065512.db2.gz JTKOQOHVKPOGLT-OAHLLOKOSA-N 1 1 382.464 3.671 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000186747138 871258764 /nfs/dbraw/zinc/25/87/64/871258764.db2.gz KQQKHYAQCRCGND-UHFFFAOYSA-N 1 1 399.447 3.562 20 5 GHBDMO CC[N@@H+](C)[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000525729216 871306625 /nfs/dbraw/zinc/30/66/25/871306625.db2.gz POEYHTTZAHJGED-OAQYLSRUSA-N 1 1 397.475 3.658 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000539247707 871550491 /nfs/dbraw/zinc/55/04/91/871550491.db2.gz LNWKQXGUOHODGW-GFCCVEGCSA-N 1 1 379.363 3.794 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169517758 871624512 /nfs/dbraw/zinc/62/45/12/871624512.db2.gz KQVDPFKOSHUTQL-IEBWSBKVSA-N 1 1 383.448 3.774 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000462183489 871785173 /nfs/dbraw/zinc/78/51/73/871785173.db2.gz BXSQUIYPAAKNAP-RHSMWYFYSA-N 1 1 385.489 3.567 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000462233744 871907445 /nfs/dbraw/zinc/90/74/45/871907445.db2.gz RBXJEXDQAAXBNZ-SCLBCKFNSA-N 1 1 388.855 3.890 20 5 GHBDMO CC([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])(c1ccccc1)c1ccccc1 ZINC000182183696 871970953 /nfs/dbraw/zinc/97/09/53/871970953.db2.gz KYXYMKOJBSTYKE-UHFFFAOYSA-N 1 1 375.428 3.747 20 5 GHBDMO COc1ccccc1OCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153108680 882573701 /nfs/dbraw/zinc/57/37/01/882573701.db2.gz VAIMQTFFZAHMJF-UHFFFAOYSA-N 1 1 383.404 3.769 20 5 GHBDMO COc1ccccc1OCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153108680 882573717 /nfs/dbraw/zinc/57/37/17/882573717.db2.gz VAIMQTFFZAHMJF-UHFFFAOYSA-N 1 1 383.404 3.769 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000526063452 872064806 /nfs/dbraw/zinc/06/48/06/872064806.db2.gz LHRMECWXUIIBRH-UWUFYVNFSA-N 1 1 394.519 3.576 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc2c1 ZINC000447685545 872163036 /nfs/dbraw/zinc/16/30/36/872163036.db2.gz MFVTVWIJNVEKRS-ALOPSCKCSA-N 1 1 377.448 3.501 20 5 GHBDMO CN(CCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000552234867 872282362 /nfs/dbraw/zinc/28/23/62/872282362.db2.gz UUGLKNWOMCHBPJ-HXUWFJFHSA-N 1 1 397.454 3.673 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC001195289536 872315079 /nfs/dbraw/zinc/31/50/79/872315079.db2.gz OSMPMCLDQQOVPS-OLZOCXBDSA-N 1 1 382.432 3.685 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC001195289536 872315096 /nfs/dbraw/zinc/31/50/96/872315096.db2.gz OSMPMCLDQQOVPS-OLZOCXBDSA-N 1 1 382.432 3.685 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001195884617 872735991 /nfs/dbraw/zinc/73/59/91/872735991.db2.gz RQFCFIZWBDTZMP-INIZCTEOSA-N 1 1 375.469 3.834 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549408873 872802620 /nfs/dbraw/zinc/80/26/20/872802620.db2.gz PBAPLZSODBMMCJ-UHFFFAOYSA-N 1 1 393.447 3.739 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549408873 872802631 /nfs/dbraw/zinc/80/26/31/872802631.db2.gz PBAPLZSODBMMCJ-UHFFFAOYSA-N 1 1 393.447 3.739 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000541099129 872928534 /nfs/dbraw/zinc/92/85/34/872928534.db2.gz ALJMBABAYKBKDD-CRAIPNDOSA-N 1 1 398.463 3.636 20 5 GHBDMO CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](c2ccccc2)C1 ZINC000183085758 873204936 /nfs/dbraw/zinc/20/49/36/873204936.db2.gz QTCMLTAPFRGGPC-FQEVSTJZSA-N 1 1 392.459 3.781 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000768555199 873382275 /nfs/dbraw/zinc/38/22/75/873382275.db2.gz OHBZNHBJQDKJJO-DOMZBBRYSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000768555199 873382288 /nfs/dbraw/zinc/38/22/88/873382288.db2.gz OHBZNHBJQDKJJO-DOMZBBRYSA-N 1 1 383.876 3.983 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000769304668 873952876 /nfs/dbraw/zinc/95/28/76/873952876.db2.gz AOIYDBMQOYWVOE-SFHVURJKSA-N 1 1 397.475 3.948 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475722663 882790973 /nfs/dbraw/zinc/79/09/73/882790973.db2.gz LEBQESACIDVQGU-IBGZPJMESA-N 1 1 398.459 3.662 20 5 GHBDMO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cc(F)ccc1OC ZINC001197958778 874140810 /nfs/dbraw/zinc/14/08/10/874140810.db2.gz DMROWKLQKYNHJT-INIZCTEOSA-N 1 1 375.400 3.730 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000541780511 874251635 /nfs/dbraw/zinc/25/16/35/874251635.db2.gz MKSXBBBRRDVPNN-MRXNPFEDSA-N 1 1 380.807 3.812 20 5 GHBDMO COc1cc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])cc1F ZINC000464689884 874320094 /nfs/dbraw/zinc/32/00/94/874320094.db2.gz PDBDUIGGZVSPQI-UHFFFAOYSA-N 1 1 382.395 3.908 20 5 GHBDMO COc1cc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])cc1F ZINC000464689884 874320109 /nfs/dbraw/zinc/32/01/09/874320109.db2.gz PDBDUIGGZVSPQI-UHFFFAOYSA-N 1 1 382.395 3.908 20 5 GHBDMO CC(C)(C)Oc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000541932936 874583621 /nfs/dbraw/zinc/58/36/21/874583621.db2.gz HAWYQQMENZBTFR-IBGZPJMESA-N 1 1 399.491 3.951 20 5 GHBDMO COC(=O)C[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccnc1 ZINC001198892061 874703057 /nfs/dbraw/zinc/70/30/57/874703057.db2.gz SZALACZJYWKIFF-QGZVFWFLSA-N 1 1 397.353 3.577 20 5 GHBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000449457594 874883250 /nfs/dbraw/zinc/88/32/50/874883250.db2.gz GGUXOEOKONOTCA-FQEVSTJZSA-N 1 1 398.507 3.848 20 5 GHBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542208662 875183511 /nfs/dbraw/zinc/18/35/11/875183511.db2.gz ICCOTYDQWDPMOK-OAHLLOKOSA-N 1 1 385.247 3.773 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC001199855575 875206462 /nfs/dbraw/zinc/20/64/62/875206462.db2.gz NOYHLBZPRCUYKX-CYBMUJFWSA-N 1 1 376.844 3.890 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465185915 875267463 /nfs/dbraw/zinc/26/74/63/875267463.db2.gz NWQLFBLGPXECEG-OAHLLOKOSA-N 1 1 383.448 3.876 20 5 GHBDMO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1=O ZINC000549908149 875863383 /nfs/dbraw/zinc/86/33/83/875863383.db2.gz XAIOVITYXYNEQS-WBMJQRKESA-N 1 1 377.441 3.637 20 5 GHBDMO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000450243312 876121417 /nfs/dbraw/zinc/12/14/17/876121417.db2.gz LHWMYYNRLGFYRT-FQEVSTJZSA-N 1 1 378.432 3.628 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3C(C)=O)C2)cc(OC)c1 ZINC000804543640 883037102 /nfs/dbraw/zinc/03/71/02/883037102.db2.gz YSQGAVWFINHVSN-INIZCTEOSA-N 1 1 399.447 3.501 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3C(C)=O)C2)cc(OC)c1 ZINC000804543640 883037116 /nfs/dbraw/zinc/03/71/16/883037116.db2.gz YSQGAVWFINHVSN-INIZCTEOSA-N 1 1 399.447 3.501 20 5 GHBDMO C[C@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000450548296 876595113 /nfs/dbraw/zinc/59/51/13/876595113.db2.gz RHEZHZNBOPPDBT-SNVBAGLBSA-N 1 1 394.344 3.564 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000609974810 877235158 /nfs/dbraw/zinc/23/51/58/877235158.db2.gz AGDCXISGRSFZEH-HOTGVXAUSA-N 1 1 383.448 3.765 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000609977932 877239753 /nfs/dbraw/zinc/23/97/53/877239753.db2.gz HYCVIDMCNOSBNF-BEFAXECRSA-N 1 1 385.439 3.859 20 5 GHBDMO O=C(CC[C@H]1CC1(Cl)Cl)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035470 877359727 /nfs/dbraw/zinc/35/97/27/877359727.db2.gz NWJXEMUKSHQVFY-ZFWWWQNUSA-N 1 1 387.263 3.686 20 5 GHBDMO O=C(CC[C@H]1CC1(Cl)Cl)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035470 877359741 /nfs/dbraw/zinc/35/97/41/877359741.db2.gz NWJXEMUKSHQVFY-ZFWWWQNUSA-N 1 1 387.263 3.686 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000492725414 877425270 /nfs/dbraw/zinc/42/52/70/877425270.db2.gz XNJSKARURKAWJS-QGZVFWFLSA-N 1 1 398.463 3.548 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451150223 877459428 /nfs/dbraw/zinc/45/94/28/877459428.db2.gz VVCMCKFROZTKRJ-QJPTWQEYSA-N 1 1 389.374 3.593 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451150223 877459434 /nfs/dbraw/zinc/45/94/34/877459434.db2.gz VVCMCKFROZTKRJ-QJPTWQEYSA-N 1 1 389.374 3.593 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000787649990 877530178 /nfs/dbraw/zinc/53/01/78/877530178.db2.gz HGQRERFABCBOLZ-ZDUSSCGKSA-N 1 1 376.844 3.764 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000787649990 877530191 /nfs/dbraw/zinc/53/01/91/877530191.db2.gz HGQRERFABCBOLZ-ZDUSSCGKSA-N 1 1 376.844 3.764 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000530326075 877552754 /nfs/dbraw/zinc/55/27/54/877552754.db2.gz GUFQPJQVVIQYLJ-NBVRZTHBSA-N 1 1 380.492 3.858 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000530326074 877553272 /nfs/dbraw/zinc/55/32/72/877553272.db2.gz GUFQPJQVVIQYLJ-JXAWBTAJSA-N 1 1 380.492 3.858 20 5 GHBDMO Cn1cc([C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C2(CO)CCC2)cn1 ZINC000852073017 878062086 /nfs/dbraw/zinc/06/20/86/878062086.db2.gz ODXREIKTOBWWLF-INIZCTEOSA-N 1 1 399.278 3.629 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000852076991 878064158 /nfs/dbraw/zinc/06/41/58/878064158.db2.gz MYJAMWKUDOVJKP-GOEBONIOSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000852076991 878064175 /nfs/dbraw/zinc/06/41/75/878064175.db2.gz MYJAMWKUDOVJKP-GOEBONIOSA-N 1 1 379.432 3.565 20 5 GHBDMO C[C@@H]([NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788600032 878197220 /nfs/dbraw/zinc/19/72/20/878197220.db2.gz BGTKKBYJFLXSMH-SJORKVTESA-N 1 1 398.507 3.728 20 5 GHBDMO C[C@H](NC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOCC1)c1ccccc1 ZINC000788600031 878197347 /nfs/dbraw/zinc/19/73/47/878197347.db2.gz BGTKKBYJFLXSMH-IRXDYDNUSA-N 1 1 398.507 3.728 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179987703 878304168 /nfs/dbraw/zinc/30/41/68/878304168.db2.gz DVPCGMWVSIQLLS-UHFFFAOYSA-N 1 1 375.375 3.789 20 5 GHBDMO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776595919 878343824 /nfs/dbraw/zinc/34/38/24/878343824.db2.gz COAQJMYCSCWEKN-SGTLLEGYSA-N 1 1 391.265 3.838 20 5 GHBDMO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776595919 878343833 /nfs/dbraw/zinc/34/38/33/878343833.db2.gz COAQJMYCSCWEKN-SGTLLEGYSA-N 1 1 391.265 3.838 20 5 GHBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000451706768 878370915 /nfs/dbraw/zinc/37/09/15/878370915.db2.gz KOIDCRCBHSPEFT-INIZCTEOSA-N 1 1 380.448 3.690 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000533940385 878559388 /nfs/dbraw/zinc/55/93/88/878559388.db2.gz MBIHYDIRUZQBCO-HNNXBMFYSA-N 1 1 386.496 3.635 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1Br ZINC000852758222 878581125 /nfs/dbraw/zinc/58/11/25/878581125.db2.gz BRHPUKPOFMPKDP-CALCHBBNSA-N 1 1 381.270 3.750 20 5 GHBDMO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460972440 878894553 /nfs/dbraw/zinc/89/45/53/878894553.db2.gz YEQUKLXEABQATA-UWJYYQICSA-N 1 1 381.476 3.821 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452121924 878969568 /nfs/dbraw/zinc/96/95/68/878969568.db2.gz HCLFTSIGDWKWCZ-UWJYYQICSA-N 1 1 397.475 3.677 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000538236343 879099400 /nfs/dbraw/zinc/09/94/00/879099400.db2.gz KHZASVKAUPQVKA-LSDHHAIUSA-N 1 1 379.526 3.946 20 5 GHBDMO NC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 ZINC000130858379 879191063 /nfs/dbraw/zinc/19/10/63/879191063.db2.gz NMJHMVNXIAJPNJ-SFHVURJKSA-N 1 1 385.420 3.779 20 5 GHBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000180807524 879364219 /nfs/dbraw/zinc/36/42/19/879364219.db2.gz HACOPUYCJSSDLM-ZDUSSCGKSA-N 1 1 376.482 3.666 20 5 GHBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@@H]2C1 ZINC000493343002 879389010 /nfs/dbraw/zinc/38/90/10/879389010.db2.gz AZUKXSJWAYIVAY-FOIQADDNSA-N 1 1 397.500 3.912 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000031565077 879702610 /nfs/dbraw/zinc/70/26/10/879702610.db2.gz QPKSTNNYGFVAMD-MRXNPFEDSA-N 1 1 385.489 3.711 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000493973683 879792467 /nfs/dbraw/zinc/79/24/67/879792467.db2.gz YDNIMASBKMOKPI-SFHVURJKSA-N 1 1 381.476 3.897 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790573243 879830619 /nfs/dbraw/zinc/83/06/19/879830619.db2.gz NKSFMAIMWBHKMB-LBPRGKRZSA-N 1 1 385.867 3.557 20 5 GHBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458310 879870815 /nfs/dbraw/zinc/87/08/15/879870815.db2.gz XVRMSFVZFZRQKX-DLBZAZTESA-N 1 1 399.878 3.842 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CCN2CCOC(C)(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542473323 879872683 /nfs/dbraw/zinc/87/26/83/879872683.db2.gz HQNACYXMDZKEGZ-FQEVSTJZSA-N 1 1 387.480 3.540 20 5 GHBDMO C/C(=C/C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000791828952 880736463 /nfs/dbraw/zinc/73/64/63/880736463.db2.gz SBINGJMFXXPKFE-LYDJUCFBSA-N 1 1 379.460 3.636 20 5 GHBDMO CCOc1ccc(C2=CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000509486223 880852958 /nfs/dbraw/zinc/85/29/58/880852958.db2.gz XCXXEWQTQWAWHE-FQEVSTJZSA-N 1 1 398.459 3.523 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000532029723 880912395 /nfs/dbraw/zinc/91/23/95/880912395.db2.gz CHHZWPQIECFZMO-HNNXBMFYSA-N 1 1 385.489 3.818 20 5 GHBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc([N+](=O)[O-])ccc1F ZINC000856168909 881003617 /nfs/dbraw/zinc/00/36/17/881003617.db2.gz DXBYOELSJOZWAF-KRWDZBQOSA-N 1 1 397.450 3.766 20 5 GHBDMO O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000532031347 881005328 /nfs/dbraw/zinc/00/53/28/881005328.db2.gz IJGBQVIMXCPMTM-OAQYLSRUSA-N 1 1 379.460 3.534 20 5 GHBDMO COc1cc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1C ZINC000792526143 881156197 /nfs/dbraw/zinc/15/61/97/881156197.db2.gz YBLMWQPJTTYJNX-PKOBYXMFSA-N 1 1 395.459 3.668 20 5 GHBDMO C[C@]1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000804683952 883266608 /nfs/dbraw/zinc/26/66/08/883266608.db2.gz OQMKHGIAAPVDKL-OAQYLSRUSA-N 1 1 393.447 3.568 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1)[NH+]1CCOCC1 ZINC000609519003 883291462 /nfs/dbraw/zinc/29/14/62/883291462.db2.gz ZJGHVWSDXDBJDE-AWEZNQCLSA-N 1 1 394.431 3.722 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000064521248 883584825 /nfs/dbraw/zinc/58/48/25/883584825.db2.gz QVFIGBGDJAELGZ-AWEZNQCLSA-N 1 1 398.488 3.780 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609784703 883678039 /nfs/dbraw/zinc/67/80/39/883678039.db2.gz RHSWVJDTDJQWCO-WMLDXEAASA-N 1 1 387.867 3.742 20 5 GHBDMO Cc1nc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000760448473 884090409 /nfs/dbraw/zinc/09/04/09/884090409.db2.gz QGPHKJBVHCXHNB-UHFFFAOYSA-N 1 1 396.369 3.519 20 5 GHBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H]2CCC[C@@H]21 ZINC000859953131 884202871 /nfs/dbraw/zinc/20/28/71/884202871.db2.gz KCNFQZQSCPJYAX-MCIONIFRSA-N 1 1 397.269 3.521 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H]2CCC[C@@H]21 ZINC000859953131 884202891 /nfs/dbraw/zinc/20/28/91/884202891.db2.gz KCNFQZQSCPJYAX-MCIONIFRSA-N 1 1 397.269 3.521 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000026231452 884220294 /nfs/dbraw/zinc/22/02/94/884220294.db2.gz MOKZNBQQDCEBNC-OAHLLOKOSA-N 1 1 375.450 3.831 20 5 GHBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(N)=NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000842049036 884649709 /nfs/dbraw/zinc/64/97/09/884649709.db2.gz NPPZEEGHKBJUJZ-OKILXGFUSA-N 1 1 387.440 3.511 20 5 GHBDMO C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272215630 884800003 /nfs/dbraw/zinc/80/00/03/884800003.db2.gz BBSDUKUQADGFCI-ZBFHGGJFSA-N 1 1 387.867 3.889 20 5 GHBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000117864363 885113820 /nfs/dbraw/zinc/11/38/20/885113820.db2.gz ZVRVSVLZPHYOSV-HXUWFJFHSA-N 1 1 392.463 3.714 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000537562678 885422199 /nfs/dbraw/zinc/42/21/99/885422199.db2.gz UTCTXSONRBKCHD-KRWDZBQOSA-N 1 1 393.447 3.638 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000532483684 885810486 /nfs/dbraw/zinc/81/04/86/885810486.db2.gz ZDSCIVMGKHTDRJ-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000532483684 885810490 /nfs/dbraw/zinc/81/04/90/885810490.db2.gz ZDSCIVMGKHTDRJ-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)c1ccccc1 ZINC000532501454 885828604 /nfs/dbraw/zinc/82/86/04/885828604.db2.gz WEOWZXTXNWIHKF-KRWDZBQOSA-N 1 1 385.464 3.941 20 5 GHBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000919682208 886126578 /nfs/dbraw/zinc/12/65/78/886126578.db2.gz WMMPKJNJIKGZCZ-GOSISDBHSA-N 1 1 391.830 3.954 20 5 GHBDMO Cc1ccccc1O[C@@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000556867701 886384857 /nfs/dbraw/zinc/38/48/57/886384857.db2.gz IKKNPHKXOPYZIP-JXFKEZNVSA-N 1 1 380.448 3.783 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CNc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000193507923 886501028 /nfs/dbraw/zinc/50/10/28/886501028.db2.gz MXNVFSIXQAUXAD-HOTGVXAUSA-N 1 1 385.464 3.825 20 5 GHBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000536529736 886795290 /nfs/dbraw/zinc/79/52/90/886795290.db2.gz OUIQVRYYJNSOCV-UHFFFAOYSA-N 1 1 393.447 3.532 20 5 GHBDMO CSc1cccc(-c2nc(-c3ccc(-n4cc[nH+]c4C)nc3)no2)c1[N+](=O)[O-] ZINC000809376450 887349222 /nfs/dbraw/zinc/34/92/22/887349222.db2.gz VOOOLRGVRAWQFY-UHFFFAOYSA-N 1 1 394.416 3.923 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000322464663 887539601 /nfs/dbraw/zinc/53/96/01/887539601.db2.gz MRRAYJLACZCAAM-INMHGKMJSA-N 1 1 383.286 3.873 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000018215564 887615807 /nfs/dbraw/zinc/61/58/07/887615807.db2.gz DMUSABMLZMLZRY-UHFFFAOYSA-N 1 1 375.428 3.706 20 5 GHBDMO Cc1c[n+]([O-])c(NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC001170586271 887741306 /nfs/dbraw/zinc/74/13/06/887741306.db2.gz SCLFGTSGPRXZOO-OAHLLOKOSA-N 1 1 385.251 3.558 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC000866559717 888934371 /nfs/dbraw/zinc/93/43/71/888934371.db2.gz HAAUDXSJEGWRKL-ZDUSSCGKSA-N 1 1 380.370 3.924 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000811479720 889667234 /nfs/dbraw/zinc/66/72/34/889667234.db2.gz JSAOJNGUOOMEOE-OAHLLOKOSA-N 1 1 388.295 3.635 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000533249277 890091406 /nfs/dbraw/zinc/09/14/06/890091406.db2.gz GISFBGPQDXLNIS-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000533297907 890238208 /nfs/dbraw/zinc/23/82/08/890238208.db2.gz MFQCMPYWICVYIB-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795104700 890268797 /nfs/dbraw/zinc/26/87/97/890268797.db2.gz ZISXVIXDUDVDIE-QGPMSJSTSA-N 1 1 375.469 3.987 20 5 GHBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)C1 ZINC000455105528 890310838 /nfs/dbraw/zinc/31/08/38/890310838.db2.gz UCSBIGGGXULWOZ-MRXNPFEDSA-N 1 1 386.374 3.563 20 5 GHBDMO CC1CCC(OC2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000533418033 890504342 /nfs/dbraw/zinc/50/43/42/890504342.db2.gz NHYKBIIBIAMTKN-UHFFFAOYSA-N 1 1 389.496 3.617 20 5 GHBDMO C[C@]12CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001133232716 890507468 /nfs/dbraw/zinc/50/74/68/890507468.db2.gz CTBWLGIOEZDERD-IERDGZPVSA-N 1 1 399.878 3.842 20 5 GHBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812847847 891039339 /nfs/dbraw/zinc/03/93/39/891039339.db2.gz FRBPHLJESWGBFG-KUHUBIRLSA-N 1 1 382.420 3.589 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852511 891044745 /nfs/dbraw/zinc/04/47/45/891044745.db2.gz ZFRMBXCJFLZKHF-JLTOFOAXSA-N 1 1 389.427 3.507 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Cc1ccccc1 ZINC000812928669 891134667 /nfs/dbraw/zinc/13/46/67/891134667.db2.gz CXBALCMAOFBCAU-UHFFFAOYSA-N 1 1 382.247 3.763 20 5 GHBDMO Cc1ccc2c(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc(=O)oc2c1C ZINC000917119632 891303052 /nfs/dbraw/zinc/30/30/52/891303052.db2.gz QGTSXAMYHKSRMD-UHFFFAOYSA-N 1 1 393.443 3.640 20 5 GHBDMO CC(C)Oc1ccccc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170782 891328796 /nfs/dbraw/zinc/32/87/96/891328796.db2.gz LTIYEMLVUPDUFI-SFHVURJKSA-N 1 1 384.432 3.813 20 5 GHBDMO CC(C)Oc1ccccc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170782 891328811 /nfs/dbraw/zinc/32/88/11/891328811.db2.gz LTIYEMLVUPDUFI-SFHVURJKSA-N 1 1 384.432 3.813 20 5 GHBDMO Cc1cc2c(cc1C)[C@@H](C(=O)O[C@H]1CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C1)CO2 ZINC000813174262 891337328 /nfs/dbraw/zinc/33/73/28/891337328.db2.gz VBGHWTUATUDQIA-ICSRJNTNSA-N 1 1 396.443 3.505 20 5 GHBDMO Cc1cc2c(cc1C)[C@@H](C(=O)O[C@H]1CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C1)CO2 ZINC000813174262 891337339 /nfs/dbraw/zinc/33/73/39/891337339.db2.gz VBGHWTUATUDQIA-ICSRJNTNSA-N 1 1 396.443 3.505 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000873008772 891423323 /nfs/dbraw/zinc/42/33/23/891423323.db2.gz CPAOMBBEUKEEFM-UHFFFAOYSA-N 1 1 379.342 3.563 20 5 GHBDMO O=[N+]([O-])c1ccc(NC(=S)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000917595984 892260502 /nfs/dbraw/zinc/26/05/02/892260502.db2.gz KFVXBUOPBOMQBZ-UHFFFAOYSA-N 1 1 376.526 3.880 20 5 GHBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000497733688 892320816 /nfs/dbraw/zinc/32/08/16/892320816.db2.gz IEJVKUGOZPARMF-HUUCEWRRSA-N 1 1 391.512 3.510 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000814175949 892329129 /nfs/dbraw/zinc/32/91/29/892329129.db2.gz KTNKAUIIYCVUEY-VZUWTINFSA-N 1 1 387.480 3.939 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000917969488 892916515 /nfs/dbraw/zinc/91/65/15/892916515.db2.gz SGQAIJDHJAMLBJ-UHFFFAOYSA-N 1 1 395.381 3.858 20 5 GHBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)C1 ZINC000933341620 893009685 /nfs/dbraw/zinc/00/96/85/893009685.db2.gz KXSLLFMOUCKLTR-LBPRGKRZSA-N 1 1 388.390 3.728 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000508777822 893316255 /nfs/dbraw/zinc/31/62/55/893316255.db2.gz JVGUMVXEUHWLAB-SFHVURJKSA-N 1 1 393.365 3.988 20 5 GHBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C2 ZINC000536681642 893492466 /nfs/dbraw/zinc/49/24/66/893492466.db2.gz ORYLXTROGZZFSJ-OAQYLSRUSA-N 1 1 399.422 3.628 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000536713232 893589292 /nfs/dbraw/zinc/58/92/92/893589292.db2.gz LPXHJIIFABSMQW-UHFFFAOYSA-N 1 1 382.416 3.534 20 5 GHBDMO CC[N@H+](CCc1nccs1)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878298892 894175615 /nfs/dbraw/zinc/17/56/15/894175615.db2.gz KHEDEHKKDMNFEW-UHFFFAOYSA-N 1 1 393.856 3.819 20 5 GHBDMO CC[N@@H+](CCc1nccs1)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878298892 894175623 /nfs/dbraw/zinc/17/56/23/894175623.db2.gz KHEDEHKKDMNFEW-UHFFFAOYSA-N 1 1 393.856 3.819 20 5 GHBDMO CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000563840359 894247234 /nfs/dbraw/zinc/24/72/34/894247234.db2.gz GRATYPKSHLNDQM-NXHRZFHOSA-N 1 1 386.452 3.670 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1 ZINC000563993830 894414596 /nfs/dbraw/zinc/41/45/96/894414596.db2.gz FIOMQOPBPJHODD-UHFFFAOYSA-N 1 1 384.480 3.509 20 5 GHBDMO O=C(N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001135370004 894452443 /nfs/dbraw/zinc/45/24/43/894452443.db2.gz YDWJFYMKMLZIBU-SFHVURJKSA-N 1 1 393.365 3.532 20 5 GHBDMO O=C(N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001135370004 894452446 /nfs/dbraw/zinc/45/24/46/894452446.db2.gz YDWJFYMKMLZIBU-SFHVURJKSA-N 1 1 393.365 3.532 20 5 GHBDMO CSC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878647351 894481746 /nfs/dbraw/zinc/48/17/46/894481746.db2.gz LTQACGNNQQVSLG-LLVKDONJSA-N 1 1 382.873 3.873 20 5 GHBDMO CN(C(=O)C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000935506811 894558459 /nfs/dbraw/zinc/55/84/59/894558459.db2.gz SDIZSFVHXGSVBK-UHFFFAOYSA-N 1 1 390.443 3.828 20 5 GHBDMO CN(C(=O)C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000935506811 894558475 /nfs/dbraw/zinc/55/84/75/894558475.db2.gz SDIZSFVHXGSVBK-UHFFFAOYSA-N 1 1 390.443 3.828 20 5 GHBDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C(F)(F)F)C1 ZINC000460061855 894614234 /nfs/dbraw/zinc/61/42/34/894614234.db2.gz MUGSAQBHDHHZRR-GHMZBOCLSA-N 1 1 377.338 3.581 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)o1 ZINC000878810947 894637108 /nfs/dbraw/zinc/63/71/08/894637108.db2.gz GSFAZIHGFFBLDQ-OAHLLOKOSA-N 1 1 384.770 3.919 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)o1 ZINC000878810947 894637118 /nfs/dbraw/zinc/63/71/18/894637118.db2.gz GSFAZIHGFFBLDQ-OAHLLOKOSA-N 1 1 384.770 3.919 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)o1 ZINC000878810944 894637448 /nfs/dbraw/zinc/63/74/48/894637448.db2.gz GSFAZIHGFFBLDQ-HNNXBMFYSA-N 1 1 384.770 3.919 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)o1 ZINC000878810944 894637451 /nfs/dbraw/zinc/63/74/51/894637451.db2.gz GSFAZIHGFFBLDQ-HNNXBMFYSA-N 1 1 384.770 3.919 20 5 GHBDMO C[C@](CO)([NH2+]Cc1ccc(Cl)nc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000879273889 894945423 /nfs/dbraw/zinc/94/54/23/894945423.db2.gz ZQYFFVKXDXFGAD-OAHLLOKOSA-N 1 1 389.761 3.659 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000564498297 895038270 /nfs/dbraw/zinc/03/82/70/895038270.db2.gz QJYXMGFYDSYGMV-ZWKOTPCHSA-N 1 1 380.448 3.581 20 5 GHBDMO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001185517109 913933095 /nfs/dbraw/zinc/93/30/95/913933095.db2.gz CANQJDMAYGUPSW-CYBMUJFWSA-N 1 1 393.846 3.763 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000564672341 895169139 /nfs/dbraw/zinc/16/91/39/895169139.db2.gz QNSHQWFNOLUZFP-UHFFFAOYSA-N 1 1 379.416 3.682 20 5 GHBDMO COc1ccc(C[NH+]2CCC3(CCN3C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000817286189 895437112 /nfs/dbraw/zinc/43/71/12/895437112.db2.gz CBKRGBVXBCTBJG-UHFFFAOYSA-N 1 1 391.468 3.579 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)o1 ZINC000566486432 896336185 /nfs/dbraw/zinc/33/61/85/896336185.db2.gz DJRLUIGRLWUOCE-QGZVFWFLSA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000819323715 896567740 /nfs/dbraw/zinc/56/77/40/896567740.db2.gz PJJKXZMTKFNWPO-SIKLNZKXSA-N 1 1 383.492 3.520 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819323715 896567751 /nfs/dbraw/zinc/56/77/51/896567751.db2.gz PJJKXZMTKFNWPO-SIKLNZKXSA-N 1 1 383.492 3.520 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2c(cc1OC(F)F)OCO2 ZINC000566882300 896660974 /nfs/dbraw/zinc/66/09/74/896660974.db2.gz KICBKZJJGSFSOL-UHFFFAOYSA-N 1 1 380.347 3.599 20 5 GHBDMO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001185818885 914127953 /nfs/dbraw/zinc/12/79/53/914127953.db2.gz FFJOAICZYFGVKO-WQRPDIJASA-N 1 1 399.422 3.777 20 5 GHBDMO C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001185949396 914188820 /nfs/dbraw/zinc/18/88/20/914188820.db2.gz PUEAGTBLPGNMBD-OCCSQVGLSA-N 1 1 397.401 3.670 20 5 GHBDMO CCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000823980010 899340966 /nfs/dbraw/zinc/34/09/66/899340966.db2.gz HJAJTQKZTVTASX-CRAIPNDOSA-N 1 1 397.479 3.866 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCCC[NH+]2CCC2)cc1 ZINC000571103798 899741376 /nfs/dbraw/zinc/74/13/76/899741376.db2.gz JBFFLWMSYOWRTI-UHFFFAOYSA-N 1 1 391.475 3.633 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000824971673 899919715 /nfs/dbraw/zinc/91/97/15/899919715.db2.gz WOSIRMXBYMJZDB-GOEBONIOSA-N 1 1 383.279 3.981 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000843876179 900277888 /nfs/dbraw/zinc/27/78/88/900277888.db2.gz JTUSLRKZZNXSBA-OAQYLSRUSA-N 1 1 385.439 3.684 20 5 GHBDMO CCOc1cc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000136921799 900770369 /nfs/dbraw/zinc/77/03/69/900770369.db2.gz ODYCSTCEFFNDOY-INIZCTEOSA-N 1 1 396.390 3.760 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000844434335 900854027 /nfs/dbraw/zinc/85/40/27/900854027.db2.gz ABVFEWBQMIBIQK-OAHLLOKOSA-N 1 1 378.322 3.826 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000844434335 900854035 /nfs/dbraw/zinc/85/40/35/900854035.db2.gz ABVFEWBQMIBIQK-OAHLLOKOSA-N 1 1 378.322 3.826 20 5 GHBDMO CC(C)(C)OC(=O)NCCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000844442595 900866305 /nfs/dbraw/zinc/86/63/05/900866305.db2.gz MZBFMTMPPQOABN-UHFFFAOYSA-N 1 1 381.448 3.861 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000574845535 901032983 /nfs/dbraw/zinc/03/29/83/901032983.db2.gz HBNZCFUGGPSDRU-HZPDHXFCSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000574845535 901032997 /nfs/dbraw/zinc/03/29/97/901032997.db2.gz HBNZCFUGGPSDRU-HZPDHXFCSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000574846966 901034942 /nfs/dbraw/zinc/03/49/42/901034942.db2.gz MQQPZKQNWOTBFH-HKUYNNGSSA-N 1 1 399.466 3.696 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000070854441 901157144 /nfs/dbraw/zinc/15/71/44/901157144.db2.gz CUVRBCRZBCCNJS-CYBMUJFWSA-N 1 1 389.839 3.894 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000070854731 901157227 /nfs/dbraw/zinc/15/72/27/901157227.db2.gz IECXTUMZFOVYPL-LBPRGKRZSA-N 1 1 391.374 3.519 20 5 GHBDMO CC(=O)N[C@@H](C(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C)C(C)C ZINC001144365956 901911170 /nfs/dbraw/zinc/91/11/70/901911170.db2.gz PMKUGOJSTPWQCW-JOCHJYFZSA-N 1 1 392.503 3.862 20 5 GHBDMO CCOC(=O)CC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000159040061 902477258 /nfs/dbraw/zinc/47/72/58/902477258.db2.gz ZXYLTOCQJAMLIL-UHFFFAOYSA-N 1 1 389.477 3.884 20 5 GHBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)C2)C1 ZINC001186565344 914637446 /nfs/dbraw/zinc/63/74/46/914637446.db2.gz PEYQELAJFTUJIH-QFIPXVFZSA-N 1 1 379.460 3.748 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000846110403 902687247 /nfs/dbraw/zinc/68/72/47/902687247.db2.gz MKLGZZUNWLXCCK-UKRRQHHQSA-N 1 1 383.279 3.981 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@H](C)C[N@@H+](C)Cc3ccccc3)c2c1 ZINC001186620188 914665405 /nfs/dbraw/zinc/66/54/05/914665405.db2.gz JAEVZMLRERJQEV-OAHLLOKOSA-N 1 1 380.448 3.506 20 5 GHBDMO COCc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000131081530 903055026 /nfs/dbraw/zinc/05/50/26/903055026.db2.gz LQZYJSSEURRJEZ-GOSISDBHSA-N 1 1 387.436 3.808 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000264392249 903063187 /nfs/dbraw/zinc/06/31/87/903063187.db2.gz CHUZZMXGKYPJGN-ZDUSSCGKSA-N 1 1 389.839 3.894 20 5 GHBDMO CCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@H]1CC[N@@H+](CC)C1 ZINC001146909852 903636235 /nfs/dbraw/zinc/63/62/35/903636235.db2.gz FFVNGRBUKFNCJT-VIFPVBQESA-N 1 1 378.231 3.597 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000579057512 904320134 /nfs/dbraw/zinc/32/01/34/904320134.db2.gz XLLHAUHMTTVOAU-NVXWUHKLSA-N 1 1 385.439 3.934 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](COCc4ccccc4)C3)n2)cc1 ZINC000173657189 905088896 /nfs/dbraw/zinc/08/88/96/905088896.db2.gz HNBFGUUEHHOTQP-KRWDZBQOSA-N 1 1 394.431 3.684 20 5 GHBDMO COc1ccccc1-c1csc([C@H]2CCC[N@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000773342006 905321338 /nfs/dbraw/zinc/32/13/38/905321338.db2.gz BDYYWAOFQSJUNJ-AWEZNQCLSA-N 1 1 399.476 3.761 20 5 GHBDMO COc1ccccc1-c1csc([C@H]2CCC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000773342006 905321355 /nfs/dbraw/zinc/32/13/55/905321355.db2.gz BDYYWAOFQSJUNJ-AWEZNQCLSA-N 1 1 399.476 3.761 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000174962323 905402288 /nfs/dbraw/zinc/40/22/88/905402288.db2.gz IMAXGPTVFGRBCO-QGZVFWFLSA-N 1 1 392.459 3.670 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000801577015 921147959 /nfs/dbraw/zinc/14/79/59/921147959.db2.gz IGJZWYCWILODJA-SFHVURJKSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000801577015 921147970 /nfs/dbraw/zinc/14/79/70/921147970.db2.gz IGJZWYCWILODJA-SFHVURJKSA-N 1 1 383.876 3.985 20 5 GHBDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903635 905927348 /nfs/dbraw/zinc/92/73/48/905927348.db2.gz HVIVGIPMRJPENT-QGZVFWFLSA-N 1 1 377.485 3.689 20 5 GHBDMO O=C1N(CC2CC2)CC[C@]12CCC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172906035 905930609 /nfs/dbraw/zinc/93/06/09/905930609.db2.gz FOKUORQFWIVMQX-REWPJTCUSA-N 1 1 397.519 3.567 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2c1cnn2CC ZINC001172905854 905931414 /nfs/dbraw/zinc/93/14/14/905931414.db2.gz VIORKGQGLKMQAO-OALUTQOASA-N 1 1 398.507 3.695 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2c1cnn2CC ZINC001172905854 905931425 /nfs/dbraw/zinc/93/14/25/905931425.db2.gz VIORKGQGLKMQAO-OALUTQOASA-N 1 1 398.507 3.695 20 5 GHBDMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)O2)n1 ZINC001172906061 905931989 /nfs/dbraw/zinc/93/19/89/905931989.db2.gz FXHZEBKGHPHZBP-NBYUQASBSA-N 1 1 398.463 3.528 20 5 GHBDMO CC(C)(C)OC(=O)N1CC2(CC[N@H+]2[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172907026 905934292 /nfs/dbraw/zinc/93/42/92/905934292.db2.gz ZNDFWQLNEPRBJI-KRWDZBQOSA-N 1 1 387.480 3.537 20 5 GHBDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1c1ccccc1 ZINC001172913983 905984425 /nfs/dbraw/zinc/98/44/25/905984425.db2.gz WUVJGJXQXCTTLJ-ILWGZMRPSA-N 1 1 394.471 3.731 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cn(CC)nc21 ZINC001172909483 906017092 /nfs/dbraw/zinc/01/70/92/906017092.db2.gz HXBXEUPDSRLHAN-WOJBJXKFSA-N 1 1 398.507 3.695 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cn(CC)nc21 ZINC001172909480 906017355 /nfs/dbraw/zinc/01/73/55/906017355.db2.gz HXBXEUPDSRLHAN-VQTJNVASSA-N 1 1 398.507 3.695 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2cn3ccc(C)cc3n2)c1F ZINC001173192994 906275596 /nfs/dbraw/zinc/27/55/96/906275596.db2.gz NPDFHPOTPIBXAO-AWEZNQCLSA-N 1 1 386.427 3.762 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)Cc2cn3ccc(C)cc3n2)c1F ZINC001173192994 906275614 /nfs/dbraw/zinc/27/56/14/906275614.db2.gz NPDFHPOTPIBXAO-AWEZNQCLSA-N 1 1 386.427 3.762 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)c1F ZINC001173196603 906282057 /nfs/dbraw/zinc/28/20/57/906282057.db2.gz OEKZSWOAMZZSSU-YWZLYKJASA-N 1 1 399.466 3.589 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c1F ZINC001173196603 906282066 /nfs/dbraw/zinc/28/20/66/906282066.db2.gz OEKZSWOAMZZSSU-YWZLYKJASA-N 1 1 399.466 3.589 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001173228577 906313148 /nfs/dbraw/zinc/31/31/48/906313148.db2.gz RLNXHHATKNNULJ-BSLALVQMSA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001173228577 906313161 /nfs/dbraw/zinc/31/31/61/906313161.db2.gz RLNXHHATKNNULJ-BSLALVQMSA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001173228577 906313177 /nfs/dbraw/zinc/31/31/77/906313177.db2.gz RLNXHHATKNNULJ-BSLALVQMSA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001173238354 906348381 /nfs/dbraw/zinc/34/83/81/906348381.db2.gz QKJVFLWKZONHHM-DNVCBOLYSA-N 1 1 385.439 3.559 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000191393043 906943421 /nfs/dbraw/zinc/94/34/21/906943421.db2.gz QCHTXXCNIWHSQN-UHFFFAOYSA-N 1 1 382.464 3.951 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001174604326 907131102 /nfs/dbraw/zinc/13/11/02/907131102.db2.gz PPIULCKIZNWAAI-SFHVURJKSA-N 1 1 391.265 3.841 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001174604326 907131103 /nfs/dbraw/zinc/13/11/03/907131103.db2.gz PPIULCKIZNWAAI-SFHVURJKSA-N 1 1 391.265 3.841 20 5 GHBDMO Cc1ccc([C@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000183002101 907309640 /nfs/dbraw/zinc/30/96/40/907309640.db2.gz GDXFCUXSXOIZEE-HNAYVOBHSA-N 1 1 382.464 3.526 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C)[C@H]2CO)cc1OC ZINC001175004204 907321826 /nfs/dbraw/zinc/32/18/26/907321826.db2.gz OBSWEGLVMGFKMA-IIDMSEBBSA-N 1 1 380.485 3.621 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)nc2c1 ZINC000183169617 907342897 /nfs/dbraw/zinc/34/28/97/907342897.db2.gz NKQWMEIMJSIZRJ-UHFFFAOYSA-N 1 1 395.341 3.788 20 5 GHBDMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)n1 ZINC000183552956 907411125 /nfs/dbraw/zinc/41/11/25/907411125.db2.gz CSIFPWFKPVQPFP-HNNXBMFYSA-N 1 1 380.857 3.693 20 5 GHBDMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000184021386 907502971 /nfs/dbraw/zinc/50/29/71/907502971.db2.gz LZNHWHRDXSAAAN-QWRGUYRKSA-N 1 1 382.873 3.767 20 5 GHBDMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000184021386 907502986 /nfs/dbraw/zinc/50/29/86/907502986.db2.gz LZNHWHRDXSAAAN-QWRGUYRKSA-N 1 1 382.873 3.767 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000192694098 907846427 /nfs/dbraw/zinc/84/64/27/907846427.db2.gz DCNWOFBKKSBTPV-MOPGFXCFSA-N 1 1 383.496 3.611 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)Cc1ccc(C)nc1 ZINC001177250245 908489834 /nfs/dbraw/zinc/48/98/34/908489834.db2.gz OHJJPNNAKNWTON-UHFFFAOYSA-N 1 1 386.455 3.841 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193879886 908779564 /nfs/dbraw/zinc/77/95/64/908779564.db2.gz HSIJGLTTYBRGPO-GOSISDBHSA-N 1 1 382.464 3.855 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000083406471 909042058 /nfs/dbraw/zinc/04/20/58/909042058.db2.gz QYFRCRJIUCKZBB-LJQANCHMSA-N 1 1 378.469 3.542 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@H](COc4ccccc4)C3)c2)cc1 ZINC000779884479 909060640 /nfs/dbraw/zinc/06/06/40/909060640.db2.gz JMMQITKMLZRFFV-KRWDZBQOSA-N 1 1 378.432 3.817 20 5 GHBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](CCO)c1ccccc1 ZINC000266608001 909229808 /nfs/dbraw/zinc/22/98/08/909229808.db2.gz HDMJNYQQOOCKSF-LJQANCHMSA-N 1 1 381.432 3.848 20 5 GHBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000266921189 909338558 /nfs/dbraw/zinc/33/85/58/909338558.db2.gz IISWGJXSTYYTQO-UHFFFAOYSA-N 1 1 387.867 3.985 20 5 GHBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC000801823970 921526423 /nfs/dbraw/zinc/52/64/23/921526423.db2.gz IGWZAERAQJQKTI-UHFFFAOYSA-N 1 1 397.410 3.937 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000246254897 910205220 /nfs/dbraw/zinc/20/52/20/910205220.db2.gz JYYIRVYTJYGBFC-KSEOMHKRSA-N 1 1 384.476 3.997 20 5 GHBDMO C[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@H]1CCC(C)(C)C1 ZINC000795454244 910391937 /nfs/dbraw/zinc/39/19/37/910391937.db2.gz CJMZLLWSCSRBSX-LBPRGKRZSA-N 1 1 396.285 3.781 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000795643253 911669336 /nfs/dbraw/zinc/66/93/36/911669336.db2.gz BLUAPURGPVDCLJ-UHFFFAOYSA-N 1 1 388.405 3.912 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000795643253 911669341 /nfs/dbraw/zinc/66/93/41/911669341.db2.gz BLUAPURGPVDCLJ-UHFFFAOYSA-N 1 1 388.405 3.912 20 5 GHBDMO CC(C)C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+]1CCOCC1 ZINC000642519231 912128846 /nfs/dbraw/zinc/12/88/46/912128846.db2.gz RZCGAVPHCMPOIC-LJQANCHMSA-N 1 1 391.515 3.865 20 5 GHBDMO CCc1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001187063599 914995407 /nfs/dbraw/zinc/99/54/07/914995407.db2.gz KMCJXSCBUPCFTO-HXUWFJFHSA-N 1 1 395.507 3.855 20 5 GHBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000303745520 915085047 /nfs/dbraw/zinc/08/50/47/915085047.db2.gz JVKGXLMEFFRBQM-HXUWFJFHSA-N 1 1 382.464 3.751 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000303745520 915085067 /nfs/dbraw/zinc/08/50/67/915085067.db2.gz JVKGXLMEFFRBQM-HXUWFJFHSA-N 1 1 382.464 3.751 20 5 GHBDMO Cc1ccccc1[C@H](O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000796420251 916857176 /nfs/dbraw/zinc/85/71/76/916857176.db2.gz RRGIKFSKDPMOBW-OAQYLSRUSA-N 1 1 381.432 3.990 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295721573 917445017 /nfs/dbraw/zinc/44/50/17/917445017.db2.gz OBQMSPRPVGRNTL-ZDUSSCGKSA-N 1 1 395.887 3.592 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1(CC)CC ZINC001191821397 918245469 /nfs/dbraw/zinc/24/54/69/918245469.db2.gz MNMWQAJRUULVQA-MSOLQXFVSA-N 1 1 378.469 3.797 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)o1 ZINC001192116017 918420775 /nfs/dbraw/zinc/42/07/75/918420775.db2.gz KSOHRRIBRZCMID-ICSRJNTNSA-N 1 1 394.431 3.733 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3COc3ccccc3)n2)c1 ZINC000112984576 919349926 /nfs/dbraw/zinc/34/99/26/919349926.db2.gz URUASCZTQOYERP-KRWDZBQOSA-N 1 1 380.404 3.688 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3COc3ccccc3)n2)c1 ZINC000112984576 919349939 /nfs/dbraw/zinc/34/99/39/919349939.db2.gz URUASCZTQOYERP-KRWDZBQOSA-N 1 1 380.404 3.688 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000116699083 919514548 /nfs/dbraw/zinc/51/45/48/919514548.db2.gz KYEMLNSDCXERJY-QGZVFWFLSA-N 1 1 382.464 3.937 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccc(Cl)c1 ZINC000117333788 919537976 /nfs/dbraw/zinc/53/79/76/919537976.db2.gz YCUZWGQHHZMQJK-UHFFFAOYSA-N 1 1 375.812 3.678 20 5 GHBDMO O=C(CC[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000800355789 919952805 /nfs/dbraw/zinc/95/28/05/919952805.db2.gz JSMCUSMARPNGMM-TZIWHRDSSA-N 1 1 383.448 3.512 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000365199563 920503563 /nfs/dbraw/zinc/50/35/63/920503563.db2.gz OWFXHPOTUMYKPV-UHFFFAOYSA-N 1 1 375.812 3.635 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368626357 922780718 /nfs/dbraw/zinc/78/07/18/922780718.db2.gz SPMGEOSXMOHSCJ-DZGCQCFKSA-N 1 1 388.855 3.535 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368626357 922780722 /nfs/dbraw/zinc/78/07/22/922780722.db2.gz SPMGEOSXMOHSCJ-DZGCQCFKSA-N 1 1 388.855 3.535 20 5 GHBDMO C[C@H](OC(=O)CC[C@@H]1CCCC[N@H+]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000803856299 923320677 /nfs/dbraw/zinc/32/06/77/923320677.db2.gz PDPZVXALFSRGFW-ZFWWWQNUSA-N 1 1 388.424 3.514 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3coc(-c4cccc(Cl)c4)n3)CC2)n1 ZINC000369698935 923551123 /nfs/dbraw/zinc/55/11/23/923551123.db2.gz YYCKXGRUIJZKTO-UHFFFAOYSA-N 1 1 387.827 3.937 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370035536 923817082 /nfs/dbraw/zinc/81/70/82/923817082.db2.gz FPMSXSKAOMANQJ-HNNXBMFYSA-N 1 1 382.468 3.639 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370035536 923817090 /nfs/dbraw/zinc/81/70/90/923817090.db2.gz FPMSXSKAOMANQJ-HNNXBMFYSA-N 1 1 382.468 3.639 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000372310279 925327409 /nfs/dbraw/zinc/32/74/09/925327409.db2.gz BVDPPSKBBRCJTF-UHFFFAOYSA-N 1 1 385.489 3.785 20 5 GHBDMO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000373906933 926543907 /nfs/dbraw/zinc/54/39/07/926543907.db2.gz DQXTZZRSNHXGFN-UHFFFAOYSA-N 1 1 389.415 3.832 20 5 GHBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC000374253605 926938260 /nfs/dbraw/zinc/93/82/60/926938260.db2.gz AFXYEHXQYDOECB-OXQOHEQNSA-N 1 1 396.447 3.676 20 5 GHBDMO COCCCC[N@H+](Cc1ccccc1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749946181 927363879 /nfs/dbraw/zinc/36/38/79/927363879.db2.gz QGCQBGNJGUULCD-UHFFFAOYSA-N 1 1 383.452 3.534 20 5 GHBDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1CCCC1 ZINC000374798186 927534186 /nfs/dbraw/zinc/53/41/86/927534186.db2.gz JGSLMIALDVVVSX-QGZVFWFLSA-N 1 1 397.479 3.826 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCCC[C@@H]3Cc3ccccc3)n2)cc1 ZINC000750603005 927743525 /nfs/dbraw/zinc/74/35/25/927743525.db2.gz KKVOYANIEYUDED-HXUWFJFHSA-N 1 1 377.448 3.908 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000750617252 927755392 /nfs/dbraw/zinc/75/53/92/927755392.db2.gz UFDPIUBQTMAOJP-IFMALSPDSA-N 1 1 397.475 3.820 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000544189165 928912922 /nfs/dbraw/zinc/91/29/22/928912922.db2.gz LJTAGPNCZYTFGB-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752794133 929025217 /nfs/dbraw/zinc/02/52/17/929025217.db2.gz VPFXDZBEWOSJLI-WMZOPIPTSA-N 1 1 380.448 3.672 20 5 GHBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC000469217287 929702213 /nfs/dbraw/zinc/70/22/13/929702213.db2.gz JQVQVFJSOJTTLS-UHFFFAOYSA-N 1 1 392.458 3.610 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000546110117 929863549 /nfs/dbraw/zinc/86/35/49/929863549.db2.gz ZKSMFPNUMQSPCS-IBGZPJMESA-N 1 1 397.475 3.730 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000546110117 929863553 /nfs/dbraw/zinc/86/35/53/929863553.db2.gz ZKSMFPNUMQSPCS-IBGZPJMESA-N 1 1 397.475 3.730 20 5 GHBDMO CNC(=O)c1ccc(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c([N+](=O)[O-])c1 ZINC000469550751 929983381 /nfs/dbraw/zinc/98/33/81/929983381.db2.gz YQNUDZYOXYVVEV-IBGZPJMESA-N 1 1 384.480 3.523 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC(O)C1 ZINC000546256532 929998560 /nfs/dbraw/zinc/99/85/60/929998560.db2.gz LHZWRMUOFSFBJL-UHFFFAOYSA-N 1 1 381.226 3.572 20 5 GHBDMO COc1ccc(Br)c(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000759648014 930437925 /nfs/dbraw/zinc/43/79/25/930437925.db2.gz DFUBGJYVWMSOFV-KRWDZBQOSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc(Br)c(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000759648014 930437929 /nfs/dbraw/zinc/43/79/29/930437929.db2.gz DFUBGJYVWMSOFV-KRWDZBQOSA-N 1 1 395.253 3.531 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCOc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000780763190 930593208 /nfs/dbraw/zinc/59/32/08/930593208.db2.gz ZWPFTVNRQVTZTL-LJQANCHMSA-N 1 1 384.411 3.616 20 5 GHBDMO COC(=O)/C=C\c1ccc(NCc2ccc(C)[nH+]c2N2CCCC2)c([N+](=O)[O-])c1 ZINC000781386853 930826615 /nfs/dbraw/zinc/82/66/15/930826615.db2.gz BHJUEXNZNOPODG-YFHOEESVSA-N 1 1 396.447 3.697 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000547275711 930873774 /nfs/dbraw/zinc/87/37/74/930873774.db2.gz HVIWNAISXDXSAP-UHFFFAOYSA-N 1 1 387.455 3.780 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781973074 931047196 /nfs/dbraw/zinc/04/71/96/931047196.db2.gz FVCWEXFFURBIAX-UHFFFAOYSA-N 1 1 393.484 3.873 20 5 GHBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782484122 931238765 /nfs/dbraw/zinc/23/87/65/931238765.db2.gz CKVRBQKPPKONBL-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782484122 931238768 /nfs/dbraw/zinc/23/87/68/931238768.db2.gz CKVRBQKPPKONBL-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000783920376 931716856 /nfs/dbraw/zinc/71/68/56/931716856.db2.gz KNQKCLSNGFAFET-HNNXBMFYSA-N 1 1 385.489 3.960 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000784509272 931917892 /nfs/dbraw/zinc/91/78/92/931917892.db2.gz MDQWOAPIZZAZRI-JJRVBVJISA-N 1 1 393.459 3.859 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)Cc3cccc([N+](=O)[O-])c3C)CC[N@H+]2C)cc1 ZINC000797043572 932157498 /nfs/dbraw/zinc/15/74/98/932157498.db2.gz LBSLJPPUPSMJSQ-XMSQKQJNSA-N 1 1 398.459 3.691 20 5 GHBDMO Cc1c(CC(=O)O[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000797252093 932233723 /nfs/dbraw/zinc/23/37/23/932233723.db2.gz UWZVMUIWEBADFK-XLIONFOSSA-N 1 1 382.460 3.900 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000927113534 932417763 /nfs/dbraw/zinc/41/77/63/932417763.db2.gz ZUWAUVIEZFLAJP-LEWJYISDSA-N 1 1 392.459 3.711 20 5 GHBDMO Cc1ccccc1OCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000560530354 933314690 /nfs/dbraw/zinc/31/46/90/933314690.db2.gz YBQZXCJCGFQRMR-FQEVSTJZSA-N 1 1 380.448 3.785 20 5 GHBDMO COC[C@@H]1CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000560568927 933352362 /nfs/dbraw/zinc/35/23/62/933352362.db2.gz OWGKJWBNZZEGSD-FQEVSTJZSA-N 1 1 378.432 3.668 20 5 GHBDMO Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001116405355 933539650 /nfs/dbraw/zinc/53/96/50/933539650.db2.gz ZZLXDQZWEQSXBC-UHFFFAOYSA-N 1 1 385.367 3.778 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000777807339 933561290 /nfs/dbraw/zinc/56/12/90/933561290.db2.gz JRPPJYKKOXGJOA-MJGOQNOKSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000777807339 933561295 /nfs/dbraw/zinc/56/12/95/933561295.db2.gz JRPPJYKKOXGJOA-MJGOQNOKSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000777807339 933561299 /nfs/dbraw/zinc/56/12/99/933561299.db2.gz JRPPJYKKOXGJOA-MJGOQNOKSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001116551201 933629592 /nfs/dbraw/zinc/62/95/92/933629592.db2.gz KMNPIXVJFJOOCG-JQVVWYNYSA-N 1 1 382.460 3.736 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000561085093 933847649 /nfs/dbraw/zinc/84/76/49/933847649.db2.gz QGOZAPASSOGTGH-LJQANCHMSA-N 1 1 379.416 3.757 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001117137844 933862943 /nfs/dbraw/zinc/86/29/43/933862943.db2.gz QYDHPVRHOHBPMA-FQEVSTJZSA-N 1 1 380.448 3.614 20 5 GHBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n1)OC2 ZINC000561932957 934570295 /nfs/dbraw/zinc/57/02/95/934570295.db2.gz CPTOCQMLPPDGNI-UGSOOPFHSA-N 1 1 386.433 3.785 20 5 GHBDMO CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000561959027 934585927 /nfs/dbraw/zinc/58/59/27/934585927.db2.gz WKBZDUOHCVBFJM-SFHVURJKSA-N 1 1 383.448 3.576 20 5 GHBDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000561959027 934585940 /nfs/dbraw/zinc/58/59/40/934585940.db2.gz WKBZDUOHCVBFJM-SFHVURJKSA-N 1 1 383.448 3.576 20 5 GHBDMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001138020666 935931576 /nfs/dbraw/zinc/93/15/76/935931576.db2.gz MRPTYXYHKUOSFZ-IBGZPJMESA-N 1 1 393.447 3.773 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001138020666 935931579 /nfs/dbraw/zinc/93/15/79/935931579.db2.gz MRPTYXYHKUOSFZ-IBGZPJMESA-N 1 1 393.447 3.773 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001626012213 1014772314 /nfs/dbraw/zinc/77/23/14/1014772314.db2.gz YLHGEYZSKRUKIW-GOEBONIOSA-N 1 1 397.903 3.786 20 5 GHBDMO Cc1cc[nH+]c(N2CCC(Oc3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC001227220391 1032327446 /nfs/dbraw/zinc/32/74/46/1032327446.db2.gz KJXQDOUIFASONT-UHFFFAOYSA-N 1 1 380.404 3.600 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC001227466569 1032430911 /nfs/dbraw/zinc/43/09/11/1032430911.db2.gz NQHSSHKUZGRSCA-CQSZACIVSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC001227466569 1032430918 /nfs/dbraw/zinc/43/09/18/1032430918.db2.gz NQHSSHKUZGRSCA-CQSZACIVSA-N 1 1 377.784 3.810 20 5 GHBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001155147739 1032435623 /nfs/dbraw/zinc/43/56/23/1032435623.db2.gz FBKWBESWQGDIEK-RBUKOAKNSA-N 1 1 394.475 3.516 20 5 GHBDMO COC(=O)c1cccc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001227896575 1032676804 /nfs/dbraw/zinc/67/68/04/1032676804.db2.gz JAMGFXXKQNVJFD-HNNXBMFYSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1cccc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001227896575 1032676809 /nfs/dbraw/zinc/67/68/09/1032676809.db2.gz JAMGFXXKQNVJFD-HNNXBMFYSA-N 1 1 388.395 3.564 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000561214708 1017809793 /nfs/dbraw/zinc/80/97/93/1017809793.db2.gz ZMKYFRSQZMUHND-UHFFFAOYSA-N 1 1 394.431 3.531 20 5 GHBDMO O=C(NC1CC[NH+](CCF)CC1)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155997826 1032830558 /nfs/dbraw/zinc/83/05/58/1032830558.db2.gz BEFVSQNJWGUUTM-UHFFFAOYSA-N 1 1 384.480 3.561 20 5 GHBDMO CC(C)(C)OC(=O)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000571921563 1019727107 /nfs/dbraw/zinc/72/71/07/1019727107.db2.gz YXHNXEAUUFZODK-SOFGYWHQSA-N 1 1 390.480 3.821 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000802658300 1021516209 /nfs/dbraw/zinc/51/62/09/1021516209.db2.gz SMSYXDRAXXPXAV-FQEVSTJZSA-N 1 1 377.485 3.716 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000754361281 1022640468 /nfs/dbraw/zinc/64/04/68/1022640468.db2.gz RONJLENIJYDQNG-UEBLJOKOSA-N 1 1 379.460 3.731 20 5 GHBDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000836259646 1022786416 /nfs/dbraw/zinc/78/64/16/1022786416.db2.gz JEWGGOAYPHIEQK-HKUYNNGSSA-N 1 1 396.491 3.867 20 5 GHBDMO C[C@@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228759206 1033082406 /nfs/dbraw/zinc/08/24/06/1033082406.db2.gz XNRFNEZZXPQBRR-KUHUBIRLSA-N 1 1 376.840 3.917 20 5 GHBDMO C[C@@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228759206 1033082415 /nfs/dbraw/zinc/08/24/15/1033082415.db2.gz XNRFNEZZXPQBRR-KUHUBIRLSA-N 1 1 376.840 3.917 20 5 GHBDMO C[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755885320 1023421716 /nfs/dbraw/zinc/42/17/16/1023421716.db2.gz ZYESFJZYXPQZGU-PXNSSMCTSA-N 1 1 382.460 3.981 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000755932428 1023442772 /nfs/dbraw/zinc/44/27/72/1023442772.db2.gz FVNCTYHTHBWQIX-SFHVURJKSA-N 1 1 392.463 3.541 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000755932428 1023442782 /nfs/dbraw/zinc/44/27/82/1023442782.db2.gz FVNCTYHTHBWQIX-SFHVURJKSA-N 1 1 392.463 3.541 20 5 GHBDMO CC[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001138122018 1024161447 /nfs/dbraw/zinc/16/14/47/1024161447.db2.gz RRTPQAPGHIGOQR-FQEVSTJZSA-N 1 1 399.466 3.790 20 5 GHBDMO C[C@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000838627956 1025248226 /nfs/dbraw/zinc/24/82/26/1025248226.db2.gz VPXOFSNNFUNXEZ-JXFKEZNVSA-N 1 1 382.464 3.572 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000838895765 1025424779 /nfs/dbraw/zinc/42/47/79/1025424779.db2.gz RGFSVPPCNHZUQS-NSHDSACASA-N 1 1 398.212 3.929 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839136961 1025630968 /nfs/dbraw/zinc/63/09/68/1025630968.db2.gz VLRQDZHXZYVHKB-DOTOQJQBSA-N 1 1 393.484 3.580 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000839252192 1025755951 /nfs/dbraw/zinc/75/59/51/1025755951.db2.gz HGUOQAQEDBSNST-UHFFFAOYSA-N 1 1 384.358 3.974 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1Br ZINC000839545201 1026039742 /nfs/dbraw/zinc/03/97/42/1026039742.db2.gz HPRGUUYXQCIIKF-QGZVFWFLSA-N 1 1 395.228 3.590 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1Br ZINC000839545201 1026039762 /nfs/dbraw/zinc/03/97/62/1026039762.db2.gz HPRGUUYXQCIIKF-QGZVFWFLSA-N 1 1 395.228 3.590 20 5 GHBDMO COCC[N@@H+](C)[C@H](CNc1ncc(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001163386022 1026172726 /nfs/dbraw/zinc/17/27/26/1026172726.db2.gz SKEUGBHMCKZKCD-QGZVFWFLSA-N 1 1 378.860 3.683 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001139361224 1026234421 /nfs/dbraw/zinc/23/44/21/1026234421.db2.gz HZZDIPLHUZNDJN-GOSISDBHSA-N 1 1 386.496 3.696 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)c3ncc(Cl)cc3[N+](=O)[O-])C2)s1 ZINC001163643541 1026264465 /nfs/dbraw/zinc/26/44/65/1026264465.db2.gz UBKPPIWUYQQECX-ZDUSSCGKSA-N 1 1 380.901 3.971 20 5 GHBDMO Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)[nH+]1 ZINC001163668614 1026274386 /nfs/dbraw/zinc/27/43/86/1026274386.db2.gz XPGKIQIFNSWNRK-UHFFFAOYSA-N 1 1 393.422 3.826 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001163681247 1026281843 /nfs/dbraw/zinc/28/18/43/1026281843.db2.gz MSTIFDMHJVEILU-IBGZPJMESA-N 1 1 376.460 3.896 20 5 GHBDMO C[N@H+]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001163996816 1026380836 /nfs/dbraw/zinc/38/08/36/1026380836.db2.gz SHCSGTLCWOOBFW-CYBMUJFWSA-N 1 1 396.360 3.810 20 5 GHBDMO CC(C)Oc1nc(N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001164084460 1026406553 /nfs/dbraw/zinc/40/65/53/1026406553.db2.gz GOPMGGGNUNKQAI-GCJKJVERSA-N 1 1 396.491 3.735 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164498283 1026534313 /nfs/dbraw/zinc/53/43/13/1026534313.db2.gz DXJRUSMPWIHZJG-IPMKNSEASA-N 1 1 395.459 3.704 20 5 GHBDMO O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001461453982 1069556749 /nfs/dbraw/zinc/55/67/49/1069556749.db2.gz SSGYEGGJUVXXND-GOSISDBHSA-N 1 1 390.443 3.994 20 5 GHBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842830119 1029616386 /nfs/dbraw/zinc/61/63/86/1029616386.db2.gz KTWPBJDCONOLHX-HNNXBMFYSA-N 1 1 396.509 3.611 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001223450557 1030579426 /nfs/dbraw/zinc/57/94/26/1030579426.db2.gz RHGIAKQTIRIRCL-KKSFZXQISA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1cccc(CO[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001223665527 1030695752 /nfs/dbraw/zinc/69/57/52/1030695752.db2.gz SZFMPTYXDKNQSH-JXFKEZNVSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1cc(CO[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001223688373 1030705668 /nfs/dbraw/zinc/70/56/68/1030705668.db2.gz KWJDVVBDNJBHKE-IERDGZPVSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1cc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001223692250 1030707058 /nfs/dbraw/zinc/70/70/58/1030707058.db2.gz ZZOJDEWOYCCLNE-HRAATJIYSA-N 1 1 398.459 3.809 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cc2c[nH]ccc-2n1 ZINC001151976162 1031065962 /nfs/dbraw/zinc/06/59/62/1031065962.db2.gz CZMNCYULODIZNO-UHFFFAOYSA-N 1 1 397.438 3.820 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001225504983 1031443141 /nfs/dbraw/zinc/44/31/41/1031443141.db2.gz FJJMFPLSWOYNKJ-GXTWGEPZSA-N 1 1 392.253 3.967 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229400235 1033457763 /nfs/dbraw/zinc/45/77/63/1033457763.db2.gz SPZFTTSBXPDMGH-FOIQADDNSA-N 1 1 378.432 3.827 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229400973 1033457844 /nfs/dbraw/zinc/45/78/44/1033457844.db2.gz BQWGFZZXACXYBG-HOCLYGCPSA-N 1 1 379.420 3.537 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229402498 1033460128 /nfs/dbraw/zinc/46/01/28/1033460128.db2.gz KYEOLZKOYBZZJS-FOIQADDNSA-N 1 1 378.432 3.827 20 5 GHBDMO C[C@H](CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC001229793050 1033720288 /nfs/dbraw/zinc/72/02/88/1033720288.db2.gz JUHGHJHCALWYFH-SJORKVTESA-N 1 1 384.480 3.866 20 5 GHBDMO CCO[C@H](C)COc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229808665 1033731162 /nfs/dbraw/zinc/73/11/62/1033731162.db2.gz VJAQMSCKIBQYRE-OAHLLOKOSA-N 1 1 381.476 3.692 20 5 GHBDMO C[C@H]1CC[C@@H](COc2nc3ccc(NC(=O)C[NH+](C)C)cc3c3ccccc32)O1 ZINC001229807142 1033731946 /nfs/dbraw/zinc/73/19/46/1033731946.db2.gz FWCAFQFLORUXKC-RDJZCZTQSA-N 1 1 393.487 3.834 20 5 GHBDMO COc1c(C)cc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC001229868322 1033762097 /nfs/dbraw/zinc/76/20/97/1033762097.db2.gz IXNLYFJZFGEWIO-WDNDVIMCSA-N 1 1 379.413 3.603 20 5 GHBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001229899602 1033782730 /nfs/dbraw/zinc/78/27/30/1033782730.db2.gz NAHXREFKSLYRCZ-CVEARBPZSA-N 1 1 399.447 3.689 20 5 GHBDMO Cc1cc(O[C@H]2COCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1Cl ZINC001229974304 1033824707 /nfs/dbraw/zinc/82/47/07/1033824707.db2.gz DOVIFBDOFJKHMH-MRXNPFEDSA-N 1 1 376.840 3.836 20 5 GHBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3nccc4c5ccccc5ccc43)C[C@H]1[N@H+]2C ZINC001230203174 1033943102 /nfs/dbraw/zinc/94/31/02/1033943102.db2.gz JFXOAWQTFRXPTL-PEYKTXOXSA-N 1 1 376.456 3.934 20 5 GHBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(Br)cc3c(c1[N+](=O)[O-])CCC3)C2 ZINC001230494359 1034090901 /nfs/dbraw/zinc/09/09/01/1034090901.db2.gz RFYQDNLVRDXUPW-CLLJXQQHSA-N 1 1 381.270 3.850 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c21 ZINC001231055743 1034368590 /nfs/dbraw/zinc/36/85/90/1034368590.db2.gz MTAIRSIBKATEOW-SQGPQFPESA-N 1 1 390.443 3.827 20 5 GHBDMO O=[N+]([O-])c1cc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)ccn1 ZINC001213025723 1035038339 /nfs/dbraw/zinc/03/83/39/1035038339.db2.gz PBSIXOBQWUJYEH-MRXNPFEDSA-N 1 1 392.350 3.578 20 5 GHBDMO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232219432 1035168562 /nfs/dbraw/zinc/16/85/62/1035168562.db2.gz UAXBEAVDQSYLEY-SBUREZEXSA-N 1 1 390.487 3.882 20 5 GHBDMO COc1cccc(N2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)n1 ZINC001232224470 1035170942 /nfs/dbraw/zinc/17/09/42/1035170942.db2.gz ITFFSLWRZAFHTK-UHFFFAOYSA-N 1 1 385.471 3.509 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001248414989 1035834277 /nfs/dbraw/zinc/83/42/77/1035834277.db2.gz VLXFDLNMCRZRBF-GOSISDBHSA-N 1 1 396.491 3.882 20 5 GHBDMO FC1(F)C[NH2+]CC[C@H]1Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248901081 1036228914 /nfs/dbraw/zinc/22/89/14/1036228914.db2.gz HTWWOPDTCZIALR-AWEZNQCLSA-N 1 1 381.386 3.620 20 5 GHBDMO COc1ccc(C2([NH2+][C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CCNCC2)cc1 ZINC001246379395 1037337508 /nfs/dbraw/zinc/33/75/08/1037337508.db2.gz DEYCONHNGIVNBG-HXUWFJFHSA-N 1 1 395.503 3.719 20 5 GHBDMO COc1ccc(C[C@H](C)N2CCCC[C@]3(CCCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001246601012 1037498993 /nfs/dbraw/zinc/49/89/93/1037498993.db2.gz FTLVCFPUGFIGSS-UWJYYQICSA-N 1 1 375.513 3.780 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001233578442 1039455032 /nfs/dbraw/zinc/45/50/32/1039455032.db2.gz SIAYNRXREOBTPP-AWEZNQCLSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001233578442 1039455038 /nfs/dbraw/zinc/45/50/38/1039455038.db2.gz SIAYNRXREOBTPP-AWEZNQCLSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1[N+](=O)[O-] ZINC001233707333 1039554691 /nfs/dbraw/zinc/55/46/91/1039554691.db2.gz ISBBJQSDEBNEMO-WRWLIDTKSA-N 1 1 383.404 3.792 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001253435071 1039635887 /nfs/dbraw/zinc/63/58/87/1039635887.db2.gz SSHCLGLUFBHXOA-HNNXBMFYSA-N 1 1 393.447 3.598 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001253435071 1039635893 /nfs/dbraw/zinc/63/58/93/1039635893.db2.gz SSHCLGLUFBHXOA-HNNXBMFYSA-N 1 1 393.447 3.598 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001233985179 1039743226 /nfs/dbraw/zinc/74/32/26/1039743226.db2.gz VOEPWQKHGFNQKT-NJDAHSKKSA-N 1 1 396.487 3.804 20 5 GHBDMO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480288 1040266146 /nfs/dbraw/zinc/26/61/46/1040266146.db2.gz CZSNRFVHMABDAT-MRXNPFEDSA-N 1 1 389.496 3.617 20 5 GHBDMO COC(=O)[C@@](C)([NH3+])Cc1cn([C@H](C)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC001254540370 1040310994 /nfs/dbraw/zinc/31/09/94/1040310994.db2.gz SLMGDJHFNCFGRL-QRQCRPRQSA-N 1 1 395.459 3.786 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001254551755 1040318638 /nfs/dbraw/zinc/31/86/38/1040318638.db2.gz FGJDVDZXAUTHNP-DOTOQJQBSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001254554161 1040322871 /nfs/dbraw/zinc/32/28/71/1040322871.db2.gz AAETWWAAPPENEO-INIZCTEOSA-N 1 1 384.480 3.555 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001254569743 1040346765 /nfs/dbraw/zinc/34/67/65/1040346765.db2.gz KMNLYIUMOIZEPC-LAVFITLUSA-N 1 1 389.496 3.761 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCc3ncnc(-c4ccsc4)c3CC1)C2 ZINC001254596054 1040368795 /nfs/dbraw/zinc/36/87/95/1040368795.db2.gz MLVJAJXXQIIBEK-SFHVURJKSA-N 1 1 392.484 3.681 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254595762 1040369924 /nfs/dbraw/zinc/36/99/24/1040369924.db2.gz ZMCAGPMPSWOCIK-GOSISDBHSA-N 1 1 387.480 3.537 20 5 GHBDMO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603619 1040374067 /nfs/dbraw/zinc/37/40/67/1040374067.db2.gz OTXRIXNOKRNWHX-PFTCBEMASA-N 1 1 395.507 3.953 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604367 1040375362 /nfs/dbraw/zinc/37/53/62/1040375362.db2.gz WIJLVJODGZYBOZ-GOTSBHOMSA-N 1 1 377.488 3.660 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604367 1040375365 /nfs/dbraw/zinc/37/53/65/1040375365.db2.gz WIJLVJODGZYBOZ-GOTSBHOMSA-N 1 1 377.488 3.660 20 5 GHBDMO O=C(c1ccc(Cl)cc1)N1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606896 1040378615 /nfs/dbraw/zinc/37/86/15/1040378615.db2.gz JFPJCMBBDQBYNE-HXUWFJFHSA-N 1 1 399.878 3.564 20 5 GHBDMO CCOC(=O)CCC[N@@H+](Cc1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611053 1040384060 /nfs/dbraw/zinc/38/40/60/1040384060.db2.gz TWJGKLTVUNGXDH-NRFANRHFSA-N 1 1 382.460 3.908 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1Cc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255436706 1041033964 /nfs/dbraw/zinc/03/39/64/1041033964.db2.gz IQZLYSKCHLIRFK-MRXNPFEDSA-N 1 1 394.431 3.567 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c1F ZINC001462640125 1070434837 /nfs/dbraw/zinc/43/48/37/1070434837.db2.gz FMUQCQNESKPFRI-VGSWGCGISA-N 1 1 397.450 3.636 20 5 GHBDMO CC[C@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001296188337 1045276117 /nfs/dbraw/zinc/27/61/17/1045276117.db2.gz HFBCRWYKCQGGDU-XLIONFOSSA-N 1 1 381.476 3.821 20 5 GHBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001303273065 1047334459 /nfs/dbraw/zinc/33/44/59/1047334459.db2.gz PXECTPUSJDKMHZ-UXHICEINSA-N 1 1 394.475 3.516 20 5 GHBDMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000611372765 1047504753 /nfs/dbraw/zinc/50/47/53/1047504753.db2.gz LUIYOYWUIAXRLB-MJGOQNOKSA-N 1 1 396.491 3.867 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C(F)F)c1 ZINC000702628443 1047706964 /nfs/dbraw/zinc/70/69/64/1047706964.db2.gz LWHJQOVRTVGWFK-IBGZPJMESA-N 1 1 377.391 3.581 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001266226419 1047719385 /nfs/dbraw/zinc/71/93/85/1047719385.db2.gz SFRFKSSBSQGRRK-IAGOWNOFSA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001266226419 1047719386 /nfs/dbraw/zinc/71/93/86/1047719386.db2.gz SFRFKSSBSQGRRK-IAGOWNOFSA-N 1 1 399.516 3.808 20 5 GHBDMO CC(C)[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001279363234 1047780409 /nfs/dbraw/zinc/78/04/09/1047780409.db2.gz AGFSCRFXFUOGSP-FLSMSTFGSA-N 1 1 393.487 3.977 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001280057377 1048067208 /nfs/dbraw/zinc/06/72/08/1048067208.db2.gz NADMWGORYNVJBF-OAQYLSRUSA-N 1 1 381.476 3.506 20 5 GHBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001289203816 1049365222 /nfs/dbraw/zinc/36/52/22/1049365222.db2.gz HLYSQSLLHSINBA-MRXNPFEDSA-N 1 1 388.493 3.521 20 5 GHBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001289203816 1049365236 /nfs/dbraw/zinc/36/52/36/1049365236.db2.gz HLYSQSLLHSINBA-MRXNPFEDSA-N 1 1 388.493 3.521 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000753095820 1049454513 /nfs/dbraw/zinc/45/45/13/1049454513.db2.gz WHBDJIARPGPBRV-GOSISDBHSA-N 1 1 385.439 3.827 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000753095822 1049454780 /nfs/dbraw/zinc/45/47/80/1049454780.db2.gz WHBDJIARPGPBRV-SFHVURJKSA-N 1 1 385.439 3.827 20 5 GHBDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001307853291 1049635785 /nfs/dbraw/zinc/63/57/85/1049635785.db2.gz LSAUVXOLDHFNDR-NQIIRXRSSA-N 1 1 388.439 3.571 20 5 GHBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001307857041 1049638533 /nfs/dbraw/zinc/63/85/33/1049638533.db2.gz AUPCHBNKCBQBQD-BFYDXBDKSA-N 1 1 377.485 3.966 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F ZINC001307914140 1049691601 /nfs/dbraw/zinc/69/16/01/1049691601.db2.gz JQIJWAPKESMWGS-SFHVURJKSA-N 1 1 387.411 3.908 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cc(C)cc(C)c2C1 ZINC001308174328 1049900985 /nfs/dbraw/zinc/90/09/85/1049900985.db2.gz YXEIUPMUPWQZQY-UHFFFAOYSA-N 1 1 383.448 3.607 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC001308344636 1049953960 /nfs/dbraw/zinc/95/39/60/1049953960.db2.gz RWKQMIYXKDXFCG-UHFFFAOYSA-N 1 1 386.839 3.791 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001308571615 1050014911 /nfs/dbraw/zinc/01/49/11/1050014911.db2.gz WGAVCJKSORTMQD-IYBDPMFKSA-N 1 1 375.469 3.863 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001308772864 1050089169 /nfs/dbraw/zinc/08/91/69/1050089169.db2.gz YZKXOFGZUPNYLJ-NTEUORMPSA-N 1 1 375.469 3.986 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001334846228 1051990317 /nfs/dbraw/zinc/99/03/17/1051990317.db2.gz YJOXTJYOBOJQTA-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001311429594 1052134479 /nfs/dbraw/zinc/13/44/79/1052134479.db2.gz BKPBBVHVCTVTAY-IRXDYDNUSA-N 1 1 376.501 3.652 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001312079106 1052560146 /nfs/dbraw/zinc/56/01/46/1052560146.db2.gz OKZLSQYYCITGBH-FQEVSTJZSA-N 1 1 384.480 3.551 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001342930694 1053441957 /nfs/dbraw/zinc/44/19/57/1053441957.db2.gz DKQWBIKALDCBMJ-UHFFFAOYSA-N 1 1 384.318 3.910 20 5 GHBDMO O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1csc([N+](=O)[O-])c1 ZINC001318212071 1054502541 /nfs/dbraw/zinc/50/25/41/1054502541.db2.gz VFHJZKWQZPAAHV-UHFFFAOYSA-N 1 1 385.449 3.771 20 5 GHBDMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1csc([N+](=O)[O-])c1 ZINC001318212071 1054502557 /nfs/dbraw/zinc/50/25/57/1054502557.db2.gz VFHJZKWQZPAAHV-UHFFFAOYSA-N 1 1 385.449 3.771 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318779575 1054868290 /nfs/dbraw/zinc/86/82/90/1054868290.db2.gz VVVQGNMRWXZJEI-UHFFFAOYSA-N 1 1 382.464 3.660 20 5 GHBDMO COC(=O)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC001319703154 1055410273 /nfs/dbraw/zinc/41/02/73/1055410273.db2.gz YOUOHXJCHGMNKI-UHFFFAOYSA-N 1 1 393.827 3.782 20 5 GHBDMO COC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC001319703154 1055410283 /nfs/dbraw/zinc/41/02/83/1055410283.db2.gz YOUOHXJCHGMNKI-UHFFFAOYSA-N 1 1 393.827 3.782 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@@H+]2CCSC[C@@H]2CCO)o1 ZINC001319729306 1055428933 /nfs/dbraw/zinc/42/89/33/1055428933.db2.gz NWRFOTRRGIVIFC-ZDUSSCGKSA-N 1 1 382.869 3.808 20 5 GHBDMO COC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC001319815025 1055486274 /nfs/dbraw/zinc/48/62/74/1055486274.db2.gz NIOZFDDHNVQPBZ-UHFFFAOYSA-N 1 1 375.450 3.597 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCc3ccc(OC(F)(F)F)cc3)C2)nc1 ZINC001320042458 1055616381 /nfs/dbraw/zinc/61/63/81/1055616381.db2.gz UQFXMPJYBNYJTC-CQSZACIVSA-N 1 1 396.369 3.617 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCCC3)c2)c(Cl)c1 ZINC001320804175 1055968181 /nfs/dbraw/zinc/96/81/81/1055968181.db2.gz ZQMPBEMQSKORNF-UHFFFAOYSA-N 1 1 395.868 3.645 20 5 GHBDMO Cc1cccc(NC[C@H]2CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001321941793 1056451339 /nfs/dbraw/zinc/45/13/39/1056451339.db2.gz OQXYIUMUJOELIG-LJQANCHMSA-N 1 1 397.479 3.593 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC001354920015 1056983636 /nfs/dbraw/zinc/98/36/36/1056983636.db2.gz FETKLMLNIFMBMA-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO C[C@H](Cc1cccc(F)c1)[N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848487945 1057122781 /nfs/dbraw/zinc/12/27/81/1057122781.db2.gz BIUDOHRLCRVDBF-FOIQADDNSA-N 1 1 385.439 3.570 20 5 GHBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848487945 1057122789 /nfs/dbraw/zinc/12/27/89/1057122789.db2.gz BIUDOHRLCRVDBF-FOIQADDNSA-N 1 1 385.439 3.570 20 5 GHBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848544305 1057164663 /nfs/dbraw/zinc/16/46/63/1057164663.db2.gz LOKHZQGGQLRFKY-FQEVSTJZSA-N 1 1 381.476 3.823 20 5 GHBDMO Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC001325338660 1057314911 /nfs/dbraw/zinc/31/49/11/1057314911.db2.gz JCZBJTMBABOLJG-ZBFHGGJFSA-N 1 1 386.427 3.644 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)c3c(F)c(C)cc([N+](=O)[O-])c3F)CC[NH2+]2)cc1 ZINC001448446696 1060187578 /nfs/dbraw/zinc/18/75/78/1060187578.db2.gz CXYVYHYZIFJXNH-OAHLLOKOSA-N 1 1 389.402 3.531 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)Nc3nccc4c3cccc4[N+](=O)[O-])CC2)[nH+]c1 ZINC001457893440 1063425923 /nfs/dbraw/zinc/42/59/23/1063425923.db2.gz JYVULZWSMSBGLE-UHFFFAOYSA-N 1 1 391.431 3.702 20 5 GHBDMO Cc1ccc(COC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC001436404403 1063432618 /nfs/dbraw/zinc/43/26/18/1063432618.db2.gz LBZMLPYLJUFNSA-IAGOWNOFSA-N 1 1 398.459 3.869 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001458551562 1063885895 /nfs/dbraw/zinc/88/58/95/1063885895.db2.gz ZKCCXJUPCVSBRS-LJQANCHMSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCO[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001458551562 1063885906 /nfs/dbraw/zinc/88/59/06/1063885906.db2.gz ZKCCXJUPCVSBRS-LJQANCHMSA-N 1 1 392.459 3.764 20 5 GHBDMO CC[N@@H+]1[C@H](C)CN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC001458555755 1063889750 /nfs/dbraw/zinc/88/97/50/1063889750.db2.gz IRKHZOSMIRLMDC-TXEJJXNPSA-N 1 1 393.285 3.824 20 5 GHBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001437770880 1063929190 /nfs/dbraw/zinc/92/91/90/1063929190.db2.gz QGBVTHBJFVTRMY-BBRMVZONSA-N 1 1 395.887 3.539 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001459646284 1064153100 /nfs/dbraw/zinc/15/31/00/1064153100.db2.gz CKBGIVHJJFYYCK-QGZVFWFLSA-N 1 1 382.464 3.572 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001459646284 1064153103 /nfs/dbraw/zinc/15/31/03/1064153103.db2.gz CKBGIVHJJFYYCK-QGZVFWFLSA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@H]([NH2+][C@H](c1ccc(F)cc1F)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001459839020 1064238117 /nfs/dbraw/zinc/23/81/17/1064238117.db2.gz SXJFVARSXFFNEN-VOJFVSQTSA-N 1 1 375.375 3.941 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001464424162 1064999793 /nfs/dbraw/zinc/99/97/93/1064999793.db2.gz FGOZEZIQZZNBHP-QLFBSQMISA-N 1 1 381.904 3.663 20 5 GHBDMO Cc1cc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001466027673 1065960702 /nfs/dbraw/zinc/96/07/02/1065960702.db2.gz YECGQLVZRYYBKB-XLIONFOSSA-N 1 1 380.448 3.641 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001468948578 1067935746 /nfs/dbraw/zinc/93/57/46/1067935746.db2.gz ZIIONKUAUKFELP-MOPGFXCFSA-N 1 1 388.512 3.748 20 5 GHBDMO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC001469751947 1068358659 /nfs/dbraw/zinc/35/86/59/1068358659.db2.gz HPBOFBGTVJGUJW-IKGGRYGDSA-N 1 1 388.512 3.651 20 5 GHBDMO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC001470139848 1068592031 /nfs/dbraw/zinc/59/20/31/1068592031.db2.gz BALRMLVTEUHWJX-FQEVSTJZSA-N 1 1 385.439 3.717 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC001360928970 1068697273 /nfs/dbraw/zinc/69/72/73/1068697273.db2.gz SRHFTNXVIOPNQC-SFHVURJKSA-N 1 1 383.448 3.513 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001460224459 1068869840 /nfs/dbraw/zinc/86/98/40/1068869840.db2.gz RAUQTTULWUDGNK-TZIWHRDSSA-N 1 1 379.460 3.752 20 5 GHBDMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001460293633 1068910783 /nfs/dbraw/zinc/91/07/83/1068910783.db2.gz CTZKJIYHUBEDMD-BZUAXINKSA-N 1 1 393.484 3.692 20 5 GHBDMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001460293633 1068910784 /nfs/dbraw/zinc/91/07/84/1068910784.db2.gz CTZKJIYHUBEDMD-BZUAXINKSA-N 1 1 393.484 3.692 20 5 GHBDMO C[C@@H]1[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001460293635 1068910961 /nfs/dbraw/zinc/91/09/61/1068910961.db2.gz CTZKJIYHUBEDMD-HRCADAONSA-N 1 1 393.484 3.692 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001460293635 1068910967 /nfs/dbraw/zinc/91/09/67/1068910967.db2.gz CTZKJIYHUBEDMD-HRCADAONSA-N 1 1 393.484 3.692 20 5 GHBDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001460602758 1069020212 /nfs/dbraw/zinc/02/02/12/1069020212.db2.gz JFHDZSNJSUVFKE-QZTJIDSGSA-N 1 1 388.439 3.742 20 5 GHBDMO O=C(C[N@H+]1CCCC[C@@H](C2CCOCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460689337 1069088141 /nfs/dbraw/zinc/08/81/41/1069088141.db2.gz HWEVAGFSDQNEQX-OAHLLOKOSA-N 1 1 395.887 3.715 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)O1 ZINC001460690225 1069088340 /nfs/dbraw/zinc/08/83/40/1069088340.db2.gz GHPGVBDFHZNWHK-JTSKRJEESA-N 1 1 399.466 3.599 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)cs1 ZINC001460877954 1069246100 /nfs/dbraw/zinc/24/61/00/1069246100.db2.gz KLUFYBGMGYGQGK-MRXNPFEDSA-N 1 1 397.294 3.902 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)cs1 ZINC001460877954 1069246115 /nfs/dbraw/zinc/24/61/15/1069246115.db2.gz KLUFYBGMGYGQGK-MRXNPFEDSA-N 1 1 397.294 3.902 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001460938855 1069285548 /nfs/dbraw/zinc/28/55/48/1069285548.db2.gz LOZBLGXSZXVIRJ-OAFZBRQQSA-N 1 1 378.469 3.662 20 5 GHBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001470430778 1072549373 /nfs/dbraw/zinc/54/93/73/1072549373.db2.gz CXXBWGYJXSOKOC-UHFFFAOYSA-N 1 1 380.247 3.891 20 5 GHBDMO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001470711434 1072697672 /nfs/dbraw/zinc/69/76/72/1072697672.db2.gz NBNJPBVOXDNXFO-FUHWJXTLSA-N 1 1 399.516 3.775 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C2)cc1 ZINC001471316392 1073015302 /nfs/dbraw/zinc/01/53/02/1073015302.db2.gz RSSDDBKEVQJDST-HNNXBMFYSA-N 1 1 391.830 3.700 20 5 GHBDMO CSc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC001473121978 1073790503 /nfs/dbraw/zinc/79/05/03/1073790503.db2.gz LXNACGLDIGTOLE-SFHVURJKSA-N 1 1 390.505 3.967 20 5 GHBDMO CCc1ccc([C@H]2CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473450800 1073969160 /nfs/dbraw/zinc/96/91/60/1073969160.db2.gz WYHXTJKSQJWANA-FQEVSTJZSA-N 1 1 393.487 3.926 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473463124 1073977557 /nfs/dbraw/zinc/97/75/57/1073977557.db2.gz QSYGVOLHLHKVJG-INIZCTEOSA-N 1 1 399.274 3.816 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CN(c4ccccc4)CCO3)C2)cc1 ZINC001473486952 1073985745 /nfs/dbraw/zinc/98/57/45/1073985745.db2.gz VRVDDIKFHYSOMB-DENIHFKCSA-N 1 1 381.476 3.680 20 5 GHBDMO CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001473761304 1074128477 /nfs/dbraw/zinc/12/84/77/1074128477.db2.gz HZTNFPWUEKNGKJ-NRFANRHFSA-N 1 1 383.492 3.960 20 5 GHBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001473761304 1074128481 /nfs/dbraw/zinc/12/84/81/1074128481.db2.gz HZTNFPWUEKNGKJ-NRFANRHFSA-N 1 1 383.492 3.960 20 5 GHBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001473761304 1074128487 /nfs/dbraw/zinc/12/84/87/1074128487.db2.gz HZTNFPWUEKNGKJ-NRFANRHFSA-N 1 1 383.492 3.960 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2cncc(Br)c2)cc1 ZINC001473816606 1074158437 /nfs/dbraw/zinc/15/84/37/1074158437.db2.gz CZRGCECWTMZXPT-KRWDZBQOSA-N 1 1 392.253 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2c2cncc(Br)c2)cc1 ZINC001473816606 1074158439 /nfs/dbraw/zinc/15/84/39/1074158439.db2.gz CZRGCECWTMZXPT-KRWDZBQOSA-N 1 1 392.253 3.968 20 5 GHBDMO C[C@H]([NH2+][C@@H](C)c1cc(Cl)cc2c1OCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001473827231 1074162848 /nfs/dbraw/zinc/16/28/48/1074162848.db2.gz SOJCISGPCPRRBD-RYUDHWBXSA-N 1 1 389.839 3.861 20 5 GHBDMO CCOc1cc(N2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC001474491637 1074430618 /nfs/dbraw/zinc/43/06/18/1074430618.db2.gz RVIPUIBXGVLSRH-ONEGZZNKSA-N 1 1 385.439 3.968 20 5 GHBDMO COC(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC001474494528 1074431464 /nfs/dbraw/zinc/43/14/64/1074431464.db2.gz ZHMAJJQMBGBFRD-UHFFFAOYSA-N 1 1 386.301 3.829 20 5 GHBDMO Cc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164791724 721490049 /nfs/dbraw/zinc/49/00/49/721490049.db2.gz FBCZVIQJFCCVIV-UHFFFAOYSA-N 1 1 381.480 3.574 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275588377 837557231 /nfs/dbraw/zinc/55/72/31/837557231.db2.gz CFIGJEMIHRFTRT-RTBURBONSA-N 1 1 397.425 3.728 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)s1 ZINC000180800082 837562551 /nfs/dbraw/zinc/56/25/51/837562551.db2.gz SZYOVZZCBHHUNW-OAHLLOKOSA-N 1 1 383.477 3.827 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000536035114 834420880 /nfs/dbraw/zinc/42/08/80/834420880.db2.gz KFFDIGOTEDXUDY-QGZVFWFLSA-N 1 1 394.456 3.635 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000536035114 834420887 /nfs/dbraw/zinc/42/08/87/834420887.db2.gz KFFDIGOTEDXUDY-QGZVFWFLSA-N 1 1 394.456 3.635 20 5 GHBDMO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000579767974 834609930 /nfs/dbraw/zinc/60/99/30/834609930.db2.gz OSXCYPILQHKSNP-SFHVURJKSA-N 1 1 387.436 3.634 20 5 GHBDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000579767974 834609935 /nfs/dbraw/zinc/60/99/35/834609935.db2.gz OSXCYPILQHKSNP-SFHVURJKSA-N 1 1 387.436 3.634 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000583596530 834719395 /nfs/dbraw/zinc/71/93/95/834719395.db2.gz PSELQBRWFURICB-IBGZPJMESA-N 1 1 381.476 3.556 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000430165770 834725430 /nfs/dbraw/zinc/72/54/30/834725430.db2.gz NNQSTTQQFAWGOM-OAHLLOKOSA-N 1 1 378.432 3.778 20 5 GHBDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000472324965 834871736 /nfs/dbraw/zinc/87/17/36/834871736.db2.gz XDBBPNBQMBSLJB-FUHWJXTLSA-N 1 1 395.459 3.846 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3Cc3cccc(F)c3)n2)cc1 ZINC000053076564 834890670 /nfs/dbraw/zinc/89/06/70/834890670.db2.gz XOEBWFXJBJUVGV-SFHVURJKSA-N 1 1 382.395 3.991 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000611938035 835083232 /nfs/dbraw/zinc/08/32/32/835083232.db2.gz GSGIYXXBLXUGNP-LJQANCHMSA-N 1 1 396.491 3.659 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000510090433 835120533 /nfs/dbraw/zinc/12/05/33/835120533.db2.gz WKJKKMAAKFSKBF-WMZOPIPTSA-N 1 1 397.475 3.634 20 5 GHBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CCN(c2ccccn2)CC1 ZINC000430238874 835337640 /nfs/dbraw/zinc/33/76/40/835337640.db2.gz LDQPQYSOVXDVRO-UHFFFAOYSA-N 1 1 384.480 3.737 20 5 GHBDMO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000179333376 835536915 /nfs/dbraw/zinc/53/69/15/835536915.db2.gz VOVRYHMYYKYJPT-MRXNPFEDSA-N 1 1 377.828 3.609 20 5 GHBDMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000179333376 835536921 /nfs/dbraw/zinc/53/69/21/835536921.db2.gz VOVRYHMYYKYJPT-MRXNPFEDSA-N 1 1 377.828 3.609 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000612131695 835580470 /nfs/dbraw/zinc/58/04/70/835580470.db2.gz BUOLXGFIYGOTTC-HLAWJBBLSA-N 1 1 379.460 3.625 20 5 GHBDMO CC[C@H](O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000134505446 835764509 /nfs/dbraw/zinc/76/45/09/835764509.db2.gz JIAJFQNADFJRNM-IBGZPJMESA-N 1 1 385.464 3.505 20 5 GHBDMO COc1cc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000188489660 835957901 /nfs/dbraw/zinc/95/79/01/835957901.db2.gz ICAKIDHCCKYMRV-MRXNPFEDSA-N 1 1 397.475 3.648 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000411157855 836070951 /nfs/dbraw/zinc/07/09/51/836070951.db2.gz RSBAAYTYMZLJQO-IBGZPJMESA-N 1 1 399.447 3.778 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000110173828 836246318 /nfs/dbraw/zinc/24/63/18/836246318.db2.gz OASQBQBCXJOEOF-UHFFFAOYSA-N 1 1 384.480 3.667 20 5 GHBDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000175371896 836301529 /nfs/dbraw/zinc/30/15/29/836301529.db2.gz VFEHOAVMZVKUDK-PVPMGCCUSA-N 1 1 376.478 3.794 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430306704 836410861 /nfs/dbraw/zinc/41/08/61/836410861.db2.gz YWLRZSWVKMMOJC-KRWDZBQOSA-N 1 1 397.475 3.867 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](O)C[C@@H]3c3ccccc3)o2)c1 ZINC000411958656 836460403 /nfs/dbraw/zinc/46/04/03/836460403.db2.gz XNSICHXKMGZULZ-RTBURBONSA-N 1 1 379.416 3.600 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000582618759 836503748 /nfs/dbraw/zinc/50/37/48/836503748.db2.gz IKJCYCJJNMCRIA-GFCCVEGCSA-N 1 1 387.402 3.854 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000174916825 836596794 /nfs/dbraw/zinc/59/67/94/836596794.db2.gz KHSYIFNBFWESRC-SFHVURJKSA-N 1 1 399.516 3.667 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000043347471 836654741 /nfs/dbraw/zinc/65/47/41/836654741.db2.gz SKJQKEQIUGDACT-UHFFFAOYSA-N 1 1 398.463 3.652 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000893839775 844188786 /nfs/dbraw/zinc/18/87/86/844188786.db2.gz YDVVOXHVROJPIS-KRWDZBQOSA-N 1 1 398.438 3.579 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510191739 836702547 /nfs/dbraw/zinc/70/25/47/836702547.db2.gz JAUUPZCNPTYSQT-HKUYNNGSSA-N 1 1 381.476 3.934 20 5 GHBDMO C[C@H](CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000175634915 836846308 /nfs/dbraw/zinc/84/63/08/836846308.db2.gz GDTRQNGNRIVUKX-QGZVFWFLSA-N 1 1 384.480 3.647 20 5 GHBDMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000510255847 837065970 /nfs/dbraw/zinc/06/59/70/837065970.db2.gz SGVFWJIWSGAQNT-KBXCAEBGSA-N 1 1 383.448 3.676 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000066675718 837204704 /nfs/dbraw/zinc/20/47/04/837204704.db2.gz GNUVTRLZAIVVHN-UHFFFAOYSA-N 1 1 397.475 3.588 20 5 GHBDMO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580507639 837357746 /nfs/dbraw/zinc/35/77/46/837357746.db2.gz VCKYBPYGYBGXAD-IEBWSBKVSA-N 1 1 381.476 3.679 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000101561528 837954408 /nfs/dbraw/zinc/95/44/08/837954408.db2.gz NUHHYFCOHMIIFP-AWEZNQCLSA-N 1 1 386.427 3.637 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000610296426 838198532 /nfs/dbraw/zinc/19/85/32/838198532.db2.gz CMDFSOQSSLKGHN-SFHVURJKSA-N 1 1 387.867 3.524 20 5 GHBDMO CC[C@H](C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000118849785 838261998 /nfs/dbraw/zinc/26/19/98/838261998.db2.gz UAXFCPIWZDCDJG-HNNXBMFYSA-N 1 1 380.448 3.675 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535694859 844317031 /nfs/dbraw/zinc/31/70/31/844317031.db2.gz POHWNIWRQDVTTK-QAPCUYQASA-N 1 1 392.459 3.717 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC000290474667 838335944 /nfs/dbraw/zinc/33/59/44/838335944.db2.gz WIHVVXBVXIDJOF-UHFFFAOYSA-N 1 1 386.477 3.550 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000177653862 838387864 /nfs/dbraw/zinc/38/78/64/838387864.db2.gz QANCLRCFAKUKNG-UHFFFAOYSA-N 1 1 397.475 3.696 20 5 GHBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000458186519 844424518 /nfs/dbraw/zinc/42/45/18/844424518.db2.gz LAIAJZFLIYCTIT-SFHVURJKSA-N 1 1 396.491 3.669 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC[N@H+]1Cc1ccccc1 ZINC001266608741 839484585 /nfs/dbraw/zinc/48/45/85/839484585.db2.gz OGUYXCQUSZNLFF-LJQANCHMSA-N 1 1 397.475 3.730 20 5 GHBDMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365819050 839553992 /nfs/dbraw/zinc/55/39/92/839553992.db2.gz ICCUXDUJOOCDEG-MRXNPFEDSA-N 1 1 399.495 3.887 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000610445854 839736836 /nfs/dbraw/zinc/73/68/36/839736836.db2.gz ISMBAYJOYPHXKT-QGZVFWFLSA-N 1 1 399.516 3.810 20 5 GHBDMO CC(C)Oc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000412198277 839959800 /nfs/dbraw/zinc/95/98/00/839959800.db2.gz WKSDXTRZQLGHLQ-IBGZPJMESA-N 1 1 397.475 3.729 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167434577 840186912 /nfs/dbraw/zinc/18/69/12/840186912.db2.gz WINSKDSGPXSIKU-AWEZNQCLSA-N 1 1 391.830 3.890 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511589068 840280573 /nfs/dbraw/zinc/28/05/73/840280573.db2.gz VBTZKBUSFSTYDC-MRXNPFEDSA-N 1 1 387.823 3.993 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511589068 840280583 /nfs/dbraw/zinc/28/05/83/840280583.db2.gz VBTZKBUSFSTYDC-MRXNPFEDSA-N 1 1 387.823 3.993 20 5 GHBDMO CC1(C)C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccc(F)cc2O1 ZINC000610804203 844547937 /nfs/dbraw/zinc/54/79/37/844547937.db2.gz RYJPFVPSVDLQRY-OAHLLOKOSA-N 1 1 388.395 3.897 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000511763455 840676865 /nfs/dbraw/zinc/67/68/65/840676865.db2.gz SPQJBEWDNLOLRQ-ZIFCJYIRSA-N 1 1 386.423 3.747 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CN(C)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000432134040 840803479 /nfs/dbraw/zinc/80/34/79/840803479.db2.gz RHTLTSJYDCWARW-KBXCAEBGSA-N 1 1 391.903 3.891 20 5 GHBDMO C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181671654 840897459 /nfs/dbraw/zinc/89/74/59/840897459.db2.gz WIZJZZGBHNGGSA-HOCLYGCPSA-N 1 1 386.496 3.552 20 5 GHBDMO Cc1csc(C[C@@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000933123257 840951484 /nfs/dbraw/zinc/95/14/84/840951484.db2.gz LXODUBHDTLULPZ-HNNXBMFYSA-N 1 1 388.493 3.561 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](Cc2cccc(O)c2)CC2CC2)cccc1[N+](=O)[O-] ZINC000120618286 844608956 /nfs/dbraw/zinc/60/89/56/844608956.db2.gz NRICVGVVYGXXRN-UHFFFAOYSA-N 1 1 383.448 3.850 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC001126008226 841276699 /nfs/dbraw/zinc/27/66/99/841276699.db2.gz RUFQBHYSKFNLOX-INIZCTEOSA-N 1 1 383.448 3.857 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000181630228 841357871 /nfs/dbraw/zinc/35/78/71/841357871.db2.gz QEJXNUZJVGKLTI-WMLDXEAASA-N 1 1 377.510 3.652 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000107586379 841397353 /nfs/dbraw/zinc/39/73/53/841397353.db2.gz MSGLWMLCBQDLCU-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000473091795 841413900 /nfs/dbraw/zinc/41/39/00/841413900.db2.gz WZIDAMRXBQKPKW-OAQYLSRUSA-N 1 1 396.491 3.609 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c2c(c1)COCO2 ZINC000418089057 841493044 /nfs/dbraw/zinc/49/30/44/841493044.db2.gz BGGXCMUHDINVKJ-KRWDZBQOSA-N 1 1 390.386 3.947 20 5 GHBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1Br ZINC000109092685 841776779 /nfs/dbraw/zinc/77/67/79/841776779.db2.gz IHCIOLHRSVWPAC-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1Br ZINC000109092685 841776786 /nfs/dbraw/zinc/77/67/86/841776786.db2.gz IHCIOLHRSVWPAC-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000126682387 841813583 /nfs/dbraw/zinc/81/35/83/841813583.db2.gz YXCHXDQTFCSNRQ-FQEVSTJZSA-N 1 1 395.503 3.816 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000603840640 861244009 /nfs/dbraw/zinc/24/40/09/861244009.db2.gz PGKDOSOPXLWCMQ-HKUYNNGSSA-N 1 1 376.840 3.825 20 5 GHBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133756 841857784 /nfs/dbraw/zinc/85/77/84/841857784.db2.gz BCCWQFCPAOTNOR-DYESRHJHSA-N 1 1 383.448 3.633 20 5 GHBDMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000109347995 841873313 /nfs/dbraw/zinc/87/33/13/841873313.db2.gz UXHBVSNBUAANQW-CRAIPNDOSA-N 1 1 385.439 3.823 20 5 GHBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000047937960 842062975 /nfs/dbraw/zinc/06/29/75/842062975.db2.gz FDFNGRXEYOPSRX-HNNXBMFYSA-N 1 1 393.447 3.909 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@H+]1Cc1ccccc1 ZINC000157928824 842167359 /nfs/dbraw/zinc/16/73/59/842167359.db2.gz MXRFLNOABZFOGM-WBVHZDCISA-N 1 1 390.443 3.536 20 5 GHBDMO C[C@@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000127315735 842252838 /nfs/dbraw/zinc/25/28/38/842252838.db2.gz XFTDQYZUBFXUTQ-HZPDHXFCSA-N 1 1 388.537 3.610 20 5 GHBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)c2)C[C@H](C)O1 ZINC000121512245 842476669 /nfs/dbraw/zinc/47/66/69/842476669.db2.gz GKGWKUZQBSNUEQ-KBPBESRZSA-N 1 1 387.411 3.595 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000600230615 861317668 /nfs/dbraw/zinc/31/76/68/861317668.db2.gz WTTYBXCVZGUHEM-CYBMUJFWSA-N 1 1 385.386 3.750 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000481417526 861337969 /nfs/dbraw/zinc/33/79/69/861337969.db2.gz RWDZTJPCAUNUCT-RTBURBONSA-N 1 1 380.448 3.695 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCOCC3)o2)c(Br)c1 ZINC000510500842 842802045 /nfs/dbraw/zinc/80/20/45/842802045.db2.gz GKEAAORAFOMCBC-UHFFFAOYSA-N 1 1 381.226 3.840 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CCO)c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000512213928 843110589 /nfs/dbraw/zinc/11/05/89/843110589.db2.gz QIWYLOUJEBEJMY-AWEZNQCLSA-N 1 1 395.246 3.991 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000603919353 861401864 /nfs/dbraw/zinc/40/18/64/861401864.db2.gz DFLLHNIUXWTNHL-RBUKOAKNSA-N 1 1 394.475 3.564 20 5 GHBDMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171101322 861485454 /nfs/dbraw/zinc/48/54/54/861485454.db2.gz XLCCWQDJHBOAFE-UHFFFAOYSA-N 1 1 375.375 3.724 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cc1 ZINC000473524331 844996409 /nfs/dbraw/zinc/99/64/09/844996409.db2.gz XDLSIZVENURPAP-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO COC[C@H](C)[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599683283 861521613 /nfs/dbraw/zinc/52/16/13/861521613.db2.gz QLDXEELFASYQQH-LPHOPBHVSA-N 1 1 397.475 3.866 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000458333350 845038041 /nfs/dbraw/zinc/03/80/41/845038041.db2.gz OTDFBJDRMBAKSW-MJGOQNOKSA-N 1 1 388.512 3.604 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127437056 845072482 /nfs/dbraw/zinc/07/24/82/845072482.db2.gz LRJOCTXCEDLBKA-QGZVFWFLSA-N 1 1 393.447 3.875 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127437056 845072493 /nfs/dbraw/zinc/07/24/93/845072493.db2.gz LRJOCTXCEDLBKA-QGZVFWFLSA-N 1 1 393.447 3.875 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433062984 845111029 /nfs/dbraw/zinc/11/10/29/845111029.db2.gz QUTOSPCUNZIONT-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433062984 845111038 /nfs/dbraw/zinc/11/10/38/845111038.db2.gz QUTOSPCUNZIONT-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433073433 845169220 /nfs/dbraw/zinc/16/92/20/845169220.db2.gz AXYLBHYUOVYMGL-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433073433 845169224 /nfs/dbraw/zinc/16/92/24/845169224.db2.gz AXYLBHYUOVYMGL-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO CCc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000433074088 845178597 /nfs/dbraw/zinc/17/85/97/845178597.db2.gz UWUGIMHNOADQFD-KRWDZBQOSA-N 1 1 383.448 3.594 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000433074088 845178602 /nfs/dbraw/zinc/17/86/02/845178602.db2.gz UWUGIMHNOADQFD-KRWDZBQOSA-N 1 1 383.448 3.594 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000131652317 861548020 /nfs/dbraw/zinc/54/80/20/861548020.db2.gz AOODPBPFNCCCTQ-MRXNPFEDSA-N 1 1 382.464 3.654 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000131652317 861548032 /nfs/dbraw/zinc/54/80/32/861548032.db2.gz AOODPBPFNCCCTQ-MRXNPFEDSA-N 1 1 382.464 3.654 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1[N+](=O)[O-] ZINC000433826447 845443321 /nfs/dbraw/zinc/44/33/21/845443321.db2.gz OUGIIMKPFGCNII-OAHLLOKOSA-N 1 1 399.495 3.746 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000182601865 845495429 /nfs/dbraw/zinc/49/54/29/845495429.db2.gz ARQIPLPKCMFIGG-OAHLLOKOSA-N 1 1 380.448 3.944 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000896745252 861580159 /nfs/dbraw/zinc/58/01/59/861580159.db2.gz HECGVRZFMIKERZ-SNVBAGLBSA-N 1 1 392.258 3.845 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000513516512 845565019 /nfs/dbraw/zinc/56/50/19/845565019.db2.gz XPBIYTBKSQOUCB-NRFANRHFSA-N 1 1 380.448 3.725 20 5 GHBDMO C[C@@H](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+](C)Cc1ccccc1 ZINC000472049598 845592239 /nfs/dbraw/zinc/59/22/39/845592239.db2.gz RXQRPVRCCDYBFE-HNNXBMFYSA-N 1 1 380.448 3.717 20 5 GHBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000538794278 845616608 /nfs/dbraw/zinc/61/66/08/845616608.db2.gz RGTUJCLTWXDNAU-IBGZPJMESA-N 1 1 396.491 3.663 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(NC(C)=O)nc3)o2)c([N+](=O)[O-])c1 ZINC000433186539 845628747 /nfs/dbraw/zinc/62/87/47/845628747.db2.gz KAXPGQXQQQVLGX-UHFFFAOYSA-N 1 1 396.403 3.507 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000843815767 861589052 /nfs/dbraw/zinc/58/90/52/861589052.db2.gz XRMJAJLGAUCVGK-KBXCAEBGSA-N 1 1 385.439 3.683 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000478028797 845706462 /nfs/dbraw/zinc/70/64/62/845706462.db2.gz UWHNUXIBNPDCMR-ZWKOTPCHSA-N 1 1 375.469 3.511 20 5 GHBDMO Cc1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cn2cc[nH+]c12 ZINC000502763332 846441691 /nfs/dbraw/zinc/44/16/91/846441691.db2.gz OSOQYCYRJDHMKB-UHFFFAOYSA-N 1 1 379.401 3.927 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000280657426 846483709 /nfs/dbraw/zinc/48/37/09/846483709.db2.gz BANIRCBYOXAGKA-UHFFFAOYSA-N 1 1 381.436 3.696 20 5 GHBDMO Cc1ccc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(N2CCCC2)[nH+]1 ZINC000611580279 846528067 /nfs/dbraw/zinc/52/80/67/846528067.db2.gz IQFISXZHSVKJCI-MRXNPFEDSA-N 1 1 397.479 3.767 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000511090194 846596508 /nfs/dbraw/zinc/59/65/08/846596508.db2.gz IEIHJBSQCRXYRI-INIZCTEOSA-N 1 1 398.381 3.528 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000303468451 861734254 /nfs/dbraw/zinc/73/42/54/861734254.db2.gz HFDJZKACCWJJJY-UHFFFAOYSA-N 1 1 383.448 3.633 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000501813611 847194416 /nfs/dbraw/zinc/19/44/16/847194416.db2.gz PFUQXWAZKYCVOM-OAQYLSRUSA-N 1 1 381.476 3.716 20 5 GHBDMO Cc1cnc(C2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)s1 ZINC000277593421 847210015 /nfs/dbraw/zinc/21/00/15/847210015.db2.gz UZXRTAJAYUAAMV-UHFFFAOYSA-N 1 1 375.450 3.606 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)cccc1[N+](=O)[O-] ZINC000562046404 847220238 /nfs/dbraw/zinc/22/02/38/847220238.db2.gz OILCAGGYEYOBAE-AOMKIAJQSA-N 1 1 395.459 3.700 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cccc1[N+](=O)[O-] ZINC000562046404 847220248 /nfs/dbraw/zinc/22/02/48/847220248.db2.gz OILCAGGYEYOBAE-AOMKIAJQSA-N 1 1 395.459 3.700 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cccc1[N+](=O)[O-] ZINC000562046405 847238733 /nfs/dbraw/zinc/23/87/33/847238733.db2.gz OILCAGGYEYOBAE-KSFYIVLOSA-N 1 1 395.459 3.700 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cccc1[N+](=O)[O-] ZINC000562046405 847238744 /nfs/dbraw/zinc/23/87/44/847238744.db2.gz OILCAGGYEYOBAE-KSFYIVLOSA-N 1 1 395.459 3.700 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000431414768 847258322 /nfs/dbraw/zinc/25/83/22/847258322.db2.gz OHMVOVSAVQXZDK-UHFFFAOYSA-N 1 1 393.241 3.504 20 5 GHBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000366652128 847370641 /nfs/dbraw/zinc/37/06/41/847370641.db2.gz JUPJUIICJDHJES-UXHICEINSA-N 1 1 398.850 3.793 20 5 GHBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000366652128 847370649 /nfs/dbraw/zinc/37/06/49/847370649.db2.gz JUPJUIICJDHJES-UXHICEINSA-N 1 1 398.850 3.793 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000413427184 847393491 /nfs/dbraw/zinc/39/34/91/847393491.db2.gz YQXPBWLHNUMDBI-LEWJYISDSA-N 1 1 381.476 3.855 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000176682194 847533101 /nfs/dbraw/zinc/53/31/01/847533101.db2.gz NIMDFCIUTMGRAN-MRXNPFEDSA-N 1 1 375.400 3.592 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612132322 848495711 /nfs/dbraw/zinc/49/57/11/848495711.db2.gz JVFDGPNFBLLLSC-NJDAHSKKSA-N 1 1 393.487 3.554 20 5 GHBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132159328 861929289 /nfs/dbraw/zinc/92/92/89/861929289.db2.gz WDCGNMWCTWORBN-PXNSSMCTSA-N 1 1 397.450 3.861 20 5 GHBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000604188073 861950242 /nfs/dbraw/zinc/95/02/42/861950242.db2.gz RYPWCECWVDSWIE-UHFFFAOYSA-N 1 1 388.512 3.511 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000434894058 849864149 /nfs/dbraw/zinc/86/41/49/849864149.db2.gz CYTAFPQCXGTTBV-YJBOKZPZSA-N 1 1 383.448 3.810 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000434894058 849864158 /nfs/dbraw/zinc/86/41/58/849864158.db2.gz CYTAFPQCXGTTBV-YJBOKZPZSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(CN[C@H](C)[C@H]2CCC[NH2+]C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414858099 849880560 /nfs/dbraw/zinc/88/05/60/849880560.db2.gz QUBRFRSSCZBSGM-APWZRJJASA-N 1 1 399.491 3.660 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423380352 849893083 /nfs/dbraw/zinc/89/30/83/849893083.db2.gz YLMXHJKXCWNJMT-VVFCZOMOSA-N 1 1 375.419 3.539 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000486985168 850315565 /nfs/dbraw/zinc/31/55/65/850315565.db2.gz UQBDZOXCFHQUNK-QAPCUYQASA-N 1 1 394.475 3.802 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000518913886 850341091 /nfs/dbraw/zinc/34/10/91/850341091.db2.gz NOUKAQIDAVTMHF-LJQANCHMSA-N 1 1 397.479 3.817 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](CCO)C2CCC2)cc1 ZINC000439795710 850411534 /nfs/dbraw/zinc/41/15/34/850411534.db2.gz VNGRTFIZCRTELE-UHFFFAOYSA-N 1 1 392.459 3.794 20 5 GHBDMO CC1CC[NH+]([C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)c2cccs2)CC1 ZINC000027573661 850424753 /nfs/dbraw/zinc/42/47/53/850424753.db2.gz VIFWNPUXFLAHMP-CYBMUJFWSA-N 1 1 379.507 3.921 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1cccc(O)c1 ZINC000174618516 850538012 /nfs/dbraw/zinc/53/80/12/850538012.db2.gz QIEDIQWZCBQHGA-AWEZNQCLSA-N 1 1 387.436 3.721 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000439913786 850578977 /nfs/dbraw/zinc/57/89/77/850578977.db2.gz WZFUBRYFARSCNS-APWZRJJASA-N 1 1 384.436 3.560 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000487261133 850615135 /nfs/dbraw/zinc/61/51/35/850615135.db2.gz WMFNQVKOQAEKKB-UHFFFAOYSA-N 1 1 389.839 3.944 20 5 GHBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cncc(OCc3ccccc3)c1)CC2 ZINC000488142588 851201191 /nfs/dbraw/zinc/20/11/91/851201191.db2.gz CAXFHGBFDOJLQB-UHFFFAOYSA-N 1 1 376.416 3.522 20 5 GHBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cncc(OCc3ccccc3)c1)CC2 ZINC000488142588 851201198 /nfs/dbraw/zinc/20/11/98/851201198.db2.gz CAXFHGBFDOJLQB-UHFFFAOYSA-N 1 1 376.416 3.522 20 5 GHBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000515594871 851222269 /nfs/dbraw/zinc/22/22/69/851222269.db2.gz UHYKKFROBXVZNX-UHFFFAOYSA-N 1 1 394.431 3.981 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000514184900 851337912 /nfs/dbraw/zinc/33/79/12/851337912.db2.gz AAFPSHWBVNBVFD-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000434621519 851338655 /nfs/dbraw/zinc/33/86/55/851338655.db2.gz UDLLRZRCPJCENU-YLJYHZDGSA-N 1 1 376.428 3.803 20 5 GHBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436284275 851407788 /nfs/dbraw/zinc/40/77/88/851407788.db2.gz MQVOEQQPFJUOQD-OXQOHEQNSA-N 1 1 388.512 3.699 20 5 GHBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000436284275 851407791 /nfs/dbraw/zinc/40/77/91/851407791.db2.gz MQVOEQQPFJUOQD-OXQOHEQNSA-N 1 1 388.512 3.699 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)c1ccccc1 ZINC000604493475 862250931 /nfs/dbraw/zinc/25/09/31/862250931.db2.gz VIPGCPAEQSLXPM-QGZVFWFLSA-N 1 1 385.464 3.941 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC[NH2+]2)cc1 ZINC000505492077 851560827 /nfs/dbraw/zinc/56/08/27/851560827.db2.gz WDVMBSDTXIKYKM-JLTOFOAXSA-N 1 1 385.439 3.573 20 5 GHBDMO COC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C(C)C ZINC000430117634 851602563 /nfs/dbraw/zinc/60/25/63/851602563.db2.gz FTXVAXHBTINUPF-IRXDYDNUSA-N 1 1 389.477 3.738 20 5 GHBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@@H](C)C1 ZINC000488764982 851754039 /nfs/dbraw/zinc/75/40/39/851754039.db2.gz LZMVALYRGQAXDL-QKLQHJQFSA-N 1 1 396.491 3.735 20 5 GHBDMO Cc1ccc([C@@H](C)[NH2+]Cc2sc(N3CCOCC3)nc2Cl)cc1[N+](=O)[O-] ZINC000894315313 851934741 /nfs/dbraw/zinc/93/47/41/851934741.db2.gz COEAXAKYQJGYFE-GFCCVEGCSA-N 1 1 396.900 3.701 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000489040067 851959059 /nfs/dbraw/zinc/95/90/59/851959059.db2.gz FWIVSEFIKSPCRL-JOCHJYFZSA-N 1 1 396.491 3.791 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438046239 851979090 /nfs/dbraw/zinc/97/90/90/851979090.db2.gz CBMHDARTXPKEMN-UHFFFAOYSA-N 1 1 387.402 3.950 20 5 GHBDMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000519575248 852169253 /nfs/dbraw/zinc/16/92/53/852169253.db2.gz KQMXTJCHOUMDJV-GMBSWORKSA-N 1 1 387.505 3.959 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000489578636 852450157 /nfs/dbraw/zinc/45/01/57/852450157.db2.gz BJYRCRBLKOUPEN-FUHWJXTLSA-N 1 1 396.491 3.792 20 5 GHBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000506280612 852568534 /nfs/dbraw/zinc/56/85/34/852568534.db2.gz JWGAXPCVZSLGIS-LBPRGKRZSA-N 1 1 378.812 3.893 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507166216 852617286 /nfs/dbraw/zinc/61/72/86/852617286.db2.gz VLOBZKMKVFBYBA-MRXNPFEDSA-N 1 1 383.448 3.730 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490017044 852724773 /nfs/dbraw/zinc/72/47/73/852724773.db2.gz XMEOMIKRXMYLIP-LPHOPBHVSA-N 1 1 396.491 3.650 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000490079479 852752062 /nfs/dbraw/zinc/75/20/62/852752062.db2.gz KPRQHFLZHWNTBC-DOTOQJQBSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000490079479 852752070 /nfs/dbraw/zinc/75/20/70/852752070.db2.gz KPRQHFLZHWNTBC-DOTOQJQBSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000516602633 852766219 /nfs/dbraw/zinc/76/62/19/852766219.db2.gz RHVSVZQIELJKSK-AWEZNQCLSA-N 1 1 393.390 3.979 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000507303420 852780431 /nfs/dbraw/zinc/78/04/31/852780431.db2.gz LILNVZJGXSDVSP-RHSMWYFYSA-N 1 1 377.510 3.653 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000507303421 852780622 /nfs/dbraw/zinc/78/06/22/852780622.db2.gz LILNVZJGXSDVSP-WMLDXEAASA-N 1 1 377.510 3.653 20 5 GHBDMO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490258120 852863204 /nfs/dbraw/zinc/86/32/04/852863204.db2.gz YOTOJJJKYZPKBO-QAPCUYQASA-N 1 1 392.459 3.717 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437355474 853036339 /nfs/dbraw/zinc/03/63/39/853036339.db2.gz LEFOVNWAMCGCKQ-CYBMUJFWSA-N 1 1 387.402 3.711 20 5 GHBDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000517058533 853312802 /nfs/dbraw/zinc/31/28/02/853312802.db2.gz JXIWETOYXNQHFS-KWMDWPEISA-N 1 1 382.460 3.650 20 5 GHBDMO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506113356 853451179 /nfs/dbraw/zinc/45/11/79/853451179.db2.gz NIOYLNUVVWROSM-MRXNPFEDSA-N 1 1 389.839 3.880 20 5 GHBDMO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506113356 853451186 /nfs/dbraw/zinc/45/11/86/853451186.db2.gz NIOYLNUVVWROSM-MRXNPFEDSA-N 1 1 389.839 3.880 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000517266947 853597600 /nfs/dbraw/zinc/59/76/00/853597600.db2.gz BAHLNZRXEXBXNB-SFHVURJKSA-N 1 1 397.475 3.636 20 5 GHBDMO Cc1cccc(OCC[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000506149429 853605908 /nfs/dbraw/zinc/60/59/08/853605908.db2.gz YACAGUPEEWXECH-UHFFFAOYSA-N 1 1 380.448 3.815 20 5 GHBDMO CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760656949 853659711 /nfs/dbraw/zinc/65/97/11/853659711.db2.gz NZOCFKAYNORTIV-QYFOZDBKSA-N 1 1 379.460 3.731 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000052865600 853679234 /nfs/dbraw/zinc/67/92/34/853679234.db2.gz IGDCBHXXVKKBTG-LJQANCHMSA-N 1 1 383.448 3.523 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000052865600 853679244 /nfs/dbraw/zinc/67/92/44/853679244.db2.gz IGDCBHXXVKKBTG-LJQANCHMSA-N 1 1 383.448 3.523 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000571429500 853877428 /nfs/dbraw/zinc/87/74/28/853877428.db2.gz GJNMGGZLDSSXBE-HDMKZQKVSA-N 1 1 391.537 3.899 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055414863 853906383 /nfs/dbraw/zinc/90/63/83/853906383.db2.gz ILCUBIGTAMQDER-SFHVURJKSA-N 1 1 391.515 3.535 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438501740 854042679 /nfs/dbraw/zinc/04/26/79/854042679.db2.gz MFSAUBSCCMYKKW-NRFANRHFSA-N 1 1 383.448 3.596 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000588771330 854411613 /nfs/dbraw/zinc/41/16/13/854411613.db2.gz XRDGXMZFILLSBQ-KDOFPFPSSA-N 1 1 385.489 3.710 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccccc1N(C)C ZINC000588978561 854624230 /nfs/dbraw/zinc/62/42/30/854624230.db2.gz SUOKAVXWAZLDLR-CYBMUJFWSA-N 1 1 390.871 3.773 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1N(C)C ZINC000588978561 854624237 /nfs/dbraw/zinc/62/42/37/854624237.db2.gz SUOKAVXWAZLDLR-CYBMUJFWSA-N 1 1 390.871 3.773 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCOc2ccccc2Cl)c1 ZINC000589495000 854907109 /nfs/dbraw/zinc/90/71/09/854907109.db2.gz QGARHGMHWVRXHJ-UHFFFAOYSA-N 1 1 378.812 3.546 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCOc2ccccc2Cl)c1 ZINC000589495000 854907114 /nfs/dbraw/zinc/90/71/14/854907114.db2.gz QGARHGMHWVRXHJ-UHFFFAOYSA-N 1 1 378.812 3.546 20 5 GHBDMO Cc1ccc(-c2noc([C@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000543545641 862647561 /nfs/dbraw/zinc/64/75/61/862647561.db2.gz IPHUVXPSDNCDOT-ZDUSSCGKSA-N 1 1 386.383 3.822 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000590145792 855297332 /nfs/dbraw/zinc/29/73/32/855297332.db2.gz VMZXFVHFCAUOFT-QGZVFWFLSA-N 1 1 387.505 3.997 20 5 GHBDMO O=C(NC1CC1)c1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000590659586 855535744 /nfs/dbraw/zinc/53/57/44/855535744.db2.gz LSPYVRWTRHMPRJ-LJQANCHMSA-N 1 1 379.460 3.867 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000184704968 855618744 /nfs/dbraw/zinc/61/87/44/855618744.db2.gz SCZHINKMMZQGET-HXUWFJFHSA-N 1 1 383.492 3.932 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)Nc1cc(N2CC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000591029755 855726040 /nfs/dbraw/zinc/72/60/40/855726040.db2.gz KLTBOYYQXYVOGJ-ACZWYYKOSA-N 1 1 398.507 3.787 20 5 GHBDMO Cc1ccc(NCCCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH+]c1 ZINC000171424095 856134743 /nfs/dbraw/zinc/13/47/43/856134743.db2.gz PXPUOOGYVZZDMT-UHFFFAOYSA-N 1 1 385.468 3.720 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000171701354 856233852 /nfs/dbraw/zinc/23/38/52/856233852.db2.gz RPDCGYAODDVUOE-SFHVURJKSA-N 1 1 376.501 3.635 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1ccc(Cl)cc1Cl ZINC000474012188 856268989 /nfs/dbraw/zinc/26/89/89/856268989.db2.gz NTLNOFJXZMYHAK-GFCCVEGCSA-N 1 1 386.260 3.858 20 5 GHBDMO O=C1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1c1ccccc1 ZINC000172116112 856342610 /nfs/dbraw/zinc/34/26/10/856342610.db2.gz GKCGJTZLWWCJSD-HNNXBMFYSA-N 1 1 394.456 3.613 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C)C1 ZINC000172761016 856590158 /nfs/dbraw/zinc/59/01/58/856590158.db2.gz XWICUVJSASRNAP-HIFRSBDPSA-N 1 1 387.427 3.745 20 5 GHBDMO CNc1c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000462983251 856759728 /nfs/dbraw/zinc/75/97/28/856759728.db2.gz ZVSMFYMSEJJWJF-SJLPKXTDSA-N 1 1 396.491 3.762 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544097468 856799206 /nfs/dbraw/zinc/79/92/06/856799206.db2.gz XGDBWQZLWMSBDH-FUHWJXTLSA-N 1 1 399.516 3.714 20 5 GHBDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245653435 857057673 /nfs/dbraw/zinc/05/76/73/857057673.db2.gz KPFHCPJUYIVZIH-GDBMZVCRSA-N 1 1 393.509 3.916 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000554961365 857188092 /nfs/dbraw/zinc/18/80/92/857188092.db2.gz JPWNNNGXMAKXBC-SFHVURJKSA-N 1 1 397.475 3.730 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246375309 857361367 /nfs/dbraw/zinc/36/13/67/857361367.db2.gz HWGBDCBIRGWERQ-JKSUJKDBSA-N 1 1 379.526 3.560 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001128251046 857393101 /nfs/dbraw/zinc/39/31/01/857393101.db2.gz IZHIPXZMNNUVLF-QGFLDLQWSA-N 1 1 381.476 3.881 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000246585462 857411057 /nfs/dbraw/zinc/41/10/57/857411057.db2.gz SSYMNTXIJIBOHF-KBXCAEBGSA-N 1 1 389.477 3.755 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000246585462 857411070 /nfs/dbraw/zinc/41/10/70/857411070.db2.gz SSYMNTXIJIBOHF-KBXCAEBGSA-N 1 1 389.477 3.755 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000113900189 857775382 /nfs/dbraw/zinc/77/53/82/857775382.db2.gz XDHVCDLGEQZATI-GJZGRUSLSA-N 1 1 379.888 3.975 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486499511 857798366 /nfs/dbraw/zinc/79/83/66/857798366.db2.gz YAYYLFAHZZCOAW-CABCVRRESA-N 1 1 395.450 3.529 20 5 GHBDMO CN(c1ccccc1)C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000065957124 857897636 /nfs/dbraw/zinc/89/76/36/857897636.db2.gz NAUYUELPNWTDNX-UHFFFAOYSA-N 1 1 393.447 3.746 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000463948380 858205487 /nfs/dbraw/zinc/20/54/87/858205487.db2.gz HFYKJOWXSUMZIX-UHFFFAOYSA-N 1 1 388.493 3.665 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000184888307 858257199 /nfs/dbraw/zinc/25/71/99/858257199.db2.gz NAYZEFVFZBQXKE-RBUKOAKNSA-N 1 1 375.513 3.648 20 5 GHBDMO COCCC[N@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000066865613 858326446 /nfs/dbraw/zinc/32/64/46/858326446.db2.gz HVPYWCPINNSJNL-GOSISDBHSA-N 1 1 391.855 3.896 20 5 GHBDMO COCCC[N@@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000066865613 858326452 /nfs/dbraw/zinc/32/64/52/858326452.db2.gz HVPYWCPINNSJNL-GOSISDBHSA-N 1 1 391.855 3.896 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CC[C@H](O)CC1 ZINC000595560425 858568187 /nfs/dbraw/zinc/56/81/87/858568187.db2.gz CCRHDPYUAOGXAE-WGSAOQKQSA-N 1 1 380.448 3.777 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000067555936 858610722 /nfs/dbraw/zinc/61/07/22/858610722.db2.gz FSTNTTAAFIFIDE-UHFFFAOYSA-N 1 1 399.382 3.558 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595791056 858689931 /nfs/dbraw/zinc/68/99/31/858689931.db2.gz TXQFLPXGNFABNF-QWQRMKEZSA-N 1 1 395.887 3.856 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595791056 858689935 /nfs/dbraw/zinc/68/99/35/858689935.db2.gz TXQFLPXGNFABNF-QWQRMKEZSA-N 1 1 395.887 3.856 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000595881178 858705054 /nfs/dbraw/zinc/70/50/54/858705054.db2.gz RSEPWAFHYHWWHX-INIZCTEOSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000595877887 858724638 /nfs/dbraw/zinc/72/46/38/858724638.db2.gz LFYALFJTDCOFIB-GDBMZVCRSA-N 1 1 383.448 3.592 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000595878190 858724998 /nfs/dbraw/zinc/72/49/98/858724998.db2.gz LFYALFJTDCOFIB-ZBFHGGJFSA-N 1 1 383.448 3.592 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596076910 858773509 /nfs/dbraw/zinc/77/35/09/858773509.db2.gz SDGIWDKDYZKHHT-OAHLLOKOSA-N 1 1 382.464 3.680 20 5 GHBDMO O=c1[nH]ccc(N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000596118873 858783970 /nfs/dbraw/zinc/78/39/70/858783970.db2.gz HJDGQJXRUQOIMQ-CYBMUJFWSA-N 1 1 380.807 3.564 20 5 GHBDMO O=c1[nH]ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000596118873 858783977 /nfs/dbraw/zinc/78/39/77/858783977.db2.gz HJDGQJXRUQOIMQ-CYBMUJFWSA-N 1 1 380.807 3.564 20 5 GHBDMO C[N@@H+](CCc1cccc2ccccc21)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543206167 858879689 /nfs/dbraw/zinc/87/96/89/858879689.db2.gz OBWAOEXMAJYUGO-IBGZPJMESA-N 1 1 380.444 3.662 20 5 GHBDMO CC(C)(C)Oc1cc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596422839 858892280 /nfs/dbraw/zinc/89/22/80/858892280.db2.gz HPBDWUOWIGGTAU-LJQANCHMSA-N 1 1 399.491 3.951 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(Cl)cc2c1OCC2 ZINC000922987611 858919961 /nfs/dbraw/zinc/91/99/61/858919961.db2.gz WAFLHGYIZNFSRY-LLVKDONJSA-N 1 1 390.823 3.900 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2c3ccccc3-c3ccccc32)cc1 ZINC000543598156 858923493 /nfs/dbraw/zinc/92/34/93/858923493.db2.gz ZWSXWKFTTZYMTE-UHFFFAOYSA-N 1 1 394.452 3.728 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466294613 859016581 /nfs/dbraw/zinc/01/65/81/859016581.db2.gz BCOSELRTQGFWBG-IBGZPJMESA-N 1 1 388.512 3.779 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000069087093 859337050 /nfs/dbraw/zinc/33/70/50/859337050.db2.gz DJLYHMZSTGLUOC-SFHVURJKSA-N 1 1 399.447 3.778 20 5 GHBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC[C@H]2N1 ZINC000597205849 859359995 /nfs/dbraw/zinc/35/99/95/859359995.db2.gz LIHURCIBIGIWPV-YVEFUNNKSA-N 1 1 389.839 3.609 20 5 GHBDMO CN1Cc2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc([N+](=O)[O-])c2N1 ZINC001170337511 881439278 /nfs/dbraw/zinc/43/92/78/881439278.db2.gz SXCUBQASBXCMCY-OWZKRDHZSA-N 1 1 393.491 3.975 20 5 GHBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000611202074 859647990 /nfs/dbraw/zinc/64/79/90/859647990.db2.gz DASNODZJZXWFNF-UHFFFAOYSA-N 1 1 377.510 3.797 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCNc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000552066228 859686306 /nfs/dbraw/zinc/68/63/06/859686306.db2.gz ALXPNXYRRKOBHB-LJQANCHMSA-N 1 1 383.427 3.649 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](Cc2cccnc2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC001170345175 881466053 /nfs/dbraw/zinc/46/60/53/881466053.db2.gz HKOSXJYKKISZNP-INIZCTEOSA-N 1 1 385.464 3.611 20 5 GHBDMO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597860272 859875794 /nfs/dbraw/zinc/87/57/94/859875794.db2.gz MVTDMDMDUQNOSZ-LBPRGKRZSA-N 1 1 398.301 3.516 20 5 GHBDMO CCN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000597946636 859952130 /nfs/dbraw/zinc/95/21/30/859952130.db2.gz QZHSWAKQTZYLQH-KRWDZBQOSA-N 1 1 385.489 3.912 20 5 GHBDMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000092098652 859989847 /nfs/dbraw/zinc/98/98/47/859989847.db2.gz KETKJNWSRCRRDM-MRXNPFEDSA-N 1 1 389.839 3.751 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000598031574 860011129 /nfs/dbraw/zinc/01/11/29/860011129.db2.gz YAAMOXFTGXAVQL-UHFFFAOYSA-N 1 1 397.460 3.754 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000602464705 860044341 /nfs/dbraw/zinc/04/43/41/860044341.db2.gz MTUBGLJBTYFIMS-ZDUSSCGKSA-N 1 1 395.385 3.531 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000555150805 860128497 /nfs/dbraw/zinc/12/84/97/860128497.db2.gz HGUILKVOLZZKMT-WMZOPIPTSA-N 1 1 397.475 3.885 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000602720632 860229647 /nfs/dbraw/zinc/22/96/47/860229647.db2.gz JWDIEGVICUWWEM-GFCCVEGCSA-N 1 1 382.264 3.703 20 5 GHBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000598397936 860280043 /nfs/dbraw/zinc/28/00/43/860280043.db2.gz WUIAHUWTGFQIQK-QGZVFWFLSA-N 1 1 397.450 3.766 20 5 GHBDMO COCC[N@H+](Cc1ccc(C)o1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093707131 860335122 /nfs/dbraw/zinc/33/51/22/860335122.db2.gz VQJPIGHEFJFBNO-UHFFFAOYSA-N 1 1 384.436 3.545 20 5 GHBDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093707131 860335129 /nfs/dbraw/zinc/33/51/29/860335129.db2.gz VQJPIGHEFJFBNO-UHFFFAOYSA-N 1 1 384.436 3.545 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](c4ccc5cccnc5n4)C3)nc2c1 ZINC000602884071 860336065 /nfs/dbraw/zinc/33/60/65/860336065.db2.gz BICQRVNUVMKZJO-CQSZACIVSA-N 1 1 375.388 3.669 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552249652 860405844 /nfs/dbraw/zinc/40/58/44/860405844.db2.gz GWEUDGXCTHBBFY-YLJYHZDGSA-N 1 1 399.539 3.908 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000155335727 860482847 /nfs/dbraw/zinc/48/28/47/860482847.db2.gz BMHLLXXMMJFYKS-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001168734582 860574114 /nfs/dbraw/zinc/57/41/14/860574114.db2.gz YOGONWPTOSSWOM-UONOGXRCSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001168734582 860574122 /nfs/dbraw/zinc/57/41/22/860574122.db2.gz YOGONWPTOSSWOM-UONOGXRCSA-N 1 1 383.286 3.996 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155815216 860613233 /nfs/dbraw/zinc/61/32/33/860613233.db2.gz YOWIYCHEGNSWLD-INIZCTEOSA-N 1 1 395.463 3.804 20 5 GHBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000544369153 860736445 /nfs/dbraw/zinc/73/64/45/860736445.db2.gz ZKNWOIWIABLIDE-ZDUSSCGKSA-N 1 1 376.409 3.637 20 5 GHBDMO Cc1ccc(C(C)(C)C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000599070195 860776437 /nfs/dbraw/zinc/77/64/37/860776437.db2.gz WXRDFYBDECMFEN-LJQANCHMSA-N 1 1 379.464 3.689 20 5 GHBDMO CCNc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000599074858 860780905 /nfs/dbraw/zinc/78/09/05/860780905.db2.gz UVPYUSRMNAGXCJ-GOSISDBHSA-N 1 1 386.452 3.577 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c2c(c1)COCO2 ZINC000555686280 860851364 /nfs/dbraw/zinc/85/13/64/860851364.db2.gz DXOPKFTZUHNOME-GOSISDBHSA-N 1 1 390.823 3.768 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c2c(c1)COCO2 ZINC000555686280 860851383 /nfs/dbraw/zinc/85/13/83/860851383.db2.gz DXOPKFTZUHNOME-GOSISDBHSA-N 1 1 390.823 3.768 20 5 GHBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000603586113 860867254 /nfs/dbraw/zinc/86/72/54/860867254.db2.gz MHDJUIFWLKYCPE-ZDUSSCGKSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000603586113 860867263 /nfs/dbraw/zinc/86/72/63/860867263.db2.gz MHDJUIFWLKYCPE-ZDUSSCGKSA-N 1 1 385.247 3.773 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000603607883 860899092 /nfs/dbraw/zinc/89/90/92/860899092.db2.gz PKENLRBGUXZLDV-MRXNPFEDSA-N 1 1 399.447 3.610 20 5 GHBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555707919 860902864 /nfs/dbraw/zinc/90/28/64/860902864.db2.gz XBIZDYXUYNIPHG-SFHVURJKSA-N 1 1 392.463 3.788 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[NH+](CCCF)CC1 ZINC000600077108 860911207 /nfs/dbraw/zinc/91/12/07/860911207.db2.gz VPYKZDAHMOUOOO-UHFFFAOYSA-N 1 1 395.500 3.747 20 5 GHBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000603783721 861169683 /nfs/dbraw/zinc/16/96/83/861169683.db2.gz AJNBCSKFSJPMET-UHFFFAOYSA-N 1 1 397.406 3.828 20 5 GHBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000603783721 861169696 /nfs/dbraw/zinc/16/96/96/861169696.db2.gz AJNBCSKFSJPMET-UHFFFAOYSA-N 1 1 397.406 3.828 20 5 GHBDMO CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000522781276 863279175 /nfs/dbraw/zinc/27/91/75/863279175.db2.gz JAIBCFUTTLPWHC-APWZRJJASA-N 1 1 396.491 3.934 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000143243154 863707576 /nfs/dbraw/zinc/70/75/76/863707576.db2.gz JRFMKKARGSJPBM-CQSZACIVSA-N 1 1 396.472 3.886 20 5 GHBDMO COc1cccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000444299287 863835863 /nfs/dbraw/zinc/83/58/63/863835863.db2.gz UMVDSHQZBMAWEN-HNNXBMFYSA-N 1 1 399.447 3.576 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000609201510 881711033 /nfs/dbraw/zinc/71/10/33/881711033.db2.gz JOPCQIKEGQXHAU-KRWDZBQOSA-N 1 1 397.475 3.778 20 5 GHBDMO Cc1c(CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000480077397 863975626 /nfs/dbraw/zinc/97/56/26/863975626.db2.gz ZTUIOZWZLWBWLK-QGZVFWFLSA-N 1 1 396.491 3.709 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000475215837 864584313 /nfs/dbraw/zinc/58/43/13/864584313.db2.gz MBPIXQJTSVIFJM-YPMHNXCESA-N 1 1 388.390 3.950 20 5 GHBDMO COC(=O)c1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1[N+](=O)[O-] ZINC000480511557 864766801 /nfs/dbraw/zinc/76/68/01/864766801.db2.gz LOSQNDFQLCAKTP-KRWDZBQOSA-N 1 1 383.448 3.624 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3C)CC[N@H+]2C)cc1 ZINC000735900631 865041197 /nfs/dbraw/zinc/04/11/97/865041197.db2.gz IUMORXPNCKQBFO-OXJNMPFZSA-N 1 1 384.432 3.762 20 5 GHBDMO C[C@@H]([NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480797710 865290644 /nfs/dbraw/zinc/29/06/44/865290644.db2.gz QJLZIKPNZCCLTB-GCJKJVERSA-N 1 1 382.508 3.624 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000737677803 865416004 /nfs/dbraw/zinc/41/60/04/865416004.db2.gz GAVUCKNHEPFUPF-DOTOQJQBSA-N 1 1 385.439 3.859 20 5 GHBDMO COc1cccc([C@H]2[C@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000248732208 865591723 /nfs/dbraw/zinc/59/17/23/865591723.db2.gz LBXBWNKTHVGRQV-NQIIRXRSSA-N 1 1 395.459 3.620 20 5 GHBDMO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000608837115 865740692 /nfs/dbraw/zinc/74/06/92/865740692.db2.gz QNMPNYFBAWVWFC-IAGOWNOFSA-N 1 1 387.480 3.834 20 5 GHBDMO CCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555315206 865891913 /nfs/dbraw/zinc/89/19/13/865891913.db2.gz WLFXCCQRUYOHEP-UWJYYQICSA-N 1 1 381.476 3.821 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000534018924 865985010 /nfs/dbraw/zinc/98/50/10/865985010.db2.gz MISHWORJUGJKEJ-DOTOQJQBSA-N 1 1 393.365 3.789 20 5 GHBDMO C[C@H](OC[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000153094700 881927635 /nfs/dbraw/zinc/92/76/35/881927635.db2.gz LSVJMVQSHKWGDF-KSSFIOAISA-N 1 1 390.867 3.745 20 5 GHBDMO C[C@H](OC[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000153094700 881927651 /nfs/dbraw/zinc/92/76/51/881927651.db2.gz LSVJMVQSHKWGDF-KSSFIOAISA-N 1 1 390.867 3.745 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000475558616 866277814 /nfs/dbraw/zinc/27/78/14/866277814.db2.gz HBUCKPDUVOTZBL-INIZCTEOSA-N 1 1 386.448 3.956 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000015988769 866351570 /nfs/dbraw/zinc/35/15/70/866351570.db2.gz KGCHPBGVMXDRDN-MRXNPFEDSA-N 1 1 377.828 3.798 20 5 GHBDMO COc1ccc(COC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000741321367 866393390 /nfs/dbraw/zinc/39/33/90/866393390.db2.gz UREKHECDSTZBRP-GOSISDBHSA-N 1 1 384.432 3.559 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534255350 866406879 /nfs/dbraw/zinc/40/68/79/866406879.db2.gz BDSSYAYXWZHJNT-UHFFFAOYSA-N 1 1 380.448 3.717 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000475581287 866420989 /nfs/dbraw/zinc/42/09/89/866420989.db2.gz NVYFEZZOTCNDPL-QGZVFWFLSA-N 1 1 382.464 3.950 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000475581287 866420994 /nfs/dbraw/zinc/42/09/94/866420994.db2.gz NVYFEZZOTCNDPL-QGZVFWFLSA-N 1 1 382.464 3.950 20 5 GHBDMO COc1cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000534349831 866599696 /nfs/dbraw/zinc/59/96/96/866599696.db2.gz SSSGOLRHWUEIFP-QWRGUYRKSA-N 1 1 394.415 3.870 20 5 GHBDMO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(-n2cccn2)c1 ZINC000183590989 866876924 /nfs/dbraw/zinc/87/69/24/866876924.db2.gz KRNBEFQCQDMNPQ-CQSZACIVSA-N 1 1 390.403 3.681 20 5 GHBDMO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440485024 866963227 /nfs/dbraw/zinc/96/32/27/866963227.db2.gz HLIQVSYAIUBEIS-OCCSQVGLSA-N 1 1 378.379 3.839 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000793206194 882032907 /nfs/dbraw/zinc/03/29/07/882032907.db2.gz CIWUYTRAGQVMNX-HXUWFJFHSA-N 1 1 394.519 3.675 20 5 GHBDMO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000440504390 867000576 /nfs/dbraw/zinc/00/05/76/867000576.db2.gz WOHDJDMDKRUAFZ-GOEBONIOSA-N 1 1 394.435 3.596 20 5 GHBDMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000440504390 867000590 /nfs/dbraw/zinc/00/05/90/867000590.db2.gz WOHDJDMDKRUAFZ-GOEBONIOSA-N 1 1 394.435 3.596 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOc3ccc4ccccc4c3)C2)nc1 ZINC000440504351 867022709 /nfs/dbraw/zinc/02/27/09/867022709.db2.gz MCILXABDVMIGTJ-SFHVURJKSA-N 1 1 378.432 3.708 20 5 GHBDMO O=[N+]([O-])c1cn(C[NH+]2CCC(Cc3cccc(F)c3)CC2)nc1-c1ccncc1 ZINC000742146316 867080384 /nfs/dbraw/zinc/08/03/84/867080384.db2.gz XZNRTSUQIFSEFX-UHFFFAOYSA-N 1 1 395.438 3.905 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)nc1-c1ccncc1 ZINC000742147907 867081143 /nfs/dbraw/zinc/08/11/43/867081143.db2.gz PLQOVQFKLSWXTB-INIZCTEOSA-N 1 1 383.839 3.954 20 5 GHBDMO C[C@@H]1C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1c1ccccc1 ZINC000742165955 867088727 /nfs/dbraw/zinc/08/87/27/867088727.db2.gz MVAWWHRKGFAXFY-UZLBHIALSA-N 1 1 377.448 3.936 20 5 GHBDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000491229426 867137580 /nfs/dbraw/zinc/13/75/80/867137580.db2.gz VLUPIADHUWQYMK-UHFFFAOYSA-N 1 1 385.439 3.571 20 5 GHBDMO COc1ccc2c(c1)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C1CCCCC1)C2 ZINC000444747176 867171620 /nfs/dbraw/zinc/17/16/20/867171620.db2.gz IIELZFSWKGNSIK-LJQANCHMSA-N 1 1 384.480 3.844 20 5 GHBDMO COc1ccc2c(c1)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C1CCCCC1)C2 ZINC000444747176 867171629 /nfs/dbraw/zinc/17/16/29/867171629.db2.gz IIELZFSWKGNSIK-LJQANCHMSA-N 1 1 384.480 3.844 20 5 GHBDMO COc1cc(CNCC[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000742388327 867253846 /nfs/dbraw/zinc/25/38/46/867253846.db2.gz RXYYUAIOQQQXIC-KRWDZBQOSA-N 1 1 399.491 3.756 20 5 GHBDMO COc1cc(C[NH2+]CCN2CCC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000742388327 867253862 /nfs/dbraw/zinc/25/38/62/867253862.db2.gz RXYYUAIOQQQXIC-KRWDZBQOSA-N 1 1 399.491 3.756 20 5 GHBDMO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000523705100 867782383 /nfs/dbraw/zinc/78/23/83/867782383.db2.gz AIFIBUJVDMFFOG-OXQOHEQNSA-N 1 1 382.464 3.620 20 5 GHBDMO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@@H](O)C(F)(F)F ZINC000428396042 868042677 /nfs/dbraw/zinc/04/26/77/868042677.db2.gz BWYCMHKZPFSNCA-MRXNPFEDSA-N 1 1 388.342 3.609 20 5 GHBDMO CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@@H](O)C(F)(F)F ZINC000428396042 868042695 /nfs/dbraw/zinc/04/26/95/868042695.db2.gz BWYCMHKZPFSNCA-MRXNPFEDSA-N 1 1 388.342 3.609 20 5 GHBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000195366650 882170676 /nfs/dbraw/zinc/17/06/76/882170676.db2.gz XKCMCDKCHVXIFI-IBGZPJMESA-N 1 1 396.491 3.815 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000163557457 868277476 /nfs/dbraw/zinc/27/74/76/868277476.db2.gz WGXLKHDTJNEYLK-UHFFFAOYSA-N 1 1 375.856 3.889 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000535467464 868808405 /nfs/dbraw/zinc/80/84/05/868808405.db2.gz DPCAHUNOUWHPBE-IAGOWNOFSA-N 1 1 393.365 3.789 20 5 GHBDMO COc1cc(C[NH+]2CCC(OCc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000122163394 868912702 /nfs/dbraw/zinc/91/27/02/868912702.db2.gz BCPOFYDDTSGRAZ-UHFFFAOYSA-N 1 1 386.448 3.793 20 5 GHBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)C1 ZINC000744745803 869043730 /nfs/dbraw/zinc/04/37/30/869043730.db2.gz FFSABZDJWFTBTE-AWEZNQCLSA-N 1 1 387.411 3.707 20 5 GHBDMO C[C@@H](CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000445900348 869130773 /nfs/dbraw/zinc/13/07/73/869130773.db2.gz NZLMEZQSLNZRGT-KRWDZBQOSA-N 1 1 396.491 3.573 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000122228983 869147397 /nfs/dbraw/zinc/14/73/97/869147397.db2.gz WROIYOBEJAFMII-CALCHBBNSA-N 1 1 397.475 3.775 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000122228983 869147404 /nfs/dbraw/zinc/14/74/04/869147404.db2.gz WROIYOBEJAFMII-CALCHBBNSA-N 1 1 397.475 3.775 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000524645329 869374745 /nfs/dbraw/zinc/37/47/45/869374745.db2.gz NRTFFDDUICVHEJ-PXAZEXFGSA-N 1 1 377.441 3.608 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000745498049 869607014 /nfs/dbraw/zinc/60/70/14/869607014.db2.gz YKWOBSHFXUILNW-HNNXBMFYSA-N 1 1 385.439 3.896 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000446493898 869928427 /nfs/dbraw/zinc/92/84/27/869928427.db2.gz IMDZXKBIJUDWOJ-OXQOHEQNSA-N 1 1 382.464 3.935 20 5 GHBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000525267299 870272900 /nfs/dbraw/zinc/27/29/00/870272900.db2.gz MCSLBLRTDYTMOH-HNNXBMFYSA-N 1 1 387.402 3.608 20 5 GHBDMO COc1cccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3F)CCOCC2)c1F ZINC000446810096 870451403 /nfs/dbraw/zinc/45/14/03/870451403.db2.gz MPZSYGKJXWDEOR-UHFFFAOYSA-N 1 1 378.375 3.677 20 5 GHBDMO CCCCOc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000446837305 870456575 /nfs/dbraw/zinc/45/65/75/870456575.db2.gz WRRUGXVTXWGKHN-UHFFFAOYSA-N 1 1 384.436 3.948 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c2ccccc12 ZINC000538735607 870478322 /nfs/dbraw/zinc/47/83/22/870478322.db2.gz NFGDPWYHLIOGSK-MRXNPFEDSA-N 1 1 378.432 3.838 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccccc3OCc3ccncc3)nc2c1 ZINC000446833675 870512633 /nfs/dbraw/zinc/51/26/33/870512633.db2.gz DDSKZGJZDVDSSD-UHFFFAOYSA-N 1 1 389.415 3.735 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000525397787 870612295 /nfs/dbraw/zinc/61/22/95/870612295.db2.gz UANBIJDCLQSZPV-HIFRSBDPSA-N 1 1 388.493 3.663 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1)CC(C)C ZINC000540235897 870820951 /nfs/dbraw/zinc/82/09/51/870820951.db2.gz YQVZEAZFPXXVDL-UHFFFAOYSA-N 1 1 391.512 3.824 20 5 GHBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000181454354 871037511 /nfs/dbraw/zinc/03/75/11/871037511.db2.gz MMQPADFDZCEIDZ-UHFFFAOYSA-N 1 1 376.482 3.810 20 5 GHBDMO CC(C)(C)OC(=O)N1CCCC[C@]12CCC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169013414 871097293 /nfs/dbraw/zinc/09/72/93/871097293.db2.gz UXEGUDKSYLLWJD-ABSDTBQOSA-N 1 1 381.517 3.687 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](c2cccs2)C1 ZINC001169047896 871131055 /nfs/dbraw/zinc/13/10/55/871131055.db2.gz SKKYZXGDDRZFHH-XHSDSOJGSA-N 1 1 395.525 3.787 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](c2cccs2)C1 ZINC001169047896 871131058 /nfs/dbraw/zinc/13/10/58/871131058.db2.gz SKKYZXGDDRZFHH-XHSDSOJGSA-N 1 1 395.525 3.787 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1)C1CC1 ZINC000540430806 871257958 /nfs/dbraw/zinc/25/79/58/871257958.db2.gz XXXSQEMTGGADHP-UHFFFAOYSA-N 1 1 378.432 3.965 20 5 GHBDMO COc1cc(C[N@H+](C)[C@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000525786151 871438191 /nfs/dbraw/zinc/43/81/91/871438191.db2.gz QYPRHHIAONUOAP-OAHLLOKOSA-N 1 1 396.390 3.760 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000525786151 871438204 /nfs/dbraw/zinc/43/82/04/871438204.db2.gz QYPRHHIAONUOAP-OAHLLOKOSA-N 1 1 396.390 3.760 20 5 GHBDMO Cc1ccc(C[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000069833356 871597948 /nfs/dbraw/zinc/59/79/48/871597948.db2.gz ALYLGPWCBNRUCV-QZTJIDSGSA-N 1 1 383.492 3.802 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001169542494 871621315 /nfs/dbraw/zinc/62/13/15/871621315.db2.gz XDRQJDKJAKCZJK-DNVCBOLYSA-N 1 1 399.516 3.957 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000181994425 871715011 /nfs/dbraw/zinc/71/50/11/871715011.db2.gz LTZPCOUJOYOCJA-NSHDSACASA-N 1 1 379.363 3.561 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC[C@H]21 ZINC000618587930 871735201 /nfs/dbraw/zinc/73/52/01/871735201.db2.gz BKUFGZVBUVBNOG-WDEREUQCSA-N 1 1 394.344 3.564 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1OC ZINC000463453811 871784532 /nfs/dbraw/zinc/78/45/32/871784532.db2.gz LOTQQYNXLXQOST-RDJZCZTQSA-N 1 1 388.468 3.672 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](n3cccn3)C2)cc1OC ZINC000463453811 871784542 /nfs/dbraw/zinc/78/45/42/871784542.db2.gz LOTQQYNXLXQOST-RDJZCZTQSA-N 1 1 388.468 3.672 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000618665132 871814251 /nfs/dbraw/zinc/81/42/51/871814251.db2.gz GVIOPZRQQNZXGE-KRWDZBQOSA-N 1 1 389.499 3.818 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000552047950 871931802 /nfs/dbraw/zinc/93/18/02/871931802.db2.gz AVRHWWJGGGRHPK-HXUWFJFHSA-N 1 1 390.447 3.516 20 5 GHBDMO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001169864706 871969376 /nfs/dbraw/zinc/96/93/76/871969376.db2.gz RBHRTFXFGMNGQZ-KRWDZBQOSA-N 1 1 392.459 3.733 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000767117174 872273965 /nfs/dbraw/zinc/27/39/65/872273965.db2.gz APSHFCLRLWZBDR-UONOGXRCSA-N 1 1 389.402 3.608 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000767117174 872273981 /nfs/dbraw/zinc/27/39/81/872273981.db2.gz APSHFCLRLWZBDR-UONOGXRCSA-N 1 1 389.402 3.608 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4nccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000446832719 872359565 /nfs/dbraw/zinc/35/95/65/872359565.db2.gz DDMRIHUNKPXWED-HNNXBMFYSA-N 1 1 396.447 3.977 20 5 GHBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000767458882 872548814 /nfs/dbraw/zinc/54/88/14/872548814.db2.gz JAZMGOHOFHPZEK-JTQLQIEISA-N 1 1 399.329 3.639 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448026009 872685749 /nfs/dbraw/zinc/68/57/49/872685749.db2.gz GQQWGHKRKDNSFM-BEFAXECRSA-N 1 1 382.464 3.825 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448026009 872685754 /nfs/dbraw/zinc/68/57/54/872685754.db2.gz GQQWGHKRKDNSFM-BEFAXECRSA-N 1 1 382.464 3.825 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000619569432 872747462 /nfs/dbraw/zinc/74/74/62/872747462.db2.gz ANJLTHJGHGAYGT-NSISKUIASA-N 1 1 389.496 3.637 20 5 GHBDMO Cc1ccc(Sc2ccc(C[NH2+]CC(=O)NCC3CC3)cc2[N+](=O)[O-])cc1 ZINC000478324705 872837806 /nfs/dbraw/zinc/83/78/06/872837806.db2.gz DESZZLOAYGSJPD-UHFFFAOYSA-N 1 1 385.489 3.670 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC001196031024 872841860 /nfs/dbraw/zinc/84/18/60/872841860.db2.gz FXBPQJOSIUHKRD-GOSISDBHSA-N 1 1 398.459 3.915 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC001196031024 872841873 /nfs/dbraw/zinc/84/18/73/872841873.db2.gz FXBPQJOSIUHKRD-GOSISDBHSA-N 1 1 398.459 3.915 20 5 GHBDMO COc1ncncc1C(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001196535115 873187200 /nfs/dbraw/zinc/18/72/00/873187200.db2.gz CWSCCENCKIDRAD-UHFFFAOYSA-N 1 1 387.443 3.813 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000541318847 873361996 /nfs/dbraw/zinc/36/19/96/873361996.db2.gz IQTHOZMWXVUWQN-VLIAUNLRSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000541318847 873362010 /nfs/dbraw/zinc/36/20/10/873362010.db2.gz IQTHOZMWXVUWQN-VLIAUNLRSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000541391538 873501308 /nfs/dbraw/zinc/50/13/08/873501308.db2.gz YPKPAXGAEQVSGH-WBVHZDCISA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000541391538 873501314 /nfs/dbraw/zinc/50/13/14/873501314.db2.gz YPKPAXGAEQVSGH-WBVHZDCISA-N 1 1 383.448 3.728 20 5 GHBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541422815 873533995 /nfs/dbraw/zinc/53/39/95/873533995.db2.gz IFZUGSCWPQXQPK-KRWDZBQOSA-N 1 1 382.464 3.718 20 5 GHBDMO CCOC(=O)c1sc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)nc1C ZINC001197222662 873657965 /nfs/dbraw/zinc/65/79/65/873657965.db2.gz ZQCFDBDYIXXRLH-UHFFFAOYSA-N 1 1 389.477 3.916 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CCN2CCOCC2(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545317 873806525 /nfs/dbraw/zinc/80/65/25/873806525.db2.gz HENWVAASDJKQGM-HXUWFJFHSA-N 1 1 387.480 3.540 20 5 GHBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000769445150 874050815 /nfs/dbraw/zinc/05/08/15/874050815.db2.gz FNTLHKXRSHAFME-GFCCVEGCSA-N 1 1 381.226 3.838 20 5 GHBDMO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001197837466 874064852 /nfs/dbraw/zinc/06/48/52/874064852.db2.gz WTTVCFFAALXEHD-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cc(F)ccc1OC ZINC001197958781 874140841 /nfs/dbraw/zinc/14/08/41/874140841.db2.gz DMROWKLQKYNHJT-MRXNPFEDSA-N 1 1 375.400 3.730 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)nc2c1 ZINC000769773375 874269596 /nfs/dbraw/zinc/26/95/96/874269596.db2.gz XXFGFQRLVWVNJO-HNAYVOBHSA-N 1 1 384.411 3.698 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)nc2c1 ZINC000769773375 874269606 /nfs/dbraw/zinc/26/96/06/874269606.db2.gz XXFGFQRLVWVNJO-HNAYVOBHSA-N 1 1 384.411 3.698 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)nc2c1 ZINC000769773371 874269822 /nfs/dbraw/zinc/26/98/22/874269822.db2.gz XXFGFQRLVWVNJO-BEFAXECRSA-N 1 1 384.411 3.698 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)nc2c1 ZINC000769773371 874269833 /nfs/dbraw/zinc/26/98/33/874269833.db2.gz XXFGFQRLVWVNJO-BEFAXECRSA-N 1 1 384.411 3.698 20 5 GHBDMO CC(C)[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)COc1ccccc1 ZINC000770037465 874416992 /nfs/dbraw/zinc/41/69/92/874416992.db2.gz AJINHVBQUWETMD-MRXNPFEDSA-N 1 1 378.856 3.899 20 5 GHBDMO C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000464767525 874460542 /nfs/dbraw/zinc/46/05/42/874460542.db2.gz GGMDWBGECWUCMP-IERDGZPVSA-N 1 1 380.448 3.512 20 5 GHBDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000464793250 874523607 /nfs/dbraw/zinc/52/36/07/874523607.db2.gz ZYYMXOLXUSGDDU-CTNGQTDRSA-N 1 1 390.455 3.673 20 5 GHBDMO Cn1c[nH+]c2c1ccc1c2CCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001198676294 874575000 /nfs/dbraw/zinc/57/50/00/874575000.db2.gz MGGFUYJTGPEQCD-UHFFFAOYSA-N 1 1 399.838 3.526 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001198706563 874598180 /nfs/dbraw/zinc/59/81/80/874598180.db2.gz QGJNALROBQCUSQ-ZBFHGGJFSA-N 1 1 375.469 3.833 20 5 GHBDMO Cc1cccc(NC2CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c1 ZINC000153052112 874798205 /nfs/dbraw/zinc/79/82/05/874798205.db2.gz VZMUHXGFWJJAQW-OAQYLSRUSA-N 1 1 394.475 3.585 20 5 GHBDMO COc1ccc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000542034618 874820279 /nfs/dbraw/zinc/82/02/79/874820279.db2.gz JFNWBFWMONDHCF-INIZCTEOSA-N 1 1 398.463 3.732 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000449470436 874902040 /nfs/dbraw/zinc/90/20/40/874902040.db2.gz KFIRXEAOSOQFFL-UHFFFAOYSA-N 1 1 385.468 3.845 20 5 GHBDMO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449525948 875000882 /nfs/dbraw/zinc/00/08/82/875000882.db2.gz CUXIADJZSWOVDD-AWEZNQCLSA-N 1 1 394.518 3.722 20 5 GHBDMO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449525948 875000893 /nfs/dbraw/zinc/00/08/93/875000893.db2.gz CUXIADJZSWOVDD-AWEZNQCLSA-N 1 1 394.518 3.722 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000542209277 875185764 /nfs/dbraw/zinc/18/57/64/875185764.db2.gz AHDCRVFLGYRECW-SJORKVTESA-N 1 1 376.840 3.825 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCCO[C@H](c4ccccc4)C3)c2)cc1 ZINC000729851582 882914541 /nfs/dbraw/zinc/91/45/41/882914541.db2.gz RLBRGMMHZYIVPM-NRFANRHFSA-N 1 1 378.432 3.879 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCCO[C@H](c4ccccc4)C3)c2)cc1 ZINC000729851582 882914549 /nfs/dbraw/zinc/91/45/49/882914549.db2.gz RLBRGMMHZYIVPM-NRFANRHFSA-N 1 1 378.432 3.879 20 5 GHBDMO CC(C)OCCN1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001200971778 875420445 /nfs/dbraw/zinc/42/04/45/875420445.db2.gz PZTMDCQGPGWYCL-UHFFFAOYSA-N 1 1 387.480 3.834 20 5 GHBDMO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1=O ZINC000549908141 875856084 /nfs/dbraw/zinc/85/60/84/875856084.db2.gz XAIOVITYXYNEQS-BLLLJJGKSA-N 1 1 377.441 3.637 20 5 GHBDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000772602198 876048395 /nfs/dbraw/zinc/04/83/95/876048395.db2.gz XCTBVIFTCJMQJN-KRWDZBQOSA-N 1 1 382.529 3.754 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776280146 876170319 /nfs/dbraw/zinc/17/03/19/876170319.db2.gz WVERXSWGHKPWHR-NRFANRHFSA-N 1 1 398.438 3.722 20 5 GHBDMO O=C(NCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)OCc1ccccc1 ZINC000786105760 876447772 /nfs/dbraw/zinc/44/77/72/876447772.db2.gz AZGZJNGIOCXELH-UHFFFAOYSA-N 1 1 389.477 3.795 20 5 GHBDMO COc1cc(Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)c([N+](=O)[O-])cc1OCC(F)F ZINC000451000034 877208696 /nfs/dbraw/zinc/20/86/96/877208696.db2.gz MXDPSHHCJDJZEK-VXGBXAGGSA-N 1 1 395.406 3.863 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000477234749 877281722 /nfs/dbraw/zinc/28/17/22/877281722.db2.gz SCKINRDSWUJPCG-OAQYLSRUSA-N 1 1 381.476 3.554 20 5 GHBDMO CC[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000610039072 877321848 /nfs/dbraw/zinc/32/18/48/877321848.db2.gz KEAGGYZBYJPMQA-HXUWFJFHSA-N 1 1 395.503 3.826 20 5 GHBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000610046434 877328724 /nfs/dbraw/zinc/32/87/24/877328724.db2.gz KACLQQRGWQEKHZ-NRFANRHFSA-N 1 1 381.476 3.698 20 5 GHBDMO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)n2CC ZINC000451101471 877392437 /nfs/dbraw/zinc/39/24/37/877392437.db2.gz CWXGZMCNBRJFAY-AWEZNQCLSA-N 1 1 396.447 3.992 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000551556996 877429518 /nfs/dbraw/zinc/42/95/18/877429518.db2.gz AWNYJYKLBXEQDA-KXBFYZLASA-N 1 1 387.480 3.956 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477326341 877435554 /nfs/dbraw/zinc/43/55/54/877435554.db2.gz XYOPGYZJWZLPBJ-INIZCTEOSA-N 1 1 399.466 3.967 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451311767 877759459 /nfs/dbraw/zinc/75/94/59/877759459.db2.gz TVDZTMJYVSKGRQ-INIZCTEOSA-N 1 1 384.354 3.836 20 5 GHBDMO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cc(F)ccc1F ZINC000179782483 878003255 /nfs/dbraw/zinc/00/32/55/878003255.db2.gz GKOCGCGZVYTFEA-HNNXBMFYSA-N 1 1 379.363 3.561 20 5 GHBDMO CCc1nc2ccccc2n1C1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000179874738 878135107 /nfs/dbraw/zinc/13/51/07/878135107.db2.gz YSWSTBMFQAHDLX-UHFFFAOYSA-N 1 1 382.468 3.615 20 5 GHBDMO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001170086377 878168731 /nfs/dbraw/zinc/16/87/31/878168731.db2.gz SBXIBKCTXIMORQ-PXNSSMCTSA-N 1 1 389.496 3.860 20 5 GHBDMO C[C@@H](NC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOCC1)c1ccccc1 ZINC000788600029 878197078 /nfs/dbraw/zinc/19/70/78/878197078.db2.gz BGTKKBYJFLXSMH-DLBZAZTESA-N 1 1 398.507 3.728 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000852319162 878235153 /nfs/dbraw/zinc/23/51/53/878235153.db2.gz ZFPSMTYNDRWCAU-PMACEKPBSA-N 1 1 398.459 3.569 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000776590732 878276381 /nfs/dbraw/zinc/27/63/81/878276381.db2.gz FUEKXMQOHMKIOT-BHIFYINESA-N 1 1 384.476 3.997 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451839477 878554407 /nfs/dbraw/zinc/55/44/07/878554407.db2.gz CNVUGQQNRKGBDY-LJQANCHMSA-N 1 1 385.420 3.752 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000538142916 878888381 /nfs/dbraw/zinc/88/83/81/878888381.db2.gz DPEVJAWFUZFDET-NEPJUHHUSA-N 1 1 379.363 3.874 20 5 GHBDMO COc1cc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)ccc1OCc1ccccc1 ZINC000538153076 878921677 /nfs/dbraw/zinc/92/16/77/878921677.db2.gz LNEGPINPZRBVFX-OAHLLOKOSA-N 1 1 396.447 3.767 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452171061 879038068 /nfs/dbraw/zinc/03/80/68/879038068.db2.gz JRSDZEHBIBRYHL-HNNXBMFYSA-N 1 1 391.537 3.899 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[NH2+]CCCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000520206107 880213535 /nfs/dbraw/zinc/21/35/35/880213535.db2.gz YCHLCSAQKTXIOJ-UHFFFAOYSA-N 1 1 398.507 3.565 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2c(Cl)c1 ZINC000774640084 912584809 /nfs/dbraw/zinc/58/48/09/912584809.db2.gz PHULSWASKCBSIE-SCLBCKFNSA-N 1 1 389.887 3.504 20 5 GHBDMO CCOc1ccc([C@H](C)[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000453289584 880730826 /nfs/dbraw/zinc/73/08/26/880730826.db2.gz TYNDQIDKBNPHBX-GJZGRUSLSA-N 1 1 377.485 3.668 20 5 GHBDMO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000792364697 881057343 /nfs/dbraw/zinc/05/73/43/881057343.db2.gz ITSZCZDRINZZTQ-NRFANRHFSA-N 1 1 380.448 3.547 20 5 GHBDMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000792364697 881057360 /nfs/dbraw/zinc/05/73/60/881057360.db2.gz ITSZCZDRINZZTQ-NRFANRHFSA-N 1 1 380.448 3.547 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)C/C(C)=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000494234853 881315231 /nfs/dbraw/zinc/31/52/31/881315231.db2.gz RUXLOCOHHIKPLM-SSZFMOIBSA-N 1 1 383.448 3.967 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000286397893 912728196 /nfs/dbraw/zinc/72/81/96/912728196.db2.gz JPIFPSOIMAMWFF-GFCCVEGCSA-N 1 1 384.465 3.516 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNc2ccncc2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000609797761 883658674 /nfs/dbraw/zinc/65/86/74/883658674.db2.gz RIFFWVWAJIOJRB-KSSFIOAISA-N 1 1 394.397 3.926 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000509504225 883788186 /nfs/dbraw/zinc/78/81/86/883788186.db2.gz RJDWYHDNNAFBPN-FXAWDEMLSA-N 1 1 396.491 3.739 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)cn1 ZINC000761912005 884956144 /nfs/dbraw/zinc/95/61/44/884956144.db2.gz PFWHRSZHIIDJEK-UHFFFAOYSA-N 1 1 382.767 3.854 20 5 GHBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000498719878 885474991 /nfs/dbraw/zinc/47/49/91/885474991.db2.gz GHJGEANLUVAGFR-OAHLLOKOSA-N 1 1 385.489 3.912 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C(C)C)c([N+](=O)[O-])c1 ZINC000532490954 885795391 /nfs/dbraw/zinc/79/53/91/885795391.db2.gz ZQGJQYRZGVCZSU-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C(C)C)c([N+](=O)[O-])c1 ZINC000532490954 885795404 /nfs/dbraw/zinc/79/54/04/885795404.db2.gz ZQGJQYRZGVCZSU-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2c1 ZINC000301057348 885803043 /nfs/dbraw/zinc/80/30/43/885803043.db2.gz AEHUUCQLEBCNDL-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO Cc1ccccc1OCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532483272 885806605 /nfs/dbraw/zinc/80/66/05/885806605.db2.gz HEOCYBNJCWQUBO-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO Cc1ccccc1OCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532483272 885806625 /nfs/dbraw/zinc/80/66/25/885806625.db2.gz HEOCYBNJCWQUBO-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000532489500 885826792 /nfs/dbraw/zinc/82/67/92/885826792.db2.gz AZKOFMQUSSGAHU-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000532489500 885826806 /nfs/dbraw/zinc/82/68/06/885826806.db2.gz AZKOFMQUSSGAHU-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000532585833 886188815 /nfs/dbraw/zinc/18/88/15/886188815.db2.gz VOZFZTBZUKALMM-KRWDZBQOSA-N 1 1 385.439 3.936 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)ccc2c1 ZINC000301073334 886423495 /nfs/dbraw/zinc/42/34/95/886423495.db2.gz DTGHWYHCBLJRDM-FQEVSTJZSA-N 1 1 378.432 3.628 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000032429072 886433462 /nfs/dbraw/zinc/43/34/62/886433462.db2.gz BIUVYPLJPNOJEK-LBPRGKRZSA-N 1 1 391.518 3.555 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000032429072 886433479 /nfs/dbraw/zinc/43/34/79/886433479.db2.gz BIUVYPLJPNOJEK-LBPRGKRZSA-N 1 1 391.518 3.555 20 5 GHBDMO Cc1nn(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000863303539 887018284 /nfs/dbraw/zinc/01/82/84/887018284.db2.gz VPDWQQOKOLZXIA-BBRMVZONSA-N 1 1 388.468 3.510 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000863303539 887018295 /nfs/dbraw/zinc/01/82/95/887018295.db2.gz VPDWQQOKOLZXIA-BBRMVZONSA-N 1 1 388.468 3.510 20 5 GHBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272346746 887137412 /nfs/dbraw/zinc/13/74/12/887137412.db2.gz QGNSGJNQQJGQAX-FXAWDEMLSA-N 1 1 381.476 3.554 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000153261675 887227298 /nfs/dbraw/zinc/22/72/98/887227298.db2.gz LHLOFYWVRGAWIB-OAHLLOKOSA-N 1 1 386.448 3.781 20 5 GHBDMO Cn1c[nH+]cc1C1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC001184364193 913149003 /nfs/dbraw/zinc/14/90/03/913149003.db2.gz NYHIRAWTMWJOEW-UHFFFAOYSA-N 1 1 385.287 3.532 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794640784 887672379 /nfs/dbraw/zinc/67/23/79/887672379.db2.gz SECJTPNECUOQAN-SUMWQHHRSA-N 1 1 383.404 3.552 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794640784 887672393 /nfs/dbraw/zinc/67/23/93/887672393.db2.gz SECJTPNECUOQAN-SUMWQHHRSA-N 1 1 383.404 3.552 20 5 GHBDMO COc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000194026587 887966102 /nfs/dbraw/zinc/96/61/02/887966102.db2.gz XFYMYEAYIDSOJU-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272695806 888420539 /nfs/dbraw/zinc/42/05/39/888420539.db2.gz HRAWAOBMCBMTJY-OLZOCXBDSA-N 1 1 399.413 3.996 20 5 GHBDMO COc1cc(C)c(C[N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000121067557 888877735 /nfs/dbraw/zinc/87/77/35/888877735.db2.gz XGDSKOLRQPNJFC-UHFFFAOYSA-N 1 1 384.436 3.668 20 5 GHBDMO COc1cc(C)c(C[N@@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000121067557 888877746 /nfs/dbraw/zinc/87/77/46/888877746.db2.gz XGDSKOLRQPNJFC-UHFFFAOYSA-N 1 1 384.436 3.668 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000811473335 889657473 /nfs/dbraw/zinc/65/74/73/889657473.db2.gz VYLSQXMROVAYBT-UHFFFAOYSA-N 1 1 378.219 3.772 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533299574 890246408 /nfs/dbraw/zinc/24/64/08/890246408.db2.gz OKFGWUJRCNSRTJ-QGZVFWFLSA-N 1 1 385.439 3.936 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000872065187 891135340 /nfs/dbraw/zinc/13/53/40/891135340.db2.gz VGVDSCWHGBRWTE-JTQLQIEISA-N 1 1 386.520 3.633 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278774 891224378 /nfs/dbraw/zinc/22/43/78/891224378.db2.gz AIEDWYBXFSXIRQ-GOSISDBHSA-N 1 1 375.469 3.655 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813097432 891271338 /nfs/dbraw/zinc/27/13/38/891271338.db2.gz GWIJGFHQOWPNOU-OAHLLOKOSA-N 1 1 380.231 3.818 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813097432 891271345 /nfs/dbraw/zinc/27/13/45/891271345.db2.gz GWIJGFHQOWPNOU-OAHLLOKOSA-N 1 1 380.231 3.818 20 5 GHBDMO COc1ccc([C@@H](C)CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813170205 891329208 /nfs/dbraw/zinc/32/92/08/891329208.db2.gz JSUITDLNDAVEQA-KKSFZXQISA-N 1 1 398.459 3.915 20 5 GHBDMO COc1ccc([C@@H](C)CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813170205 891329226 /nfs/dbraw/zinc/32/92/26/891329226.db2.gz JSUITDLNDAVEQA-KKSFZXQISA-N 1 1 398.459 3.915 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]CC(=O)Nc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000237424989 891700904 /nfs/dbraw/zinc/70/09/04/891700904.db2.gz SLTIXYFPKYSRLG-UHFFFAOYSA-N 1 1 399.378 3.731 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000813823147 891996246 /nfs/dbraw/zinc/99/62/46/891996246.db2.gz FWAZWRNGAONLOM-WBEPFGQESA-N 1 1 379.460 3.777 20 5 GHBDMO COc1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC001185089053 913630001 /nfs/dbraw/zinc/63/00/01/913630001.db2.gz ULHZROBPFFJVJW-QGZVFWFLSA-N 1 1 385.464 3.936 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000026356650 892541829 /nfs/dbraw/zinc/54/18/29/892541829.db2.gz MOCUEZSRJZSYRU-KRWDZBQOSA-N 1 1 399.516 3.810 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000825831358 892885623 /nfs/dbraw/zinc/88/56/23/892885623.db2.gz WNGWWPUUZGBISP-HUUCEWRRSA-N 1 1 379.888 3.975 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC000814678856 893063536 /nfs/dbraw/zinc/06/35/36/893063536.db2.gz YKEYSHYAZZMRRC-IYBDPMFKSA-N 1 1 375.469 3.674 20 5 GHBDMO CCOc1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000428679821 893217727 /nfs/dbraw/zinc/21/77/27/893217727.db2.gz KFLYRMXEUITTID-SFHVURJKSA-N 1 1 385.464 3.697 20 5 GHBDMO Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000814915698 893290126 /nfs/dbraw/zinc/29/01/26/893290126.db2.gz DZDYBWNUUNPPRM-SFHVURJKSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934836609 893964221 /nfs/dbraw/zinc/96/42/21/893964221.db2.gz CTICWEYULRPWQI-DJIMGWMZSA-N 1 1 386.452 3.844 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878162394 894062566 /nfs/dbraw/zinc/06/25/66/894062566.db2.gz DWPUYAVHJWWSSX-GXTWGEPZSA-N 1 1 393.875 3.603 20 5 GHBDMO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000878163090 894062707 /nfs/dbraw/zinc/06/27/07/894062707.db2.gz MJZMSMUBSFFXPM-KRWDZBQOSA-N 1 1 393.447 3.746 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563759045 894154698 /nfs/dbraw/zinc/15/46/98/894154698.db2.gz VPEOIJRNWLETFG-LAUBAEHRSA-N 1 1 396.491 3.606 20 5 GHBDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878437262 894289750 /nfs/dbraw/zinc/28/97/50/894289750.db2.gz SPCJIURYIUYIEF-AWEZNQCLSA-N 1 1 399.476 3.585 20 5 GHBDMO Cc1ccc2snc(C(=O)O[C@H]3CC[N@H+](Cc4cccc([N+](=O)[O-])c4)C3)c2c1 ZINC000816093023 894471571 /nfs/dbraw/zinc/47/15/71/894471571.db2.gz XZTLZPVHTJYZNM-INIZCTEOSA-N 1 1 397.456 3.944 20 5 GHBDMO Cc1ccc2snc(C(=O)O[C@H]3CC[N@@H+](Cc4cccc([N+](=O)[O-])c4)C3)c2c1 ZINC000816093023 894471581 /nfs/dbraw/zinc/47/15/81/894471581.db2.gz XZTLZPVHTJYZNM-INIZCTEOSA-N 1 1 397.456 3.944 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000564313315 894853937 /nfs/dbraw/zinc/85/39/37/894853937.db2.gz UJXRPGCHLLIRFV-FERLCFGISA-N 1 1 380.492 3.990 20 5 GHBDMO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000816635347 895015935 /nfs/dbraw/zinc/01/59/35/895015935.db2.gz LOBJIOHNCJQOLO-KRWDZBQOSA-N 1 1 378.425 3.656 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000816893772 895167790 /nfs/dbraw/zinc/16/77/90/895167790.db2.gz CMCITIXGVFDXTL-UHFFFAOYSA-N 1 1 379.888 3.976 20 5 GHBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000564713566 895206044 /nfs/dbraw/zinc/20/60/44/895206044.db2.gz RHKIKYDIBPRVLW-HOTGVXAUSA-N 1 1 387.505 3.788 20 5 GHBDMO COC(=O)Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001185554461 913949172 /nfs/dbraw/zinc/94/91/72/913949172.db2.gz BXLBVVQLDMKFKW-QFBILLFUSA-N 1 1 397.475 3.633 20 5 GHBDMO Cc1csc([C@@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000880007542 895446456 /nfs/dbraw/zinc/44/64/56/895446456.db2.gz JCBOCFOAKXQWJO-TZMCWYRMSA-N 1 1 385.449 3.960 20 5 GHBDMO C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000565795094 895885767 /nfs/dbraw/zinc/88/57/67/895885767.db2.gz JAOOQVDFQBXNCO-UZLBHIALSA-N 1 1 381.476 3.652 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(Cn2cc(C[NH2+][C@H]3CCCc4ccccc43)nn2)c(F)c1 ZINC000881354178 896305755 /nfs/dbraw/zinc/30/57/55/896305755.db2.gz WEINDIZIXHENHS-FQEVSTJZSA-N 1 1 399.401 3.680 20 5 GHBDMO CCC[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001185932028 914211129 /nfs/dbraw/zinc/21/11/29/914211129.db2.gz ZINUUGVCBZKCOX-KRWDZBQOSA-N 1 1 384.436 3.994 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000466826050 914226448 /nfs/dbraw/zinc/22/64/48/914226448.db2.gz ZRAKCJJAIKSAGM-LPHOPBHVSA-N 1 1 396.491 3.932 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1F ZINC000822322545 898299732 /nfs/dbraw/zinc/29/97/32/898299732.db2.gz NIVQUXMBMBZMGJ-UHFFFAOYSA-N 1 1 391.418 3.952 20 5 GHBDMO O=[N+]([O-])c1cc(CO)c(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1F ZINC001186010335 914247547 /nfs/dbraw/zinc/24/75/47/914247547.db2.gz XNHIOVQJYSNRGP-UHFFFAOYSA-N 1 1 399.466 3.719 20 5 GHBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000110384095 898698812 /nfs/dbraw/zinc/69/88/12/898698812.db2.gz DOBJPNXGCQWUDM-AYHJJNSGSA-N 1 1 383.423 3.659 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[N@@H+](CC)C[C@H]2C)cc1OC ZINC001170997133 898717871 /nfs/dbraw/zinc/71/78/71/898717871.db2.gz GRQLEZRIXZLDPG-IAGOWNOFSA-N 1 1 393.528 3.944 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)CC2 ZINC000155445170 898787867 /nfs/dbraw/zinc/78/78/67/898787867.db2.gz MPJJWWQFCLVYCU-KRWDZBQOSA-N 1 1 380.366 3.575 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000569863199 898992032 /nfs/dbraw/zinc/99/20/32/898992032.db2.gz MNYJFVFRWAQVPA-UAPYVXQJSA-N 1 1 386.448 3.615 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)o1 ZINC000289722324 914314375 /nfs/dbraw/zinc/31/43/75/914314375.db2.gz PJYZCXOGMANYMM-IUODEOHRSA-N 1 1 384.354 3.848 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000570833451 899626033 /nfs/dbraw/zinc/62/60/33/899626033.db2.gz YHZDRNZRBRKMHN-IBGZPJMESA-N 1 1 380.423 3.878 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2CCn3ccnc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000824521787 899658387 /nfs/dbraw/zinc/65/83/87/899658387.db2.gz OIWSCDGIBXCATQ-GOSISDBHSA-N 1 1 394.431 3.614 20 5 GHBDMO COCOc1ccc(OC)cc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824820545 899827284 /nfs/dbraw/zinc/82/72/84/899827284.db2.gz HMMFXDURXZBJFY-KRWDZBQOSA-N 1 1 386.448 3.966 20 5 GHBDMO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1n1cccn1 ZINC000825118523 899989981 /nfs/dbraw/zinc/98/99/81/899989981.db2.gz TWFFBLFHJCHYHY-ZACQAIPSSA-N 1 1 378.860 3.732 20 5 GHBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC001186325630 914437633 /nfs/dbraw/zinc/43/76/33/914437633.db2.gz PHWKZQYNNMBORN-AWEZNQCLSA-N 1 1 380.370 3.943 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136739515 900746526 /nfs/dbraw/zinc/74/65/26/900746526.db2.gz AAAUBCNJKNHCLI-CYBMUJFWSA-N 1 1 393.896 3.952 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@](O)(c4ccc(Cl)cc4)C3)nc2c1 ZINC000844376205 900802980 /nfs/dbraw/zinc/80/29/80/900802980.db2.gz SGXGAFUGBOKKLQ-IBGZPJMESA-N 1 1 386.839 3.608 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@](O)(c4ccc(Cl)cc4)C3)nc2c1 ZINC000844376205 900802986 /nfs/dbraw/zinc/80/29/86/900802986.db2.gz SGXGAFUGBOKKLQ-IBGZPJMESA-N 1 1 386.839 3.608 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000574348026 900854230 /nfs/dbraw/zinc/85/42/30/900854230.db2.gz PLPBKNVWBUTXSF-MPGHIAIKSA-N 1 1 391.537 3.898 20 5 GHBDMO COc1ccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000575753509 901276418 /nfs/dbraw/zinc/27/64/18/901276418.db2.gz VNWLLBIGLNBXLX-QGZVFWFLSA-N 1 1 389.521 3.927 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C)cc1 ZINC000575781383 901294170 /nfs/dbraw/zinc/29/41/70/901294170.db2.gz CIKWUOXWHXXQJS-SFHVURJKSA-N 1 1 388.464 3.644 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000576218618 901825836 /nfs/dbraw/zinc/82/58/36/901825836.db2.gz MVDSWJICOIWXAT-OAHLLOKOSA-N 1 1 385.489 3.818 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000576243366 901859378 /nfs/dbraw/zinc/85/93/78/901859378.db2.gz DUQNKIUYHFMORE-HNNXBMFYSA-N 1 1 399.274 3.816 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778951288 902159944 /nfs/dbraw/zinc/15/99/44/902159944.db2.gz JOZXJFKPIQPQJN-GDBMZVCRSA-N 1 1 393.484 3.729 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778981758 902490388 /nfs/dbraw/zinc/49/03/88/902490388.db2.gz QLBVJHALEYLAGW-LSDHHAIUSA-N 1 1 393.484 3.729 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000577211245 902593036 /nfs/dbraw/zinc/59/30/36/902593036.db2.gz SPLNVOBUUMMBTF-XUJQIHCRSA-N 1 1 386.496 3.991 20 5 GHBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000887613478 903147056 /nfs/dbraw/zinc/14/70/56/903147056.db2.gz DYZPOYFACPHKBF-UHFFFAOYSA-N 1 1 395.459 3.528 20 5 GHBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000132379935 903248336 /nfs/dbraw/zinc/24/83/36/903248336.db2.gz VIJWHNLATHSNSB-APWZRJJASA-N 1 1 397.475 3.729 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000132563716 903276599 /nfs/dbraw/zinc/27/65/99/903276599.db2.gz KEWULKWJBOLGIA-SJCJKPOMSA-N 1 1 397.397 3.703 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccc(C)cc1O ZINC001148500566 904099750 /nfs/dbraw/zinc/09/97/50/904099750.db2.gz PTMHOYDKPVERFT-UHFFFAOYSA-N 1 1 387.439 3.957 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174860377 905375893 /nfs/dbraw/zinc/37/58/93/905375893.db2.gz WWGAEVAHSYXICC-MRXNPFEDSA-N 1 1 382.468 3.602 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905939 905932103 /nfs/dbraw/zinc/93/21/03/905932103.db2.gz VIVJDPBFLCQBRM-GOSISDBHSA-N 1 1 389.496 3.785 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@H]3CN(Cc4ccccc4)C[C@H]3C1)CC2 ZINC001172913605 905984925 /nfs/dbraw/zinc/98/49/25/905984925.db2.gz SPVSCNCHVVJUKE-ZRBLBEILSA-N 1 1 391.515 3.906 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H]3CN(Cc4ccccc4)C[C@H]3C1)CC2 ZINC001172913605 905984935 /nfs/dbraw/zinc/98/49/35/905984935.db2.gz SPVSCNCHVVJUKE-ZRBLBEILSA-N 1 1 391.515 3.906 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909678 906016608 /nfs/dbraw/zinc/01/66/08/906016608.db2.gz UWEFUQGXIIHHAZ-ZWKOTPCHSA-N 1 1 389.496 3.831 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@H](c4cccnc4)C3)CC2)c(F)c1 ZINC001173018641 906095631 /nfs/dbraw/zinc/09/56/31/906095631.db2.gz YCGJBZNFNQOBFJ-HNNXBMFYSA-N 1 1 388.418 3.726 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@H](Oc3cccnc3)C2)c1F ZINC001173189223 906270260 /nfs/dbraw/zinc/27/02/60/906270260.db2.gz JPNBFBVFZGZBNK-ZBFHGGJFSA-N 1 1 389.427 3.612 20 5 GHBDMO CCOC(=O)C[C@@H]1CC[N@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC001173191258 906272472 /nfs/dbraw/zinc/27/24/72/906272472.db2.gz BZYGLBHKLZPDLU-KFWWJZLASA-N 1 1 396.459 3.585 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173225349 906306830 /nfs/dbraw/zinc/30/68/30/906306830.db2.gz JJCWZJXUPXFFDW-IRXDYDNUSA-N 1 1 385.512 3.639 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001173228441 906311022 /nfs/dbraw/zinc/31/10/22/906311022.db2.gz RFVHOMRRGCBHGX-FBEWHJACSA-N 1 1 397.475 3.622 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173231745 906316605 /nfs/dbraw/zinc/31/66/05/906316605.db2.gz CWSWCIJFJDFGNO-VYDXJSESSA-N 1 1 377.485 3.761 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001173233290 906319183 /nfs/dbraw/zinc/31/91/83/906319183.db2.gz HYVRMEQCYJCDSG-SJKOYZFVSA-N 1 1 378.270 3.578 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001173237448 906348548 /nfs/dbraw/zinc/34/85/48/906348548.db2.gz JYXWFHQPPXLWDT-FXAWDEMLSA-N 1 1 382.460 3.981 20 5 GHBDMO CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173238103 906348567 /nfs/dbraw/zinc/34/85/67/906348567.db2.gz NFRHMEDDTMRGOY-AUSIDOKSSA-N 1 1 397.519 3.749 20 5 GHBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000299265504 921273730 /nfs/dbraw/zinc/27/37/30/921273730.db2.gz WJKAHGUNYBJZOJ-UHFFFAOYSA-N 1 1 399.495 3.893 20 5 GHBDMO CC(C)[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001174574772 907092319 /nfs/dbraw/zinc/09/23/19/907092319.db2.gz OEMUVAQPQSJQNS-QFIPXVFZSA-N 1 1 383.492 3.816 20 5 GHBDMO OCC[NH+]1CCN(c2cc(Nc3cc4ccccc4c4ccccc34)ncn2)CC1 ZINC001175112963 907363121 /nfs/dbraw/zinc/36/31/21/907363121.db2.gz NKHHSNXMWBEKHK-UHFFFAOYSA-N 1 1 399.498 3.641 20 5 GHBDMO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185713436 907820423 /nfs/dbraw/zinc/82/04/23/907820423.db2.gz BGLFRZKLKONXNL-ZMSDIMECSA-N 1 1 399.495 3.948 20 5 GHBDMO Nc1ccc2n(-c3ccc(CC[NH+]4CCOCC4)cc3)c3ccccc3cc-2c1=O ZINC001176385979 908063555 /nfs/dbraw/zinc/06/35/55/908063555.db2.gz NYJQPSLZDHLGNM-UHFFFAOYSA-N 1 1 399.494 3.552 20 5 GHBDMO CN1CCN(c2ccc(Nc3ccc4cc5ccc(N)cc5[nH+]c4c3)cn2)CC1 ZINC001176660282 908224722 /nfs/dbraw/zinc/22/47/22/908224722.db2.gz ORWATWJJXUUULV-UHFFFAOYSA-N 1 1 384.487 3.861 20 5 GHBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000773598224 908318914 /nfs/dbraw/zinc/31/89/14/908318914.db2.gz HZWCEPZHTSIQNS-UHFFFAOYSA-N 1 1 375.428 3.823 20 5 GHBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176971391 908338322 /nfs/dbraw/zinc/33/83/22/908338322.db2.gz QFTGQFVZFWSHRI-UHFFFAOYSA-N 1 1 393.484 3.553 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000773692419 908659099 /nfs/dbraw/zinc/65/90/99/908659099.db2.gz DOBKQSMJLJEXAI-RBSFLKMASA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000773692419 908659103 /nfs/dbraw/zinc/65/91/03/908659103.db2.gz DOBKQSMJLJEXAI-RBSFLKMASA-N 1 1 395.887 3.714 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)o1 ZINC001177804774 908764531 /nfs/dbraw/zinc/76/45/31/908764531.db2.gz RKYSUQRLKCZSHC-GOSISDBHSA-N 1 1 385.464 3.588 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000192596551 908802669 /nfs/dbraw/zinc/80/26/69/908802669.db2.gz WRUVAXGCBCIUOE-AEFFLSMTSA-N 1 1 397.475 3.729 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000718021542 909078173 /nfs/dbraw/zinc/07/81/73/909078173.db2.gz WQFYXHWXBYLWOV-SFHVURJKSA-N 1 1 387.867 3.889 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001179502348 909572367 /nfs/dbraw/zinc/57/23/67/909572367.db2.gz NZRVXPKXSLNUPG-HDJSIYSDSA-N 1 1 389.477 3.928 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])cc1OC ZINC000245736233 909869533 /nfs/dbraw/zinc/86/95/33/909869533.db2.gz FQYCZXAGLPJHMP-GOEBONIOSA-N 1 1 392.477 3.762 20 5 GHBDMO CC(C)[C@@H]1CCC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795445905 910337191 /nfs/dbraw/zinc/33/71/91/910337191.db2.gz FGHKHWLBQWRJID-GFCCVEGCSA-N 1 1 396.285 3.639 20 5 GHBDMO CC(C)[C@@H]1CCC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795445905 910337208 /nfs/dbraw/zinc/33/72/08/910337208.db2.gz FGHKHWLBQWRJID-GFCCVEGCSA-N 1 1 396.285 3.639 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001186923439 914904619 /nfs/dbraw/zinc/90/46/19/914904619.db2.gz VVIPIJJGOBLMAM-UXHICEINSA-N 1 1 387.867 3.728 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CC[N@H+]3C3CCCCCC3)c2c1 ZINC001187361463 915195130 /nfs/dbraw/zinc/19/51/30/915195130.db2.gz LDYFHBZRMGRHJU-MRXNPFEDSA-N 1 1 384.480 3.783 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293525783 916245777 /nfs/dbraw/zinc/24/57/77/916245777.db2.gz PCNAMJWXCWLXTO-ZDUSSCGKSA-N 1 1 387.402 3.998 20 5 GHBDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001191212900 917826763 /nfs/dbraw/zinc/82/67/63/917826763.db2.gz DSTNMJUVZPWFJC-AABGKKOBSA-N 1 1 384.476 3.911 20 5 GHBDMO O=C(C1CC1)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000119057085 919604116 /nfs/dbraw/zinc/60/41/16/919604116.db2.gz KHSNADMLXFCIBP-UHFFFAOYSA-N 1 1 385.489 3.768 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000119280877 919614627 /nfs/dbraw/zinc/61/46/27/919614627.db2.gz WSRBXLKYMILIEU-LBPRGKRZSA-N 1 1 379.810 3.954 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)/C=C(\C)c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000800569434 920279252 /nfs/dbraw/zinc/27/92/52/920279252.db2.gz NTTBJCFWMWPVOD-DGWAXEAPSA-N 1 1 379.460 3.734 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(N4CCc5cc(F)ccc54)CC3)c2c1 ZINC000800853583 920531039 /nfs/dbraw/zinc/53/10/39/920531039.db2.gz SRTOLYKQNKBJNP-UHFFFAOYSA-N 1 1 395.438 3.568 20 5 GHBDMO CC[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000827798474 926008018 /nfs/dbraw/zinc/00/80/18/926008018.db2.gz OTQGRSSSWGWOPZ-DOTOQJQBSA-N 1 1 385.867 3.566 20 5 GHBDMO CC[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000827798474 926008025 /nfs/dbraw/zinc/00/80/25/926008025.db2.gz OTQGRSSSWGWOPZ-DOTOQJQBSA-N 1 1 385.867 3.566 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000411169318 926162819 /nfs/dbraw/zinc/16/28/19/926162819.db2.gz CWSKRMKSEYFSRZ-ZDUSSCGKSA-N 1 1 375.400 3.764 20 5 GHBDMO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000411479674 926443835 /nfs/dbraw/zinc/44/38/35/926443835.db2.gz WDBQUYUNZIXDIK-ZDUSSCGKSA-N 1 1 387.436 3.558 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000725800295 926445372 /nfs/dbraw/zinc/44/53/72/926445372.db2.gz HXHOBHCVBBHNLJ-UHFFFAOYSA-N 1 1 375.469 3.959 20 5 GHBDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000725811414 926452302 /nfs/dbraw/zinc/45/23/02/926452302.db2.gz GLJYIXLYPHQJMP-QGZVFWFLSA-N 1 1 393.484 3.695 20 5 GHBDMO COC(=O)/C=C/c1ccc(NCc2ccccc2-n2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000726593179 926748431 /nfs/dbraw/zinc/74/84/31/926748431.db2.gz AQTNPCKMADGVHU-CSKARUKUSA-N 1 1 392.415 3.887 20 5 GHBDMO COc1ccc(Br)cc1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749648930 927222814 /nfs/dbraw/zinc/22/28/14/927222814.db2.gz VDBMOTXUZSIUIQ-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c1 ZINC000749675420 927230677 /nfs/dbraw/zinc/23/06/77/927230677.db2.gz ZCHUFKOKCBFUHD-HKUYNNGSSA-N 1 1 376.840 3.825 20 5 GHBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749801409 927280987 /nfs/dbraw/zinc/28/09/87/927280987.db2.gz SRWRBKOCKIKFRF-UHFFFAOYSA-N 1 1 393.484 3.741 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000750282383 927533267 /nfs/dbraw/zinc/53/32/67/927533267.db2.gz FXYJNNBNDRKVEF-MRXNPFEDSA-N 1 1 393.484 3.553 20 5 GHBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000751061697 928007446 /nfs/dbraw/zinc/00/74/46/928007446.db2.gz DMBQKICTDZNSKE-GOSISDBHSA-N 1 1 391.830 3.954 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c2cccnc21 ZINC000413046337 928138894 /nfs/dbraw/zinc/13/88/94/928138894.db2.gz NTWXEMSZLVRSQD-FQEVSTJZSA-N 1 1 378.432 3.628 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544097470 928803885 /nfs/dbraw/zinc/80/38/85/928803885.db2.gz XGDBWQZLWMSBDH-WMZOPIPTSA-N 1 1 399.516 3.714 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000544187714 928908488 /nfs/dbraw/zinc/90/84/88/928908488.db2.gz GDIUICMEYSNFDR-WBVHZDCISA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000544187714 928908495 /nfs/dbraw/zinc/90/84/95/928908495.db2.gz GDIUICMEYSNFDR-WBVHZDCISA-N 1 1 383.448 3.728 20 5 GHBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757109732 929648273 /nfs/dbraw/zinc/64/82/73/929648273.db2.gz PRKJZSUIVAEGNE-GUYCJALGSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757109732 929648277 /nfs/dbraw/zinc/64/82/77/929648277.db2.gz PRKJZSUIVAEGNE-GUYCJALGSA-N 1 1 381.448 3.859 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c2c(c1)COCO2 ZINC000757705413 929778509 /nfs/dbraw/zinc/77/85/09/929778509.db2.gz KPOOEOWZSYFLDZ-SFHVURJKSA-N 1 1 382.416 3.997 20 5 GHBDMO Cc1nn(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000758265354 929994613 /nfs/dbraw/zinc/99/46/13/929994613.db2.gz WRNCOQFJNPZBEV-QFBILLFUSA-N 1 1 399.426 3.597 20 5 GHBDMO Nc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)cc1[N+](=O)[O-] ZINC000546260236 930001319 /nfs/dbraw/zinc/00/13/19/930001319.db2.gz SRMZIQVGHHUZJW-MRXNPFEDSA-N 1 1 379.420 3.607 20 5 GHBDMO COc1cc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000469768879 930148521 /nfs/dbraw/zinc/14/85/21/930148521.db2.gz MGCHPJDDFKHGBD-YPGOJHLTSA-N 1 1 383.492 3.850 20 5 GHBDMO COc1cc(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000469768879 930148539 /nfs/dbraw/zinc/14/85/39/930148539.db2.gz MGCHPJDDFKHGBD-YPGOJHLTSA-N 1 1 383.492 3.850 20 5 GHBDMO COc1ccc(Br)c(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000759651893 930439299 /nfs/dbraw/zinc/43/92/99/930439299.db2.gz GOEYTZCYEOORTP-QGZVFWFLSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc(Br)c(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000759651893 930439306 /nfs/dbraw/zinc/43/93/06/930439306.db2.gz GOEYTZCYEOORTP-QGZVFWFLSA-N 1 1 395.253 3.531 20 5 GHBDMO C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781381786 930824411 /nfs/dbraw/zinc/82/44/11/930824411.db2.gz ODIMIWOTZUARRZ-UONOGXRCSA-N 1 1 394.903 3.700 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470802678 930925827 /nfs/dbraw/zinc/92/58/27/930925827.db2.gz BHCHJQIIOFFKMB-KKUMJFAQSA-N 1 1 378.473 3.657 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782505016 931245308 /nfs/dbraw/zinc/24/53/08/931245308.db2.gz VSDCSGHJIVWGPB-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531423 931260034 /nfs/dbraw/zinc/26/00/34/931260034.db2.gz OGFBGKBIFVNDEX-QWRGUYRKSA-N 1 1 377.338 3.725 20 5 GHBDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531424 931260116 /nfs/dbraw/zinc/26/01/16/931260116.db2.gz OGFBGKBIFVNDEX-WDEREUQCSA-N 1 1 377.338 3.725 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000782893116 931359055 /nfs/dbraw/zinc/35/90/55/931359055.db2.gz CYBNEGBCEGWGCS-HXUWFJFHSA-N 1 1 393.447 3.829 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000782893116 931359061 /nfs/dbraw/zinc/35/90/61/931359061.db2.gz CYBNEGBCEGWGCS-HXUWFJFHSA-N 1 1 393.447 3.829 20 5 GHBDMO CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000557630088 931584115 /nfs/dbraw/zinc/58/41/15/931584115.db2.gz LOQZMBVDTVSGNH-HNNXBMFYSA-N 1 1 383.477 3.700 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000797084947 932176084 /nfs/dbraw/zinc/17/60/84/932176084.db2.gz WCLMLYSZBHOORN-QFIXIFRTSA-N 1 1 379.460 3.841 20 5 GHBDMO COc1ccc(-c2noc([C@@H](C)[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000558739533 932204060 /nfs/dbraw/zinc/20/40/60/932204060.db2.gz OBSNZOYAEUFVAC-CQSZACIVSA-N 1 1 382.420 3.889 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@]1(c2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000927119913 932420519 /nfs/dbraw/zinc/42/05/19/932420519.db2.gz MQBUOPZRJKABJY-IRLDBZIGSA-N 1 1 392.459 3.713 20 5 GHBDMO CSc1cccc(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000798523608 932687194 /nfs/dbraw/zinc/68/71/94/932687194.db2.gz LGZGBDYSUMZZKV-OAQYLSRUSA-N 1 1 399.516 3.959 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798528549 932693650 /nfs/dbraw/zinc/69/36/50/932693650.db2.gz DBUGVDBMZVDMBK-OAQYLSRUSA-N 1 1 399.516 3.959 20 5 GHBDMO C[C@@]1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+](Cc2ccccc2)C1 ZINC000799015260 932853192 /nfs/dbraw/zinc/85/31/92/932853192.db2.gz UYPDQBCCAYIURX-QFIPXVFZSA-N 1 1 392.459 3.718 20 5 GHBDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000799995482 933206560 /nfs/dbraw/zinc/20/65/60/933206560.db2.gz LPVKJTHXMUBKMG-UHFFFAOYSA-N 1 1 386.408 3.742 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)cc1 ZINC001115928567 933247653 /nfs/dbraw/zinc/24/76/53/933247653.db2.gz RLFFXPBSOFBQQD-UHFFFAOYSA-N 1 1 392.459 3.733 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560542736 933330208 /nfs/dbraw/zinc/33/02/08/933330208.db2.gz GHFNCWKLJVWSRL-PMACEKPBSA-N 1 1 385.512 3.518 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560542741 933330226 /nfs/dbraw/zinc/33/02/26/933330226.db2.gz GHFNCWKLJVWSRL-WOJBJXKFSA-N 1 1 385.512 3.518 20 5 GHBDMO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[nH+]1 ZINC001116100161 933334353 /nfs/dbraw/zinc/33/43/53/933334353.db2.gz FVSTVVKVUFJIGF-KRWDZBQOSA-N 1 1 395.463 3.589 20 5 GHBDMO Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[nH+]1 ZINC001116100162 933334588 /nfs/dbraw/zinc/33/45/88/933334588.db2.gz FVSTVVKVUFJIGF-QGZVFWFLSA-N 1 1 395.463 3.589 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001116604619 933659111 /nfs/dbraw/zinc/65/91/11/933659111.db2.gz SLKKYIICQAKKGB-ICSRJNTNSA-N 1 1 396.491 3.970 20 5 GHBDMO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000560909036 933679234 /nfs/dbraw/zinc/67/92/34/933679234.db2.gz UYFSJLIESBLUGQ-ZDUSSCGKSA-N 1 1 397.522 3.538 20 5 GHBDMO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000561233317 933981516 /nfs/dbraw/zinc/98/15/16/933981516.db2.gz GLKRUOHFTQZPNP-RDJZCZTQSA-N 1 1 398.463 3.550 20 5 GHBDMO CC1CCN(c2ccc(-c3nc([C@H]([NH3+])c4ccccc4)no3)cc2[N+](=O)[O-])CC1 ZINC001118171416 934101797 /nfs/dbraw/zinc/10/17/97/934101797.db2.gz AMYBGDHAWQDOFX-LJQANCHMSA-N 1 1 393.447 3.929 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOC1CCSCC1)[C@H]1CC[C@H](O)CC1 ZINC000930808928 934254604 /nfs/dbraw/zinc/25/46/04/934254604.db2.gz KEKJMGXPAZQJIF-IYARVYRRSA-N 1 1 394.537 3.613 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777958049 934385769 /nfs/dbraw/zinc/38/57/69/934385769.db2.gz YEFFLUYKWQELNQ-QFIPXVFZSA-N 1 1 391.475 3.622 20 5 GHBDMO C[C@@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001119807086 934398278 /nfs/dbraw/zinc/39/82/78/934398278.db2.gz XMVJVAUYZYVGQX-CVEARBPZSA-N 1 1 398.463 3.871 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000561804780 934467017 /nfs/dbraw/zinc/46/70/17/934467017.db2.gz LLSWHJXHFHMNKP-FUHWJXTLSA-N 1 1 382.464 3.996 20 5 GHBDMO Cc1c(Br)cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001125026587 935510494 /nfs/dbraw/zinc/51/04/94/935510494.db2.gz PPSCSOZJKRLMTA-VXGBXAGGSA-N 1 1 398.301 3.658 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000830401019 935940690 /nfs/dbraw/zinc/94/06/90/935940690.db2.gz FKVGJLQBSIKIOY-LAUBAEHRSA-N 1 1 397.450 3.861 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3c(F)cc([N+](=O)[O-])cc3F)CCC[C@@H]12 ZINC001460984757 1069317687 /nfs/dbraw/zinc/31/76/87/1069317687.db2.gz DGNQESIOHRAMTC-APWZRJJASA-N 1 1 397.422 3.895 20 5 GHBDMO Cc1cccc2[nH]cc(CC(=O)O[C@H]3CC[N@H+](Cc4cccc([N+](=O)[O-])c4)C3)c21 ZINC000813174079 1014941443 /nfs/dbraw/zinc/94/14/43/1014941443.db2.gz PREGULXEFQPRGX-IBGZPJMESA-N 1 1 393.443 3.745 20 5 GHBDMO Cc1cccc2[nH]cc(CC(=O)O[C@H]3CC[N@@H+](Cc4cccc([N+](=O)[O-])c4)C3)c21 ZINC000813174079 1014941455 /nfs/dbraw/zinc/94/14/55/1014941455.db2.gz PREGULXEFQPRGX-IBGZPJMESA-N 1 1 393.443 3.745 20 5 GHBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000374255905 1015066328 /nfs/dbraw/zinc/06/63/28/1015066328.db2.gz LGUWWLGEFDWXRN-AZUAARDMSA-N 1 1 396.447 3.676 20 5 GHBDMO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594542199 986179783 /nfs/dbraw/zinc/17/97/83/986179783.db2.gz GDYSYQJAKBWXGV-HZPDHXFCSA-N 1 1 397.475 3.539 20 5 GHBDMO CCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546971859 1016775525 /nfs/dbraw/zinc/77/55/25/1016775525.db2.gz ASXZNYRVVGUZSZ-IBGZPJMESA-N 1 1 399.491 3.708 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001227044563 1032250137 /nfs/dbraw/zinc/25/01/37/1032250137.db2.gz OFXXTGDRWBKZPH-MRXNPFEDSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001227044563 1032250150 /nfs/dbraw/zinc/25/01/50/1032250150.db2.gz OFXXTGDRWBKZPH-MRXNPFEDSA-N 1 1 390.823 3.688 20 5 GHBDMO Cc1nc(Cl)nc(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC001227339473 1032381563 /nfs/dbraw/zinc/38/15/63/1032381563.db2.gz JLDQHLUYMKUDPB-QLPKVWCKSA-N 1 1 388.855 3.636 20 5 GHBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc4ccc5cccnc5c43)C[C@H]1[N@H+]2C ZINC001227763685 1032546473 /nfs/dbraw/zinc/54/64/73/1032546473.db2.gz GRWJIIVNYKQCJN-CTAFRAEOSA-N 1 1 376.456 3.934 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC[NH2+]2)cc1 ZINC001155728216 1032667123 /nfs/dbraw/zinc/66/71/23/1032667123.db2.gz ZTLSFWCZAQZIOB-IBGZPJMESA-N 1 1 381.476 3.869 20 5 GHBDMO COC(=O)c1cccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001227895718 1032675744 /nfs/dbraw/zinc/67/57/44/1032675744.db2.gz CLBYDPOYSMPMFF-YTQUADARSA-N 1 1 396.443 3.671 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000561320264 1017837151 /nfs/dbraw/zinc/83/71/51/1017837151.db2.gz FNEFCXFWXGFFNU-RDTXWAMCSA-N 1 1 387.867 3.633 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000931648183 1018018119 /nfs/dbraw/zinc/01/81/19/1018018119.db2.gz KWKLMOIOVJQOPX-CCKFTAQKSA-N 1 1 391.431 3.669 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000931648183 1018018137 /nfs/dbraw/zinc/01/81/37/1018018137.db2.gz KWKLMOIOVJQOPX-CCKFTAQKSA-N 1 1 391.431 3.669 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)cc1 ZINC000932253508 1018160873 /nfs/dbraw/zinc/16/08/73/1018160873.db2.gz ZUEMXQHQASTWGF-SJORKVTESA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2cncc(Br)c2)cc1 ZINC000932253508 1018160879 /nfs/dbraw/zinc/16/08/79/1018160879.db2.gz ZUEMXQHQASTWGF-SJORKVTESA-N 1 1 392.253 3.623 20 5 GHBDMO COc1cc(C[NH2+][C@@H](c2ccccn2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000932384927 1018250035 /nfs/dbraw/zinc/25/00/35/1018250035.db2.gz YVMMGJAVZDHWSS-LJQANCHMSA-N 1 1 393.390 3.883 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001204412337 1032838756 /nfs/dbraw/zinc/83/87/56/1032838756.db2.gz ABZQRJQHRWYNQQ-UHFFFAOYSA-N 1 1 398.463 3.652 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000157988282 1019887994 /nfs/dbraw/zinc/88/79/94/1019887994.db2.gz OFPMGHKTAXBUDU-INIZCTEOSA-N 1 1 383.448 3.730 20 5 GHBDMO CN(C)C1(CNc2ccc3ccc4ccc(Cl)nc4c3n2)CC[NH+](C)CC1 ZINC001156182474 1032914415 /nfs/dbraw/zinc/91/44/15/1032914415.db2.gz VGOJSFUSJJNKRB-UHFFFAOYSA-N 1 1 383.927 3.874 20 5 GHBDMO COc1cc([C@@H](C)[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903072939 1021572303 /nfs/dbraw/zinc/57/23/03/1021572303.db2.gz MOQNNJNYOBZLJU-FOIQADDNSA-N 1 1 383.448 3.618 20 5 GHBDMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000754702183 1022841476 /nfs/dbraw/zinc/84/14/76/1022841476.db2.gz FSVIHOSDAFCWJS-NSHDSACASA-N 1 1 386.433 3.502 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000756994137 1023902285 /nfs/dbraw/zinc/90/22/85/1023902285.db2.gz QIXINBPMSSEQGY-MRXNPFEDSA-N 1 1 387.867 3.777 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001229055986 1033252599 /nfs/dbraw/zinc/25/25/99/1033252599.db2.gz IZYFAXLEKCPWTL-YWZLYKJASA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1c(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001229049486 1033250149 /nfs/dbraw/zinc/25/01/49/1033250149.db2.gz BQEWHJXFYXQZCX-HNNXBMFYSA-N 1 1 390.823 3.688 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832041276 1025171197 /nfs/dbraw/zinc/17/11/97/1025171197.db2.gz SLMLJOHIWANXEB-APWZRJJASA-N 1 1 390.480 3.890 20 5 GHBDMO NC(=O)[C@@H]1C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)CCO1 ZINC001138811226 1025404726 /nfs/dbraw/zinc/40/47/26/1025404726.db2.gz VLQULKCKLOFWME-NRFANRHFSA-N 1 1 398.466 3.642 20 5 GHBDMO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000838982363 1025499422 /nfs/dbraw/zinc/49/94/22/1025499422.db2.gz XYXJKRTZUZXRKC-CQSZACIVSA-N 1 1 375.856 3.763 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000839092306 1025591119 /nfs/dbraw/zinc/59/11/19/1025591119.db2.gz QYNXKGCPOUKVPJ-ZBFHGGJFSA-N 1 1 393.484 3.586 20 5 GHBDMO C[NH+](C)[C@H](CNCc1c(Br)cccc1[N+](=O)[O-])c1ccsc1 ZINC001461020154 1069340831 /nfs/dbraw/zinc/34/08/31/1069340831.db2.gz DFOHKWOWJOBMEV-OAHLLOKOSA-N 1 1 384.299 3.811 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001162867290 1025947585 /nfs/dbraw/zinc/94/75/85/1025947585.db2.gz HQYJASMODOGWLN-CYBMUJFWSA-N 1 1 377.876 3.971 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[NH+](CCCF)CC2)cc1[N+](=O)[O-] ZINC001162934227 1025972659 /nfs/dbraw/zinc/97/26/59/1025972659.db2.gz BUFZBLWEIPWWGU-UHFFFAOYSA-N 1 1 397.516 3.850 20 5 GHBDMO O=C(CC[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000839514318 1025997332 /nfs/dbraw/zinc/99/73/32/1025997332.db2.gz GLEYFQOJJHDCFJ-FPOVZHCZSA-N 1 1 383.448 3.512 20 5 GHBDMO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1ccc2c(c1)OCO2 ZINC000839536567 1026027808 /nfs/dbraw/zinc/02/78/08/1026027808.db2.gz RPKRFXQSGSDYOR-JTQLQIEISA-N 1 1 379.210 3.937 20 5 GHBDMO C[N@H+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@@H]1Cc1ccccc1 ZINC001163260286 1026110730 /nfs/dbraw/zinc/11/07/30/1026110730.db2.gz IVMDPSMWTKNNGN-INIZCTEOSA-N 1 1 397.866 3.555 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2C2CCCC2)nc1OCc1ccccc1 ZINC001163862052 1026344045 /nfs/dbraw/zinc/34/40/45/1026344045.db2.gz YJQYRHVNUJMVKG-SFHVURJKSA-N 1 1 382.464 3.998 20 5 GHBDMO C[N@H+]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001163996818 1026381045 /nfs/dbraw/zinc/38/10/45/1026381045.db2.gz SHCSGTLCWOOBFW-ZDUSSCGKSA-N 1 1 396.360 3.810 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001139622901 1026490078 /nfs/dbraw/zinc/49/00/78/1026490078.db2.gz SJPVUAFBTHFUSA-OALUTQOASA-N 1 1 376.416 3.509 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001165202793 1026664985 /nfs/dbraw/zinc/66/49/85/1026664985.db2.gz OXKCXMRMGOBRCT-JKSUJKDBSA-N 1 1 377.448 3.637 20 5 GHBDMO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165273311 1026688840 /nfs/dbraw/zinc/68/88/40/1026688840.db2.gz QIJDUCHDUBSTLR-CQSZACIVSA-N 1 1 389.887 3.579 20 5 GHBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC001166875022 1027125991 /nfs/dbraw/zinc/12/59/91/1027125991.db2.gz KUJSZGMDCSCECS-MRXNPFEDSA-N 1 1 382.464 3.800 20 5 GHBDMO CCN(C(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC001203692195 1027538970 /nfs/dbraw/zinc/53/89/70/1027538970.db2.gz VIQPOLRBQSXYMY-UHFFFAOYSA-N 1 1 379.416 3.998 20 5 GHBDMO Cc1nn(C[NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000842632466 1029437183 /nfs/dbraw/zinc/43/71/83/1029437183.db2.gz HSFYDNZQNQKNAX-UHFFFAOYSA-N 1 1 388.468 3.654 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001223449725 1030579291 /nfs/dbraw/zinc/57/92/91/1030579291.db2.gz DSLSEDRXDVURIJ-IBGZPJMESA-N 1 1 384.432 3.563 20 5 GHBDMO O=[N+]([O-])c1cc(CO[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc([N+](=O)[O-])c1 ZINC001223490592 1030601580 /nfs/dbraw/zinc/60/15/80/1030601580.db2.gz YDMARTFCXKRVIN-JRGCBEDISA-N 1 1 397.431 3.930 20 5 GHBDMO O=[N+]([O-])c1cc(CO[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC001223490587 1030601963 /nfs/dbraw/zinc/60/19/63/1030601963.db2.gz YDMARTFCXKRVIN-DZFGPLHGSA-N 1 1 397.431 3.930 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@@H]1C[NH2+][C@@H]1C ZINC001218389901 1030916543 /nfs/dbraw/zinc/91/65/43/1030916543.db2.gz ZTHOBZSRTLKWAE-CWTRNNRKSA-N 1 1 381.428 3.605 20 5 GHBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])C[C@H]1[N@H+]2C ZINC001226386638 1031941327 /nfs/dbraw/zinc/94/13/27/1031941327.db2.gz POMIJYTZXXPUKA-PSHVLCQKSA-N 1 1 396.443 3.807 20 5 GHBDMO COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)C1 ZINC001229201671 1033338087 /nfs/dbraw/zinc/33/80/87/1033338087.db2.gz BHOJWTJLABWKHZ-KRWDZBQOSA-N 1 1 384.432 3.616 20 5 GHBDMO COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)C1 ZINC001229201671 1033338092 /nfs/dbraw/zinc/33/80/92/1033338092.db2.gz BHOJWTJLABWKHZ-KRWDZBQOSA-N 1 1 384.432 3.616 20 5 GHBDMO CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001229245064 1033364734 /nfs/dbraw/zinc/36/47/34/1033364734.db2.gz WVQLIMROLJCWEU-LBPRGKRZSA-N 1 1 385.258 3.812 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229402501 1033460298 /nfs/dbraw/zinc/46/02/98/1033460298.db2.gz KYEOLZKOYBZZJS-YWZLYKJASA-N 1 1 378.432 3.827 20 5 GHBDMO O=[N+]([O-])c1ncc(Br)cc1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001229563153 1033559410 /nfs/dbraw/zinc/55/94/10/1033559410.db2.gz LXDMUPOXNWDNKU-HNNXBMFYSA-N 1 1 392.253 3.796 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001206034508 1033697112 /nfs/dbraw/zinc/69/71/12/1033697112.db2.gz NNPNKQIIVDKDKD-YJBOKZPZSA-N 1 1 382.464 3.942 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001206721225 1033957825 /nfs/dbraw/zinc/95/78/25/1033957825.db2.gz SSZKNEXIEJFLHU-LNLBINEFSA-N 1 1 393.459 3.935 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001206721225 1033957838 /nfs/dbraw/zinc/95/78/38/1033957838.db2.gz SSZKNEXIEJFLHU-LNLBINEFSA-N 1 1 393.459 3.935 20 5 GHBDMO CC[N@@H+](CCCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001230686932 1034181279 /nfs/dbraw/zinc/18/12/79/1034181279.db2.gz UOYUWNXNZBSPLH-INIZCTEOSA-N 1 1 376.501 4.000 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(O[C@H]3CC[N@@H+](Cc4ccccc4Cl)C3)c21 ZINC001231055374 1034368525 /nfs/dbraw/zinc/36/85/25/1034368525.db2.gz INWLAZKJZURYEU-AWEZNQCLSA-N 1 1 384.823 3.845 20 5 GHBDMO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232222697 1035170434 /nfs/dbraw/zinc/17/04/34/1035170434.db2.gz PPKIJOHVUJGCCE-XMMPIXPASA-N 1 1 380.451 3.879 20 5 GHBDMO [NH3+][C@@H](Cc1csc2ccccc12)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248168087 1035596590 /nfs/dbraw/zinc/59/65/90/1035596590.db2.gz MTNNODXUJHRZKU-LBPRGKRZSA-N 1 1 385.380 3.636 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001248209915 1035641016 /nfs/dbraw/zinc/64/10/16/1035641016.db2.gz DKEVKEITTLSQMQ-AWEZNQCLSA-N 1 1 378.310 3.906 20 5 GHBDMO Cc1sc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Br ZINC001462180432 1070057898 /nfs/dbraw/zinc/05/78/98/1070057898.db2.gz KQOGCSCEYFXTCB-UHFFFAOYSA-N 1 1 385.287 3.761 20 5 GHBDMO COc1c(O)ccc(C[N@@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001462377042 1070211021 /nfs/dbraw/zinc/21/10/21/1070211021.db2.gz UFPVMPXUMLXKJL-HNNXBMFYSA-N 1 1 394.468 3.785 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001462377042 1070211027 /nfs/dbraw/zinc/21/10/27/1070211027.db2.gz UFPVMPXUMLXKJL-HNNXBMFYSA-N 1 1 394.468 3.785 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(O[C@H]3CCc4[nH+]ccn4C3)cc(C(F)(F)F)c2c1 ZINC001233967026 1039733357 /nfs/dbraw/zinc/73/33/57/1039733357.db2.gz DVXDXTGHOGJSKR-NSHDSACASA-N 1 1 378.310 3.752 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC001234049767 1039785961 /nfs/dbraw/zinc/78/59/61/1039785961.db2.gz COVPRIXWADVNGG-DZFIZOCASA-N 1 1 396.443 3.956 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001234058354 1039792129 /nfs/dbraw/zinc/79/21/29/1039792129.db2.gz OMLKFTJGXXIAPG-MRXNPFEDSA-N 1 1 388.395 3.564 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254552441 1040320492 /nfs/dbraw/zinc/32/04/92/1040320492.db2.gz LRGSCERHONBIEH-HLLBOEOZSA-N 1 1 377.485 3.761 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001254559647 1040331640 /nfs/dbraw/zinc/33/16/40/1040331640.db2.gz LNHIZNCMXLHWHC-BPQIPLTHSA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001254561932 1040334178 /nfs/dbraw/zinc/33/41/78/1040334178.db2.gz NIDCOQHGIAUNJQ-HNNXBMFYSA-N 1 1 377.485 3.857 20 5 GHBDMO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563959 1040337986 /nfs/dbraw/zinc/33/79/86/1040337986.db2.gz HFHMDUMQXFKITQ-WMZOPIPTSA-N 1 1 380.485 3.596 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001254568530 1040345010 /nfs/dbraw/zinc/34/50/10/1040345010.db2.gz ZZWWFYPMFKVUIG-HZPDHXFCSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001254570929 1040348265 /nfs/dbraw/zinc/34/82/65/1040348265.db2.gz QRHCXVYIOSWRMD-YWZLYKJASA-N 1 1 377.485 3.763 20 5 GHBDMO CN(C[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)C(=O)OC(C)(C)C ZINC001254596413 1040368863 /nfs/dbraw/zinc/36/88/63/1040368863.db2.gz DKRQGPBIRVYCOK-KXBFYZLASA-N 1 1 389.496 3.641 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC([N@H+]3CCc4ccccc4C3)CC1)C2 ZINC001254603032 1040375042 /nfs/dbraw/zinc/37/50/42/1040375042.db2.gz KQURDWXFQSKJOV-QHCPKHFHSA-N 1 1 377.488 3.585 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(N3CCc4ccccc4C3)CC1)C2 ZINC001254603032 1040375058 /nfs/dbraw/zinc/37/50/58/1040375058.db2.gz KQURDWXFQSKJOV-QHCPKHFHSA-N 1 1 377.488 3.585 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001254606448 1040378939 /nfs/dbraw/zinc/37/89/39/1040378939.db2.gz GJRUIFSYCFXTNA-MRXNPFEDSA-N 1 1 381.259 3.863 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)nc2c1 ZINC001462517630 1070321286 /nfs/dbraw/zinc/32/12/86/1070321286.db2.gz JXGLVSKCEDAPCN-SFHVURJKSA-N 1 1 380.448 3.880 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCCC[N@H+]3Cc3ccccc3)nc2c1 ZINC001462517630 1070321306 /nfs/dbraw/zinc/32/13/06/1070321306.db2.gz JXGLVSKCEDAPCN-SFHVURJKSA-N 1 1 380.448 3.880 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462623004 1070422130 /nfs/dbraw/zinc/42/21/30/1070422130.db2.gz LBYSUEVGNVVJQR-MJYCDUKWSA-N 1 1 375.469 3.843 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)c1 ZINC001292068023 1043580700 /nfs/dbraw/zinc/58/07/00/1043580700.db2.gz BDPLOALCCMSCCX-UHFFFAOYSA-N 1 1 392.459 3.712 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001293349286 1044128819 /nfs/dbraw/zinc/12/88/19/1044128819.db2.gz GIDRVNRFZWUENH-QGZVFWFLSA-N 1 1 391.512 3.689 20 5 GHBDMO COC(=O)Cc1ccc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001307110196 1049081286 /nfs/dbraw/zinc/08/12/86/1049081286.db2.gz QIGDHGLHRLCGEL-QFIPXVFZSA-N 1 1 397.475 3.634 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2nccc3c2cccc3[N+](=O)[O-])cc1 ZINC001307169331 1049117228 /nfs/dbraw/zinc/11/72/28/1049117228.db2.gz MUHBATVJQFKZER-INIZCTEOSA-N 1 1 378.432 3.838 20 5 GHBDMO Cc1nc(-c2cc3c(s2)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C3)cs1 ZINC001307628135 1049460555 /nfs/dbraw/zinc/46/05/55/1049460555.db2.gz IHJGLFMLLGERRY-UHFFFAOYSA-N 1 1 389.506 3.651 20 5 GHBDMO Cc1nc(-c2cc3c(s2)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C3)cs1 ZINC001307628135 1049460565 /nfs/dbraw/zinc/46/05/65/1049460565.db2.gz IHJGLFMLLGERRY-UHFFFAOYSA-N 1 1 389.506 3.651 20 5 GHBDMO C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001307805215 1049603391 /nfs/dbraw/zinc/60/33/91/1049603391.db2.gz OBTXZAFDSMUDLV-INIZCTEOSA-N 1 1 379.460 3.603 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC001307944986 1049714891 /nfs/dbraw/zinc/71/48/91/1049714891.db2.gz UKGLSAQVGAZXGW-INIZCTEOSA-N 1 1 395.459 3.782 20 5 GHBDMO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cnn(CC2CCC2)c1 ZINC001308146408 1049884187 /nfs/dbraw/zinc/88/41/87/1049884187.db2.gz YGVXATQXBZCMNR-GFCCVEGCSA-N 1 1 391.859 3.534 20 5 GHBDMO CCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC001308177644 1049902288 /nfs/dbraw/zinc/90/22/88/1049902288.db2.gz OVZDGKHJZVSMIQ-UHFFFAOYSA-N 1 1 393.484 3.825 20 5 GHBDMO CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001308773594 1050088960 /nfs/dbraw/zinc/08/89/60/1050088960.db2.gz ICKCBTHWYVIXPB-QGZVFWFLSA-N 1 1 375.469 3.641 20 5 GHBDMO Cn1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c(C(F)F)n1 ZINC001328175284 1050425781 /nfs/dbraw/zinc/42/57/81/1050425781.db2.gz VSLLIDGPDFJSEW-WKILWMFISA-N 1 1 394.422 3.572 20 5 GHBDMO Cn1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c(C(F)F)n1 ZINC001328175284 1050425787 /nfs/dbraw/zinc/42/57/87/1050425787.db2.gz VSLLIDGPDFJSEW-WKILWMFISA-N 1 1 394.422 3.572 20 5 GHBDMO Cc1c(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cccc1[N+](=O)[O-] ZINC001310079311 1051141951 /nfs/dbraw/zinc/14/19/51/1051141951.db2.gz LCHQAMFUMDVUIP-XLIONFOSSA-N 1 1 380.448 3.641 20 5 GHBDMO CC[C@@H](NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001312312815 1052689624 /nfs/dbraw/zinc/68/96/24/1052689624.db2.gz BZMXRQSFNLQDOZ-WOJBJXKFSA-N 1 1 382.464 3.620 20 5 GHBDMO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1OC(F)F ZINC001319931628 1055548864 /nfs/dbraw/zinc/54/88/64/1055548864.db2.gz BLJVFENWMMPOPY-NSHDSACASA-N 1 1 397.353 3.649 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1)CC1CC1 ZINC001320547356 1055876028 /nfs/dbraw/zinc/87/60/28/1055876028.db2.gz FFMONPQHGQBYPR-UHFFFAOYSA-N 1 1 388.512 3.611 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320792979 1055962935 /nfs/dbraw/zinc/96/29/35/1055962935.db2.gz MCIHDKHIRGSWOE-APWZRJJASA-N 1 1 386.427 3.918 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320792979 1055962940 /nfs/dbraw/zinc/96/29/40/1055962940.db2.gz MCIHDKHIRGSWOE-APWZRJJASA-N 1 1 386.427 3.918 20 5 GHBDMO CCCCCC(=O)NC1CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848477801 1057115864 /nfs/dbraw/zinc/11/58/64/1057115864.db2.gz YNBLFMPJLLSGQD-UHFFFAOYSA-N 1 1 399.495 3.577 20 5 GHBDMO CC[C@H](c1ccncc1)[N@H+](CC)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479920 1057117162 /nfs/dbraw/zinc/11/71/62/1057117162.db2.gz LTYBRXBXMVXXHV-VQTJNVASSA-N 1 1 382.464 3.736 20 5 GHBDMO CC[C@H](c1ccncc1)[N@@H+](CC)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479920 1057117165 /nfs/dbraw/zinc/11/71/65/1057117165.db2.gz LTYBRXBXMVXXHV-VQTJNVASSA-N 1 1 382.464 3.736 20 5 GHBDMO CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001445929057 1059658013 /nfs/dbraw/zinc/65/80/13/1059658013.db2.gz NNRUFSVLBJSEGB-QGZVFWFLSA-N 1 1 387.867 3.524 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)n1 ZINC001456051245 1062443439 /nfs/dbraw/zinc/44/34/39/1062443439.db2.gz XAHVYVHGWLEXQO-UHFFFAOYSA-N 1 1 379.420 3.919 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC001435567725 1062740909 /nfs/dbraw/zinc/74/09/09/1062740909.db2.gz WZCUTXRPORWDIQ-IAGOWNOFSA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC001435567725 1062740927 /nfs/dbraw/zinc/74/09/27/1062740927.db2.gz WZCUTXRPORWDIQ-IAGOWNOFSA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001457086521 1062971344 /nfs/dbraw/zinc/97/13/44/1062971344.db2.gz BERCBDGONFNZDE-BEFAXECRSA-N 1 1 385.439 3.683 20 5 GHBDMO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001457615514 1063279354 /nfs/dbraw/zinc/27/93/54/1063279354.db2.gz UVIMEBVGDXMTFY-CRAIPNDOSA-N 1 1 391.487 3.998 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1F ZINC001436369264 1063406346 /nfs/dbraw/zinc/40/63/46/1063406346.db2.gz QLDDVTJEJDTWSR-UHFFFAOYSA-N 1 1 385.439 3.827 20 5 GHBDMO C[NH+](C)[C@@H](C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F)c1ccc(Cl)cc1 ZINC001436377204 1063414304 /nfs/dbraw/zinc/41/43/04/1063414304.db2.gz NMANSOHRWYNFAE-QGZVFWFLSA-N 1 1 377.803 3.579 20 5 GHBDMO C[C@H](C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCc2ccccc2C1 ZINC001457895395 1063428072 /nfs/dbraw/zinc/42/80/72/1063428072.db2.gz WWLRKHBMWDOKKO-CQSZACIVSA-N 1 1 376.416 3.528 20 5 GHBDMO C[C@H](C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)[N@H+]1CCc2ccccc2C1 ZINC001457895395 1063428083 /nfs/dbraw/zinc/42/80/83/1063428083.db2.gz WWLRKHBMWDOKKO-CQSZACIVSA-N 1 1 376.416 3.528 20 5 GHBDMO CC(C)Oc1nc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001458165750 1063620562 /nfs/dbraw/zinc/62/05/62/1063620562.db2.gz JFPVEZSLPBELOO-GOSISDBHSA-N 1 1 384.480 3.754 20 5 GHBDMO CC(C)Oc1nc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001458198271 1063648596 /nfs/dbraw/zinc/64/85/96/1063648596.db2.gz BSOZINCOIGXJDZ-QGZVFWFLSA-N 1 1 384.480 3.878 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001458338207 1063753621 /nfs/dbraw/zinc/75/36/21/1063753621.db2.gz XBZVSNWGVTUYBN-UHFFFAOYSA-N 1 1 389.415 3.553 20 5 GHBDMO CC[N@@H+](CCCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC001437418702 1063853856 /nfs/dbraw/zinc/85/38/56/1063853856.db2.gz GYYCNSSCJYBMOH-OAHLLOKOSA-N 1 1 379.476 3.998 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC001458870765 1063952724 /nfs/dbraw/zinc/95/27/24/1063952724.db2.gz CCMDDUTXLFDAOG-HUUCEWRRSA-N 1 1 386.477 3.560 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC001458870765 1063952729 /nfs/dbraw/zinc/95/27/29/1063952729.db2.gz CCMDDUTXLFDAOG-HUUCEWRRSA-N 1 1 386.477 3.560 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC001459327943 1064064059 /nfs/dbraw/zinc/06/40/59/1064064059.db2.gz SSXMOIGZSGZJQI-CQSZACIVSA-N 1 1 391.855 3.976 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC001459327943 1064064067 /nfs/dbraw/zinc/06/40/67/1064064067.db2.gz SSXMOIGZSGZJQI-CQSZACIVSA-N 1 1 391.855 3.976 20 5 GHBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC001459675855 1064164171 /nfs/dbraw/zinc/16/41/71/1064164171.db2.gz ZCLGSIAEUVMTGN-KRWDZBQOSA-N 1 1 385.464 3.885 20 5 GHBDMO C[C@]1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001300206348 1065693180 /nfs/dbraw/zinc/69/31/80/1065693180.db2.gz HPBSGXAHCBBZFS-QFIPXVFZSA-N 1 1 396.491 3.568 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001546153079 1065760731 /nfs/dbraw/zinc/76/07/31/1065760731.db2.gz CBUJMFKRSRKRQW-SFHVURJKSA-N 1 1 385.439 3.861 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1Cc1ccccc1 ZINC001546153079 1065760748 /nfs/dbraw/zinc/76/07/48/1065760748.db2.gz CBUJMFKRSRKRQW-SFHVURJKSA-N 1 1 385.439 3.861 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001466375975 1066120611 /nfs/dbraw/zinc/12/06/11/1066120611.db2.gz FPPXTVSLFSBCBD-KRWDZBQOSA-N 1 1 390.484 3.912 20 5 GHBDMO CC[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001466752407 1066294914 /nfs/dbraw/zinc/29/49/14/1066294914.db2.gz DALBMBHCFPHAAF-INIZCTEOSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001466752407 1066294922 /nfs/dbraw/zinc/29/49/22/1066294922.db2.gz DALBMBHCFPHAAF-INIZCTEOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[N@H+](CCO)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1Cl ZINC001467395415 1067272518 /nfs/dbraw/zinc/27/25/18/1067272518.db2.gz CWSPRANSDDBSEP-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO C[N@@H+](CCO)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1Cl ZINC001467395415 1067272526 /nfs/dbraw/zinc/27/25/26/1067272526.db2.gz CWSPRANSDDBSEP-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC001467502584 1067331637 /nfs/dbraw/zinc/33/16/37/1067331637.db2.gz OSISPKODQNGSJV-IBGZPJMESA-N 1 1 381.476 3.608 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC001360928969 1068697316 /nfs/dbraw/zinc/69/73/16/1068697316.db2.gz SRHFTNXVIOPNQC-GOSISDBHSA-N 1 1 383.448 3.513 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460209007 1068860746 /nfs/dbraw/zinc/86/07/46/1068860746.db2.gz YDPHMQKHMFRYRT-KGLIPLIRSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460209007 1068860775 /nfs/dbraw/zinc/86/07/75/1068860775.db2.gz YDPHMQKHMFRYRT-KGLIPLIRSA-N 1 1 381.448 3.717 20 5 GHBDMO COC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)s1 ZINC001460210169 1068862822 /nfs/dbraw/zinc/86/28/22/1068862822.db2.gz UJQUCWHXHLSQTP-AWEZNQCLSA-N 1 1 389.477 3.635 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC001460705903 1069103937 /nfs/dbraw/zinc/10/39/37/1069103937.db2.gz NYNGRGNPYWKAAJ-MRXNPFEDSA-N 1 1 393.447 3.524 20 5 GHBDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCN(C)C(=O)OC(C)(C)C ZINC001460809618 1069194760 /nfs/dbraw/zinc/19/47/60/1069194760.db2.gz NBWWAMDYSROFAZ-UHFFFAOYSA-N 1 1 381.473 3.551 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)cs1 ZINC001460877946 1069246824 /nfs/dbraw/zinc/24/68/24/1069246824.db2.gz KLUFYBGMGYGQGK-INIZCTEOSA-N 1 1 397.294 3.902 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)cs1 ZINC001460877946 1069246836 /nfs/dbraw/zinc/24/68/36/1069246836.db2.gz KLUFYBGMGYGQGK-INIZCTEOSA-N 1 1 397.294 3.902 20 5 GHBDMO Cc1ccc(C)c(C2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC001460899514 1069262656 /nfs/dbraw/zinc/26/26/56/1069262656.db2.gz VJGCCGJHHIZADN-UHFFFAOYSA-N 1 1 393.487 3.980 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001460938858 1069285744 /nfs/dbraw/zinc/28/57/44/1069285744.db2.gz LOZBLGXSZXVIRJ-PASDCYSWSA-N 1 1 378.469 3.662 20 5 GHBDMO CCc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C2 ZINC001460970888 1069305582 /nfs/dbraw/zinc/30/55/82/1069305582.db2.gz HGWXKUOUYIABSS-UHFFFAOYSA-N 1 1 383.448 3.553 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCC1(C)C ZINC001470650858 1072670050 /nfs/dbraw/zinc/67/00/50/1072670050.db2.gz SDABIMDXCWZSLW-UHFFFAOYSA-N 1 1 382.464 3.895 20 5 GHBDMO Cc1ccc(CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001471083598 1072916300 /nfs/dbraw/zinc/91/63/00/1072916300.db2.gz QWQSZEIDSDDCAU-GOSISDBHSA-N 1 1 396.491 3.709 20 5 GHBDMO CCc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001471786827 1073218470 /nfs/dbraw/zinc/21/84/70/1073218470.db2.gz IMLFYJJRNKAFFJ-UHFFFAOYSA-N 1 1 380.404 3.576 20 5 GHBDMO CCc1cc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472667437 1073605706 /nfs/dbraw/zinc/60/57/06/1073605706.db2.gz ZSBRWJPARRADAD-BBWFWOEESA-N 1 1 397.523 3.814 20 5 GHBDMO C[NH+]1CCN(c2ccc(Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2Cl)CC1 ZINC001472680408 1073612770 /nfs/dbraw/zinc/61/27/70/1073612770.db2.gz ZMMGZAXDRMCHAS-UHFFFAOYSA-N 1 1 386.843 3.620 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 ZINC001472833788 1073686862 /nfs/dbraw/zinc/68/68/62/1073686862.db2.gz BRRXAKMBHOUUKG-OAHLLOKOSA-N 1 1 393.390 3.891 20 5 GHBDMO CCn1c(=O)c2cc3ccccc3cc2nc1SCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001472953217 1073734223 /nfs/dbraw/zinc/73/42/23/1073734223.db2.gz KYLMOMRPTARLHB-IYBDPMFKSA-N 1 1 397.544 3.771 20 5 GHBDMO CCn1c(=O)c2cc3ccccc3cc2nc1SCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001472953217 1073734230 /nfs/dbraw/zinc/73/42/30/1073734230.db2.gz KYLMOMRPTARLHB-IYBDPMFKSA-N 1 1 397.544 3.771 20 5 GHBDMO CCn1c(=O)c2cc3ccccc3cc2nc1SCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001472953214 1073734367 /nfs/dbraw/zinc/73/43/67/1073734367.db2.gz KYLMOMRPTARLHB-HZPDHXFCSA-N 1 1 397.544 3.771 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473197788 1073849004 /nfs/dbraw/zinc/84/90/04/1073849004.db2.gz BHEUSHHOXACAHF-VLIAUNLRSA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473197788 1073849015 /nfs/dbraw/zinc/84/90/15/1073849015.db2.gz BHEUSHHOXACAHF-VLIAUNLRSA-N 1 1 383.423 3.706 20 5 GHBDMO Cc1ccc([C@@H](CC(F)(F)F)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC001473354002 1073933309 /nfs/dbraw/zinc/93/33/09/1073933309.db2.gz KRJJDKLDPJBPAW-OAHLLOKOSA-N 1 1 381.354 3.785 20 5 GHBDMO C[C@](O)(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)C(F)(F)F ZINC001473486665 1073985709 /nfs/dbraw/zinc/98/57/09/1073985709.db2.gz MKUHUPBQPSOAKS-JSGCOSHPSA-N 1 1 382.329 3.723 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)ccc1Br ZINC001473647253 1074065082 /nfs/dbraw/zinc/06/50/82/1074065082.db2.gz NGMDGQIFIVJSNK-SFHVURJKSA-N 1 1 391.265 3.841 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)ccc1Br ZINC001473647253 1074065088 /nfs/dbraw/zinc/06/50/88/1074065088.db2.gz NGMDGQIFIVJSNK-SFHVURJKSA-N 1 1 391.265 3.841 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)ccc1Br ZINC001473647252 1074065455 /nfs/dbraw/zinc/06/54/55/1074065455.db2.gz NGMDGQIFIVJSNK-GOSISDBHSA-N 1 1 391.265 3.841 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)ccc1Br ZINC001473647252 1074065463 /nfs/dbraw/zinc/06/54/63/1074065463.db2.gz NGMDGQIFIVJSNK-GOSISDBHSA-N 1 1 391.265 3.841 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001473709396 1074099931 /nfs/dbraw/zinc/09/99/31/1074099931.db2.gz UCSRLWNOJLVFNQ-INIZCTEOSA-N 1 1 393.484 3.743 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc2c1OCC2 ZINC001473827229 1074162594 /nfs/dbraw/zinc/16/25/94/1074162594.db2.gz SOJCISGPCPRRBD-NEPJUHHUSA-N 1 1 389.839 3.861 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2csc(COc3ccccc3)n2)cc1 ZINC001473981709 1074225580 /nfs/dbraw/zinc/22/55/80/1074225580.db2.gz OEUOYMFRZISHIH-UHFFFAOYSA-N 1 1 385.445 3.799 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001474233843 1074302467 /nfs/dbraw/zinc/30/24/67/1074302467.db2.gz GHMHUYAFDJPVEE-YLJYHZDGSA-N 1 1 383.492 3.851 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001474612581 1074483831 /nfs/dbraw/zinc/48/38/31/1074483831.db2.gz MCGXLADQPBRUQG-XZOQPEGZSA-N 1 1 395.503 3.687 20 5 GHBDMO COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1[N+](=O)[O-] ZINC001476318857 1075124084 /nfs/dbraw/zinc/12/40/84/1075124084.db2.gz MJTAFWFWCJAQHJ-KRWDZBQOSA-N 1 1 390.484 3.770 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cs1 ZINC000826497752 608311213 /nfs/dbraw/zinc/31/12/13/608311213.db2.gz SVCBHKVKMIBRFW-UHFFFAOYSA-N 1 1 392.444 3.793 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824771531 608465319 /nfs/dbraw/zinc/46/53/19/608465319.db2.gz QXGGTZKTTVIUHA-CQSZACIVSA-N 1 1 376.420 3.625 20 5 GHBDMO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826500320 608858530 /nfs/dbraw/zinc/85/85/30/608858530.db2.gz TZLYLQZUUFGCAP-HWKANZROSA-N 1 1 388.431 3.577 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cnc2c1 ZINC001164625129 719064943 /nfs/dbraw/zinc/06/49/43/719064943.db2.gz MWNADRNRQKXLHN-DYESRHJHSA-N 1 1 389.459 3.639 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1Cl ZINC001164857045 720948291 /nfs/dbraw/zinc/94/82/91/720948291.db2.gz GCNAAIUALUNLGE-ZDUSSCGKSA-N 1 1 392.891 3.570 20 5 GHBDMO COc1cc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000581460572 837527887 /nfs/dbraw/zinc/52/78/87/837527887.db2.gz WCTPVTPEXPSGEA-GOSISDBHSA-N 1 1 397.475 3.636 20 5 GHBDMO C[NH+](C)Cc1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)ccc1Cl ZINC000500784159 844012978 /nfs/dbraw/zinc/01/29/78/844012978.db2.gz AQIKTKNTZDIGQE-UHFFFAOYSA-N 1 1 399.838 3.748 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000175281812 834505056 /nfs/dbraw/zinc/50/50/56/834505056.db2.gz URWNFLPYMOCYBG-IBGZPJMESA-N 1 1 381.476 3.887 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000163242445 834700678 /nfs/dbraw/zinc/70/06/78/834700678.db2.gz QICJTWHTAPYPJE-UHFFFAOYSA-N 1 1 392.500 3.506 20 5 GHBDMO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1C ZINC000728571761 834783346 /nfs/dbraw/zinc/78/33/46/834783346.db2.gz MKOGEURFNHBARP-UHFFFAOYSA-N 1 1 377.828 3.636 20 5 GHBDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1C ZINC000728571761 834783347 /nfs/dbraw/zinc/78/33/47/834783347.db2.gz MKOGEURFNHBARP-UHFFFAOYSA-N 1 1 377.828 3.636 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246164254 834819524 /nfs/dbraw/zinc/81/95/24/834819524.db2.gz ONKLTDRVBMMKIH-HZPDHXFCSA-N 1 1 390.484 3.722 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000187081791 835004615 /nfs/dbraw/zinc/00/46/15/835004615.db2.gz CGUPRVJEROSHSK-YOEHRIQHSA-N 1 1 385.489 3.567 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]1c1cccs1 ZINC000610200059 835021890 /nfs/dbraw/zinc/02/18/90/835021890.db2.gz BBZBKMSBRPNYRT-YJYMSZOUSA-N 1 1 398.488 3.951 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000708572290 835069306 /nfs/dbraw/zinc/06/93/06/835069306.db2.gz ZDROYSXRBPBKJB-UKRRQHHQSA-N 1 1 383.477 3.780 20 5 GHBDMO O=C(C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000433322075 844014718 /nfs/dbraw/zinc/01/47/18/844014718.db2.gz PGUNJXWEJOYNFZ-INIZCTEOSA-N 1 1 385.851 3.627 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000433322075 844014724 /nfs/dbraw/zinc/01/47/24/844014724.db2.gz PGUNJXWEJOYNFZ-INIZCTEOSA-N 1 1 385.851 3.627 20 5 GHBDMO C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583855946 835159602 /nfs/dbraw/zinc/15/96/02/835159602.db2.gz XYOKHFQLBNFMTJ-ZWKOTPCHSA-N 1 1 381.476 3.679 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000254942022 835332453 /nfs/dbraw/zinc/33/24/53/835332453.db2.gz ICNXISBMYPKOPK-PWYGHMFVSA-N 1 1 394.475 3.516 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000510118838 835402090 /nfs/dbraw/zinc/40/20/90/835402090.db2.gz MDDIUCNDPRVBHE-RDJZCZTQSA-N 1 1 385.439 3.764 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000533415407 835527108 /nfs/dbraw/zinc/52/71/08/835527108.db2.gz OHUBCSZFJYFBRD-SFHVURJKSA-N 1 1 395.459 3.848 20 5 GHBDMO COc1cc(C[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000179401577 835668118 /nfs/dbraw/zinc/66/81/18/835668118.db2.gz ALOXZXAULZNZAJ-INIZCTEOSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cc(C[N@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000179401577 835668125 /nfs/dbraw/zinc/66/81/25/835668125.db2.gz ALOXZXAULZNZAJ-INIZCTEOSA-N 1 1 386.448 3.793 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177058481 835690158 /nfs/dbraw/zinc/69/01/58/835690158.db2.gz SJXLXQVOMKCCSJ-ZIAGYGMSSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177058481 835690161 /nfs/dbraw/zinc/69/01/61/835690161.db2.gz SJXLXQVOMKCCSJ-ZIAGYGMSSA-N 1 1 381.448 3.859 20 5 GHBDMO COc1cc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000188489647 835958165 /nfs/dbraw/zinc/95/81/65/835958165.db2.gz ICAKIDHCCKYMRV-INIZCTEOSA-N 1 1 397.475 3.648 20 5 GHBDMO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000549686547 844115151 /nfs/dbraw/zinc/11/51/51/844115151.db2.gz HQZSAMDCQVCTAL-FOIQADDNSA-N 1 1 385.439 3.570 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134835059 836044078 /nfs/dbraw/zinc/04/40/78/836044078.db2.gz TYUKZSWWAIKFFD-MRXNPFEDSA-N 1 1 387.867 3.543 20 5 GHBDMO CSc1cccc(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000364535047 836045741 /nfs/dbraw/zinc/04/57/41/836045741.db2.gz ZCWRFWLQJDVSFW-NVXWUHKLSA-N 1 1 399.516 3.957 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000027334574 844137572 /nfs/dbraw/zinc/13/75/72/844137572.db2.gz NJPOSJQDQUIMKN-HNNXBMFYSA-N 1 1 385.445 3.969 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411595243 836228150 /nfs/dbraw/zinc/22/81/50/836228150.db2.gz XUZRDNUYPDWQRZ-CEDBRAGKSA-N 1 1 379.460 3.650 20 5 GHBDMO CCOc1c(Cl)cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000601150385 836492051 /nfs/dbraw/zinc/49/20/51/836492051.db2.gz WTEXMQLGQYLLET-IBGZPJMESA-N 1 1 394.855 3.653 20 5 GHBDMO Cc1cc(F)cc(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)c1[N+](=O)[O-] ZINC000893839989 844189025 /nfs/dbraw/zinc/18/90/25/844189025.db2.gz FYQJIWVPLYWKMA-GOSISDBHSA-N 1 1 398.438 3.579 20 5 GHBDMO COc1ccc(C[N@H+](CCc2ccccn2)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000430348061 836758969 /nfs/dbraw/zinc/75/89/69/836758969.db2.gz REDRBVQNMOCXLZ-UHFFFAOYSA-N 1 1 378.432 3.638 20 5 GHBDMO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000430348061 836758974 /nfs/dbraw/zinc/75/89/74/836758974.db2.gz REDRBVQNMOCXLZ-UHFFFAOYSA-N 1 1 378.432 3.638 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)nc1 ZINC000543859859 836780974 /nfs/dbraw/zinc/78/09/74/836780974.db2.gz FTFPHKCKPOEJNT-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)nc1 ZINC000543859859 836780979 /nfs/dbraw/zinc/78/09/79/836780979.db2.gz FTFPHKCKPOEJNT-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001126382171 844259985 /nfs/dbraw/zinc/25/99/85/844259985.db2.gz GPFZBBGSEQVHPW-SCLBCKFNSA-N 1 1 391.468 3.917 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)n2)c1 ZINC000181219337 837887086 /nfs/dbraw/zinc/88/70/86/837887086.db2.gz SBOUXMABCZKVLY-DNVCBOLYSA-N 1 1 394.431 3.902 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)C1 ZINC000517561536 837972356 /nfs/dbraw/zinc/97/23/56/837972356.db2.gz OQNZIALCNRQVOS-HNNXBMFYSA-N 1 1 385.439 3.896 20 5 GHBDMO CCc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000471438120 838041194 /nfs/dbraw/zinc/04/11/94/838041194.db2.gz XELNDTYEXOTOGL-HXUWFJFHSA-N 1 1 381.476 3.894 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000782892777 838290882 /nfs/dbraw/zinc/29/08/82/838290882.db2.gz AZGXCUMZDKANHE-IBGZPJMESA-N 1 1 381.436 3.623 20 5 GHBDMO CC(C)(COCc1ccccc1)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000500958265 844321225 /nfs/dbraw/zinc/32/12/25/844321225.db2.gz RBJASYSHRCAUDG-UHFFFAOYSA-N 1 1 382.420 3.730 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452171063 838518141 /nfs/dbraw/zinc/51/81/41/838518141.db2.gz JRSDZEHBIBRYHL-OAHLLOKOSA-N 1 1 391.537 3.899 20 5 GHBDMO O=C(CC[N@@H+]1CC[C@](F)(c2ccccc2F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000549408457 838733621 /nfs/dbraw/zinc/73/36/21/838733621.db2.gz NDKUPXZIDDLHHL-LJQANCHMSA-N 1 1 375.375 3.633 20 5 GHBDMO O=C(CC[N@H+]1CC[C@](F)(c2ccccc2F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000549408457 838733628 /nfs/dbraw/zinc/73/36/28/838733628.db2.gz NDKUPXZIDDLHHL-LJQANCHMSA-N 1 1 375.375 3.633 20 5 GHBDMO N=c1cc(C[NH3+])ncn1-c1ccc2ccc3ccc(Br)cc3c2c1 ZINC001167362302 838984984 /nfs/dbraw/zinc/98/49/84/838984984.db2.gz TWXSMINUSHKFPB-UHFFFAOYSA-N 1 1 379.261 3.879 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000549431350 839056654 /nfs/dbraw/zinc/05/66/54/839056654.db2.gz WLCMEGAMMFCXOE-INIZCTEOSA-N 1 1 375.469 3.520 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000397966427 844395187 /nfs/dbraw/zinc/39/51/87/844395187.db2.gz GZYASUQCJLWFBW-XJKSGUPXSA-N 1 1 383.477 3.922 20 5 GHBDMO CN(C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC000549174293 839167526 /nfs/dbraw/zinc/16/75/26/839167526.db2.gz WLOHIFZSLLUSDG-NRFANRHFSA-N 1 1 381.476 3.605 20 5 GHBDMO CN(C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC000549174293 839167534 /nfs/dbraw/zinc/16/75/34/839167534.db2.gz WLOHIFZSLLUSDG-NRFANRHFSA-N 1 1 381.476 3.605 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000541104323 839198043 /nfs/dbraw/zinc/19/80/43/839198043.db2.gz ONCPXVWALDDUSJ-CQSZACIVSA-N 1 1 378.473 3.626 20 5 GHBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000379838846 839549571 /nfs/dbraw/zinc/54/95/71/839549571.db2.gz ZVIXHBBPTSRGGI-CQSZACIVSA-N 1 1 391.269 3.686 20 5 GHBDMO COc1c(O)ccc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020214 839952432 /nfs/dbraw/zinc/95/24/32/839952432.db2.gz NUOYCWHAKXPYJW-SUMWQHHRSA-N 1 1 391.493 3.543 20 5 GHBDMO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020214 839952438 /nfs/dbraw/zinc/95/24/38/839952438.db2.gz NUOYCWHAKXPYJW-SUMWQHHRSA-N 1 1 391.493 3.543 20 5 GHBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160439 840076276 /nfs/dbraw/zinc/07/62/76/840076276.db2.gz NMTNIWNBVBEZPP-LIRRHRJNSA-N 1 1 375.856 3.950 20 5 GHBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160439 840076284 /nfs/dbraw/zinc/07/62/84/840076284.db2.gz NMTNIWNBVBEZPP-LIRRHRJNSA-N 1 1 375.856 3.950 20 5 GHBDMO O=C1CCCCN1CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000580789505 840190027 /nfs/dbraw/zinc/19/00/27/840190027.db2.gz BXNGYXCADLKVRW-UHFFFAOYSA-N 1 1 399.413 3.838 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000047127983 840216503 /nfs/dbraw/zinc/21/65/03/840216503.db2.gz SKMXNERNQALUOI-IYBDPMFKSA-N 1 1 398.463 3.526 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000047127983 840216514 /nfs/dbraw/zinc/21/65/14/840216514.db2.gz SKMXNERNQALUOI-IYBDPMFKSA-N 1 1 398.463 3.526 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000177822206 840226240 /nfs/dbraw/zinc/22/62/40/840226240.db2.gz UOPMOZNUPTUCBL-INIZCTEOSA-N 1 1 387.436 3.598 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000177822206 840226247 /nfs/dbraw/zinc/22/62/47/840226247.db2.gz UOPMOZNUPTUCBL-INIZCTEOSA-N 1 1 387.436 3.598 20 5 GHBDMO CNC(=O)c1ccc(NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000511605133 840486089 /nfs/dbraw/zinc/48/60/89/840486089.db2.gz SXMJRZZBGFSZNZ-SJLPKXTDSA-N 1 1 396.491 3.667 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC4(C3)Oc3ccccc3O4)o2)c1 ZINC000566819943 840504477 /nfs/dbraw/zinc/50/44/77/840504477.db2.gz CGCYCCMBBUHWBB-UHFFFAOYSA-N 1 1 393.399 3.666 20 5 GHBDMO O=[N+]([O-])c1cccc2c(NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccnc21 ZINC000432172944 840928165 /nfs/dbraw/zinc/92/81/65/840928165.db2.gz RARVTVNFRCOMOG-SFHVURJKSA-N 1 1 392.459 3.846 20 5 GHBDMO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500014253 841260811 /nfs/dbraw/zinc/26/08/11/841260811.db2.gz ZDAOWXKZJCIECQ-MJGOQNOKSA-N 1 1 396.491 3.691 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000302078005 861198571 /nfs/dbraw/zinc/19/85/71/861198571.db2.gz HWSPIXQMLCOMFF-UHFFFAOYSA-N 1 1 384.367 3.627 20 5 GHBDMO COc1cc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000581460573 841436830 /nfs/dbraw/zinc/43/68/30/841436830.db2.gz WCTPVTPEXPSGEA-SFHVURJKSA-N 1 1 397.475 3.636 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)cn1 ZINC000302136581 861214853 /nfs/dbraw/zinc/21/48/53/861214853.db2.gz BJRGABFBWZZEJS-UHFFFAOYSA-N 1 1 375.335 3.697 20 5 GHBDMO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000108364638 841601770 /nfs/dbraw/zinc/60/17/70/841601770.db2.gz PHYQHENPNODLLO-UHFFFAOYSA-N 1 1 384.274 3.949 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000108805221 841698867 /nfs/dbraw/zinc/69/88/67/841698867.db2.gz WVIHTYJNXDQXAV-HUUCEWRRSA-N 1 1 379.526 3.702 20 5 GHBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000302186654 861234727 /nfs/dbraw/zinc/23/47/27/861234727.db2.gz VMLKRPNLMFUNSQ-MSOLQXFVSA-N 1 1 382.464 3.632 20 5 GHBDMO C[C@@]1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000312717866 841913913 /nfs/dbraw/zinc/91/39/13/841913913.db2.gz UMMKELSBVLHEFW-FQEVSTJZSA-N 1 1 387.867 3.890 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000510462201 842160018 /nfs/dbraw/zinc/16/00/18/842160018.db2.gz WAICACDPDPINKQ-SMDDNHRTSA-N 1 1 398.301 3.611 20 5 GHBDMO CC[C@H](Nc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471692932 842173261 /nfs/dbraw/zinc/17/32/61/842173261.db2.gz LNXOMAHPWWSPCZ-GHTZIAJQSA-N 1 1 385.464 3.695 20 5 GHBDMO CC[C@H](Nc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471692932 842173267 /nfs/dbraw/zinc/17/32/67/842173267.db2.gz LNXOMAHPWWSPCZ-GHTZIAJQSA-N 1 1 385.464 3.695 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000603857864 861283266 /nfs/dbraw/zinc/28/32/66/861283266.db2.gz VUZSQSXNMUNRPR-HNNXBMFYSA-N 1 1 382.464 3.680 20 5 GHBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000471808327 842634333 /nfs/dbraw/zinc/63/43/33/842634333.db2.gz DTPJTHZIFPJWDY-ZYHUDNBSSA-N 1 1 381.226 3.572 20 5 GHBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000471808323 842635138 /nfs/dbraw/zinc/63/51/38/842635138.db2.gz DTPJTHZIFPJWDY-JQWIXIFHSA-N 1 1 381.226 3.572 20 5 GHBDMO C[C@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581918549 842685806 /nfs/dbraw/zinc/68/58/06/842685806.db2.gz DPEBRQZBCCOLAT-ROUUACIJSA-N 1 1 381.476 3.821 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000603895575 861346318 /nfs/dbraw/zinc/34/63/18/861346318.db2.gz URCDRAKGNIUBMR-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236888805 842882302 /nfs/dbraw/zinc/88/23/02/842882302.db2.gz FDBVINKLLMBHNU-NEPJUHHUSA-N 1 1 379.844 3.901 20 5 GHBDMO CC(C)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000481435352 861354561 /nfs/dbraw/zinc/35/45/61/861354561.db2.gz LTISXBGPZXPKBI-ICSRJNTNSA-N 1 1 399.491 3.765 20 5 GHBDMO COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430866617 843109156 /nfs/dbraw/zinc/10/91/56/843109156.db2.gz HNHYHIPKDUEINS-UXHICEINSA-N 1 1 398.459 3.936 20 5 GHBDMO COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430866617 843109162 /nfs/dbraw/zinc/10/91/62/843109162.db2.gz HNHYHIPKDUEINS-UXHICEINSA-N 1 1 398.459 3.936 20 5 GHBDMO COc1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430882370 843139889 /nfs/dbraw/zinc/13/98/89/843139889.db2.gz JXCBSJWJSKKQNU-UXHICEINSA-N 1 1 398.459 3.936 20 5 GHBDMO COc1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430882370 843139894 /nfs/dbraw/zinc/13/98/94/843139894.db2.gz JXCBSJWJSKKQNU-UXHICEINSA-N 1 1 398.459 3.936 20 5 GHBDMO COc1cc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000512261312 843253190 /nfs/dbraw/zinc/25/31/90/843253190.db2.gz NMTXRVIFGFYDNK-QFIPXVFZSA-N 1 1 381.476 3.701 20 5 GHBDMO COc1cc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000510808318 843528544 /nfs/dbraw/zinc/52/85/44/843528544.db2.gz XLTSBBIDSISJPT-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000247472179 843560545 /nfs/dbraw/zinc/56/05/45/843560545.db2.gz SALRFIQRTIQLTQ-WYOXUNLESA-N 1 1 385.489 3.869 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](Cc2cccs2)CC1 ZINC000015518519 843921212 /nfs/dbraw/zinc/92/12/12/843921212.db2.gz XWRJNNKWXMEOKK-AWEZNQCLSA-N 1 1 399.476 3.585 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512475901 843952242 /nfs/dbraw/zinc/95/22/42/843952242.db2.gz WIPMMGUKEGSQKU-FPOVZHCZSA-N 1 1 394.519 3.548 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)cc1F ZINC000599677994 861475926 /nfs/dbraw/zinc/47/59/26/861475926.db2.gz HJMBLDIOKAKLKX-OAHLLOKOSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)cc1F ZINC000599677994 861475931 /nfs/dbraw/zinc/47/59/31/861475931.db2.gz HJMBLDIOKAKLKX-OAHLLOKOSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000176189570 844744000 /nfs/dbraw/zinc/74/40/00/844744000.db2.gz BEDVUGOJWATJRC-CYBMUJFWSA-N 1 1 380.404 3.589 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000513174298 845010269 /nfs/dbraw/zinc/01/02/69/845010269.db2.gz RISJVAPXNHUAPT-NWDGAFQWSA-N 1 1 378.392 3.933 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000433061392 845104925 /nfs/dbraw/zinc/10/49/25/845104925.db2.gz KOUOKIQJVNIAQL-MAUKXSAKSA-N 1 1 397.475 3.982 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000433061392 845104927 /nfs/dbraw/zinc/10/49/27/845104927.db2.gz KOUOKIQJVNIAQL-MAUKXSAKSA-N 1 1 397.475 3.982 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000513248916 845119361 /nfs/dbraw/zinc/11/93/61/845119361.db2.gz KGAFFOAQSUHACO-APWZRJJASA-N 1 1 399.516 3.856 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000538234713 845323547 /nfs/dbraw/zinc/32/35/47/845323547.db2.gz GAGYAHTZUPOFDI-GJZGRUSLSA-N 1 1 379.526 3.946 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047216312 845391092 /nfs/dbraw/zinc/39/10/92/845391092.db2.gz ZYNRSRZRIINFPV-IXDOHACOSA-N 1 1 393.553 3.950 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843811545 861567635 /nfs/dbraw/zinc/56/76/35/861567635.db2.gz PRPCDTBQYGSMSM-QGZVFWFLSA-N 1 1 385.439 3.636 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000182601886 845495314 /nfs/dbraw/zinc/49/53/14/845495314.db2.gz ARQIPLPKCMFIGG-HNNXBMFYSA-N 1 1 380.448 3.944 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000182825633 845557269 /nfs/dbraw/zinc/55/72/69/845557269.db2.gz LEKHEIQGGLWQOO-QGZVFWFLSA-N 1 1 399.466 3.880 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000182825633 845557279 /nfs/dbraw/zinc/55/72/79/845557279.db2.gz LEKHEIQGGLWQOO-QGZVFWFLSA-N 1 1 399.466 3.880 20 5 GHBDMO CCc1ccc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000472079876 845748799 /nfs/dbraw/zinc/74/87/99/845748799.db2.gz XPVLRBXQCMNBCS-KRWDZBQOSA-N 1 1 381.476 3.894 20 5 GHBDMO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000511059847 846154018 /nfs/dbraw/zinc/15/40/18/846154018.db2.gz OXPDQBFBQGHNFC-INIZCTEOSA-N 1 1 387.480 3.578 20 5 GHBDMO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000511059847 846154024 /nfs/dbraw/zinc/15/40/24/846154024.db2.gz OXPDQBFBQGHNFC-INIZCTEOSA-N 1 1 387.480 3.578 20 5 GHBDMO CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000072014723 846198169 /nfs/dbraw/zinc/19/81/69/846198169.db2.gz VUVIPCRGLSAYRK-FXAWDEMLSA-N 1 1 381.476 3.821 20 5 GHBDMO Cc1cc(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1CC(F)(F)F ZINC000511073668 846311210 /nfs/dbraw/zinc/31/12/10/846311210.db2.gz QFAIGUAUEGPNJW-UHFFFAOYSA-N 1 1 397.397 3.933 20 5 GHBDMO Cc1cc(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1CC(F)(F)F ZINC000511073668 846311221 /nfs/dbraw/zinc/31/12/21/846311221.db2.gz QFAIGUAUEGPNJW-UHFFFAOYSA-N 1 1 397.397 3.933 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000421762256 846557501 /nfs/dbraw/zinc/55/75/01/846557501.db2.gz MCQQHKJLMMEHFS-IBGZPJMESA-N 1 1 381.476 3.506 20 5 GHBDMO Cc1cc(F)cc([C@@]2(F)CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000502886902 846580014 /nfs/dbraw/zinc/58/00/14/846580014.db2.gz INYMVQTVWQGVRW-HXUWFJFHSA-N 1 1 389.402 3.942 20 5 GHBDMO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000502886902 846580025 /nfs/dbraw/zinc/58/00/25/846580025.db2.gz INYMVQTVWQGVRW-HXUWFJFHSA-N 1 1 389.402 3.942 20 5 GHBDMO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1Cl ZINC000183786715 847099934 /nfs/dbraw/zinc/09/99/34/847099934.db2.gz NQIAUNTXZAGKSV-LLVKDONJSA-N 1 1 377.803 3.627 20 5 GHBDMO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126429 847256926 /nfs/dbraw/zinc/25/69/26/847256926.db2.gz PYVOFPXMALTXQW-CRAIPNDOSA-N 1 1 387.505 3.883 20 5 GHBDMO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126429 847256933 /nfs/dbraw/zinc/25/69/33/847256933.db2.gz PYVOFPXMALTXQW-CRAIPNDOSA-N 1 1 387.505 3.883 20 5 GHBDMO Nc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000375707998 847327759 /nfs/dbraw/zinc/32/77/59/847327759.db2.gz PPHWDRHLQZWOJC-UHFFFAOYSA-N 1 1 393.447 3.909 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000582503394 847419857 /nfs/dbraw/zinc/41/98/57/847419857.db2.gz IAHRAKORNPWJBG-HNNXBMFYSA-N 1 1 387.411 3.561 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000511145086 847457666 /nfs/dbraw/zinc/45/76/66/847457666.db2.gz VFQGEJVPAIFPIX-KRWDZBQOSA-N 1 1 396.491 3.669 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420939921 847559382 /nfs/dbraw/zinc/55/93/82/847559382.db2.gz CLTFDHOSBIEFRY-LBPRGKRZSA-N 1 1 389.374 3.596 20 5 GHBDMO COc1cc(C[NH+]2CCC(N3CCc4ccccc43)CC2)c([N+](=O)[O-])cc1F ZINC000503371935 847635028 /nfs/dbraw/zinc/63/50/28/847635028.db2.gz GBYGLSUOTBCYMO-UHFFFAOYSA-N 1 1 385.439 3.770 20 5 GHBDMO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000479450833 847639716 /nfs/dbraw/zinc/63/97/16/847639716.db2.gz GQJGUZIKIHAEDW-GOSISDBHSA-N 1 1 398.431 3.634 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N(C)[C@H]3CCC[N@@H+](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000479480972 847656565 /nfs/dbraw/zinc/65/65/65/847656565.db2.gz FXCRRKQMUZGURJ-SFHVURJKSA-N 1 1 382.464 3.686 20 5 GHBDMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000604126677 861857897 /nfs/dbraw/zinc/85/78/97/861857897.db2.gz QPLKRDFPSVJIBE-QGZVFWFLSA-N 1 1 382.464 3.573 20 5 GHBDMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000755207094 848146658 /nfs/dbraw/zinc/14/66/58/848146658.db2.gz OUCBOHYSIMADGO-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO CCOC(=O)c1ccnc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1[N+](=O)[O-] ZINC000132204780 861956170 /nfs/dbraw/zinc/95/61/70/861956170.db2.gz FACMRELLQDFPCV-UHFFFAOYSA-N 1 1 381.392 3.674 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])cc1 ZINC000604199950 861968101 /nfs/dbraw/zinc/96/81/01/861968101.db2.gz XWTMLQARNPCXPX-MRXNPFEDSA-N 1 1 385.489 3.878 20 5 GHBDMO C[N@H+]1C[C@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[C@@H](c2ccccc2)C1 ZINC000599987842 861985873 /nfs/dbraw/zinc/98/58/73/861985873.db2.gz RTPNTENLNWGMHU-NNWRFLSQSA-N 1 1 393.487 3.646 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[C@H]1c1ccccc1 ZINC000248029487 849195895 /nfs/dbraw/zinc/19/58/95/849195895.db2.gz KAAAWHRCQNZZDY-LEWJYISDSA-N 1 1 394.475 3.714 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600472092 862041224 /nfs/dbraw/zinc/04/12/24/862041224.db2.gz MNPUXGHSIFWZEW-INIZCTEOSA-N 1 1 377.510 3.844 20 5 GHBDMO Cc1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000425237129 849883714 /nfs/dbraw/zinc/88/37/14/849883714.db2.gz KRIBCVKPDPMIEP-MRXNPFEDSA-N 1 1 391.475 3.906 20 5 GHBDMO COc1ccc(CC2CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)cc1 ZINC000504548706 850141499 /nfs/dbraw/zinc/14/14/99/850141499.db2.gz QXEQGWWMBIFKPU-UHFFFAOYSA-N 1 1 397.475 3.805 20 5 GHBDMO C[N@@H+](CCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCCC1 ZINC000437926013 850191000 /nfs/dbraw/zinc/19/10/00/850191000.db2.gz ASPFQRMDGJKETJ-UHFFFAOYSA-N 1 1 388.512 3.923 20 5 GHBDMO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000435372856 850422287 /nfs/dbraw/zinc/42/22/87/850422287.db2.gz LENVGPAWTJHCLN-VXGBXAGGSA-N 1 1 394.269 3.786 20 5 GHBDMO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435381041 850446393 /nfs/dbraw/zinc/44/63/93/850446393.db2.gz UTMRAXUWASILQJ-SJLPKXTDSA-N 1 1 391.475 3.617 20 5 GHBDMO C[NH2+]CC1CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000435394116 850462049 /nfs/dbraw/zinc/46/20/49/850462049.db2.gz MBAIXKMPJDKNPX-UHFFFAOYSA-N 1 1 399.491 3.614 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000425375072 850495995 /nfs/dbraw/zinc/49/59/95/850495995.db2.gz SYGBZSZIRORAPE-KRWDZBQOSA-N 1 1 382.407 3.977 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000425375072 850496005 /nfs/dbraw/zinc/49/60/05/850496005.db2.gz SYGBZSZIRORAPE-KRWDZBQOSA-N 1 1 382.407 3.977 20 5 GHBDMO COCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCOC1 ZINC000426525418 850565762 /nfs/dbraw/zinc/56/57/62/850565762.db2.gz WBLXUQIBAYPQPQ-AWEZNQCLSA-N 1 1 380.828 3.746 20 5 GHBDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000132574522 862169759 /nfs/dbraw/zinc/16/97/59/862169759.db2.gz GBVWOQMRZFZDCW-HNNXBMFYSA-N 1 1 398.488 3.881 20 5 GHBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000440312540 851029492 /nfs/dbraw/zinc/02/94/92/851029492.db2.gz FFFXOAGLAISNNH-ZDUSSCGKSA-N 1 1 385.251 3.642 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000488055856 851127158 /nfs/dbraw/zinc/12/71/58/851127158.db2.gz JINUFOIDYRAOAS-KXBFYZLASA-N 1 1 385.439 3.884 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000488055856 851127165 /nfs/dbraw/zinc/12/71/65/851127165.db2.gz JINUFOIDYRAOAS-KXBFYZLASA-N 1 1 385.439 3.884 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000604476177 862219860 /nfs/dbraw/zinc/21/98/60/862219860.db2.gz CCRIFBDHRDCZJV-GOSISDBHSA-N 1 1 382.464 3.937 20 5 GHBDMO CN(C(=O)C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000604521197 862242994 /nfs/dbraw/zinc/24/29/94/862242994.db2.gz BSXVBURHUUUHHO-GCJKJVERSA-N 1 1 397.475 3.657 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521538 862244290 /nfs/dbraw/zinc/24/42/90/862244290.db2.gz PSBWARHDUJUQDL-GCJKJVERSA-N 1 1 397.475 3.941 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000488472469 851543150 /nfs/dbraw/zinc/54/31/50/851543150.db2.gz UXRFMNGJXATKHR-HNAYVOBHSA-N 1 1 393.443 3.981 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000488480545 851551175 /nfs/dbraw/zinc/55/11/75/851551175.db2.gz CWUMLEQYUXKHLP-AUUYWEPGSA-N 1 1 387.867 3.889 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000488512210 851576429 /nfs/dbraw/zinc/57/64/29/851576429.db2.gz ZNADUHRGCSXRMB-UHFFFAOYSA-N 1 1 384.480 3.781 20 5 GHBDMO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000488513108 851577079 /nfs/dbraw/zinc/57/70/79/851577079.db2.gz KBNPQABAZGYZCR-JXFKEZNVSA-N 1 1 381.476 3.798 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000488529584 851586032 /nfs/dbraw/zinc/58/60/32/851586032.db2.gz JDBSPCJNFLGOSV-QAPCUYQASA-N 1 1 399.516 3.957 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436419635 851591881 /nfs/dbraw/zinc/59/18/81/851591881.db2.gz KALYSFRQBHOJRL-CQSZACIVSA-N 1 1 393.462 3.567 20 5 GHBDMO COCC1CC[NH+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000488680185 851691877 /nfs/dbraw/zinc/69/18/77/851691877.db2.gz CNLAZPNTVATAKP-OAQYLSRUSA-N 1 1 397.475 3.941 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000604550559 862272607 /nfs/dbraw/zinc/27/26/07/862272607.db2.gz AAGYIEDULHSBMQ-CQSZACIVSA-N 1 1 398.488 3.780 20 5 GHBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488767807 851756566 /nfs/dbraw/zinc/75/65/66/851756566.db2.gz KZQFTPFJHVDUEC-SPYBWZPUSA-N 1 1 381.480 3.527 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])cc1F ZINC000184303172 852086908 /nfs/dbraw/zinc/08/69/08/852086908.db2.gz OPGVOHMJBHPUSB-LBPRGKRZSA-N 1 1 387.411 3.942 20 5 GHBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000517556579 852094932 /nfs/dbraw/zinc/09/49/32/852094932.db2.gz UNJZJILRLXJZSJ-ZDUSSCGKSA-N 1 1 389.839 3.817 20 5 GHBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000517556579 852094944 /nfs/dbraw/zinc/09/49/44/852094944.db2.gz UNJZJILRLXJZSJ-ZDUSSCGKSA-N 1 1 389.839 3.817 20 5 GHBDMO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000490050112 852735464 /nfs/dbraw/zinc/73/54/64/852735464.db2.gz ZQSAAXIQIHLJOA-VIFPVBQESA-N 1 1 388.371 3.750 20 5 GHBDMO Cc1c(Br)c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000516602201 852764357 /nfs/dbraw/zinc/76/43/57/852764357.db2.gz FBZXOVSOSJTKMO-TZMCWYRMSA-N 1 1 395.301 3.514 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000913039104 853000557 /nfs/dbraw/zinc/00/05/57/853000557.db2.gz CWLQADHWDSUCQY-SFHVURJKSA-N 1 1 393.443 3.605 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)COc2ccccc2Cl)C2CC2)c1 ZINC000490421766 853006026 /nfs/dbraw/zinc/00/60/26/853006026.db2.gz VSYMCSROAHCOFL-QGZVFWFLSA-N 1 1 376.840 3.653 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000516898818 853140583 /nfs/dbraw/zinc/14/05/83/853140583.db2.gz IZNRHYFGKXUSHB-IBGZPJMESA-N 1 1 381.476 3.935 20 5 GHBDMO COc1cc(CN[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000518274617 853150807 /nfs/dbraw/zinc/15/08/07/853150807.db2.gz NOOGPWKXQIQWRZ-SFHVURJKSA-N 1 1 397.475 3.509 20 5 GHBDMO COc1cc(CN[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000518274617 853150810 /nfs/dbraw/zinc/15/08/10/853150810.db2.gz NOOGPWKXQIQWRZ-SFHVURJKSA-N 1 1 397.475 3.509 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426249725 853160134 /nfs/dbraw/zinc/16/01/34/853160134.db2.gz QSEKFWUNFNBWGZ-LJQANCHMSA-N 1 1 394.475 3.543 20 5 GHBDMO COc1cc(CN[C@@H]2CC[NH2+]CC2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414976355 853209522 /nfs/dbraw/zinc/20/95/22/853209522.db2.gz PQLMFLDEGQEYFZ-OAQYLSRUSA-N 1 1 399.491 3.660 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000518410677 853315147 /nfs/dbraw/zinc/31/51/47/853315147.db2.gz WMJTYTRQAUNHTI-VQIMIIECSA-N 1 1 382.464 3.572 20 5 GHBDMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000506120731 853470744 /nfs/dbraw/zinc/47/07/44/853470744.db2.gz CMDOVPGWLYJCFM-SFHVURJKSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000506120731 853470749 /nfs/dbraw/zinc/47/07/49/853470749.db2.gz CMDOVPGWLYJCFM-SFHVURJKSA-N 1 1 380.404 3.991 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)o1 ZINC000506135727 853549264 /nfs/dbraw/zinc/54/92/64/853549264.db2.gz JFDNDQIPUPKBGT-UHFFFAOYSA-N 1 1 379.416 3.883 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)[C@@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000425911132 853573026 /nfs/dbraw/zinc/57/30/26/853573026.db2.gz ARGSVPOGHJPZLE-AWEZNQCLSA-N 1 1 391.493 3.947 20 5 GHBDMO COc1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000571094314 853739164 /nfs/dbraw/zinc/73/91/64/853739164.db2.gz NEGKBJPWHTXUIZ-KRWDZBQOSA-N 1 1 389.521 3.927 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000588771331 854411421 /nfs/dbraw/zinc/41/14/21/854411421.db2.gz XRDGXMZFILLSBQ-KSSFIOAISA-N 1 1 385.489 3.710 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000589104905 854687269 /nfs/dbraw/zinc/68/72/69/854687269.db2.gz GREPTMYKXLFBMJ-CYBMUJFWSA-N 1 1 395.381 3.864 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)F)ccc1NCc1ccccc1C[NH+]1CCOCC1 ZINC000589105239 854687354 /nfs/dbraw/zinc/68/73/54/854687354.db2.gz AHOBFUUTODZHNU-UHFFFAOYSA-N 1 1 377.391 3.977 20 5 GHBDMO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000589205727 854749137 /nfs/dbraw/zinc/74/91/37/854749137.db2.gz GXMRXWKMOOYERB-ZDUSSCGKSA-N 1 1 389.839 3.751 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)c2)cc1 ZINC000589266775 854775451 /nfs/dbraw/zinc/77/54/51/854775451.db2.gz JTZOSUCJIJPRMQ-JOCHJYFZSA-N 1 1 392.459 3.749 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000589485140 854903527 /nfs/dbraw/zinc/90/35/27/854903527.db2.gz ZPDWAFZLKMLVRI-GOSISDBHSA-N 1 1 397.475 3.636 20 5 GHBDMO Cc1c[nH]nc1CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000589495984 854908188 /nfs/dbraw/zinc/90/81/88/854908188.db2.gz ULLLMWWWBQPBIP-UHFFFAOYSA-N 1 1 397.504 3.673 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(OCC3CCCCC3)CC2)c1 ZINC000589497653 854910143 /nfs/dbraw/zinc/91/01/43/854910143.db2.gz ZTYPEEYRJPICOU-UHFFFAOYSA-N 1 1 390.480 3.943 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2Cc2cccc(OC)c2)c1 ZINC000589497445 854910403 /nfs/dbraw/zinc/91/04/03/854910403.db2.gz XBZYWADLLLMWQN-GOSISDBHSA-N 1 1 384.432 3.597 20 5 GHBDMO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000441467528 855087988 /nfs/dbraw/zinc/08/79/88/855087988.db2.gz DXNKEMFFEJVSNI-KFKAGJAMSA-N 1 1 378.469 3.508 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)o1 ZINC000895069995 855337702 /nfs/dbraw/zinc/33/77/02/855337702.db2.gz AIHVPGBGMZWHBT-UHFFFAOYSA-N 1 1 394.431 3.642 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCc3nc[nH]c3C23CCOCC3)o1 ZINC000895069995 855337707 /nfs/dbraw/zinc/33/77/07/855337707.db2.gz AIHVPGBGMZWHBT-UHFFFAOYSA-N 1 1 394.431 3.642 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590600770 855505228 /nfs/dbraw/zinc/50/52/28/855505228.db2.gz MNLWRRUDJPLVRR-HOCLYGCPSA-N 1 1 379.420 3.980 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H]1C1CC1)Nc1cc(N2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000591013124 855721557 /nfs/dbraw/zinc/72/15/57/855721557.db2.gz WKTZOJGRAOUNPH-WOJBJXKFSA-N 1 1 398.507 3.787 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)Nc1cc(N2CC[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000591029756 855726263 /nfs/dbraw/zinc/72/62/63/855726263.db2.gz KLTBOYYQXYVOGJ-CPLUKWAASA-N 1 1 398.507 3.787 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000574765490 855849310 /nfs/dbraw/zinc/84/93/10/855849310.db2.gz LXNBIYZHNADMGF-CRAIPNDOSA-N 1 1 384.432 3.730 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000591266041 855872919 /nfs/dbraw/zinc/87/29/19/855872919.db2.gz QYUKKHMOVQJHJG-HXUWFJFHSA-N 1 1 396.443 3.735 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000591266041 855872924 /nfs/dbraw/zinc/87/29/24/855872924.db2.gz QYUKKHMOVQJHJG-HXUWFJFHSA-N 1 1 396.443 3.735 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000485011605 855991968 /nfs/dbraw/zinc/99/19/68/855991968.db2.gz ATIRJAKWEMQDDC-NEPJUHHUSA-N 1 1 386.399 3.533 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1)CC1CC1 ZINC000427716660 856630839 /nfs/dbraw/zinc/63/08/39/856630839.db2.gz ZZINOMJROOCSRR-UHFFFAOYSA-N 1 1 389.496 3.578 20 5 GHBDMO C[N@@H+](CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)Cc1ccccc1 ZINC000592132877 856678461 /nfs/dbraw/zinc/67/84/61/856678461.db2.gz PAEANDCAZFXDMT-HZCBDIJESA-N 1 1 397.519 3.832 20 5 GHBDMO CN(CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)Cc1ccccc1 ZINC000592132877 856678467 /nfs/dbraw/zinc/67/84/67/856678467.db2.gz PAEANDCAZFXDMT-HZCBDIJESA-N 1 1 397.519 3.832 20 5 GHBDMO CN(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)Cc1ccccc1 ZINC000592132877 856678475 /nfs/dbraw/zinc/67/84/75/856678475.db2.gz PAEANDCAZFXDMT-HZCBDIJESA-N 1 1 397.519 3.832 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139499 856688041 /nfs/dbraw/zinc/68/80/41/856688041.db2.gz HCFDMUVAVZUABT-FQEVSTJZSA-N 1 1 397.475 3.505 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000249876608 856746016 /nfs/dbraw/zinc/74/60/16/856746016.db2.gz MBGAXEWOYCFXKP-DOTOQJQBSA-N 1 1 383.448 3.728 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000542915786 856784062 /nfs/dbraw/zinc/78/40/62/856784062.db2.gz OOOKLXCCYBRIBM-MPGHIAIKSA-N 1 1 380.485 3.621 20 5 GHBDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000245493139 856901992 /nfs/dbraw/zinc/90/19/92/856901992.db2.gz KXDNXOYXRIUAGR-LZWOXQAQSA-N 1 1 394.903 3.522 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000245698166 857102774 /nfs/dbraw/zinc/10/27/74/857102774.db2.gz YPMNGUFBLIWSGF-IAGOWNOFSA-N 1 1 398.507 3.732 20 5 GHBDMO Cc1ccc(N2CCC(Nc3ncc(Br)cc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000301684099 857136915 /nfs/dbraw/zinc/13/69/15/857136915.db2.gz KSHRYUGBWXLBGP-UHFFFAOYSA-N 1 1 392.257 3.537 20 5 GHBDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000428162583 857162566 /nfs/dbraw/zinc/16/25/66/857162566.db2.gz HMZXFDIANUFRPE-AWEZNQCLSA-N 1 1 397.410 3.667 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000593042422 857195848 /nfs/dbraw/zinc/19/58/48/857195848.db2.gz PZZFETVQRFOYOK-UHFFFAOYSA-N 1 1 389.839 3.864 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000485941609 857233827 /nfs/dbraw/zinc/23/38/27/857233827.db2.gz BKIGQESLTWYBSN-CQSZACIVSA-N 1 1 383.473 3.713 20 5 GHBDMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246327437 857349020 /nfs/dbraw/zinc/34/90/20/857349020.db2.gz HRHOPULBMGMHIF-ROUUACIJSA-N 1 1 388.512 3.510 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246327437 857349028 /nfs/dbraw/zinc/34/90/28/857349028.db2.gz HRHOPULBMGMHIF-ROUUACIJSA-N 1 1 388.512 3.510 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246590497 857412362 /nfs/dbraw/zinc/41/23/62/857412362.db2.gz SUKHAZNEXZRBLU-VDZJLULYSA-N 1 1 386.496 3.623 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000486616229 857916762 /nfs/dbraw/zinc/91/67/62/857916762.db2.gz RPQYWXYPYRHNLQ-HNNXBMFYSA-N 1 1 379.526 3.805 20 5 GHBDMO COc1ccccc1[C@H](C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000066434525 858119977 /nfs/dbraw/zinc/11/99/77/858119977.db2.gz IKAWIAAOBOVJRB-INIZCTEOSA-N 1 1 385.464 3.691 20 5 GHBDMO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000066434525 858119984 /nfs/dbraw/zinc/11/99/84/858119984.db2.gz IKAWIAAOBOVJRB-INIZCTEOSA-N 1 1 385.464 3.691 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000078881435 858286924 /nfs/dbraw/zinc/28/69/24/858286924.db2.gz JHPYDZXYHUNIDB-IAGOWNOFSA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000078881435 858286931 /nfs/dbraw/zinc/28/69/31/858286931.db2.gz JHPYDZXYHUNIDB-IAGOWNOFSA-N 1 1 399.516 3.808 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000067068894 858420594 /nfs/dbraw/zinc/42/05/94/858420594.db2.gz QNEYBRLMCZQGCZ-UHFFFAOYSA-N 1 1 396.447 3.580 20 5 GHBDMO Cn1ncc2ccc(C[NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc21 ZINC000521949043 858464888 /nfs/dbraw/zinc/46/48/88/858464888.db2.gz UPMJRCXHLJMSTL-UHFFFAOYSA-N 1 1 379.445 3.895 20 5 GHBDMO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595354403 858516766 /nfs/dbraw/zinc/51/67/66/858516766.db2.gz CHHAKEVTSOSQCN-UHFFFAOYSA-N 1 1 390.390 3.659 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000595765482 858663313 /nfs/dbraw/zinc/66/33/13/858663313.db2.gz LOENUDRVEXAJKG-OAQYLSRUSA-N 1 1 394.431 3.817 20 5 GHBDMO CC[N@H+](CCOc1ccccc1OC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595879272 858725319 /nfs/dbraw/zinc/72/53/19/858725319.db2.gz QINLEOFIKKNGKI-UHFFFAOYSA-N 1 1 398.419 3.554 20 5 GHBDMO CC[N@@H+](CCOc1ccccc1OC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595879272 858725328 /nfs/dbraw/zinc/72/53/28/858725328.db2.gz QINLEOFIKKNGKI-UHFFFAOYSA-N 1 1 398.419 3.554 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC000596077053 858773724 /nfs/dbraw/zinc/77/37/24/858773724.db2.gz GYLKEWOBQXTCEO-HNNXBMFYSA-N 1 1 382.464 3.680 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080075636 858784997 /nfs/dbraw/zinc/78/49/97/858784997.db2.gz SOGJHZYOYZKXNQ-MRXNPFEDSA-N 1 1 376.501 3.641 20 5 GHBDMO COc1ccc(CN(C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000429255883 858832235 /nfs/dbraw/zinc/83/22/35/858832235.db2.gz QXNCMUBXRWXRFD-UHFFFAOYSA-N 1 1 397.475 3.619 20 5 GHBDMO C[C@@H]1SCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000543202098 858852000 /nfs/dbraw/zinc/85/20/00/858852000.db2.gz ALWDDZFAANBHOJ-KNBMTAEXSA-N 1 1 388.489 3.513 20 5 GHBDMO Cc1cc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000596424627 858893779 /nfs/dbraw/zinc/89/37/79/858893779.db2.gz UHDAMIJVADIPJT-SFHVURJKSA-N 1 1 392.459 3.630 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328347 881365843 /nfs/dbraw/zinc/36/58/43/881365843.db2.gz JXXQPFGZGNWCPH-IGCXYCKISA-N 1 1 390.402 3.560 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596829512 859112808 /nfs/dbraw/zinc/11/28/08/859112808.db2.gz PHQXFPNFFCRZHA-QGZVFWFLSA-N 1 1 386.496 3.676 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483097743 859135674 /nfs/dbraw/zinc/13/56/74/859135674.db2.gz MWOBDCSFHFXZKZ-OAHLLOKOSA-N 1 1 385.395 3.521 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597231663 859365784 /nfs/dbraw/zinc/36/57/84/859365784.db2.gz PFTJSMJJCTXCFZ-MJGOQNOKSA-N 1 1 398.459 3.651 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])cc1 ZINC000593324744 859409159 /nfs/dbraw/zinc/40/91/59/859409159.db2.gz ZHTPNEVMGQJVMA-RXVVDRJESA-N 1 1 391.475 3.824 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000483575316 859460580 /nfs/dbraw/zinc/46/05/80/859460580.db2.gz ORKUYWAQGFXMBK-FXAWDEMLSA-N 1 1 394.475 3.895 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000483575320 859460696 /nfs/dbraw/zinc/46/06/96/859460696.db2.gz ORKUYWAQGFXMBK-XLIONFOSSA-N 1 1 394.475 3.895 20 5 GHBDMO C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185129026 859487543 /nfs/dbraw/zinc/48/75/43/859487543.db2.gz WFPXCEGUNKYHMY-ZFWWWQNUSA-N 1 1 394.903 3.700 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC000764567937 859504510 /nfs/dbraw/zinc/50/45/10/859504510.db2.gz ZEBWTJMYRAAAOU-MRXNPFEDSA-N 1 1 385.439 3.779 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000117618397 859535030 /nfs/dbraw/zinc/53/50/30/859535030.db2.gz LBHYCTJIHQHGSO-KRWDZBQOSA-N 1 1 385.851 3.802 20 5 GHBDMO COc1ccc(C[C@H](C)N2CCC[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170339408 881441095 /nfs/dbraw/zinc/44/10/95/881441095.db2.gz BGPLTBJSXRJSDA-SFHVURJKSA-N 1 1 383.492 3.742 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170339408 881441109 /nfs/dbraw/zinc/44/11/09/881441109.db2.gz BGPLTBJSXRJSDA-SFHVURJKSA-N 1 1 383.492 3.742 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170339408 881441117 /nfs/dbraw/zinc/44/11/17/881441117.db2.gz BGPLTBJSXRJSDA-SFHVURJKSA-N 1 1 383.492 3.742 20 5 GHBDMO O=[N+]([O-])c1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000611112980 859610453 /nfs/dbraw/zinc/61/04/53/859610453.db2.gz ROYBTOCQNWOXNZ-GOSISDBHSA-N 1 1 378.428 3.546 20 5 GHBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@@H]1C ZINC000611216149 859653036 /nfs/dbraw/zinc/65/30/36/859653036.db2.gz DYWCMSHDDRNYJF-AWEZNQCLSA-N 1 1 377.510 3.796 20 5 GHBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@@H]1C ZINC000611216149 859653041 /nfs/dbraw/zinc/65/30/41/859653041.db2.gz DYWCMSHDDRNYJF-AWEZNQCLSA-N 1 1 377.510 3.796 20 5 GHBDMO C[N@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254173 859664856 /nfs/dbraw/zinc/66/48/56/859664856.db2.gz CTTDNLCDSCDOAU-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO C[N@@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254173 859664857 /nfs/dbraw/zinc/66/48/57/859664857.db2.gz CTTDNLCDSCDOAU-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000611279373 859678922 /nfs/dbraw/zinc/67/89/22/859678922.db2.gz APFMUASJJMOSKW-UHFFFAOYSA-N 1 1 378.432 3.944 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611351204 859714775 /nfs/dbraw/zinc/71/47/75/859714775.db2.gz XWYIITDWXKOYGT-ILXRZTDVSA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611351204 859714782 /nfs/dbraw/zinc/71/47/82/859714782.db2.gz XWYIITDWXKOYGT-ILXRZTDVSA-N 1 1 395.887 3.714 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765035285 859741822 /nfs/dbraw/zinc/74/18/22/859741822.db2.gz FJCPGCISRXUUFW-SFHVURJKSA-N 1 1 380.448 3.749 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000597710533 859757561 /nfs/dbraw/zinc/75/75/61/859757561.db2.gz OWCYKTLGOOCPOO-IBGZPJMESA-N 1 1 377.510 3.655 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4CC[N@H+](C)C[C@@H]43)c([N+](=O)[O-])c2)cc1 ZINC000611510238 859790720 /nfs/dbraw/zinc/79/07/20/859790720.db2.gz QMYBMVKOHNWESV-IERDGZPVSA-N 1 1 394.475 3.686 20 5 GHBDMO Cn1cc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092436184 860046628 /nfs/dbraw/zinc/04/66/28/860046628.db2.gz NHXVFAKRFSRPBI-HXUWFJFHSA-N 1 1 396.447 3.770 20 5 GHBDMO Cn1cc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092436184 860046636 /nfs/dbraw/zinc/04/66/36/860046636.db2.gz NHXVFAKRFSRPBI-HXUWFJFHSA-N 1 1 396.447 3.770 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170351583 881493539 /nfs/dbraw/zinc/49/35/39/881493539.db2.gz GJDDFQCPGSRPDE-HOCLYGCPSA-N 1 1 378.469 3.731 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)O1 ZINC000092486114 860060179 /nfs/dbraw/zinc/06/01/79/860060179.db2.gz BPGJPQLIKYHOMF-HRAATJIYSA-N 1 1 392.459 3.957 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)O1 ZINC000092486114 860060188 /nfs/dbraw/zinc/06/01/88/860060188.db2.gz BPGJPQLIKYHOMF-HRAATJIYSA-N 1 1 392.459 3.957 20 5 GHBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123734639 860063961 /nfs/dbraw/zinc/06/39/61/860063961.db2.gz UXKNCQBPWWUPRP-KDOFPFPSSA-N 1 1 391.830 3.810 20 5 GHBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000499903375 860140439 /nfs/dbraw/zinc/14/04/39/860140439.db2.gz JGUWVNOVSSMXET-RBUKOAKNSA-N 1 1 392.887 3.669 20 5 GHBDMO CC(C)(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598218102 860164327 /nfs/dbraw/zinc/16/43/27/860164327.db2.gz FZDNIRGLNPIKRO-CQSZACIVSA-N 1 1 377.460 3.535 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598221930 860166510 /nfs/dbraw/zinc/16/65/10/860166510.db2.gz YRKWQEUYCPWBBE-CYBMUJFWSA-N 1 1 385.386 3.750 20 5 GHBDMO C[N@@H+](CCCO)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000093394955 860263289 /nfs/dbraw/zinc/26/32/89/860263289.db2.gz VDEMFASMZGRXHT-UHFFFAOYSA-N 1 1 389.521 3.602 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598558073 860393734 /nfs/dbraw/zinc/39/37/34/860393734.db2.gz CCXNFRGERFMKCZ-MRXNPFEDSA-N 1 1 391.537 3.949 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474594787 860434329 /nfs/dbraw/zinc/43/43/29/860434329.db2.gz GCJABSPHHGDTLE-SFHVURJKSA-N 1 1 382.464 3.950 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H]2CCCn3nccc32)cc1OC ZINC000603029746 860438202 /nfs/dbraw/zinc/43/82/02/860438202.db2.gz NDCPKJFRMLWBQQ-ZBFHGGJFSA-N 1 1 388.468 3.850 20 5 GHBDMO COC(=O)c1ccnc(S[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598631437 860460750 /nfs/dbraw/zinc/46/07/50/860460750.db2.gz UCWZVOFGPLOWIO-OAHLLOKOSA-N 1 1 387.461 3.533 20 5 GHBDMO Cc1ccc(N2CCC(Nc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000301397818 860468636 /nfs/dbraw/zinc/46/86/36/860468636.db2.gz NZODPXIZCURLOJ-UHFFFAOYSA-N 1 1 397.479 3.517 20 5 GHBDMO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000155298253 860472033 /nfs/dbraw/zinc/47/20/33/860472033.db2.gz DSRGFNFRDCHCSY-AWEZNQCLSA-N 1 1 389.839 3.685 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000155298253 860472035 /nfs/dbraw/zinc/47/20/35/860472035.db2.gz DSRGFNFRDCHCSY-AWEZNQCLSA-N 1 1 389.839 3.685 20 5 GHBDMO Cn1cc(C[NH2+]Cc2nc3c(s2)CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000922700768 860489335 /nfs/dbraw/zinc/48/93/35/860489335.db2.gz UDPHVPITCGAXNJ-UHFFFAOYSA-N 1 1 383.477 3.620 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001168734581 860573981 /nfs/dbraw/zinc/57/39/81/860573981.db2.gz YOGONWPTOSSWOM-KGLIPLIRSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001168734581 860573984 /nfs/dbraw/zinc/57/39/84/860573984.db2.gz YOGONWPTOSSWOM-KGLIPLIRSA-N 1 1 383.286 3.996 20 5 GHBDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(C)noc1C ZINC000155901545 860632794 /nfs/dbraw/zinc/63/27/94/860632794.db2.gz QEOQROWWRJCISE-QMTHXVAHSA-N 1 1 380.832 3.921 20 5 GHBDMO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000598935431 860688542 /nfs/dbraw/zinc/68/85/42/860688542.db2.gz GWXZKVWQAWVKIU-UHFFFAOYSA-N 1 1 378.379 3.668 20 5 GHBDMO CC(C)c1ncc2c(n1)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000598935431 860688548 /nfs/dbraw/zinc/68/85/48/860688548.db2.gz GWXZKVWQAWVKIU-UHFFFAOYSA-N 1 1 378.379 3.668 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)CC2)[nH+]c1C ZINC000899514141 860964510 /nfs/dbraw/zinc/96/45/10/860964510.db2.gz MDNJIRRANWBUTI-UHFFFAOYSA-N 1 1 382.464 3.763 20 5 GHBDMO C[C@@H](O)CCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000475049503 863135403 /nfs/dbraw/zinc/13/54/03/863135403.db2.gz YZIUNEXVTQBCAO-MRXNPFEDSA-N 1 1 389.521 3.602 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000160145721 863348537 /nfs/dbraw/zinc/34/85/37/863348537.db2.gz VGMZAJXMVDWERW-UHFFFAOYSA-N 1 1 391.468 3.708 20 5 GHBDMO CN(C)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc[nH+]1 ZINC000444096859 863393686 /nfs/dbraw/zinc/39/36/86/863393686.db2.gz LWGVEQNCCCPKHE-UHFFFAOYSA-N 1 1 394.381 3.673 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444183057 863619837 /nfs/dbraw/zinc/61/98/37/863619837.db2.gz MAWWHXGENQBDFK-GUYCJALGSA-N 1 1 386.477 3.921 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444183057 863619843 /nfs/dbraw/zinc/61/98/43/863619843.db2.gz MAWWHXGENQBDFK-GUYCJALGSA-N 1 1 386.477 3.921 20 5 GHBDMO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)ccn1 ZINC000856724191 881688333 /nfs/dbraw/zinc/68/83/33/881688333.db2.gz XDFPVSVUORUMBQ-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000172842725 864024143 /nfs/dbraw/zinc/02/41/43/864024143.db2.gz GFNZAYXJQSOFAH-QGZVFWFLSA-N 1 1 388.512 3.532 20 5 GHBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172905126 864105099 /nfs/dbraw/zinc/10/50/99/864105099.db2.gz DCZQPHKYNICZLB-WMLDXEAASA-N 1 1 381.411 3.828 20 5 GHBDMO Cc1cn(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000734477966 864262577 /nfs/dbraw/zinc/26/25/77/864262577.db2.gz WNJVXIQDNWELPF-QFBILLFUSA-N 1 1 392.459 3.691 20 5 GHBDMO Cc1cn(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000734477966 864262590 /nfs/dbraw/zinc/26/25/90/864262590.db2.gz WNJVXIQDNWELPF-QFBILLFUSA-N 1 1 392.459 3.691 20 5 GHBDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000523007595 864435032 /nfs/dbraw/zinc/43/50/32/864435032.db2.gz RQTZTNIYUDHYDB-KSSFIOAISA-N 1 1 378.856 3.551 20 5 GHBDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000523007593 864435372 /nfs/dbraw/zinc/43/53/72/864435372.db2.gz RQTZTNIYUDHYDB-KBXCAEBGSA-N 1 1 378.856 3.551 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)OCc3cc([N+](=O)[O-])ccc3Cl)CC2)[nH+]c1 ZINC000734779992 864441847 /nfs/dbraw/zinc/44/18/47/864441847.db2.gz NXBODDBKDZPNOU-UHFFFAOYSA-N 1 1 389.839 3.911 20 5 GHBDMO Cc1[nH+]ccn1CCCCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792892927 881779980 /nfs/dbraw/zinc/77/99/80/881779980.db2.gz WEOOCUNDLKENDX-UHFFFAOYSA-N 1 1 393.285 3.701 20 5 GHBDMO CCN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1c1ncc[nH]1 ZINC000475349755 864826328 /nfs/dbraw/zinc/82/63/28/864826328.db2.gz IKMNZAMMJOBICQ-GOSISDBHSA-N 1 1 397.504 3.925 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000063549442 864939442 /nfs/dbraw/zinc/93/94/42/864939442.db2.gz LLZNVKBROSACTM-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000063549442 864939456 /nfs/dbraw/zinc/93/94/56/864939456.db2.gz LLZNVKBROSACTM-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1)CC1CC1 ZINC000444344208 864978320 /nfs/dbraw/zinc/97/83/20/864978320.db2.gz PYXRTQGRACXEIE-UHFFFAOYSA-N 1 1 389.496 3.578 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)c1ccc(C)cc1 ZINC000173832612 865093889 /nfs/dbraw/zinc/09/38/89/865093889.db2.gz ZFACOFHCUCTHMF-GOSISDBHSA-N 1 1 391.855 3.551 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)c1ccc(C)cc1 ZINC000173832612 865093900 /nfs/dbraw/zinc/09/39/00/865093900.db2.gz ZFACOFHCUCTHMF-GOSISDBHSA-N 1 1 391.855 3.551 20 5 GHBDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000736593307 865244404 /nfs/dbraw/zinc/24/44/04/865244404.db2.gz FBUSNMYTFWWDBA-YOEHRIQHSA-N 1 1 381.411 3.828 20 5 GHBDMO Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)sc1C ZINC000173957629 865252653 /nfs/dbraw/zinc/25/26/53/865252653.db2.gz VLVGDMOIIBWEOV-UHFFFAOYSA-N 1 1 382.873 3.785 20 5 GHBDMO CCCNC(=O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000121300669 865378235 /nfs/dbraw/zinc/37/82/35/865378235.db2.gz LKMWIBWRJZLKMD-UHFFFAOYSA-N 1 1 377.828 3.656 20 5 GHBDMO CCOc1cc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000555065374 865426526 /nfs/dbraw/zinc/42/65/26/865426526.db2.gz PAFRVFOOMOHUOH-UHFFFAOYSA-N 1 1 393.447 3.739 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000737934820 865456664 /nfs/dbraw/zinc/45/66/64/865456664.db2.gz OJMVJVDOGDLWNU-YHYXMXQVSA-N 1 1 385.489 3.576 20 5 GHBDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128479361 865461801 /nfs/dbraw/zinc/46/18/01/865461801.db2.gz GKULUKXMFLWAOQ-AUUYWEPGSA-N 1 1 387.411 3.525 20 5 GHBDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128479361 865461810 /nfs/dbraw/zinc/46/18/10/865461810.db2.gz GKULUKXMFLWAOQ-AUUYWEPGSA-N 1 1 387.411 3.525 20 5 GHBDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000738055576 865488365 /nfs/dbraw/zinc/48/83/65/865488365.db2.gz KQKOJZJCHRGLQB-WMZOPIPTSA-N 1 1 377.448 3.997 20 5 GHBDMO C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185493349 866146499 /nfs/dbraw/zinc/14/64/99/866146499.db2.gz CASQXXWEOCVQKJ-VYDXJSESSA-N 1 1 385.439 3.617 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000475545090 866230478 /nfs/dbraw/zinc/23/04/78/866230478.db2.gz DEOJFSUKYDHMLB-AEFFLSMTSA-N 1 1 382.464 3.996 20 5 GHBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534249995 866373759 /nfs/dbraw/zinc/37/37/59/866373759.db2.gz QTZWNVBVFARPKI-UHFFFAOYSA-N 1 1 397.450 3.862 20 5 GHBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000121440523 866374263 /nfs/dbraw/zinc/37/42/63/866374263.db2.gz ROMHEPLLQGVTOP-KRWDZBQOSA-N 1 1 389.839 3.751 20 5 GHBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000121440523 866374275 /nfs/dbraw/zinc/37/42/75/866374275.db2.gz ROMHEPLLQGVTOP-KRWDZBQOSA-N 1 1 389.839 3.751 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ccccc1Cl ZINC000534248397 866374475 /nfs/dbraw/zinc/37/44/75/866374475.db2.gz WDFJLTXSYITKJJ-QGZVFWFLSA-N 1 1 386.839 3.762 20 5 GHBDMO Cc1cccc(C2(O)CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000741808135 866804470 /nfs/dbraw/zinc/80/44/70/866804470.db2.gz GFIAXRUDJSIACX-KRWDZBQOSA-N 1 1 397.475 3.522 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183629680 866907397 /nfs/dbraw/zinc/90/73/97/866907397.db2.gz ADKKJEQUMGFQQL-HNNXBMFYSA-N 1 1 383.452 3.686 20 5 GHBDMO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440485023 866963284 /nfs/dbraw/zinc/96/32/84/866963284.db2.gz HLIQVSYAIUBEIS-JSGCOSHPSA-N 1 1 378.379 3.839 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000742393931 867259085 /nfs/dbraw/zinc/25/90/85/867259085.db2.gz KPQPDIKILRMXFT-OAHLLOKOSA-N 1 1 376.457 3.618 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]1c1ccccc1 ZINC000534754724 867383156 /nfs/dbraw/zinc/38/31/56/867383156.db2.gz QXTGLGZOAXBTRW-QFBILLFUSA-N 1 1 381.457 3.985 20 5 GHBDMO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000534840802 867619964 /nfs/dbraw/zinc/61/99/64/867619964.db2.gz DKAOAPQXXRJJBN-OAQYLSRUSA-N 1 1 392.459 3.956 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000535244761 868424099 /nfs/dbraw/zinc/42/40/99/868424099.db2.gz ALQVGEFYOOWZLE-CYBMUJFWSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000535244761 868424113 /nfs/dbraw/zinc/42/41/13/868424113.db2.gz ALQVGEFYOOWZLE-CYBMUJFWSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)cc1 ZINC000743835678 868445633 /nfs/dbraw/zinc/44/56/33/868445633.db2.gz HKYHNCCJFDVOGM-UHFFFAOYSA-N 1 1 395.381 3.858 20 5 GHBDMO COc1cc(Cc2noc([C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445824523 869037090 /nfs/dbraw/zinc/03/70/90/869037090.db2.gz MYBAPPRWTORPOM-FRRDWIJNSA-N 1 1 390.440 3.520 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000446097905 869403764 /nfs/dbraw/zinc/40/37/64/869403764.db2.gz BCAVJKHYAWPXKW-UHFFFAOYSA-N 1 1 393.896 3.619 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000475702020 882298801 /nfs/dbraw/zinc/29/88/01/882298801.db2.gz RHMMLYRYKHTHKY-GDBMZVCRSA-N 1 1 388.420 3.713 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000475702020 882298808 /nfs/dbraw/zinc/29/88/08/882298808.db2.gz RHMMLYRYKHTHKY-GDBMZVCRSA-N 1 1 388.420 3.713 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462623680 869782684 /nfs/dbraw/zinc/78/26/84/869782684.db2.gz VRQZJCUFZUQQEC-UNMCSNQZSA-N 1 1 395.503 3.896 20 5 GHBDMO Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(OC(F)F)cc1C ZINC000539836666 869876450 /nfs/dbraw/zinc/87/64/50/869876450.db2.gz WUHMPGXXMFBELX-HNNXBMFYSA-N 1 1 392.406 3.894 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000446499871 869936461 /nfs/dbraw/zinc/93/64/61/869936461.db2.gz SDLLZBQCZTZESI-KRWDZBQOSA-N 1 1 376.844 3.981 20 5 GHBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000525096217 869999290 /nfs/dbraw/zinc/99/92/90/869999290.db2.gz SEVQNZMASNTTMS-OXQOHEQNSA-N 1 1 396.491 3.619 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000462753627 870002459 /nfs/dbraw/zinc/00/24/59/870002459.db2.gz LVBTYHZJXZJSLI-MJGOQNOKSA-N 1 1 375.513 3.934 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000746070557 870014149 /nfs/dbraw/zinc/01/41/49/870014149.db2.gz UIKWBHVXHAYJOE-UHFFFAOYSA-N 1 1 389.839 3.911 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](CCc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000746118904 870060175 /nfs/dbraw/zinc/06/01/75/870060175.db2.gz JFZPDNKEKFYGLQ-UHFFFAOYSA-N 1 1 383.448 3.639 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](CCc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000746118904 870060183 /nfs/dbraw/zinc/06/01/83/870060183.db2.gz JFZPDNKEKFYGLQ-UHFFFAOYSA-N 1 1 383.448 3.639 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000462771526 870068961 /nfs/dbraw/zinc/06/89/61/870068961.db2.gz FPJYLTVLWIHTJW-IOMROCGXSA-N 1 1 395.503 3.943 20 5 GHBDMO COc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195693 870149490 /nfs/dbraw/zinc/14/94/90/870149490.db2.gz YYINTSOXQQJTKT-LPHOPBHVSA-N 1 1 399.491 3.755 20 5 GHBDMO COc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195693 870149498 /nfs/dbraw/zinc/14/94/98/870149498.db2.gz YYINTSOXQQJTKT-LPHOPBHVSA-N 1 1 399.491 3.755 20 5 GHBDMO O=C(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@@H]1CCCc2ccccc21 ZINC000446713921 870220021 /nfs/dbraw/zinc/22/00/21/870220021.db2.gz BVZXYRIHCDNJNN-OAQYLSRUSA-N 1 1 379.460 3.537 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000446735022 870247711 /nfs/dbraw/zinc/24/77/11/870247711.db2.gz IGUGXSCRZNZILA-HNNXBMFYSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000446735022 870247722 /nfs/dbraw/zinc/24/77/22/870247722.db2.gz IGUGXSCRZNZILA-HNNXBMFYSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(OCC(F)(F)F)c(F)c3)nc2c1 ZINC000446840055 870562880 /nfs/dbraw/zinc/56/28/80/870562880.db2.gz WVAGDFCOPLDEJV-UHFFFAOYSA-N 1 1 398.316 3.841 20 5 GHBDMO CNc1c(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000462997715 870619558 /nfs/dbraw/zinc/61/95/58/870619558.db2.gz XVDWDQAMWYWBJF-OAHLLOKOSA-N 1 1 398.463 3.609 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@](CO)(c4ccccc4)C3)o2)c1 ZINC000463037575 870719126 /nfs/dbraw/zinc/71/91/26/870719126.db2.gz WKHGHHFKRZAIBW-QFIPXVFZSA-N 1 1 378.428 3.991 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1)CC1CC1 ZINC000538915552 870873393 /nfs/dbraw/zinc/87/33/93/870873393.db2.gz PGJITHGRDUWYJV-UHFFFAOYSA-N 1 1 389.496 3.578 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000181472519 871049036 /nfs/dbraw/zinc/04/90/36/871049036.db2.gz UNHBTCMIJZMFLW-HNNXBMFYSA-N 1 1 379.526 3.899 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[N@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169010977 871094199 /nfs/dbraw/zinc/09/41/99/871094199.db2.gz GWGDVBIYGGPPRO-UHOSZYNNSA-N 1 1 395.544 3.933 20 5 GHBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC001169024471 871124529 /nfs/dbraw/zinc/12/45/29/871124529.db2.gz HFVCUHVYCWDZGT-KNQAVFIVSA-N 1 1 379.504 3.839 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001169046682 871127860 /nfs/dbraw/zinc/12/78/60/871127860.db2.gz LSYFHEGKQNSIAQ-YTQUADARSA-N 1 1 389.496 3.726 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C)C1 ZINC000181789071 871474349 /nfs/dbraw/zinc/47/43/49/871474349.db2.gz BRPSHIOVGMLQRA-BXUZGUMPSA-N 1 1 388.390 3.808 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000182173343 871985792 /nfs/dbraw/zinc/98/57/92/871985792.db2.gz HNZHZVJZEWXGOQ-WMLDXEAASA-N 1 1 399.472 3.781 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000182173343 871985817 /nfs/dbraw/zinc/98/58/17/871985817.db2.gz HNZHZVJZEWXGOQ-WMLDXEAASA-N 1 1 399.472 3.781 20 5 GHBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447673575 872075054 /nfs/dbraw/zinc/07/50/54/872075054.db2.gz YYLVOQXMLDRXQX-NSHDSACASA-N 1 1 396.360 3.955 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)c1cnccc1C(N)=O ZINC001195438689 872421780 /nfs/dbraw/zinc/42/17/80/872421780.db2.gz LLOZPFXOYAZJMZ-UHFFFAOYSA-N 1 1 399.454 3.509 20 5 GHBDMO Cc1cccc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000552334676 872463553 /nfs/dbraw/zinc/46/35/53/872463553.db2.gz UOEGMMVKULRRKM-QFIPXVFZSA-N 1 1 379.460 3.641 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccc1[N+](=O)[O-] ZINC000541129082 872970716 /nfs/dbraw/zinc/97/07/16/872970716.db2.gz FYBHWJVLVUVXTL-ZDUSSCGKSA-N 1 1 384.358 3.656 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccc1[N+](=O)[O-] ZINC000541129082 872970725 /nfs/dbraw/zinc/97/07/25/872970725.db2.gz FYBHWJVLVUVXTL-ZDUSSCGKSA-N 1 1 384.358 3.656 20 5 GHBDMO COc1ccc([C@H](CO)[N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000549445784 873106029 /nfs/dbraw/zinc/10/60/29/873106029.db2.gz BPVKYEKUVMJJBM-KRWDZBQOSA-N 1 1 384.354 3.788 20 5 GHBDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000549445784 873106036 /nfs/dbraw/zinc/10/60/36/873106036.db2.gz BPVKYEKUVMJJBM-KRWDZBQOSA-N 1 1 384.354 3.788 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000541280523 873260875 /nfs/dbraw/zinc/26/08/75/873260875.db2.gz FMXDDWIROOSKBO-UHFFFAOYSA-N 1 1 394.884 3.652 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000541280523 873260885 /nfs/dbraw/zinc/26/08/85/873260885.db2.gz FMXDDWIROOSKBO-UHFFFAOYSA-N 1 1 394.884 3.652 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000541392119 873465905 /nfs/dbraw/zinc/46/59/05/873465905.db2.gz FISVWOHPKWNJDH-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000541392119 873465908 /nfs/dbraw/zinc/46/59/08/873465908.db2.gz FISVWOHPKWNJDH-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001129394545 882752666 /nfs/dbraw/zinc/75/26/66/882752666.db2.gz CCMYKSNUAKCJDW-OAHLLOKOSA-N 1 1 389.883 3.818 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CCN2CCOCC2(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545316 873805761 /nfs/dbraw/zinc/80/57/61/873805761.db2.gz HENWVAASDJKQGM-FQEVSTJZSA-N 1 1 387.480 3.540 20 5 GHBDMO CC(=O)NC[C@@H]1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CCO1 ZINC000769445994 874074865 /nfs/dbraw/zinc/07/48/65/874074865.db2.gz JPDUGVDHYUKAEA-MRXNPFEDSA-N 1 1 382.891 3.983 20 5 GHBDMO CC(=O)NC[C@@H]1C[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CCO1 ZINC000769445994 874074882 /nfs/dbraw/zinc/07/48/82/874074882.db2.gz JPDUGVDHYUKAEA-MRXNPFEDSA-N 1 1 382.891 3.983 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000769514421 874122543 /nfs/dbraw/zinc/12/25/43/874122543.db2.gz MFKCCKIJSYFKEA-SJORKVTESA-N 1 1 375.469 3.877 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000769514421 874122548 /nfs/dbraw/zinc/12/25/48/874122548.db2.gz MFKCCKIJSYFKEA-SJORKVTESA-N 1 1 375.469 3.877 20 5 GHBDMO COc1cc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000769812382 874301797 /nfs/dbraw/zinc/30/17/97/874301797.db2.gz KEJKHORWHSQWDG-UHFFFAOYSA-N 1 1 376.840 3.740 20 5 GHBDMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001198385950 874384156 /nfs/dbraw/zinc/38/41/56/874384156.db2.gz DGGGHJOTGLAWND-QGZVFWFLSA-N 1 1 383.448 3.763 20 5 GHBDMO C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000464767526 874460470 /nfs/dbraw/zinc/46/04/70/874460470.db2.gz GGMDWBGECWUCMP-IIBYNOLFSA-N 1 1 380.448 3.512 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001198706561 874598452 /nfs/dbraw/zinc/59/84/52/874598452.db2.gz QGJNALROBQCUSQ-HOCLYGCPSA-N 1 1 375.469 3.833 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000770327295 874602216 /nfs/dbraw/zinc/60/22/16/874602216.db2.gz RZBOTCORUPNSRN-MLGOLLRUSA-N 1 1 379.258 3.637 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000770327295 874602225 /nfs/dbraw/zinc/60/22/25/874602225.db2.gz RZBOTCORUPNSRN-MLGOLLRUSA-N 1 1 379.258 3.637 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770668212 874812032 /nfs/dbraw/zinc/81/20/32/874812032.db2.gz WNXHCDRRGDTQMI-SFHVURJKSA-N 1 1 389.249 3.989 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770668212 874812047 /nfs/dbraw/zinc/81/20/47/874812047.db2.gz WNXHCDRRGDTQMI-SFHVURJKSA-N 1 1 389.249 3.989 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1[N+](=O)[O-] ZINC000542033626 874819597 /nfs/dbraw/zinc/81/95/97/874819597.db2.gz VIBMCKGDVXFDFH-ZDUSSCGKSA-N 1 1 395.419 3.980 20 5 GHBDMO CC[N@H+](CCC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)CC1CC1 ZINC000770685906 874823077 /nfs/dbraw/zinc/82/30/77/874823077.db2.gz MQBJYRBSLMOUBF-UHFFFAOYSA-N 1 1 385.512 3.736 20 5 GHBDMO CC[N@@H+](CCC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)CC1CC1 ZINC000770685906 874823098 /nfs/dbraw/zinc/82/30/98/874823098.db2.gz MQBJYRBSLMOUBF-UHFFFAOYSA-N 1 1 385.512 3.736 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449545453 875010426 /nfs/dbraw/zinc/01/04/26/875010426.db2.gz YTGREWKOIFHKCM-KUHUBIRLSA-N 1 1 382.407 3.868 20 5 GHBDMO COc1cc(F)c([N+](=O)[O-])c(Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000771195644 875077604 /nfs/dbraw/zinc/07/76/04/875077604.db2.gz HIKZOSJJLAKOAR-CYBMUJFWSA-N 1 1 375.400 3.879 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000542209276 875186136 /nfs/dbraw/zinc/18/61/36/875186136.db2.gz AHDCRVFLGYRECW-IRXDYDNUSA-N 1 1 376.840 3.825 20 5 GHBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)C1 ZINC000465189845 875276444 /nfs/dbraw/zinc/27/64/44/875276444.db2.gz YKTJXQKPWSACNJ-ZDUSSCGKSA-N 1 1 375.450 3.629 20 5 GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000771631145 875348408 /nfs/dbraw/zinc/34/84/08/875348408.db2.gz MSWCXWPBKSIYRD-LBPRGKRZSA-N 1 1 393.465 3.741 20 5 GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000771631145 875348427 /nfs/dbraw/zinc/34/84/27/875348427.db2.gz MSWCXWPBKSIYRD-LBPRGKRZSA-N 1 1 393.465 3.741 20 5 GHBDMO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000449911481 875661655 /nfs/dbraw/zinc/66/16/55/875661655.db2.gz IJFGCFILAAKDEW-UHFFFAOYSA-N 1 1 385.386 3.704 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491396499 875666444 /nfs/dbraw/zinc/66/64/44/875666444.db2.gz PDROXKWEEZAOLD-SFHVURJKSA-N 1 1 386.496 3.533 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)CC(F)(F)F ZINC000176411459 876319117 /nfs/dbraw/zinc/31/91/17/876319117.db2.gz IKPGNPPOOZRVEW-GFCCVEGCSA-N 1 1 379.810 3.954 20 5 GHBDMO CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786136509 876502293 /nfs/dbraw/zinc/50/22/93/876502293.db2.gz SHTZTIJOZLDWOP-JXFKEZNVSA-N 1 1 385.464 3.676 20 5 GHBDMO CC(C)OCC[NH+]1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000173641459 876539973 /nfs/dbraw/zinc/53/99/73/876539973.db2.gz MNSKDCFMFPLTGF-UHFFFAOYSA-N 1 1 377.488 3.571 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000850431873 876915301 /nfs/dbraw/zinc/91/53/01/876915301.db2.gz MDFOGBAEASZDSQ-PXAZEXFGSA-N 1 1 384.354 3.704 20 5 GHBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000428717966 877348124 /nfs/dbraw/zinc/34/81/24/877348124.db2.gz LVJCFWWWZLNPBO-YLJYHZDGSA-N 1 1 394.475 3.895 20 5 GHBDMO CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610063696 877349265 /nfs/dbraw/zinc/34/92/65/877349265.db2.gz SLXOMPAGPXQEBO-UHFFFAOYSA-N 1 1 399.466 3.746 20 5 GHBDMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610063696 877349281 /nfs/dbraw/zinc/34/92/81/877349281.db2.gz SLXOMPAGPXQEBO-UHFFFAOYSA-N 1 1 399.466 3.746 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@]2(C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000530495435 877905031 /nfs/dbraw/zinc/90/50/31/877905031.db2.gz JGSFLBHEQRWVBU-NRFANRHFSA-N 1 1 386.448 3.529 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000530554937 878052294 /nfs/dbraw/zinc/05/22/94/878052294.db2.gz BXAWPZDKAHAPIT-USXIJHARSA-N 1 1 376.453 3.547 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000615796102 878118540 /nfs/dbraw/zinc/11/85/40/878118540.db2.gz QCTNHYFDLBHQSB-BRLLKYFNSA-N 1 1 394.475 3.982 20 5 GHBDMO Cn1c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nnc1-c1ccccc1 ZINC000451547653 878124320 /nfs/dbraw/zinc/12/43/20/878124320.db2.gz LIVYSPCZKFCWOV-SFHVURJKSA-N 1 1 377.448 3.770 20 5 GHBDMO Cn1c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nnc1-c1ccccc1 ZINC000451547653 878124331 /nfs/dbraw/zinc/12/43/31/878124331.db2.gz LIVYSPCZKFCWOV-SFHVURJKSA-N 1 1 377.448 3.770 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCOc2ccccc21 ZINC000451549143 878128482 /nfs/dbraw/zinc/12/84/82/878128482.db2.gz PABYGEYSEHXQJT-SFHVURJKSA-N 1 1 395.459 3.590 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnc(-c4ccsc4)s3)C2)nc1 ZINC000093534436 912322185 /nfs/dbraw/zinc/32/21/85/912322185.db2.gz OIPPKUXOTJTPPL-ZDUSSCGKSA-N 1 1 387.490 3.861 20 5 GHBDMO CC[C@@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591066 878267599 /nfs/dbraw/zinc/26/75/99/878267599.db2.gz AMMBAKTYJLLRQE-KUHUBIRLSA-N 1 1 396.447 3.578 20 5 GHBDMO CC[C@@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591066 878267616 /nfs/dbraw/zinc/26/76/16/878267616.db2.gz AMMBAKTYJLLRQE-KUHUBIRLSA-N 1 1 396.447 3.578 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000776590738 878276421 /nfs/dbraw/zinc/27/64/21/878276421.db2.gz FUEKXMQOHMKIOT-YPAWHYETSA-N 1 1 384.476 3.997 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1Cc1ccccc1 ZINC000531189280 879281803 /nfs/dbraw/zinc/28/18/03/879281803.db2.gz GFUOMORHORFRHQ-NVXWUHKLSA-N 1 1 392.459 3.859 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461439465 879812587 /nfs/dbraw/zinc/81/25/87/879812587.db2.gz ROBZNZNVKGDLSK-RTWAWAEBSA-N 1 1 393.487 3.508 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247915466 880085700 /nfs/dbraw/zinc/08/57/00/880085700.db2.gz AWSQIWZLADZYGC-RTWAWAEBSA-N 1 1 396.491 3.960 20 5 GHBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n1)OC2 ZINC000453174824 880541164 /nfs/dbraw/zinc/54/11/64/880541164.db2.gz AVGOXDOEYRZCCO-BBRMVZONSA-N 1 1 398.341 3.589 20 5 GHBDMO Cc1cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc([N+](=O)[O-])c1 ZINC000453279444 880720201 /nfs/dbraw/zinc/72/02/01/880720201.db2.gz AVKKKNGHWWDIOH-SFHVURJKSA-N 1 1 380.404 3.527 20 5 GHBDMO Cc1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc([N+](=O)[O-])c1 ZINC000453279444 880720206 /nfs/dbraw/zinc/72/02/06/880720206.db2.gz AVKKKNGHWWDIOH-SFHVURJKSA-N 1 1 380.404 3.527 20 5 GHBDMO CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000453291749 880738286 /nfs/dbraw/zinc/73/82/86/880738286.db2.gz VONPKMBZDHSHEH-YQVWRLOYSA-N 1 1 387.524 3.920 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000119999370 881258404 /nfs/dbraw/zinc/25/84/04/881258404.db2.gz SNUMVOYFKYESHY-UHFFFAOYSA-N 1 1 382.464 3.951 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001129801077 883178234 /nfs/dbraw/zinc/17/82/34/883178234.db2.gz KTSSDUXMKXYNON-QGZVFWFLSA-N 1 1 383.448 3.942 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000609506187 883300601 /nfs/dbraw/zinc/30/06/01/883300601.db2.gz LFEGLNMUYYXNFS-HOTGVXAUSA-N 1 1 387.505 3.712 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000509504227 883788259 /nfs/dbraw/zinc/78/82/59/883788259.db2.gz RJDWYHDNNAFBPN-PXNSSMCTSA-N 1 1 396.491 3.739 20 5 GHBDMO CC[C@@H](c1ccncc1)[N@H+](CC)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154765731 884022593 /nfs/dbraw/zinc/02/25/93/884022593.db2.gz NJCFNFHJGFEJGR-KRWDZBQOSA-N 1 1 383.452 3.663 20 5 GHBDMO CC[C@@H](c1ccncc1)[N@@H+](CC)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154765731 884022607 /nfs/dbraw/zinc/02/26/07/884022607.db2.gz NJCFNFHJGFEJGR-KRWDZBQOSA-N 1 1 383.452 3.663 20 5 GHBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001130368817 884096877 /nfs/dbraw/zinc/09/68/77/884096877.db2.gz AVHCUBVGXNYIOA-BZUAXINKSA-N 1 1 382.464 3.892 20 5 GHBDMO COc1c(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000476151033 884168755 /nfs/dbraw/zinc/16/87/55/884168755.db2.gz MDLKJINQKWTSMR-HNNXBMFYSA-N 1 1 399.447 3.576 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC(F)F)cc1 ZINC000026224302 884186664 /nfs/dbraw/zinc/18/66/64/884186664.db2.gz SUPNMVYMUJGPNP-UHFFFAOYSA-N 1 1 379.363 3.657 20 5 GHBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193101137 884212414 /nfs/dbraw/zinc/21/24/14/884212414.db2.gz MUJRIJVEBTZQBK-LEWJYISDSA-N 1 1 394.475 3.534 20 5 GHBDMO COc1c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cccc1[N+](=O)[O-] ZINC000476235252 884288168 /nfs/dbraw/zinc/28/81/68/884288168.db2.gz IANRSMGIALPXGN-CYBMUJFWSA-N 1 1 380.404 3.589 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000152584485 884297650 /nfs/dbraw/zinc/29/76/50/884297650.db2.gz CYZLWLJRECSTTJ-SNVBAGLBSA-N 1 1 397.353 3.700 20 5 GHBDMO C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+]1CCCC[C@H]1C ZINC000498483197 884558139 /nfs/dbraw/zinc/55/81/39/884558139.db2.gz XJVBRDGFYRBFQO-ZIAGYGMSSA-N 1 1 388.493 3.711 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000537485065 884561555 /nfs/dbraw/zinc/56/15/55/884561555.db2.gz YTVQEKMHNFZANT-AWEZNQCLSA-N 1 1 377.510 3.701 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000248878334 884892750 /nfs/dbraw/zinc/89/27/50/884892750.db2.gz RJJLHEOVOOIXRU-KBXCAEBGSA-N 1 1 385.489 3.567 20 5 GHBDMO CC(C)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1Cl ZINC000556512621 885208066 /nfs/dbraw/zinc/20/80/66/885208066.db2.gz KTZLBPYOZGSGJM-GDBMZVCRSA-N 1 1 380.876 3.525 20 5 GHBDMO COc1cccc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000194882125 885302311 /nfs/dbraw/zinc/30/23/11/885302311.db2.gz HVOUQPITZLFOPX-HNNXBMFYSA-N 1 1 383.448 3.810 20 5 GHBDMO C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272256444 885514959 /nfs/dbraw/zinc/51/49/59/885514959.db2.gz JEBCCYXOALYVCF-GDBMZVCRSA-N 1 1 387.867 3.889 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000532471078 885670302 /nfs/dbraw/zinc/67/03/02/885670302.db2.gz FHIXTHKUXQJKBC-ZVZYQTTQSA-N 1 1 375.469 3.833 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000495489116 885917891 /nfs/dbraw/zinc/91/78/91/885917891.db2.gz BWTRCNSAPSVJQZ-ZBFHGGJFSA-N 1 1 377.510 3.652 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000032446526 886544784 /nfs/dbraw/zinc/54/47/84/886544784.db2.gz ILRBDAZPAWLHNH-IBGZPJMESA-N 1 1 397.475 3.560 20 5 GHBDMO O=C(c1ccccc1)c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000499079641 886703362 /nfs/dbraw/zinc/70/33/62/886703362.db2.gz ZOYYROIXOKGKIZ-UHFFFAOYSA-N 1 1 376.416 3.933 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000794641188 887670454 /nfs/dbraw/zinc/67/04/54/887670454.db2.gz UEJSDSNFKZZODT-AWEZNQCLSA-N 1 1 385.395 3.869 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000794641188 887670463 /nfs/dbraw/zinc/67/04/63/887670463.db2.gz UEJSDSNFKZZODT-AWEZNQCLSA-N 1 1 385.395 3.869 20 5 GHBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000763109750 887678943 /nfs/dbraw/zinc/67/89/43/887678943.db2.gz RWAPGRPTZWKBDW-UHFFFAOYSA-N 1 1 386.452 3.583 20 5 GHBDMO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2c3ccccc3cc3ccccc32)NC(=O)NC1=O ZINC000809704787 887724684 /nfs/dbraw/zinc/72/46/84/887724684.db2.gz JIMPVPMHNUEXOW-UUOWRZLLSA-N 1 1 387.483 3.946 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000272588245 887934485 /nfs/dbraw/zinc/93/44/85/887934485.db2.gz ZRVXYPPFVZAJKO-OXQOHEQNSA-N 1 1 378.432 3.574 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000174815025 887996102 /nfs/dbraw/zinc/99/61/02/887996102.db2.gz FSRQXVZWDXFVLI-CQSZACIVSA-N 1 1 389.887 3.946 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000174815025 887996109 /nfs/dbraw/zinc/99/61/09/887996109.db2.gz FSRQXVZWDXFVLI-CQSZACIVSA-N 1 1 389.887 3.946 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000810128489 888195151 /nfs/dbraw/zinc/19/51/51/888195151.db2.gz NPAIEGLTLXFIAR-AWEZNQCLSA-N 1 1 398.419 3.871 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCO[C@H](c4ccccc4)C3)n2)c1 ZINC000609233389 888207032 /nfs/dbraw/zinc/20/70/32/888207032.db2.gz DPEZDMPDXZOFDH-SFHVURJKSA-N 1 1 380.404 3.608 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCO[C@H](c4ccccc4)C3)n2)c1 ZINC000609233389 888207082 /nfs/dbraw/zinc/20/70/82/888207082.db2.gz DPEZDMPDXZOFDH-SFHVURJKSA-N 1 1 380.404 3.608 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCO[C@@H](c4ccccc4)C3)n2)c1 ZINC000609233385 888208226 /nfs/dbraw/zinc/20/82/26/888208226.db2.gz DPEZDMPDXZOFDH-GOSISDBHSA-N 1 1 380.404 3.608 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCO[C@@H](c4ccccc4)C3)n2)c1 ZINC000609233385 888208353 /nfs/dbraw/zinc/20/83/53/888208353.db2.gz DPEZDMPDXZOFDH-GOSISDBHSA-N 1 1 380.404 3.608 20 5 GHBDMO C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000121888932 888346870 /nfs/dbraw/zinc/34/68/70/888346870.db2.gz NLODCSYKWADVJJ-KRWDZBQOSA-N 1 1 396.491 3.789 20 5 GHBDMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(-n2ccc([N+](=O)[O-])n2)n1 ZINC000301127754 888663776 /nfs/dbraw/zinc/66/37/76/888663776.db2.gz VJAXUXOFCVICJU-UHFFFAOYSA-N 1 1 380.433 3.514 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000027334450 888998931 /nfs/dbraw/zinc/99/89/31/888998931.db2.gz NUWZERFOBAVHQJ-PBHICJAKSA-N 1 1 389.477 3.622 20 5 GHBDMO O=C(C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533031278 889576590 /nfs/dbraw/zinc/57/65/90/889576590.db2.gz WPNAMAXOENWBLO-OAQYLSRUSA-N 1 1 377.444 3.636 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cccs1)C(C)C ZINC000533246725 890085304 /nfs/dbraw/zinc/08/53/04/890085304.db2.gz DXRRALBMCDIPBE-UHFFFAOYSA-N 1 1 377.466 3.904 20 5 GHBDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533256374 890110093 /nfs/dbraw/zinc/11/00/93/890110093.db2.gz OFLFWLCPMQYIIR-MRXNPFEDSA-N 1 1 385.420 3.735 20 5 GHBDMO Cc1c(NC(=O)NCCCC[N@H+](C)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000455353413 890807341 /nfs/dbraw/zinc/80/73/41/890807341.db2.gz KVJUCZNWMNVMNX-UHFFFAOYSA-N 1 1 399.289 3.662 20 5 GHBDMO C[N@H+](C[C@H]1CCCO[C@H]1c1ccccc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000747803934 890883337 /nfs/dbraw/zinc/88/33/37/890883337.db2.gz IMCLVAGPGWELKK-UZLBHIALSA-N 1 1 397.431 3.560 20 5 GHBDMO C[N@@H+](C[C@H]1CCCO[C@H]1c1ccccc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000747803934 890883347 /nfs/dbraw/zinc/88/33/47/890883347.db2.gz IMCLVAGPGWELKK-UZLBHIALSA-N 1 1 397.431 3.560 20 5 GHBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812847846 891037499 /nfs/dbraw/zinc/03/74/99/891037499.db2.gz FRBPHLJESWGBFG-IFXJQAMLSA-N 1 1 382.420 3.589 20 5 GHBDMO C[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872094117 891152071 /nfs/dbraw/zinc/15/20/71/891152071.db2.gz YZOJUEDVTKRYPM-ZDUSSCGKSA-N 1 1 376.457 3.533 20 5 GHBDMO Cc1ccc2c(CC(=O)O[C@H]3CC[N@H+](Cc4cccc([N+](=O)[O-])c4)C3)c[nH]c2c1 ZINC000813170398 891329671 /nfs/dbraw/zinc/32/96/71/891329671.db2.gz DSYLPXFLLNZZFT-IBGZPJMESA-N 1 1 393.443 3.745 20 5 GHBDMO Cc1ccc2c(CC(=O)O[C@H]3CC[N@@H+](Cc4cccc([N+](=O)[O-])c4)C3)c[nH]c2c1 ZINC000813170398 891329685 /nfs/dbraw/zinc/32/96/85/891329685.db2.gz DSYLPXFLLNZZFT-IBGZPJMESA-N 1 1 393.443 3.745 20 5 GHBDMO COc1ccccc1/C(C)=C\C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171161 891329705 /nfs/dbraw/zinc/32/97/05/891329705.db2.gz FCPVQDINTPSZSX-UIRWJGRMSA-N 1 1 396.443 3.824 20 5 GHBDMO COc1ccccc1/C(C)=C\C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171161 891329721 /nfs/dbraw/zinc/32/97/21/891329721.db2.gz FCPVQDINTPSZSX-UIRWJGRMSA-N 1 1 396.443 3.824 20 5 GHBDMO Cc1ccsc1[C@H]1C[C@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172716 891334077 /nfs/dbraw/zinc/33/40/77/891334077.db2.gz MDAVUYXMHNHBJV-OKZBNKHCSA-N 1 1 386.473 3.886 20 5 GHBDMO Cc1ccsc1[C@H]1C[C@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172716 891334089 /nfs/dbraw/zinc/33/40/89/891334089.db2.gz MDAVUYXMHNHBJV-OKZBNKHCSA-N 1 1 386.473 3.886 20 5 GHBDMO O=C(Cc1cc2ccccc2o1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173200 891335811 /nfs/dbraw/zinc/33/58/11/891335811.db2.gz UXRANUUSMMVAHU-SFHVURJKSA-N 1 1 380.400 3.701 20 5 GHBDMO O=C(Cc1cc2ccccc2o1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173200 891335827 /nfs/dbraw/zinc/33/58/27/891335827.db2.gz UXRANUUSMMVAHU-SFHVURJKSA-N 1 1 380.400 3.701 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000016587435 892327115 /nfs/dbraw/zinc/32/71/15/892327115.db2.gz SLZDICUJJJQGCK-GFCCVEGCSA-N 1 1 379.363 3.655 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000016587435 892327141 /nfs/dbraw/zinc/32/71/41/892327141.db2.gz SLZDICUJJJQGCK-GFCCVEGCSA-N 1 1 379.363 3.655 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000825797451 892644824 /nfs/dbraw/zinc/64/48/24/892644824.db2.gz WYALRAJPROVPIY-AWEZNQCLSA-N 1 1 375.856 3.807 20 5 GHBDMO Cc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn2cc[nH+]c12 ZINC000455642074 892848872 /nfs/dbraw/zinc/84/88/72/892848872.db2.gz LRNDPOSMOSEFNJ-UHFFFAOYSA-N 1 1 395.419 3.626 20 5 GHBDMO CC(=O)c1ccc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000428658193 893096101 /nfs/dbraw/zinc/09/61/01/893096101.db2.gz QVWPZLZVCGUATI-SFHVURJKSA-N 1 1 385.489 3.827 20 5 GHBDMO CC(=O)c1ccc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000428658193 893096123 /nfs/dbraw/zinc/09/61/23/893096123.db2.gz QVWPZLZVCGUATI-SFHVURJKSA-N 1 1 385.489 3.827 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000533828809 893154059 /nfs/dbraw/zinc/15/40/59/893154059.db2.gz MXQJORFGJMXAIH-KRWDZBQOSA-N 1 1 394.456 3.635 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000533828809 893154062 /nfs/dbraw/zinc/15/40/62/893154062.db2.gz MXQJORFGJMXAIH-KRWDZBQOSA-N 1 1 394.456 3.635 20 5 GHBDMO C[C@@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000498149256 893409535 /nfs/dbraw/zinc/40/95/35/893409535.db2.gz GTFXMQJKQUYSIU-BTYIYWSLSA-N 1 1 397.500 3.616 20 5 GHBDMO C[C@@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000498149256 893409543 /nfs/dbraw/zinc/40/95/43/893409543.db2.gz GTFXMQJKQUYSIU-BTYIYWSLSA-N 1 1 397.500 3.616 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194617893 893500266 /nfs/dbraw/zinc/50/02/66/893500266.db2.gz AJWHTLGWQIRRTP-SFHVURJKSA-N 1 1 397.475 3.588 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822772 893833634 /nfs/dbraw/zinc/83/36/34/893833634.db2.gz ILNRSGCEKRWBON-BLLLJJGKSA-N 1 1 398.385 3.537 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC(OC3CCCCC3)CC2)o1 ZINC000878018552 893951250 /nfs/dbraw/zinc/95/12/50/893951250.db2.gz QLFCPQYWHAGLHD-UHFFFAOYSA-N 1 1 386.452 3.959 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934836612 893964880 /nfs/dbraw/zinc/96/48/80/893964880.db2.gz CTICWEYULRPWQI-PVAVHDDUSA-N 1 1 386.452 3.844 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001135244626 894255128 /nfs/dbraw/zinc/25/51/28/894255128.db2.gz FFIUMGZDBXULDD-RRQGHBQHSA-N 1 1 377.510 3.557 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000039564077 894335302 /nfs/dbraw/zinc/33/53/02/894335302.db2.gz XCGIGGLIUBVAFN-OAHLLOKOSA-N 1 1 379.526 3.654 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000935316234 894356185 /nfs/dbraw/zinc/35/61/85/894356185.db2.gz RVAUXWNVXKVPLE-ZIAGYGMSSA-N 1 1 377.510 3.700 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000288786088 913876524 /nfs/dbraw/zinc/87/65/24/913876524.db2.gz JQWMBCRSWNRFHA-TXEJJXNPSA-N 1 1 389.374 3.595 20 5 GHBDMO CC(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000774882903 913882196 /nfs/dbraw/zinc/88/21/96/913882196.db2.gz FDVUTFZRMVDECH-LJQANCHMSA-N 1 1 391.399 3.834 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000537299514 894728101 /nfs/dbraw/zinc/72/81/01/894728101.db2.gz GMSKLAXVEJSDCG-MJGOQNOKSA-N 1 1 397.475 3.624 20 5 GHBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000564307750 894846331 /nfs/dbraw/zinc/84/63/31/894846331.db2.gz SWYDRSPAZDLRHU-NHCUHLMSSA-N 1 1 392.459 3.793 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537392386 894888279 /nfs/dbraw/zinc/88/82/79/894888279.db2.gz JCQGZNKALACERH-CABCVRRESA-N 1 1 381.839 3.757 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537392386 894888287 /nfs/dbraw/zinc/88/82/87/894888287.db2.gz JCQGZNKALACERH-CABCVRRESA-N 1 1 381.839 3.757 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000564441680 894986926 /nfs/dbraw/zinc/98/69/26/894986926.db2.gz BFBFOFYRNNKJER-GOSISDBHSA-N 1 1 386.452 3.590 20 5 GHBDMO COc1c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000476086136 895144651 /nfs/dbraw/zinc/14/46/51/895144651.db2.gz XJXJVKOJNNNZPZ-SJLPKXTDSA-N 1 1 397.475 3.729 20 5 GHBDMO Cc1cc(F)ccc1C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000428709096 895172652 /nfs/dbraw/zinc/17/26/52/895172652.db2.gz KZEQWGMVXKKKQI-UHFFFAOYSA-N 1 1 385.439 3.885 20 5 GHBDMO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000566002659 896041613 /nfs/dbraw/zinc/04/16/13/896041613.db2.gz WFDIVGULQITJFI-LJQANCHMSA-N 1 1 383.448 3.576 20 5 GHBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000566002659 896041621 /nfs/dbraw/zinc/04/16/21/896041621.db2.gz WFDIVGULQITJFI-LJQANCHMSA-N 1 1 383.448 3.576 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(C)c1[N+](=O)[O-] ZINC000129004427 896336992 /nfs/dbraw/zinc/33/69/92/896336992.db2.gz MTYGBLKURVGDTE-AWEZNQCLSA-N 1 1 375.498 3.581 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(C)c1[N+](=O)[O-] ZINC000129004427 896337005 /nfs/dbraw/zinc/33/70/05/896337005.db2.gz MTYGBLKURVGDTE-AWEZNQCLSA-N 1 1 375.498 3.581 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)cc1OC ZINC000566701995 896506373 /nfs/dbraw/zinc/50/63/73/896506373.db2.gz SARQTVDAFKYERV-JYJNAYRXSA-N 1 1 380.485 3.621 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](CO)C[C@@H]2C)cc1OC ZINC000566701995 896506381 /nfs/dbraw/zinc/50/63/81/896506381.db2.gz SARQTVDAFKYERV-JYJNAYRXSA-N 1 1 380.485 3.621 20 5 GHBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000567206378 896967590 /nfs/dbraw/zinc/96/75/90/896967590.db2.gz IZPJBKWUWONEEY-LBPRGKRZSA-N 1 1 390.406 3.533 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000883287816 897449069 /nfs/dbraw/zinc/44/90/69/897449069.db2.gz HLVNUQAVRKNGCD-AWEZNQCLSA-N 1 1 398.282 3.955 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000132196803 897711692 /nfs/dbraw/zinc/71/16/92/897711692.db2.gz JRBUGQNEECYDRU-QAPCUYQASA-N 1 1 385.439 3.859 20 5 GHBDMO CCC[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001185930476 914211244 /nfs/dbraw/zinc/21/12/44/914211244.db2.gz LCLOBOOYYLJZRI-SFHVURJKSA-N 1 1 379.464 3.733 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000043149700 898249379 /nfs/dbraw/zinc/24/93/79/898249379.db2.gz JXFCNMJVQMFGNU-KRWDZBQOSA-N 1 1 376.844 3.981 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2C2CC2)cc1 ZINC000569464814 898688847 /nfs/dbraw/zinc/68/88/47/898688847.db2.gz CPHNWCZSGLXYJK-UHFFFAOYSA-N 1 1 396.495 3.643 20 5 GHBDMO CCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000155471241 898818747 /nfs/dbraw/zinc/81/87/47/898818747.db2.gz CYRUCTSIEOAOPR-CYBMUJFWSA-N 1 1 392.374 3.545 20 5 GHBDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000155471241 898818756 /nfs/dbraw/zinc/81/87/56/898818756.db2.gz CYRUCTSIEOAOPR-CYBMUJFWSA-N 1 1 392.374 3.545 20 5 GHBDMO C[C@@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000118029517 899404300 /nfs/dbraw/zinc/40/43/00/899404300.db2.gz RJWMQUSEHJTVHS-CVEARBPZSA-N 1 1 398.463 3.871 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)co2)cc1 ZINC000119429862 899609282 /nfs/dbraw/zinc/60/92/82/899609282.db2.gz XYFWHESUKFDCHC-MSOLQXFVSA-N 1 1 383.404 3.931 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)co2)cc1 ZINC000119429862 899609287 /nfs/dbraw/zinc/60/92/87/899609287.db2.gz XYFWHESUKFDCHC-MSOLQXFVSA-N 1 1 383.404 3.931 20 5 GHBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000303190283 914391305 /nfs/dbraw/zinc/39/13/05/914391305.db2.gz FKGIKXROHCDCTK-DLBZAZTESA-N 1 1 391.512 3.899 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1C ZINC001137042596 900191280 /nfs/dbraw/zinc/19/12/80/900191280.db2.gz CVURJEDNAFNHJM-QGZVFWFLSA-N 1 1 381.476 3.948 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843850966 900247857 /nfs/dbraw/zinc/24/78/57/900247857.db2.gz VVVDRTYVWKQWOT-DOTOQJQBSA-N 1 1 385.439 3.683 20 5 GHBDMO Cc1noc([C@H]2CCC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n1 ZINC000091832212 901460278 /nfs/dbraw/zinc/46/02/78/901460278.db2.gz AHLHURXPWALMAD-AWEZNQCLSA-N 1 1 385.449 3.789 20 5 GHBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n1 ZINC000091832212 901460289 /nfs/dbraw/zinc/46/02/89/901460289.db2.gz AHLHURXPWALMAD-AWEZNQCLSA-N 1 1 385.449 3.789 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000047187685 901541675 /nfs/dbraw/zinc/54/16/75/901541675.db2.gz MFLJNTILCASWAF-HZPDHXFCSA-N 1 1 379.526 3.846 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093840364 901569334 /nfs/dbraw/zinc/56/93/34/901569334.db2.gz KNTMQPLGXKNPLT-SFHVURJKSA-N 1 1 386.448 3.651 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000047215257 901610398 /nfs/dbraw/zinc/61/03/98/901610398.db2.gz QSCQJLBDRGLQQQ-IYBDPMFKSA-N 1 1 379.526 3.561 20 5 GHBDMO C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123826108 901985040 /nfs/dbraw/zinc/98/50/40/901985040.db2.gz QYCJAEQHXNESDS-ACJLOTCBSA-N 1 1 391.830 3.810 20 5 GHBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123826108 901985044 /nfs/dbraw/zinc/98/50/44/901985044.db2.gz QYCJAEQHXNESDS-ACJLOTCBSA-N 1 1 391.830 3.810 20 5 GHBDMO COc1cc(C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778945559 902039232 /nfs/dbraw/zinc/03/92/32/902039232.db2.gz CCFPEFALHUQNDN-UHFFFAOYSA-N 1 1 381.473 3.586 20 5 GHBDMO Cc1c(C[NH2+]Cc2cn3ccc(Br)cc3n2)cccc1[N+](=O)[O-] ZINC000576911636 902353542 /nfs/dbraw/zinc/35/35/42/902353542.db2.gz QTCCJHYMXOOJSV-UHFFFAOYSA-N 1 1 375.226 3.603 20 5 GHBDMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000126821351 902375486 /nfs/dbraw/zinc/37/54/86/902375486.db2.gz JXPWJMLZZNMFOW-YOFSQIOKSA-N 1 1 398.459 3.670 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846111747 902688742 /nfs/dbraw/zinc/68/87/42/902688742.db2.gz VQCCAWARWWBTMC-UKRRQHHQSA-N 1 1 383.279 3.981 20 5 GHBDMO C[C@@H]1CCCN(C(=O)C2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC000601103991 903334946 /nfs/dbraw/zinc/33/49/46/903334946.db2.gz MPZGPBDTHOLZEC-OAHLLOKOSA-N 1 1 382.464 3.618 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000846946790 903338832 /nfs/dbraw/zinc/33/88/32/903338832.db2.gz KVWJBKVTSZZGRE-CQSZACIVSA-N 1 1 394.903 3.526 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CC1(Br)CC1)[C@H]1CC[C@H](O)CC1 ZINC000847000773 903380496 /nfs/dbraw/zinc/38/04/96/903380496.db2.gz AXJPQORXRCLMKL-SHTZXODSSA-N 1 1 383.286 3.628 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000578520474 903931885 /nfs/dbraw/zinc/93/18/85/903931885.db2.gz ZXDQBPUIKXGZLR-IYARVYRRSA-N 1 1 386.448 3.615 20 5 GHBDMO C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000216397840 904686599 /nfs/dbraw/zinc/68/65/99/904686599.db2.gz VTPHGJWLDFHDAN-CYBMUJFWSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000216397840 904686607 /nfs/dbraw/zinc/68/66/07/904686607.db2.gz VTPHGJWLDFHDAN-CYBMUJFWSA-N 1 1 385.247 3.773 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000779159895 904868611 /nfs/dbraw/zinc/86/86/11/904868611.db2.gz GLDGRJMBQNIRPM-GPXGYGPYSA-N 1 1 375.469 3.843 20 5 GHBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC[C@@H]21 ZINC001171813607 905071998 /nfs/dbraw/zinc/07/19/98/905071998.db2.gz BLCPMOXFKNKPNV-UZLBHIALSA-N 1 1 397.500 3.912 20 5 GHBDMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365819049 921186166 /nfs/dbraw/zinc/18/61/66/921186166.db2.gz ICCUXDUJOOCDEG-INIZCTEOSA-N 1 1 399.495 3.887 20 5 GHBDMO CCCCC[C@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C(=O)OC ZINC001173013709 906090868 /nfs/dbraw/zinc/09/08/68/906090868.db2.gz CVSQYOJVKQSDEJ-KRWDZBQOSA-N 1 1 399.438 3.553 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(c3ccc(Cl)cc3)COC2)c1F ZINC001173189020 906270136 /nfs/dbraw/zinc/27/01/36/906270136.db2.gz MXVXTHZWZRCOKR-LBPRGKRZSA-N 1 1 394.830 3.842 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c1F ZINC001173193003 906277689 /nfs/dbraw/zinc/27/76/89/906277689.db2.gz NRSLHKRZKTUIHM-GDBMZVCRSA-N 1 1 389.427 3.612 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001173220849 906298348 /nfs/dbraw/zinc/29/83/48/906298348.db2.gz DAQCICMIRNQVCO-HOTGVXAUSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001173226965 906309360 /nfs/dbraw/zinc/30/93/60/906309360.db2.gz NABPVFNKBIHXBM-MRXNPFEDSA-N 1 1 384.480 3.555 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001173227687 906310376 /nfs/dbraw/zinc/31/03/76/906310376.db2.gz UVVSSSXIUWFVAD-MGPUTAFESA-N 1 1 385.489 3.716 20 5 GHBDMO CC(C)COC[C@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(C)c21 ZINC001173228150 906311225 /nfs/dbraw/zinc/31/12/25/906311225.db2.gz WXOTUNIBOMZVOJ-SJLPKXTDSA-N 1 1 386.496 3.531 20 5 GHBDMO CC(C)COC[C@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(C)c21 ZINC001173228150 906311241 /nfs/dbraw/zinc/31/12/41/906311241.db2.gz WXOTUNIBOMZVOJ-SJLPKXTDSA-N 1 1 386.496 3.531 20 5 GHBDMO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C3)CC2=O)cc1 ZINC001173229628 906314867 /nfs/dbraw/zinc/31/48/67/906314867.db2.gz XZWKDFQISXIRGR-JPYJTQIMSA-N 1 1 393.487 3.963 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(c3ccccc3OC2=O)C1(C)C ZINC001173232266 906317919 /nfs/dbraw/zinc/31/79/19/906317919.db2.gz QJMKAUHIDIPNFQ-QRQCRPRQSA-N 1 1 380.444 3.867 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001173238355 906350703 /nfs/dbraw/zinc/35/07/03/906350703.db2.gz QKJVFLWKZONHHM-HNAYVOBHSA-N 1 1 385.439 3.559 20 5 GHBDMO COc1ccccc1COC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000179756011 906586149 /nfs/dbraw/zinc/58/61/49/906586149.db2.gz PFVMXLKWIZTVLX-UHFFFAOYSA-N 1 1 397.431 3.926 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001175399357 907533835 /nfs/dbraw/zinc/53/38/35/907533835.db2.gz KOPOCCBLLDXEOE-HNNXBMFYSA-N 1 1 393.447 3.598 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001175399357 907533849 /nfs/dbraw/zinc/53/38/49/907533849.db2.gz KOPOCCBLLDXEOE-HNNXBMFYSA-N 1 1 393.447 3.598 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192929604 908020473 /nfs/dbraw/zinc/02/04/73/908020473.db2.gz GUAFMPVUKONDJN-INIZCTEOSA-N 1 1 391.418 3.808 20 5 GHBDMO Cc1c(Cl)cccc1N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001176842048 908274760 /nfs/dbraw/zinc/27/47/60/908274760.db2.gz OLIFAZKGXLCLJU-UHFFFAOYSA-N 1 1 375.856 3.758 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001176849071 908293450 /nfs/dbraw/zinc/29/34/50/908293450.db2.gz JUNXQWHOZAMJDT-HXUWFJFHSA-N 1 1 375.469 3.613 20 5 GHBDMO CCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001177056910 908384487 /nfs/dbraw/zinc/38/44/87/908384487.db2.gz HRTBVGBFKFZQLZ-UHFFFAOYSA-N 1 1 381.448 3.955 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 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/nfs/dbraw/zinc/20/23/94/910202394.db2.gz XICJBJJROKNQRW-DJJJIMSYSA-N 1 1 393.846 3.631 20 5 GHBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795408824 910240722 /nfs/dbraw/zinc/24/07/22/910240722.db2.gz MKBDZJURHWZEOR-DGCLKSJQSA-N 1 1 396.285 3.781 20 5 GHBDMO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001180586141 910256556 /nfs/dbraw/zinc/25/65/56/910256556.db2.gz QSCBXJMPSOOMFU-UHFFFAOYSA-N 1 1 381.354 3.605 20 5 GHBDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001180586141 910256564 /nfs/dbraw/zinc/25/65/64/910256564.db2.gz QSCBXJMPSOOMFU-UHFFFAOYSA-N 1 1 381.354 3.605 20 5 GHBDMO Cc1cc(C2CC[NH+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH]n1 ZINC000271653350 911003723 /nfs/dbraw/zinc/00/37/23/911003723.db2.gz SNDHLJZYLPQESB-ZDUSSCGKSA-N 1 1 382.424 3.617 20 5 GHBDMO Cc1cc(C2CC[NH+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n[nH]1 ZINC000271653350 911003735 /nfs/dbraw/zinc/00/37/35/911003735.db2.gz 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GHBDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC000296766829 918704853 /nfs/dbraw/zinc/70/48/53/918704853.db2.gz OUQUOUQCJUDZBE-CYBMUJFWSA-N 1 1 375.404 3.670 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113960682 919383094 /nfs/dbraw/zinc/38/30/94/919383094.db2.gz VRHCNTPUQAINLU-ZDUSSCGKSA-N 1 1 385.367 3.570 20 5 GHBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114198000 919385554 /nfs/dbraw/zinc/38/55/54/919385554.db2.gz GNTKAVSSSJEHTQ-UHFFFAOYSA-N 1 1 383.496 3.883 20 5 GHBDMO NC(=O)c1ccc(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000115643848 919461323 /nfs/dbraw/zinc/46/13/23/919461323.db2.gz OXPJIMAONRLHLY-UHFFFAOYSA-N 1 1 393.365 3.877 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000115643848 919461330 /nfs/dbraw/zinc/46/13/30/919461330.db2.gz OXPJIMAONRLHLY-UHFFFAOYSA-N 1 1 393.365 3.877 20 5 GHBDMO 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C[NH+]1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000749261894 927020909 /nfs/dbraw/zinc/02/09/09/927020909.db2.gz MZYAIWYGYWIZAD-UHFFFAOYSA-N 1 1 389.843 3.644 20 5 GHBDMO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000412240500 927247670 /nfs/dbraw/zinc/24/76/70/927247670.db2.gz AIGHHEFWRHLULU-JJJJLYANSA-N 1 1 393.487 3.725 20 5 GHBDMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc([S@@](C)=O)cc1 ZINC000543908431 928558713 /nfs/dbraw/zinc/55/87/13/928558713.db2.gz HTPUMCNZNJXOHE-PFUSGODGSA-N 1 1 385.445 3.838 20 5 GHBDMO O=C1N(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)CCN1c1ccccc1[N+](=O)[O-] ZINC000752787783 929023158 /nfs/dbraw/zinc/02/31/58/929023158.db2.gz ANWCEZMLSZXYIO-IBGZPJMESA-N 1 1 392.459 3.946 20 5 GHBDMO O=C1N(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)CCN1c1ccccc1[N+](=O)[O-] ZINC000752787783 929023165 /nfs/dbraw/zinc/02/31/65/929023165.db2.gz ANWCEZMLSZXYIO-IBGZPJMESA-N 1 1 392.459 3.946 20 5 GHBDMO 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C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000757601942 929740314 /nfs/dbraw/zinc/74/03/14/929740314.db2.gz BNCLRDYHTBSBLK-FQEVSTJZSA-N 1 1 394.475 3.502 20 5 GHBDMO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000546054476 929810111 /nfs/dbraw/zinc/81/01/11/929810111.db2.gz GITYJYCWCQIWHG-INIZCTEOSA-N 1 1 386.427 3.862 20 5 GHBDMO C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000470120902 930388727 /nfs/dbraw/zinc/38/87/27/930388727.db2.gz NJNXYOUMWXFANL-HOCLYGCPSA-N 1 1 386.427 3.766 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](N(C)Cc2noc(C)n2)CC1 ZINC000470216343 930459054 /nfs/dbraw/zinc/45/90/54/930459054.db2.gz RKTGFVUUVPUAPC-UIRWJGRMSA-N 1 1 399.495 3.676 20 5 GHBDMO CO[C@@H](C)C[N@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000796641718 930491431 /nfs/dbraw/zinc/49/14/31/930491431.db2.gz YVSDPZFEPIRWPH-UGSOOPFHSA-N 1 1 391.855 3.895 20 5 GHBDMO CO[C@@H](C)C[N@@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000796641718 930491436 /nfs/dbraw/zinc/49/14/36/930491436.db2.gz YVSDPZFEPIRWPH-UGSOOPFHSA-N 1 1 391.855 3.895 20 5 GHBDMO C[N@H+]1CCCC12CCN(c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000782357378 931190007 /nfs/dbraw/zinc/19/00/07/931190007.db2.gz LHYHUFRVKPIRHQ-UHFFFAOYSA-N 1 1 388.346 3.586 20 5 GHBDMO O=C(CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1)NC1CCCC1 ZINC000783548937 931578356 /nfs/dbraw/zinc/57/83/56/931578356.db2.gz YFQMHUFMCJPBKS-UHFFFAOYSA-N 1 1 379.888 3.909 20 5 GHBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000783916810 931715505 /nfs/dbraw/zinc/71/55/05/931715505.db2.gz KUYZOIOVUIVTAW-CQSZACIVSA-N 1 1 377.510 3.844 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cc(F)ccc1[N+](=O)[O-] ZINC000784326596 931856738 /nfs/dbraw/zinc/85/67/38/931856738.db2.gz JEFQGELWZOLEQQ-PWIZWCRZSA-N 1 1 397.450 3.764 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cc(F)ccc1[N+](=O)[O-] ZINC000784326593 931856914 /nfs/dbraw/zinc/85/69/14/931856914.db2.gz JEFQGELWZOLEQQ-LSTHTHJFSA-N 1 1 397.450 3.764 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000784483675 931910664 /nfs/dbraw/zinc/91/06/64/931910664.db2.gz JZYGVVLVXDJBQI-CQSZACIVSA-N 1 1 393.365 3.702 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000784521525 931924148 /nfs/dbraw/zinc/92/41/48/931924148.db2.gz FFZLFZVMOLFSGC-QXAKKESOSA-N 1 1 389.496 3.763 20 5 GHBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000784638413 931966156 /nfs/dbraw/zinc/96/61/56/931966156.db2.gz NOBAKEPREFEBFA-TWGQIWQCSA-N 1 1 381.476 3.849 20 5 GHBDMO C[C@H]1C[NH+](Cc2cccc(Nc3nc4sccn4c3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000558408749 931984646 /nfs/dbraw/zinc/98/46/46/931984646.db2.gz IOTIRFCFXNJCIN-STQMWFEESA-N 1 1 387.465 3.657 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000797518378 932317887 /nfs/dbraw/zinc/31/78/87/932317887.db2.gz DPJOPVUJXZSZNL-HUUCEWRRSA-N 1 1 393.484 3.729 20 5 GHBDMO C[N@H+]1CCC[C@]2(CCN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C2)C1 ZINC000558951219 932334598 /nfs/dbraw/zinc/33/45/98/932334598.db2.gz WVYSOYBRDWGBNR-AWEZNQCLSA-N 1 1 394.344 3.566 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000926906455 932344127 /nfs/dbraw/zinc/34/41/27/932344127.db2.gz VXZWGRKFWKLCEW-OWCLPIDISA-N 1 1 398.385 3.507 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000927112468 932417079 /nfs/dbraw/zinc/41/70/79/932417079.db2.gz NYXRFGZLAPYUKC-LEWJYISDSA-N 1 1 392.459 3.711 20 5 GHBDMO CC[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000559337122 932609801 /nfs/dbraw/zinc/60/98/01/932609801.db2.gz NDBKBKJZRUUIKK-OAQYLSRUSA-N 1 1 381.476 3.996 20 5 GHBDMO Cc1c(CNC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000798466036 932658303 /nfs/dbraw/zinc/65/83/03/932658303.db2.gz HOKOFNSPQBYQIH-QFIPXVFZSA-N 1 1 396.491 3.615 20 5 GHBDMO C[C@@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000798525547 932690075 /nfs/dbraw/zinc/69/00/75/932690075.db2.gz XSYPFGWOBACKNG-VGSWGCGISA-N 1 1 381.476 3.727 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](c3ccccn3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000798965811 932843344 /nfs/dbraw/zinc/84/33/44/932843344.db2.gz ZWARMHIALSYLAP-LBPRGKRZSA-N 1 1 379.363 3.589 20 5 GHBDMO C[C@]1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014032 932852292 /nfs/dbraw/zinc/85/22/92/932852292.db2.gz BWUXOLJHIRKLLP-JOCHJYFZSA-N 1 1 392.459 3.718 20 5 GHBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000799846154 933139688 /nfs/dbraw/zinc/13/96/88/933139688.db2.gz VAEFBJRZPGXLJH-HNNXBMFYSA-N 1 1 385.489 3.960 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001116551204 933629307 /nfs/dbraw/zinc/62/93/07/933629307.db2.gz KMNPIXVJFJOOCG-WOIUINJBSA-N 1 1 382.460 3.736 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCC[N@H+](C4CCCC4)CC3)c2c1 ZINC001117736919 934000495 /nfs/dbraw/zinc/00/04/95/934000495.db2.gz CCURKCOSWBEEJD-UHFFFAOYSA-N 1 1 375.860 3.646 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000561683470 934363362 /nfs/dbraw/zinc/36/33/62/934363362.db2.gz HWWCDNGHGDDLMH-ROUUACIJSA-N 1 1 385.468 3.518 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001137817957 935806251 /nfs/dbraw/zinc/80/62/51/935806251.db2.gz PEKUCXYBFRHVRT-LJQANCHMSA-N 1 1 396.491 3.763 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000830401020 935940605 /nfs/dbraw/zinc/94/06/05/935940605.db2.gz FKVGJLQBSIKIOY-UTKZUKDTSA-N 1 1 397.450 3.861 20 5 GHBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544845723 1015092325 /nfs/dbraw/zinc/09/23/25/1015092325.db2.gz JFVWGWKCZWIDBK-KRWDZBQOSA-N 1 1 386.427 3.862 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545828503 1016467331 /nfs/dbraw/zinc/46/73/31/1016467331.db2.gz YAMKYKLJNKPHBU-DOTOQJQBSA-N 1 1 399.466 3.963 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cccc2nccn21 ZINC001154523756 1032162140 /nfs/dbraw/zinc/16/21/40/1032162140.db2.gz KGQXRUSYWCGKRR-UHFFFAOYSA-N 1 1 397.438 3.591 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001227124582 1032279380 /nfs/dbraw/zinc/27/93/80/1032279380.db2.gz NURXCDXWLMEQSM-OAHLLOKOSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001227124582 1032279393 /nfs/dbraw/zinc/27/93/93/1032279393.db2.gz NURXCDXWLMEQSM-OAHLLOKOSA-N 1 1 390.823 3.688 20 5 GHBDMO CCOC(=O)c1ccc(O[C@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001227301955 1032363201 /nfs/dbraw/zinc/36/32/01/1032363201.db2.gz SALYCPVJBPCOJE-WBVHZDCISA-N 1 1 399.447 3.771 20 5 GHBDMO COC(=O)c1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001227896483 1032677168 /nfs/dbraw/zinc/67/71/68/1032677168.db2.gz ILOXRNBIBYYIAR-CQSZACIVSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001227896483 1032677174 /nfs/dbraw/zinc/67/71/74/1032677174.db2.gz ILOXRNBIBYYIAR-CQSZACIVSA-N 1 1 390.823 3.688 20 5 GHBDMO C[N@@H+]1CCN(C(=O)c2ccnc3c2ccc2cccnc23)[C@H](c2ccccc2)C1 ZINC001155805220 1032714481 /nfs/dbraw/zinc/71/44/81/1032714481.db2.gz CJFUCEWHWYDGAR-NRFANRHFSA-N 1 1 382.467 3.912 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2ccnc3c2ccc2cccnc23)[C@H](c2ccccc2)C1 ZINC001155805220 1032714491 /nfs/dbraw/zinc/71/44/91/1032714491.db2.gz CJFUCEWHWYDGAR-NRFANRHFSA-N 1 1 382.467 3.912 20 5 GHBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000932556220 1018452750 /nfs/dbraw/zinc/45/27/50/1018452750.db2.gz MHSDLJLLNMDEGD-UHFFFAOYSA-N 1 1 381.461 3.888 20 5 GHBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000577345042 1020171808 /nfs/dbraw/zinc/17/18/08/1020171808.db2.gz YQCVBKDRGGRDIO-QGZVFWFLSA-N 1 1 397.479 3.661 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cnc2c1 ZINC001156315164 1032976526 /nfs/dbraw/zinc/97/65/26/1032976526.db2.gz KJDMAQAZRYANTN-QXAKKESOSA-N 1 1 389.459 3.861 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801521185 1021403523 /nfs/dbraw/zinc/40/35/23/1021403523.db2.gz XNGOVMOBRHONKA-ZDUSSCGKSA-N 1 1 392.818 3.633 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801521185 1021403532 /nfs/dbraw/zinc/40/35/32/1021403532.db2.gz XNGOVMOBRHONKA-ZDUSSCGKSA-N 1 1 392.818 3.633 20 5 GHBDMO Cn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000802657906 1021516000 /nfs/dbraw/zinc/51/60/00/1021516000.db2.gz CVVPNUKMAQLRPZ-UHFFFAOYSA-N 1 1 395.419 3.578 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156341936 1032995035 /nfs/dbraw/zinc/99/50/35/1032995035.db2.gz SSPVSMFRIBAXOD-KXBFYZLASA-N 1 1 379.464 3.818 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604518 1033001748 /nfs/dbraw/zinc/00/17/48/1033001748.db2.gz TVTLSTRYZNWGEJ-INIZCTEOSA-N 1 1 398.463 3.647 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604518 1033001762 /nfs/dbraw/zinc/00/17/62/1033001762.db2.gz TVTLSTRYZNWGEJ-INIZCTEOSA-N 1 1 398.463 3.647 20 5 GHBDMO O=[N+]([O-])c1cccc2nc(NCc3ccc(C[NH+]4CCOCC4)cc3)ccc21 ZINC001156388059 1033011837 /nfs/dbraw/zinc/01/18/37/1033011837.db2.gz AYJKXPZIWPTYMX-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000754093852 1022476837 /nfs/dbraw/zinc/47/68/37/1022476837.db2.gz FZSRZEUOWMWAIH-HJUDDPQBSA-N 1 1 379.460 3.561 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000754095579 1022477669 /nfs/dbraw/zinc/47/76/69/1022477669.db2.gz WPVSXYYVKYEZHQ-ICFOKQHNSA-N 1 1 379.460 3.563 20 5 GHBDMO COCC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000754460550 1022720973 /nfs/dbraw/zinc/72/09/73/1022720973.db2.gz LLJBECWCHGYXEJ-RISCZKNCSA-N 1 1 381.816 3.536 20 5 GHBDMO COC(=O)c1cc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc([N+](=O)[O-])c1 ZINC001228772791 1033089421 /nfs/dbraw/zinc/08/94/21/1033089421.db2.gz ZEMGBDNTPTUPBY-MAODMQOUSA-N 1 1 396.443 3.671 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000755067984 1023059227 /nfs/dbraw/zinc/05/92/27/1023059227.db2.gz VTGHYGMDZAIMLH-HOCLYGCPSA-N 1 1 393.484 3.729 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC001228803683 1033107087 /nfs/dbraw/zinc/10/70/87/1033107087.db2.gz IQEFMNCGQPNYEY-KSSFIOAISA-N 1 1 380.400 3.601 20 5 GHBDMO C[NH+](C)[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 ZINC000756994521 1023902248 /nfs/dbraw/zinc/90/22/48/1023902248.db2.gz XTXRCSZJHXYYGM-MRXNPFEDSA-N 1 1 382.247 3.821 20 5 GHBDMO O=[N+]([O-])c1cnccc1-c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001213036796 1025502769 /nfs/dbraw/zinc/50/27/69/1025502769.db2.gz JZBYIOKKLYNKHP-MRXNPFEDSA-N 1 1 392.350 3.578 20 5 GHBDMO COC(=O)c1ccnc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC001162139937 1025626747 /nfs/dbraw/zinc/62/67/47/1025626747.db2.gz HJXPCJWZBDFLJK-HNNXBMFYSA-N 1 1 398.463 3.620 20 5 GHBDMO CCc1cc(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162258507 1025693221 /nfs/dbraw/zinc/69/32/21/1025693221.db2.gz LGGAICFXJQSYEX-HOTGVXAUSA-N 1 1 383.496 3.568 20 5 GHBDMO C[N@@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2Br)[C@H]1c1ccccc1 ZINC000839593990 1026094616 /nfs/dbraw/zinc/09/46/16/1026094616.db2.gz OTBOCUZBDBJDFS-MAUKXSAKSA-N 1 1 390.281 3.892 20 5 GHBDMO C[N@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2Br)[C@H]1c1ccccc1 ZINC000839593990 1026094632 /nfs/dbraw/zinc/09/46/32/1026094632.db2.gz OTBOCUZBDBJDFS-MAUKXSAKSA-N 1 1 390.281 3.892 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001163657434 1026269021 /nfs/dbraw/zinc/26/90/21/1026269021.db2.gz YZLZCWRYDIMAFB-VQTJNVASSA-N 1 1 387.867 3.728 20 5 GHBDMO C[C@@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+]1CCCCCC1 ZINC000839863827 1026318249 /nfs/dbraw/zinc/31/82/49/1026318249.db2.gz LCEWLWJYALCRAM-XHDPSFHLSA-N 1 1 391.365 3.718 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2nc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)ccc12 ZINC001164485977 1026526294 /nfs/dbraw/zinc/52/62/94/1026526294.db2.gz KOHOHUFKFSPZQP-KBAYOESNSA-N 1 1 377.448 3.794 20 5 GHBDMO CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2ccc3ccc4cccnc4c3n2)CC1 ZINC001165107040 1026610046 /nfs/dbraw/zinc/61/00/46/1026610046.db2.gz DCEPUEDUQVWGAV-HXUWFJFHSA-N 1 1 376.504 3.863 20 5 GHBDMO CC(C)Oc1nc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)ccc1[N+](=O)[O-] ZINC001165154029 1026637319 /nfs/dbraw/zinc/63/73/19/1026637319.db2.gz JLSMGFXORJGEID-UHFFFAOYSA-N 1 1 396.491 3.804 20 5 GHBDMO COc1cnc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c([N+](=O)[O-])c1 ZINC001166572556 1027030436 /nfs/dbraw/zinc/03/04/36/1027030436.db2.gz XWIIYQQJGVPWSD-UHFFFAOYSA-N 1 1 399.838 3.527 20 5 GHBDMO CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001142068712 1028022253 /nfs/dbraw/zinc/02/22/53/1028022253.db2.gz IZJQRIKAEIZPOB-VQIMIIECSA-N 1 1 399.466 3.960 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1c[nH]c2ncccc12 ZINC001149373016 1030154244 /nfs/dbraw/zinc/15/42/44/1030154244.db2.gz KJTCQIAZMPANFZ-UHFFFAOYSA-N 1 1 397.438 3.820 20 5 GHBDMO COC(=O)c1c(CO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001223294183 1030513077 /nfs/dbraw/zinc/51/30/77/1030513077.db2.gz JNEUOYXSQOYLMY-JXFKEZNVSA-N 1 1 398.459 3.809 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC001461677296 1069672962 /nfs/dbraw/zinc/67/29/62/1069672962.db2.gz KSLDMSBSMQDWTH-SFHVURJKSA-N 1 1 397.475 3.731 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC001461677296 1069672971 /nfs/dbraw/zinc/67/29/71/1069672971.db2.gz KSLDMSBSMQDWTH-SFHVURJKSA-N 1 1 397.475 3.731 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001223871223 1030784161 /nfs/dbraw/zinc/78/41/61/1030784161.db2.gz XODNWGYGBOHYFS-ROUUACIJSA-N 1 1 396.491 3.819 20 5 GHBDMO O=[N+]([O-])C[C@H](OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC001224822789 1031136584 /nfs/dbraw/zinc/13/65/84/1031136584.db2.gz DEBQRANPZMVIHJ-GCJKJVERSA-N 1 1 398.459 3.662 20 5 GHBDMO CCOc1cc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001219318597 1031355523 /nfs/dbraw/zinc/35/55/23/1031355523.db2.gz VDKLHKSLCMGTHS-QGZVFWFLSA-N 1 1 398.463 3.637 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncc(Br)cc1[N+](=O)[O-] ZINC001225750041 1031579216 /nfs/dbraw/zinc/57/92/16/1031579216.db2.gz JTDFDOIZUTYPTN-LRDDRELGSA-N 1 1 392.253 3.652 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225887143 1031676802 /nfs/dbraw/zinc/67/68/02/1031676802.db2.gz VAOPJTKXNJECEN-UGSOOPFHSA-N 1 1 389.383 3.932 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001226303212 1031908068 /nfs/dbraw/zinc/90/80/68/1031908068.db2.gz OPHHXQKYNHVFKD-MRXNPFEDSA-N 1 1 396.365 3.893 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001226303212 1031908072 /nfs/dbraw/zinc/90/80/72/1031908072.db2.gz OPHHXQKYNHVFKD-MRXNPFEDSA-N 1 1 396.365 3.893 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(O[C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)c2c1 ZINC001226440933 1031961518 /nfs/dbraw/zinc/96/15/18/1031961518.db2.gz IJNYNIJTBREDCM-MRXNPFEDSA-N 1 1 384.823 3.845 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229361888 1033438584 /nfs/dbraw/zinc/43/85/84/1033438584.db2.gz PPAOHFZYPYWZAQ-LIRRHRJNSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229365160 1033439846 /nfs/dbraw/zinc/43/98/46/1033439846.db2.gz SNVXSLRPVBVWLH-KUHUBIRLSA-N 1 1 394.431 3.533 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001205641542 1033506948 /nfs/dbraw/zinc/50/69/48/1033506948.db2.gz LNKLPQMOVMUUON-MRXNPFEDSA-N 1 1 386.427 3.720 20 5 GHBDMO Cc1cc[nH+]c(N2CCC(Oc3cc(Br)cnc3[N+](=O)[O-])CC2)c1 ZINC001229561268 1033557479 /nfs/dbraw/zinc/55/74/79/1033557479.db2.gz VYVFQWYQFKFUTB-UHFFFAOYSA-N 1 1 393.241 3.504 20 5 GHBDMO Cc1ccc(N2CCC(Oc3cc(Br)cnc3[N+](=O)[O-])CC2)[nH+]c1 ZINC001229560182 1033557550 /nfs/dbraw/zinc/55/75/50/1033557550.db2.gz MMRWRFHPDZTBJA-UHFFFAOYSA-N 1 1 393.241 3.504 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCOCCN(C)C(=O)OC(C)(C)C ZINC001206697297 1033948289 /nfs/dbraw/zinc/94/82/89/1033948289.db2.gz UBAJGOULMUFKOQ-UHFFFAOYSA-N 1 1 395.500 3.527 20 5 GHBDMO N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168912 1033950214 /nfs/dbraw/zinc/95/02/14/1033950214.db2.gz JEGJHCBKHQHZCS-QHCPKHFHSA-N 1 1 387.527 3.607 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230230495 1033956363 /nfs/dbraw/zinc/95/63/63/1033956363.db2.gz STHUENTYXZBYML-QGZVFWFLSA-N 1 1 381.436 3.546 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001230251159 1033962180 /nfs/dbraw/zinc/96/21/80/1033962180.db2.gz LNMWVDGUEUGQDZ-INIZCTEOSA-N 1 1 389.839 3.860 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001230314615 1033992081 /nfs/dbraw/zinc/99/20/81/1033992081.db2.gz FYTQMEPGXJITEZ-GPMSIDNRSA-N 1 1 383.404 3.792 20 5 GHBDMO COc1c(O)ccc(C[NH2+][C@H](C)c2cc(Cl)cc3c2OCC3)c1[N+](=O)[O-] ZINC001207658633 1034515219 /nfs/dbraw/zinc/51/52/19/1034515219.db2.gz RJGCURHBPJAIQL-SNVBAGLBSA-N 1 1 378.812 3.748 20 5 GHBDMO CN(C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161063811 1035130287 /nfs/dbraw/zinc/13/02/87/1035130287.db2.gz NFRPNTTUIGSHGL-VABKMULXSA-N 1 1 375.516 3.591 20 5 GHBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)nc12 ZINC001232221748 1035169227 /nfs/dbraw/zinc/16/92/27/1035169227.db2.gz BNGCSBXVCRFEMP-YZUZCNPQSA-N 1 1 389.499 3.941 20 5 GHBDMO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)nc12 ZINC001232221748 1035169228 /nfs/dbraw/zinc/16/92/28/1035169228.db2.gz BNGCSBXVCRFEMP-YZUZCNPQSA-N 1 1 389.499 3.941 20 5 GHBDMO Cc1cc(O[C@H]2CCC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)ncn1 ZINC001232227030 1035172030 /nfs/dbraw/zinc/17/20/30/1035172030.db2.gz DYCIRQUQWQYUGV-FQEVSTJZSA-N 1 1 385.471 3.925 20 5 GHBDMO COc1cccc(O[C@H]2CC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)n1 ZINC001232227676 1035172801 /nfs/dbraw/zinc/17/28/01/1035172801.db2.gz LBPAFXZWCUNPBH-IBGZPJMESA-N 1 1 386.455 3.840 20 5 GHBDMO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)n1 ZINC001232229046 1035173306 /nfs/dbraw/zinc/17/33/06/1035173306.db2.gz YKTMPKQGCADYRC-FQEVSTJZSA-N 1 1 385.471 3.925 20 5 GHBDMO CCN(CC)c1ccc(-c2noc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001248207486 1035638219 /nfs/dbraw/zinc/63/82/19/1035638219.db2.gz FCNTUDOWVMVJNN-GOSISDBHSA-N 1 1 381.436 3.734 20 5 GHBDMO Cc1nc2cc(-c3noc([C@H]([NH3+])Cc4cccc([N+](=O)[O-])c4)n3)ccc2s1 ZINC001248209826 1035641352 /nfs/dbraw/zinc/64/13/52/1035641352.db2.gz YWPAWXUEDKITEM-CQSZACIVSA-N 1 1 381.417 3.805 20 5 GHBDMO Cc1nc2cc(-c3noc([C@@H]([NH3+])Cc4ccc([N+](=O)[O-])cc4)n3)ccc2s1 ZINC001248210579 1035642124 /nfs/dbraw/zinc/64/21/24/1035642124.db2.gz SYLCJPAKZYZGSQ-AWEZNQCLSA-N 1 1 381.417 3.805 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(c3ccccc3F)CC[NH2+]CC1)CC2 ZINC001246427666 1037386184 /nfs/dbraw/zinc/38/61/84/1037386184.db2.gz FKDWBJQOBYAZSQ-GOSISDBHSA-N 1 1 383.467 3.850 20 5 GHBDMO COc1ccc2c(c1)C1(CC[NH2+]CC1)N([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001246632194 1037519310 /nfs/dbraw/zinc/51/93/10/1037519310.db2.gz UVZRGJAUHNMDBV-KRWDZBQOSA-N 1 1 395.503 3.671 20 5 GHBDMO Cc1ccc(N2CCC[C@H](Oc3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)[nH+]c1 ZINC001233749238 1039587241 /nfs/dbraw/zinc/58/72/41/1039587241.db2.gz DGSKDWGSCANLLO-LBPRGKRZSA-N 1 1 382.342 3.760 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001253957152 1039921793 /nfs/dbraw/zinc/92/17/93/1039921793.db2.gz WBROAUPVVZYPHO-KRWDZBQOSA-N 1 1 398.507 3.596 20 5 GHBDMO CCOc1ccc([C@H](C)NCc2ccccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001253957152 1039921795 /nfs/dbraw/zinc/92/17/95/1039921795.db2.gz WBROAUPVVZYPHO-KRWDZBQOSA-N 1 1 398.507 3.596 20 5 GHBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001234405967 1040008622 /nfs/dbraw/zinc/00/86/22/1040008622.db2.gz DVQHTAGRURZFKT-HWWDLCQESA-N 1 1 376.453 3.659 20 5 GHBDMO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001254236921 1040088792 /nfs/dbraw/zinc/08/87/92/1040088792.db2.gz DBIHTTOHFKVGEB-VXGBXAGGSA-N 1 1 379.844 3.901 20 5 GHBDMO C[C@@]1(c2ccc(F)cc2)C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001254479510 1040266929 /nfs/dbraw/zinc/26/69/29/1040266929.db2.gz COJGJXODGAXAQH-QFIPXVFZSA-N 1 1 399.466 3.950 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(CC3CC3)c21 ZINC001254554512 1040323685 /nfs/dbraw/zinc/32/36/85/1040323685.db2.gz BCZWYSUPUOJECP-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(CC3CC3)c21 ZINC001254554512 1040323703 /nfs/dbraw/zinc/32/37/03/1040323703.db2.gz BCZWYSUPUOJECP-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001254559930 1040332239 /nfs/dbraw/zinc/33/22/39/1040332239.db2.gz CSFJDFMLNGPCIO-IDZYALCFSA-N 1 1 388.508 3.964 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001254559930 1040332254 /nfs/dbraw/zinc/33/22/54/1040332254.db2.gz CSFJDFMLNGPCIO-IDZYALCFSA-N 1 1 388.508 3.964 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254563845 1040338883 /nfs/dbraw/zinc/33/88/83/1040338883.db2.gz FCHQDQYNZXUTLD-JZXOWHBKSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001254564748 1040340521 /nfs/dbraw/zinc/34/05/21/1040340521.db2.gz MTYGLWQRLRBRAE-QIJUGHKUSA-N 1 1 379.504 3.980 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3CCC[C@@]3(COCc3ccncc3)C1)C2 ZINC001254595024 1040368192 /nfs/dbraw/zinc/36/81/92/1040368192.db2.gz HYGOSFLWRYBHFA-MZYLBHOOSA-N 1 1 393.487 3.776 20 5 GHBDMO c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CCCO[C@]2(CNCCOC2)C1 ZINC001235197734 1040687629 /nfs/dbraw/zinc/68/76/29/1040687629.db2.gz BWIGLGAUZWRPQJ-XMMPIXPASA-N 1 1 376.500 3.574 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001255330489 1040948009 /nfs/dbraw/zinc/94/80/09/1040948009.db2.gz FQAOIZMWBUIPSB-DLBZAZTESA-N 1 1 382.464 3.744 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255366839 1040964787 /nfs/dbraw/zinc/96/47/87/1040964787.db2.gz SXEFHQCRXKIPOH-INIZCTEOSA-N 1 1 382.395 3.697 20 5 GHBDMO Cc1c(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cccc1[N+](=O)[O-] ZINC001255426491 1041022378 /nfs/dbraw/zinc/02/23/78/1041022378.db2.gz GAYINLJTNIJYCY-SFHVURJKSA-N 1 1 378.432 3.867 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1Cc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255444823 1041043805 /nfs/dbraw/zinc/04/38/05/1041043805.db2.gz FMWJWAWFYREVNR-OAHLLOKOSA-N 1 1 382.395 3.697 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCCc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255444358 1041044831 /nfs/dbraw/zinc/04/48/31/1041044831.db2.gz AHVNLQKSSPGOQG-QGZVFWFLSA-N 1 1 394.431 3.589 20 5 GHBDMO Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001256066558 1041504341 /nfs/dbraw/zinc/50/43/41/1041504341.db2.gz USLQMLHTTMFBOR-UHFFFAOYSA-N 1 1 377.400 3.860 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C)Cc3nc4ccccc4o3)CC2)ccc1[N+](=O)[O-] ZINC001256100542 1041526842 /nfs/dbraw/zinc/52/68/42/1041526842.db2.gz KFVKUHZSGSXTSA-UHFFFAOYSA-N 1 1 396.447 3.845 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCO[C@H](c4ccccc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099306 1041527504 /nfs/dbraw/zinc/52/75/04/1041527504.db2.gz NGKLIFIRVVOGSW-QFIPXVFZSA-N 1 1 397.475 3.646 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001265828928 1047680612 /nfs/dbraw/zinc/68/06/12/1047680612.db2.gz VSSSFSLBPPOHHB-KRWDZBQOSA-N 1 1 385.439 3.779 20 5 GHBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001305029321 1047843090 /nfs/dbraw/zinc/84/30/90/1047843090.db2.gz CLNYFCIPGXOFPP-CVEARBPZSA-N 1 1 398.511 3.572 20 5 GHBDMO CSc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001287692715 1048889229 /nfs/dbraw/zinc/88/92/29/1048889229.db2.gz GFIFLIDMCRQTMR-DOTOQJQBSA-N 1 1 399.516 3.815 20 5 GHBDMO CSc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001287692717 1048890346 /nfs/dbraw/zinc/89/03/46/1048890346.db2.gz GFIFLIDMCRQTMR-RDJZCZTQSA-N 1 1 399.516 3.815 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001287694391 1048891722 /nfs/dbraw/zinc/89/17/22/1048891722.db2.gz SCZUFNGDMKYBQD-SAIGTISXSA-N 1 1 393.487 3.583 20 5 GHBDMO CC[N@H+](C)[C@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ccccc1 ZINC001306864999 1048934238 /nfs/dbraw/zinc/93/42/38/1048934238.db2.gz DFDNKXRXUKRFSZ-SFHVURJKSA-N 1 1 379.420 3.616 20 5 GHBDMO CC[N@@H+](C)[C@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ccccc1 ZINC001306864999 1048934239 /nfs/dbraw/zinc/93/42/39/1048934239.db2.gz DFDNKXRXUKRFSZ-SFHVURJKSA-N 1 1 379.420 3.616 20 5 GHBDMO C[N@@H+]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001307195985 1049131445 /nfs/dbraw/zinc/13/14/45/1049131445.db2.gz LADWHTIZXNPLPG-FQEVSTJZSA-N 1 1 381.476 3.992 20 5 GHBDMO C[N@H+]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001307195985 1049131451 /nfs/dbraw/zinc/13/14/51/1049131451.db2.gz LADWHTIZXNPLPG-FQEVSTJZSA-N 1 1 381.476 3.992 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1OC ZINC001307475033 1049311577 /nfs/dbraw/zinc/31/15/77/1049311577.db2.gz NATGLNJYWUGIFZ-MHUZGRKSSA-N 1 1 392.496 3.621 20 5 GHBDMO CC(C)[C@@H](CO)[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1 ZINC001307507690 1049349291 /nfs/dbraw/zinc/34/92/91/1049349291.db2.gz MZJWHSDNMMDGET-LJQANCHMSA-N 1 1 396.447 3.664 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001307524529 1049370913 /nfs/dbraw/zinc/37/09/13/1049370913.db2.gz KWLAUHHUEMOXQO-QGZVFWFLSA-N 1 1 385.464 3.713 20 5 GHBDMO CCOc1cc(N2CC[NH+](Cc3ccc(C)c(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC001307733919 1049546468 /nfs/dbraw/zinc/54/64/68/1049546468.db2.gz HNKJBFZPVVESIF-UHFFFAOYSA-N 1 1 385.464 3.633 20 5 GHBDMO O=C(CC[N@@H+]1CCc2c(Cl)cc(F)cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001307806271 1049605009 /nfs/dbraw/zinc/60/50/09/1049605009.db2.gz UJLKENCPTSCLEV-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO O=C(CC[N@H+]1CCc2c(Cl)cc(F)cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001307806271 1049605013 /nfs/dbraw/zinc/60/50/13/1049605013.db2.gz UJLKENCPTSCLEV-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)cc1[N+](=O)[O-] ZINC001307882867 1049663831 /nfs/dbraw/zinc/66/38/31/1049663831.db2.gz RYHSJFBNPOWWRW-OAHLLOKOSA-N 1 1 392.253 3.714 20 5 GHBDMO CN(C(=O)C[N@@H+]1CCCSC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001308040000 1049790883 /nfs/dbraw/zinc/79/08/83/1049790883.db2.gz IQRVGXDKUCMMNC-IBGZPJMESA-N 1 1 385.489 3.738 20 5 GHBDMO CN(C(=O)C[N@H+]1CCCSC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001308040000 1049790887 /nfs/dbraw/zinc/79/08/87/1049790887.db2.gz IQRVGXDKUCMMNC-IBGZPJMESA-N 1 1 385.489 3.738 20 5 GHBDMO Cc1noc(C[C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC001308114690 1049858681 /nfs/dbraw/zinc/85/86/81/1049858681.db2.gz QBYHVUVAOSKZFZ-GFCCVEGCSA-N 1 1 384.358 3.760 20 5 GHBDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC001308114690 1049858694 /nfs/dbraw/zinc/85/86/94/1049858694.db2.gz QBYHVUVAOSKZFZ-GFCCVEGCSA-N 1 1 384.358 3.760 20 5 GHBDMO Cn1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(-c2ccccc2)n1 ZINC001308368165 1049960018 /nfs/dbraw/zinc/96/00/18/1049960018.db2.gz QZHCONKCXBHTOY-UHFFFAOYSA-N 1 1 388.374 3.887 20 5 GHBDMO O=c1[nH]cc(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])c2ccccc12 ZINC001308526309 1049998803 /nfs/dbraw/zinc/99/88/03/1049998803.db2.gz QYZKUNKJUOMDEP-UHFFFAOYSA-N 1 1 388.221 3.901 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308962676 1050223333 /nfs/dbraw/zinc/22/33/33/1050223333.db2.gz CSWVXXXHFVKCLN-GDBMZVCRSA-N 1 1 377.485 3.804 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)o1 ZINC001329171361 1050739864 /nfs/dbraw/zinc/73/98/64/1050739864.db2.gz BVALJJKRMWDYEJ-RIDFSIMASA-N 1 1 394.880 3.994 20 5 GHBDMO CN1C[C@H]([N@@H+](C)Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCC1=O ZINC001329531528 1050830784 /nfs/dbraw/zinc/83/07/84/1050830784.db2.gz USJIGIUCKLVYLV-CYBMUJFWSA-N 1 1 377.828 3.561 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001313238277 1052993345 /nfs/dbraw/zinc/99/33/45/1052993345.db2.gz LCPJIJZMMTZZIB-DLBZAZTESA-N 1 1 382.464 3.744 20 5 GHBDMO Cc1cccc(NC[C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC001318713800 1054816469 /nfs/dbraw/zinc/81/64/69/1054816469.db2.gz KJVBSLYAPJAUQC-MRXNPFEDSA-N 1 1 388.855 3.597 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001345410470 1055027807 /nfs/dbraw/zinc/02/78/07/1055027807.db2.gz GZVIPSZFQRCIOK-FQEVSTJZSA-N 1 1 380.448 3.614 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)cc1 ZINC001320088598 1055648474 /nfs/dbraw/zinc/64/84/74/1055648474.db2.gz DHEAHTFNWRRJNA-UHFFFAOYSA-N 1 1 377.448 3.559 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC001320174713 1055691077 /nfs/dbraw/zinc/69/10/77/1055691077.db2.gz BAGNVLLYOPMKLG-SJORKVTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC001320174713 1055691081 /nfs/dbraw/zinc/69/10/81/1055691081.db2.gz BAGNVLLYOPMKLG-SJORKVTESA-N 1 1 377.803 3.563 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC001321269087 1056201158 /nfs/dbraw/zinc/20/11/58/1056201158.db2.gz WINSOYXGTRMGRI-LBPRGKRZSA-N 1 1 399.289 3.519 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC001354517180 1056733950 /nfs/dbraw/zinc/73/39/50/1056733950.db2.gz CFGDTXONBSHMEP-OAHLLOKOSA-N 1 1 383.473 3.942 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001323004560 1056906773 /nfs/dbraw/zinc/90/67/73/1056906773.db2.gz PZUYQPBEIXWHMA-DOTOQJQBSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001323004560 1056906780 /nfs/dbraw/zinc/90/67/80/1056906780.db2.gz PZUYQPBEIXWHMA-DOTOQJQBSA-N 1 1 377.803 3.563 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(Br)c1 ZINC001324150893 1057079857 /nfs/dbraw/zinc/07/98/57/1057079857.db2.gz PJRGFEYTJQICGT-KRWDZBQOSA-N 1 1 395.228 3.590 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(Br)c1 ZINC001324150893 1057079860 /nfs/dbraw/zinc/07/98/60/1057079860.db2.gz PJRGFEYTJQICGT-KRWDZBQOSA-N 1 1 395.228 3.590 20 5 GHBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485788 1057121936 /nfs/dbraw/zinc/12/19/36/1057121936.db2.gz XAYFRWVJLACLOL-FQEVSTJZSA-N 1 1 392.459 3.872 20 5 GHBDMO CC[N@H+](Cc1c[nH]c2ccccc12)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485788 1057121941 /nfs/dbraw/zinc/12/19/41/1057121941.db2.gz XAYFRWVJLACLOL-FQEVSTJZSA-N 1 1 392.459 3.872 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1 ZINC001324434135 1057133785 /nfs/dbraw/zinc/13/37/85/1057133785.db2.gz SJJQUHSAVSYVNS-FUHWJXTLSA-N 1 1 389.452 3.631 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1 ZINC001324434135 1057133790 /nfs/dbraw/zinc/13/37/90/1057133790.db2.gz SJJQUHSAVSYVNS-FUHWJXTLSA-N 1 1 389.452 3.631 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1 ZINC001324434136 1057133955 /nfs/dbraw/zinc/13/39/55/1057133955.db2.gz SJJQUHSAVSYVNS-SJLPKXTDSA-N 1 1 389.452 3.631 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1 ZINC001324434136 1057133958 /nfs/dbraw/zinc/13/39/58/1057133958.db2.gz SJJQUHSAVSYVNS-SJLPKXTDSA-N 1 1 389.452 3.631 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001324433787 1057134173 /nfs/dbraw/zinc/13/41/73/1057134173.db2.gz RPSUKUPQALQBGG-JKSUJKDBSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001324433787 1057134177 /nfs/dbraw/zinc/13/41/77/1057134177.db2.gz RPSUKUPQALQBGG-JKSUJKDBSA-N 1 1 377.803 3.563 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC001325315731 1057311071 /nfs/dbraw/zinc/31/10/71/1057311071.db2.gz FZPFHUPLUNBCRN-KRWDZBQOSA-N 1 1 399.466 3.880 20 5 GHBDMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001450773897 1060682208 /nfs/dbraw/zinc/68/22/08/1060682208.db2.gz YGYFLOFUDAZJMZ-IEBWSBKVSA-N 1 1 396.491 3.910 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001458341384 1063755361 /nfs/dbraw/zinc/75/53/61/1063755361.db2.gz NXDYZSVXQCWLGB-LJQANCHMSA-N 1 1 385.464 3.950 20 5 GHBDMO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001458468574 1063829276 /nfs/dbraw/zinc/82/92/76/1063829276.db2.gz JZZOZGCVUSBVHO-RBSFLKMASA-N 1 1 385.493 3.792 20 5 GHBDMO Cc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001466026588 1065959740 /nfs/dbraw/zinc/95/97/40/1065959740.db2.gz HCDPMFVJSITETQ-INIZCTEOSA-N 1 1 382.464 3.889 20 5 GHBDMO CC[C@@H](c1ccccc1)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC001473291607 1067180878 /nfs/dbraw/zinc/18/08/78/1067180878.db2.gz IGDRHHPPXNPKIB-IBGZPJMESA-N 1 1 399.447 3.550 20 5 GHBDMO CC[C@@H](c1ccccc1)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC001473291607 1067180885 /nfs/dbraw/zinc/18/08/85/1067180885.db2.gz IGDRHHPPXNPKIB-IBGZPJMESA-N 1 1 399.447 3.550 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001467938220 1067535407 /nfs/dbraw/zinc/53/54/07/1067535407.db2.gz PAVTYQLNXWWPQO-UHFFFAOYSA-N 1 1 387.867 3.524 20 5 GHBDMO C[C@@H](NC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001469751944 1068358263 /nfs/dbraw/zinc/35/82/63/1068358263.db2.gz HPBOFBGTVJGUJW-BRWVUGGUSA-N 1 1 388.512 3.651 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001460099389 1068781677 /nfs/dbraw/zinc/78/16/77/1068781677.db2.gz KYHATELZAMQRBO-QFIPXVFZSA-N 1 1 381.476 3.572 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460209002 1068861656 /nfs/dbraw/zinc/86/16/56/1068861656.db2.gz YDPHMQKHMFRYRT-KBPBESRZSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460209002 1068861666 /nfs/dbraw/zinc/86/16/66/1068861666.db2.gz YDPHMQKHMFRYRT-KBPBESRZSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)OC(C)(C)C ZINC001460209552 1068862740 /nfs/dbraw/zinc/86/27/40/1068862740.db2.gz SDCIAWVFCMUKBF-LLVKDONJSA-N 1 1 387.274 3.767 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)OC(C)(C)C ZINC001460209552 1068862753 /nfs/dbraw/zinc/86/27/53/1068862753.db2.gz SDCIAWVFCMUKBF-LLVKDONJSA-N 1 1 387.274 3.767 20 5 GHBDMO Cc1cccc(C[C@@]2(C)CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC001460551680 1068993929 /nfs/dbraw/zinc/99/39/29/1068993929.db2.gz BLALOODDWWNSQS-HSZRJFAPSA-N 1 1 393.487 3.890 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)O1 ZINC001460690235 1069088075 /nfs/dbraw/zinc/08/80/75/1069088075.db2.gz GHPGVBDFHZNWHK-VGSWGCGISA-N 1 1 399.466 3.599 20 5 GHBDMO Cc1cc(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC001471632855 1073164835 /nfs/dbraw/zinc/16/48/35/1073164835.db2.gz PSXGNNHKTMWYMC-SFHVURJKSA-N 1 1 396.491 3.612 20 5 GHBDMO COc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001472683358 1073616184 /nfs/dbraw/zinc/61/61/84/1073616184.db2.gz BKZNKJKUGSVKEF-UHFFFAOYSA-N 1 1 395.381 3.944 20 5 GHBDMO CCOC(=O)c1ccnc(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC001472686439 1073618618 /nfs/dbraw/zinc/61/86/18/1073618618.db2.gz PZPVDPZQOLPNTA-INIZCTEOSA-N 1 1 390.484 3.623 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001472700131 1073625273 /nfs/dbraw/zinc/62/52/73/1073625273.db2.gz KFUCPZUQXSXJHB-GFCCVEGCSA-N 1 1 393.285 3.684 20 5 GHBDMO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@H+]1Cc1ccccc1 ZINC001472716049 1073632632 /nfs/dbraw/zinc/63/26/32/1073632632.db2.gz DNEYBCLLHAFYGV-TZMCWYRMSA-N 1 1 397.401 3.812 20 5 GHBDMO CCC(=O)c1ccc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001472812236 1073676399 /nfs/dbraw/zinc/67/63/99/1073676399.db2.gz FAGIIFZTYZNABA-NQIIRXRSSA-N 1 1 379.460 3.898 20 5 GHBDMO CC(C)Oc1nc(N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001472826060 1073683361 /nfs/dbraw/zinc/68/33/61/1073683361.db2.gz HCYLXTWDHFUSRY-SFHVURJKSA-N 1 1 384.480 3.530 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001472851714 1073693790 /nfs/dbraw/zinc/69/37/90/1073693790.db2.gz KRPOBGVGFWBKBI-MAUKXSAKSA-N 1 1 383.448 3.561 20 5 GHBDMO Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472857299 1073697307 /nfs/dbraw/zinc/69/73/07/1073697307.db2.gz DIZRVTBKXDYXQW-FQEVSTJZSA-N 1 1 395.507 3.991 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001473154362 1073813940 /nfs/dbraw/zinc/81/39/40/1073813940.db2.gz VHIZNFQNDUPRNB-QGZVFWFLSA-N 1 1 396.491 3.518 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)o1 ZINC001473174259 1073830949 /nfs/dbraw/zinc/83/09/49/1073830949.db2.gz SDQDOKYZPPHCID-HNNXBMFYSA-N 1 1 382.395 3.849 20 5 GHBDMO CCOc1cc(C[N@H+](CC)[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC001473188141 1073842204 /nfs/dbraw/zinc/84/22/04/1073842204.db2.gz YBHYPSOGQSMUKO-IBGZPJMESA-N 1 1 383.448 3.621 20 5 GHBDMO CCOc1cc(C[N@@H+](CC)[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC001473188141 1073842216 /nfs/dbraw/zinc/84/22/16/1073842216.db2.gz YBHYPSOGQSMUKO-IBGZPJMESA-N 1 1 383.448 3.621 20 5 GHBDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473190863 1073843389 /nfs/dbraw/zinc/84/33/89/1073843389.db2.gz VBPLHVRUEGCINY-KUHUBIRLSA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473190863 1073843400 /nfs/dbraw/zinc/84/34/00/1073843400.db2.gz VBPLHVRUEGCINY-KUHUBIRLSA-N 1 1 383.423 3.706 20 5 GHBDMO CC(C)(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(F)cc1 ZINC001473253595 1073891702 /nfs/dbraw/zinc/89/17/02/1073891702.db2.gz RGKFRAYQBLUQRD-UHFFFAOYSA-N 1 1 389.427 3.852 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)cc1OC ZINC001473391343 1073946878 /nfs/dbraw/zinc/94/68/78/1073946878.db2.gz QMVJSWHFTMBGPI-AUSJPIAWSA-N 1 1 380.485 3.885 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@H](OC)C2)cc1OC ZINC001473391343 1073946882 /nfs/dbraw/zinc/94/68/82/1073946882.db2.gz QMVJSWHFTMBGPI-AUSJPIAWSA-N 1 1 380.485 3.885 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CCN1CCCCCC1 ZINC001473514663 1073996975 /nfs/dbraw/zinc/99/69/75/1073996975.db2.gz IIHFQVSWQXQWEE-UHFFFAOYSA-N 1 1 390.528 3.820 20 5 GHBDMO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CCN1CCCCCC1 ZINC001473514663 1073996976 /nfs/dbraw/zinc/99/69/76/1073996976.db2.gz IIHFQVSWQXQWEE-UHFFFAOYSA-N 1 1 390.528 3.820 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001479443902 1079207614 /nfs/dbraw/zinc/20/76/14/1079207614.db2.gz BGMHGLCTQGIZGM-SFHVURJKSA-N 1 1 396.491 3.534 20 5 GHBDMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2[nH]c(=O)oc2c1 ZINC001473685403 1074085620 /nfs/dbraw/zinc/08/56/20/1074085620.db2.gz VLCAKBPXXIRSEX-LLVKDONJSA-N 1 1 380.360 3.947 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)cc1F ZINC001473688917 1074087847 /nfs/dbraw/zinc/08/78/47/1074087847.db2.gz MMWHLYLWGGMASG-CYBMUJFWSA-N 1 1 378.375 3.880 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)cc1F ZINC001473688917 1074087854 /nfs/dbraw/zinc/08/78/54/1074087854.db2.gz MMWHLYLWGGMASG-CYBMUJFWSA-N 1 1 378.375 3.880 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(C)c(C)c1 ZINC001473801808 1074149181 /nfs/dbraw/zinc/14/91/81/1074149181.db2.gz IUOCQXLMSPJAMY-UHFFFAOYSA-N 1 1 399.491 3.997 20 5 GHBDMO COC(=O)/C=C\c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC001474494045 1074431182 /nfs/dbraw/zinc/43/11/82/1074431182.db2.gz JCMXBJIZISLYFQ-PLNGDYQASA-N 1 1 384.310 3.683 20 5 GHBDMO Cc1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c([N+](=O)[O-])c1 ZINC001164793106 721490701 /nfs/dbraw/zinc/49/07/01/721490701.db2.gz NTEUBITXLOFMTF-UHFFFAOYSA-N 1 1 381.480 3.574 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc12 ZINC001164996628 722203388 /nfs/dbraw/zinc/20/33/88/722203388.db2.gz UNTLAVRXSZSNED-NRFANRHFSA-N 1 1 395.438 3.855 20 5 GHBDMO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3OC)o2)cc1 ZINC000133888383 837396875 /nfs/dbraw/zinc/39/68/75/837396875.db2.gz NZBOXOCQWVWLJE-UHFFFAOYSA-N 1 1 396.399 3.940 20 5 GHBDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000535965854 837423575 /nfs/dbraw/zinc/42/35/75/837423575.db2.gz OYCMNNQGLYTBHY-SFHVURJKSA-N 1 1 380.448 3.796 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)C1 ZINC000180662432 837436685 /nfs/dbraw/zinc/43/66/85/837436685.db2.gz RAPRDWIFJOARIP-IYBDPMFKSA-N 1 1 396.491 3.585 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)c1ccccc1 ZINC000178061622 837708912 /nfs/dbraw/zinc/70/89/12/837708912.db2.gz QFOFQRUGTOSZCP-HNNXBMFYSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)c1ccccc1 ZINC000178061622 837708917 /nfs/dbraw/zinc/70/89/17/837708917.db2.gz QFOFQRUGTOSZCP-HNNXBMFYSA-N 1 1 387.867 3.890 20 5 GHBDMO CC[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+](C)Cc1ccccc1 ZINC000581975367 837759676 /nfs/dbraw/zinc/75/96/76/837759676.db2.gz AEJXAIDNETZXSF-NRFANRHFSA-N 1 1 394.475 3.645 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000557566072 834363385 /nfs/dbraw/zinc/36/33/85/834363385.db2.gz VLMHJAMMKAAKQK-OAHLLOKOSA-N 1 1 385.489 3.818 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000175282199 834504526 /nfs/dbraw/zinc/50/45/26/834504526.db2.gz YFRXKFACFPJULP-IBGZPJMESA-N 1 1 381.476 3.887 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000536072954 834646113 /nfs/dbraw/zinc/64/61/13/834646113.db2.gz NNMHULLOKFAWBW-HNNXBMFYSA-N 1 1 379.338 3.530 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000536072954 834646116 /nfs/dbraw/zinc/64/61/16/834646116.db2.gz NNMHULLOKFAWBW-HNNXBMFYSA-N 1 1 379.338 3.530 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000175286232 834696452 /nfs/dbraw/zinc/69/64/52/834696452.db2.gz QGAUDRRNFZCXOD-IBGZPJMESA-N 1 1 381.476 3.887 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000510068816 834828436 /nfs/dbraw/zinc/82/84/36/834828436.db2.gz DLEDBOOVGJWJTQ-AEFFLSMTSA-N 1 1 399.466 3.693 20 5 GHBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](COC)Cc1ccccc1 ZINC000472330445 834949068 /nfs/dbraw/zinc/94/90/68/834949068.db2.gz SFYOYENTGYOPEM-LJQANCHMSA-N 1 1 396.447 3.724 20 5 GHBDMO 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ZINC000052722306 835328492 /nfs/dbraw/zinc/32/84/92/835328492.db2.gz ALOSBTAKVIZCTJ-HXUWFJFHSA-N 1 1 378.432 3.628 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000254966696 835424617 /nfs/dbraw/zinc/42/46/17/835424617.db2.gz VFNNVBGOHSPPGR-IXRWAAFTSA-N 1 1 379.460 3.777 20 5 GHBDMO C[C@@H]1C[N@@H+](CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000432858683 844055656 /nfs/dbraw/zinc/05/56/56/844055656.db2.gz KJQTYITWKCPHFN-QGZVFWFLSA-N 1 1 397.475 3.739 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000500861374 844095777 /nfs/dbraw/zinc/09/57/77/844095777.db2.gz JLJXDQNVZRVCOB-VQIMIIECSA-N 1 1 392.459 3.501 20 5 GHBDMO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000179555047 835876648 /nfs/dbraw/zinc/87/66/48/835876648.db2.gz XHAYTEPUBKPEHN-PNHOKKKMSA-N 1 1 389.883 3.971 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000179556506 835877106 /nfs/dbraw/zinc/87/71/06/835877106.db2.gz GFOJIWGNLHOTRE-HXUWFJFHSA-N 1 1 397.475 3.835 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000236600029 836231540 /nfs/dbraw/zinc/23/15/40/836231540.db2.gz LVNOYOJZGBPFFN-UHFFFAOYSA-N 1 1 393.237 3.808 20 5 GHBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000472432632 836272490 /nfs/dbraw/zinc/27/24/90/836272490.db2.gz PYPURMSJFQAOGF-ZDUSSCGKSA-N 1 1 386.374 3.520 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473495786 844186071 /nfs/dbraw/zinc/18/60/71/844186071.db2.gz DPYVIMOGPGLBDT-HSZRJFAPSA-N 1 1 393.487 3.652 20 5 GHBDMO Cc1cccc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000510190541 836711111 /nfs/dbraw/zinc/71/11/11/836711111.db2.gz FTSIKUOHNBDRNP-PKOBYXMFSA-N 1 1 381.476 3.934 20 5 GHBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275389776 836965856 /nfs/dbraw/zinc/96/58/56/836965856.db2.gz ARQQRSXWPHNYDS-GFCCVEGCSA-N 1 1 387.430 3.832 20 5 GHBDMO C[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000177661099 836971119 /nfs/dbraw/zinc/97/11/19/836971119.db2.gz RUJPPLGLXXEUBW-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000655270928 837880388 /nfs/dbraw/zinc/88/03/88/837880388.db2.gz OVCKZIHCBPJWIG-UHFFFAOYSA-N 1 1 377.488 3.628 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377761530 837937620 /nfs/dbraw/zinc/93/76/20/837937620.db2.gz BRTGCCVKGXZSPF-COXVUDFISA-N 1 1 384.436 3.739 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377761530 837937625 /nfs/dbraw/zinc/93/76/25/837937625.db2.gz BRTGCCVKGXZSPF-COXVUDFISA-N 1 1 384.436 3.739 20 5 GHBDMO CCOC(=O)c1ccnc(NC[C@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000609960623 838106824 /nfs/dbraw/zinc/10/68/24/838106824.db2.gz DXHLGUKPCLJKAG-OAHLLOKOSA-N 1 1 392.843 3.535 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134030570 838156833 /nfs/dbraw/zinc/15/68/33/838156833.db2.gz FNPNPUOFYWHGCE-KGLIPLIRSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134030570 838156838 /nfs/dbraw/zinc/15/68/38/838156838.db2.gz FNPNPUOFYWHGCE-KGLIPLIRSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@H](CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000471455188 838216986 /nfs/dbraw/zinc/21/69/86/838216986.db2.gz MVFLIXLYEHFBAQ-MRXNPFEDSA-N 1 1 387.505 3.714 20 5 GHBDMO CC[C@@H](C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000118849783 838261784 /nfs/dbraw/zinc/26/17/84/838261784.db2.gz UAXFCPIWZDCDJG-OAHLLOKOSA-N 1 1 380.448 3.675 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000610317447 838391591 /nfs/dbraw/zinc/39/15/91/838391591.db2.gz KEIPIWGGZTULKF-MRXNPFEDSA-N 1 1 388.855 3.986 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000548021142 838535920 /nfs/dbraw/zinc/53/59/20/838535920.db2.gz SWWADZHKARYBFG-HNNXBMFYSA-N 1 1 387.509 3.554 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000548021142 838535924 /nfs/dbraw/zinc/53/59/24/838535924.db2.gz SWWADZHKARYBFG-HNNXBMFYSA-N 1 1 387.509 3.554 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc(Cl)c1OC ZINC000376652269 838603499 /nfs/dbraw/zinc/60/34/99/838603499.db2.gz PQVNZAYRBOQPSF-UHFFFAOYSA-N 1 1 394.859 3.689 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000471520438 838677298 /nfs/dbraw/zinc/67/72/98/838677298.db2.gz FDFXUAIVTGQVGF-DOTOQJQBSA-N 1 1 375.856 3.543 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000610363925 838694504 /nfs/dbraw/zinc/69/45/04/838694504.db2.gz LHLXSGBXSKHKNH-GOSISDBHSA-N 1 1 396.491 3.621 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CC1 ZINC000275789617 838821760 /nfs/dbraw/zinc/82/17/60/838821760.db2.gz IWKYFTUWWLGEIZ-UHFFFAOYSA-N 1 1 385.414 3.586 20 5 GHBDMO COc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415125844 839235368 /nfs/dbraw/zinc/23/53/68/839235368.db2.gz LLJQAVDODLNDDB-LPHOPBHVSA-N 1 1 399.491 3.599 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412124552 839731692 /nfs/dbraw/zinc/73/16/92/839731692.db2.gz QEYBLUVGELSXIK-IDPBPBMLSA-N 1 1 385.508 3.811 20 5 GHBDMO CC(C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1F ZINC000473446077 844465806 /nfs/dbraw/zinc/46/58/06/844465806.db2.gz YQVKQEWOMOODHC-UHFFFAOYSA-N 1 1 391.830 3.801 20 5 GHBDMO C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1=CC[N@@H+](C)CC1 ZINC000275911985 839781201 /nfs/dbraw/zinc/78/12/01/839781201.db2.gz DTVXGNCQIHLFGH-LBPRGKRZSA-N 1 1 397.425 3.752 20 5 GHBDMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000236842288 840145612 /nfs/dbraw/zinc/14/56/12/840145612.db2.gz XHVRHTOPVJMKTL-FQEVSTJZSA-N 1 1 399.491 3.756 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CNCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000236842288 840145618 /nfs/dbraw/zinc/14/56/18/840145618.db2.gz XHVRHTOPVJMKTL-FQEVSTJZSA-N 1 1 399.491 3.756 20 5 GHBDMO Cc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000015102569 840224991 /nfs/dbraw/zinc/22/49/91/840224991.db2.gz SAJCSJFUXUSUMC-CQSZACIVSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1ccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000015102569 840225004 /nfs/dbraw/zinc/22/50/04/840225004.db2.gz SAJCSJFUXUSUMC-CQSZACIVSA-N 1 1 391.855 3.894 20 5 GHBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000431990198 840497817 /nfs/dbraw/zinc/49/78/17/840497817.db2.gz DYQQOBKLPHIXDG-INIZCTEOSA-N 1 1 384.480 3.650 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](O)c3c(F)cccc3F)cs2)c1 ZINC000123995496 840511424 /nfs/dbraw/zinc/51/14/24/840511424.db2.gz ASGNRCYKZDGJBY-INIZCTEOSA-N 1 1 391.399 3.820 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467220983 840540303 /nfs/dbraw/zinc/54/03/03/840540303.db2.gz YOPZWVZTPQRSGH-CQSZACIVSA-N 1 1 390.871 3.568 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000120265719 840559970 /nfs/dbraw/zinc/55/99/70/840559970.db2.gz MBVFUUPRCQGWJF-ZDUSSCGKSA-N 1 1 389.839 3.894 20 5 GHBDMO COc1c(C)cc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000110289218 840585721 /nfs/dbraw/zinc/58/57/21/840585721.db2.gz MUOLIKUABFESOG-UHFFFAOYSA-N 1 1 385.464 3.989 20 5 GHBDMO C[C@H]([NH2+]Cc1cn2ccc(Br)cc2n1)c1cccc([N+](=O)[O-])c1 ZINC000581196043 840834414 /nfs/dbraw/zinc/83/44/14/840834414.db2.gz BXHXWQWHCKEDSM-NSHDSACASA-N 1 1 375.226 3.856 20 5 GHBDMO COc1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000573611142 844606722 /nfs/dbraw/zinc/60/67/22/844606722.db2.gz WNPQTEALCPAPBS-UXHICEINSA-N 1 1 381.476 3.557 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC001167746008 841337858 /nfs/dbraw/zinc/33/78/58/841337858.db2.gz OKNPMWNLYROWCZ-LJQANCHMSA-N 1 1 398.463 3.650 20 5 GHBDMO CCOc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1[N+](=O)[O-] ZINC000119362956 841480911 /nfs/dbraw/zinc/48/09/11/841480911.db2.gz GZXOXRABSNKIQH-CQSZACIVSA-N 1 1 394.431 3.979 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000278842661 841545575 /nfs/dbraw/zinc/54/55/75/841545575.db2.gz WGFOUHPAKQDLEN-UHFFFAOYSA-N 1 1 385.298 3.820 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000489811004 861251233 /nfs/dbraw/zinc/25/12/33/861251233.db2.gz SPHZSADGDPJVEH-GFCCVEGCSA-N 1 1 386.349 3.866 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000489811004 861251246 /nfs/dbraw/zinc/25/12/46/861251246.db2.gz SPHZSADGDPJVEH-GFCCVEGCSA-N 1 1 386.349 3.866 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000477269828 841931760 /nfs/dbraw/zinc/93/17/60/841931760.db2.gz ALIHGBKZPREUHV-QGZVFWFLSA-N 1 1 387.867 3.951 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000549561869 842057363 /nfs/dbraw/zinc/05/73/63/842057363.db2.gz XITKFIPUJKIOAK-UHFFFAOYSA-N 1 1 377.404 3.586 20 5 GHBDMO CC[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000512023182 842173871 /nfs/dbraw/zinc/17/38/71/842173871.db2.gz IJZPTOLQNKBLNV-GOSISDBHSA-N 1 1 392.459 3.643 20 5 GHBDMO CCS[C@H]1CCCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112088519 842182868 /nfs/dbraw/zinc/18/28/68/842182868.db2.gz MJEPFIIKVXHTEM-HNNXBMFYSA-N 1 1 381.498 3.540 20 5 GHBDMO Cc1[nH+]c(N)ccc1CNc1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001167785966 842481094 /nfs/dbraw/zinc/48/10/94/842481094.db2.gz JEDISMQYQXAKLA-UHFFFAOYSA-N 1 1 388.225 3.803 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](Cc4cnn(C)c4)C3)o2)c([N+](=O)[O-])c1 ZINC000093870284 842811491 /nfs/dbraw/zinc/81/14/91/842811491.db2.gz FBYAJSAZPFCZTH-HNNXBMFYSA-N 1 1 396.447 3.662 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ncccc12 ZINC000302783078 861362683 /nfs/dbraw/zinc/36/26/83/861362683.db2.gz KTEUKEYRMDCYDX-SFHVURJKSA-N 1 1 392.459 3.846 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000933818054 843325060 /nfs/dbraw/zinc/32/50/60/843325060.db2.gz VCJBGFCIGKFNFP-BWAGFHJFSA-N 1 1 393.487 3.679 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610643975 843348595 /nfs/dbraw/zinc/34/85/95/843348595.db2.gz PDJJOJXXIIPKSG-PXNSSMCTSA-N 1 1 396.491 3.880 20 5 GHBDMO COc1c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000474904677 861412972 /nfs/dbraw/zinc/41/29/72/861412972.db2.gz HDLVGVMBXZIMLD-INIZCTEOSA-N 1 1 397.475 3.765 20 5 GHBDMO CCc1cc(N2CC[NH+](Cc3ccco3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000603937473 861416499 /nfs/dbraw/zinc/41/64/99/861416499.db2.gz YMICNZJPISXEGT-UHFFFAOYSA-N 1 1 393.447 3.529 20 5 GHBDMO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000568779381 843618460 /nfs/dbraw/zinc/61/84/60/843618460.db2.gz CNOLAUVUIRKRAZ-HOJAQTOUSA-N 1 1 386.496 3.991 20 5 GHBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000610706971 843625176 /nfs/dbraw/zinc/62/51/76/843625176.db2.gz KKOMJFDQRWNDCY-QFIPXVFZSA-N 1 1 397.450 3.862 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429894290 843847851 /nfs/dbraw/zinc/84/78/51/843847851.db2.gz CGISYONWADVJPH-SJLPKXTDSA-N 1 1 381.476 3.824 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](c3ccc(OC)c(F)c3)C2)c1 ZINC000599675818 861473932 /nfs/dbraw/zinc/47/39/32/861473932.db2.gz PNZCYHQIQYWCFX-OAHLLOKOSA-N 1 1 388.395 3.519 20 5 GHBDMO C[NH+](C)Cc1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)ccc1Cl ZINC000500781254 844005139 /nfs/dbraw/zinc/00/51/39/844005139.db2.gz QXHIHNWWBMUCMS-UHFFFAOYSA-N 1 1 386.839 3.903 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000433072264 845169079 /nfs/dbraw/zinc/16/90/79/845169079.db2.gz ATKNZADYIBZYNF-GOSISDBHSA-N 1 1 395.459 3.945 20 5 GHBDMO CSc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000513293304 845193288 /nfs/dbraw/zinc/19/32/88/845193288.db2.gz DYUVZXRUGWEBGJ-KRWDZBQOSA-N 1 1 385.489 3.711 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046432964 845294393 /nfs/dbraw/zinc/29/43/93/845294393.db2.gz IRBYWBYZBLFXPL-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046432964 845294403 /nfs/dbraw/zinc/29/44/03/845294403.db2.gz IRBYWBYZBLFXPL-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1c1ccccc1 ZINC001167499369 845306583 /nfs/dbraw/zinc/30/65/83/845306583.db2.gz HMAXEJDIRWEGCQ-OXJNMPFZSA-N 1 1 379.460 3.610 20 5 GHBDMO CC(C)(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429873782 845614855 /nfs/dbraw/zinc/61/48/55/845614855.db2.gz ZSRQPOAJQZYGSI-SFHVURJKSA-N 1 1 385.464 3.809 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000843815768 861589217 /nfs/dbraw/zinc/58/92/17/861589217.db2.gz XRMJAJLGAUCVGK-KDOFPFPSSA-N 1 1 385.439 3.683 20 5 GHBDMO CCN1CCC[C@@H](C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016679 845731903 /nfs/dbraw/zinc/73/19/03/845731903.db2.gz IZBYQJOVFZIZFS-WZRJSFQZSA-N 1 1 397.523 3.747 20 5 GHBDMO CC[N@@H+]1CCC[C@@H](CN(C)C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016679 845731913 /nfs/dbraw/zinc/73/19/13/845731913.db2.gz IZBYQJOVFZIZFS-WZRJSFQZSA-N 1 1 397.523 3.747 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CN(C)C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016679 845731922 /nfs/dbraw/zinc/73/19/22/845731922.db2.gz IZBYQJOVFZIZFS-WZRJSFQZSA-N 1 1 397.523 3.747 20 5 GHBDMO C[N@@H+](CCCNc1ncc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000303242186 861609589 /nfs/dbraw/zinc/60/95/89/861609589.db2.gz SKGAYCKRMXUSRR-UHFFFAOYSA-N 1 1 379.258 3.686 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H]([NH+]4CCCC4)CC3)o2)c1 ZINC000157089540 845846863 /nfs/dbraw/zinc/84/68/63/845846863.db2.gz LRTFOHWXCOXGPA-SFHVURJKSA-N 1 1 384.480 3.743 20 5 GHBDMO C[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001167511871 845936211 /nfs/dbraw/zinc/93/62/11/845936211.db2.gz BSODGOBBOHBKSS-CYBMUJFWSA-N 1 1 379.254 3.740 20 5 GHBDMO C[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001167511871 845936215 /nfs/dbraw/zinc/93/62/15/845936215.db2.gz BSODGOBBOHBKSS-CYBMUJFWSA-N 1 1 379.254 3.740 20 5 GHBDMO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCOCC2)cc1 ZINC000071968884 846069600 /nfs/dbraw/zinc/06/96/00/846069600.db2.gz UPZSZUWQGOEPCO-NRFANRHFSA-N 1 1 392.459 3.937 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1c(Cl)cccc1Cl ZINC000511071999 846274800 /nfs/dbraw/zinc/27/48/00/846274800.db2.gz CLBVEYZAAWBVOW-AWEZNQCLSA-N 1 1 399.274 3.816 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072072794 846359509 /nfs/dbraw/zinc/35/95/09/846359509.db2.gz XTXSLSSNQFFPCO-UHFFFAOYSA-N 1 1 381.476 3.684 20 5 GHBDMO COc1cc(C[N@@H+](C)C2CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000582137824 846461835 /nfs/dbraw/zinc/46/18/35/846461835.db2.gz YGBWZQPDJAHLJG-UHFFFAOYSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000599790170 861680027 /nfs/dbraw/zinc/68/00/27/861680027.db2.gz ACVHQMARJKDLKO-KRWDZBQOSA-N 1 1 398.463 3.616 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000599790170 861680036 /nfs/dbraw/zinc/68/00/36/861680036.db2.gz ACVHQMARJKDLKO-KRWDZBQOSA-N 1 1 398.463 3.616 20 5 GHBDMO COc1cc(C[N@H+]2CCSCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000502833529 846527484 /nfs/dbraw/zinc/52/74/84/846527484.db2.gz MMIJWUGTJKBWQK-NSHDSACASA-N 1 1 376.425 3.575 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000511090197 846596421 /nfs/dbraw/zinc/59/64/21/846596421.db2.gz IEIHJBSQCRXYRI-MRXNPFEDSA-N 1 1 398.381 3.528 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000501095208 846636045 /nfs/dbraw/zinc/63/60/45/846636045.db2.gz AVQPHPRTINTLCI-SMDDNHRTSA-N 1 1 399.289 3.694 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501149383 846697076 /nfs/dbraw/zinc/69/70/76/846697076.db2.gz DPIZABRBMYMKLP-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(COc2ccccc2)CC1 ZINC000303466802 861733757 /nfs/dbraw/zinc/73/37/57/861733757.db2.gz GVJSJEXAWTYGJD-INIZCTEOSA-N 1 1 383.448 3.713 20 5 GHBDMO COC(=O)c1cnc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000478285843 847044947 /nfs/dbraw/zinc/04/49/47/847044947.db2.gz RGWVDSCUCYCWGG-HNNXBMFYSA-N 1 1 398.463 3.620 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599831675 861760498 /nfs/dbraw/zinc/76/04/98/861760498.db2.gz VSHURRWRMJHTJX-OAHLLOKOSA-N 1 1 385.468 3.777 20 5 GHBDMO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139831 847404445 /nfs/dbraw/zinc/40/44/45/847404445.db2.gz ILLNBFWREUCZQO-GOSISDBHSA-N 1 1 383.492 3.895 20 5 GHBDMO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139831 847404448 /nfs/dbraw/zinc/40/44/48/847404448.db2.gz ILLNBFWREUCZQO-GOSISDBHSA-N 1 1 383.492 3.895 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000303588922 861802662 /nfs/dbraw/zinc/80/26/62/861802662.db2.gz LYPYHDJXQBFMAZ-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000421035996 847636018 /nfs/dbraw/zinc/63/60/18/847636018.db2.gz ZSYJSGQGTLMUFV-CHWSQXEVSA-N 1 1 375.425 3.536 20 5 GHBDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000421035996 847636027 /nfs/dbraw/zinc/63/60/27/847636027.db2.gz ZSYJSGQGTLMUFV-CHWSQXEVSA-N 1 1 375.425 3.536 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000503462810 847718486 /nfs/dbraw/zinc/71/84/86/847718486.db2.gz OLYBDKDHTSVNQX-LJQANCHMSA-N 1 1 397.475 3.736 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289338535 847838714 /nfs/dbraw/zinc/83/87/14/847838714.db2.gz LOMPUCIHCPKZTG-YOEHRIQHSA-N 1 1 379.420 3.980 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000503630761 847846278 /nfs/dbraw/zinc/84/62/78/847846278.db2.gz SETURLSDKHIYLV-YOEHRIQHSA-N 1 1 377.510 3.653 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000092783150 847860191 /nfs/dbraw/zinc/86/01/91/847860191.db2.gz LJPLWFYXBSSQSS-GOSISDBHSA-N 1 1 392.459 3.993 20 5 GHBDMO C[C@H](c1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c1)[NH+]1CCOCC1 ZINC000611706484 848032118 /nfs/dbraw/zinc/03/21/18/848032118.db2.gz MOEVPKZUPZNSHC-CQSZACIVSA-N 1 1 379.420 3.675 20 5 GHBDMO C[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000611704862 848039462 /nfs/dbraw/zinc/03/94/62/848039462.db2.gz CWPSQQZSTPWKFV-MRXNPFEDSA-N 1 1 377.448 3.639 20 5 GHBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000583237795 849405408 /nfs/dbraw/zinc/40/54/08/849405408.db2.gz OUVMHKJNJKHEGZ-SFHVURJKSA-N 1 1 391.830 3.954 20 5 GHBDMO C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504279658 849995158 /nfs/dbraw/zinc/99/51/58/849995158.db2.gz MQGPNRWRGPQZRE-FUHWJXTLSA-N 1 1 379.460 3.785 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000504566409 850151326 /nfs/dbraw/zinc/15/13/26/850151326.db2.gz RKUBGGJKUSFQLZ-QGZVFWFLSA-N 1 1 375.375 3.691 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1[N+](=O)[O-] ZINC000425347745 850374249 /nfs/dbraw/zinc/37/42/49/850374249.db2.gz ICNDVKYHIUEDNT-LJQANCHMSA-N 1 1 392.463 3.791 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)cc1[N+](=O)[O-] ZINC000425347745 850374261 /nfs/dbraw/zinc/37/42/61/850374261.db2.gz ICNDVKYHIUEDNT-LJQANCHMSA-N 1 1 392.463 3.791 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000487058670 850397684 /nfs/dbraw/zinc/39/76/84/850397684.db2.gz FPRCDUQULWWMEC-INIZCTEOSA-N 1 1 387.867 3.543 20 5 GHBDMO [NH3+]C[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435386938 850454279 /nfs/dbraw/zinc/45/42/79/850454279.db2.gz ZCQRTPRTFRIYTF-LBPRGKRZSA-N 1 1 394.269 3.788 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000439900884 850571366 /nfs/dbraw/zinc/57/13/66/850571366.db2.gz MPHLZLKLOFOLKU-GOSISDBHSA-N 1 1 398.463 3.732 20 5 GHBDMO Cn1cc[nH+]c1CC1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425396328 850691880 /nfs/dbraw/zinc/69/18/80/850691880.db2.gz PMXLKVWPTXZLIG-UHFFFAOYSA-N 1 1 393.285 3.546 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000515114201 850693262 /nfs/dbraw/zinc/69/32/62/850693262.db2.gz FDTXZOUWPGYEIU-MRXNPFEDSA-N 1 1 392.843 3.681 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000425421645 851008049 /nfs/dbraw/zinc/00/80/49/851008049.db2.gz ODDINUODKRBFHD-GUYCJALGSA-N 1 1 394.313 3.806 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000515572218 851183527 /nfs/dbraw/zinc/18/35/27/851183527.db2.gz RCFKHOWXRZOQOD-INIZCTEOSA-N 1 1 383.448 3.987 20 5 GHBDMO COC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000425460582 851184490 /nfs/dbraw/zinc/18/44/90/851184490.db2.gz RCAVRCLLHLTZHY-HNNXBMFYSA-N 1 1 383.217 3.974 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)o2)c1 ZINC000514099625 851263243 /nfs/dbraw/zinc/26/32/43/851263243.db2.gz PGUFJFPHGBRTJU-IBGZPJMESA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)o2)c1 ZINC000514099626 851263501 /nfs/dbraw/zinc/26/35/01/851263501.db2.gz PGUFJFPHGBRTJU-LJQANCHMSA-N 1 1 385.464 3.542 20 5 GHBDMO CC(C)c1nc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000515683479 851333397 /nfs/dbraw/zinc/33/33/97/851333397.db2.gz LTQXMLHDJLAFMG-KRWDZBQOSA-N 1 1 385.493 3.830 20 5 GHBDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000434621516 851337862 /nfs/dbraw/zinc/33/78/62/851337862.db2.gz UDLLRZRCPJCENU-FXAWDEMLSA-N 1 1 376.428 3.803 20 5 GHBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436284276 851407695 /nfs/dbraw/zinc/40/76/95/851407695.db2.gz MQVOEQQPFJUOQD-UZLBHIALSA-N 1 1 388.512 3.699 20 5 GHBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000436284276 851407700 /nfs/dbraw/zinc/40/77/00/851407700.db2.gz MQVOEQQPFJUOQD-UZLBHIALSA-N 1 1 388.512 3.699 20 5 GHBDMO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000488513116 851576970 /nfs/dbraw/zinc/57/69/70/851576970.db2.gz KBNPQABAZGYZCR-UZLBHIALSA-N 1 1 381.476 3.798 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425547544 851615790 /nfs/dbraw/zinc/61/57/90/851615790.db2.gz FVBMMPXFSTYDHO-HXUWFJFHSA-N 1 1 387.480 3.513 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000481799879 862293216 /nfs/dbraw/zinc/29/32/16/862293216.db2.gz LGMOBOMJJVZLBZ-KRWDZBQOSA-N 1 1 397.475 3.664 20 5 GHBDMO Cc1cc(NCCCC[N@@H+]2CCCC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489171983 852082743 /nfs/dbraw/zinc/08/27/43/852082743.db2.gz AFMOQVNPXUGEIC-QGZVFWFLSA-N 1 1 383.496 3.849 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)NCC(F)F ZINC000481813591 862327688 /nfs/dbraw/zinc/32/76/88/862327688.db2.gz FXXJVUMERLPSOI-UHFFFAOYSA-N 1 1 399.781 3.511 20 5 GHBDMO Cc1ccc(N2CCC(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000489377082 852282136 /nfs/dbraw/zinc/28/21/36/852282136.db2.gz IZUNINPUAKJDKP-UHFFFAOYSA-N 1 1 397.479 3.502 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323768125 852339202 /nfs/dbraw/zinc/33/92/02/852339202.db2.gz YJDPAJNCHHOOKB-HNNXBMFYSA-N 1 1 387.867 3.842 20 5 GHBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426002257 852372967 /nfs/dbraw/zinc/37/29/67/852372967.db2.gz ODJLBGVBFRXVJM-WMZOPIPTSA-N 1 1 392.459 3.650 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000150801544 852406295 /nfs/dbraw/zinc/40/62/95/852406295.db2.gz DSWAUKKMLOHEIZ-CVEARBPZSA-N 1 1 393.484 3.599 20 5 GHBDMO Cc1cc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000425666560 852578223 /nfs/dbraw/zinc/57/82/23/852578223.db2.gz YECGQLVZRYYBKB-FXAWDEMLSA-N 1 1 380.448 3.641 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000505919692 852589292 /nfs/dbraw/zinc/58/92/92/852589292.db2.gz ULWSECLINGVSPZ-HOTGVXAUSA-N 1 1 384.480 3.803 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000507161735 852610381 /nfs/dbraw/zinc/61/03/81/852610381.db2.gz AWMKSRGZXWJZFB-MRXNPFEDSA-N 1 1 383.448 3.730 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000489886490 852624591 /nfs/dbraw/zinc/62/45/91/852624591.db2.gz MTOWLEBMUTUXCB-QGZVFWFLSA-N 1 1 396.491 3.712 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000437850657 852842292 /nfs/dbraw/zinc/84/22/92/852842292.db2.gz NRXDLAIFRCPPIG-OAHLLOKOSA-N 1 1 377.510 3.844 20 5 GHBDMO C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490258122 852863817 /nfs/dbraw/zinc/86/38/17/852863817.db2.gz YOTOJJJKYZPKBO-YJBOKZPZSA-N 1 1 392.459 3.717 20 5 GHBDMO C[C@@]1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000490524659 853073846 /nfs/dbraw/zinc/07/38/46/853073846.db2.gz SYCSTGMIWRSARW-QFIPXVFZSA-N 1 1 397.475 3.535 20 5 GHBDMO C[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000437480265 853184601 /nfs/dbraw/zinc/18/46/01/853184601.db2.gz XVXKUJPCDPIKHI-KRWDZBQOSA-N 1 1 399.516 3.810 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(C)cccc1C ZINC000163488244 862436507 /nfs/dbraw/zinc/43/65/07/862436507.db2.gz OMVDUPJBHHYJIT-UHFFFAOYSA-N 1 1 398.463 3.501 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000517009351 853250790 /nfs/dbraw/zinc/25/07/90/853250790.db2.gz OTJMVMWWYBQNOO-JKSUJKDBSA-N 1 1 377.488 3.532 20 5 GHBDMO CCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729480152 853353697 /nfs/dbraw/zinc/35/36/97/853353697.db2.gz NKFWFRWBVTWBQA-MRXNPFEDSA-N 1 1 381.448 3.955 20 5 GHBDMO CCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729480152 853353701 /nfs/dbraw/zinc/35/37/01/853353701.db2.gz NKFWFRWBVTWBQA-MRXNPFEDSA-N 1 1 381.448 3.955 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491133118 853469071 /nfs/dbraw/zinc/46/90/71/853469071.db2.gz JSQLGPKAAWBKNV-ZDUSSCGKSA-N 1 1 392.818 3.633 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491133118 853469075 /nfs/dbraw/zinc/46/90/75/853469075.db2.gz JSQLGPKAAWBKNV-ZDUSSCGKSA-N 1 1 392.818 3.633 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)nc2c1 ZINC000518535129 853489249 /nfs/dbraw/zinc/48/92/49/853489249.db2.gz YDLGZNIWRSCXNL-QGZVFWFLSA-N 1 1 391.475 3.758 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000055103226 853645652 /nfs/dbraw/zinc/64/56/52/853645652.db2.gz GBWYXCVLMIPZKN-CQSZACIVSA-N 1 1 399.447 3.516 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N[C@H]3CCc4c[nH+]cn4C3)c([N+](=O)[O-])c2)cc1 ZINC000588067767 854091774 /nfs/dbraw/zinc/09/17/74/854091774.db2.gz OHFMQTVRPDGWNF-KRWDZBQOSA-N 1 1 391.431 3.779 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000301458859 854835047 /nfs/dbraw/zinc/83/50/47/854835047.db2.gz ZLRRZDPKESILDX-UGSOOPFHSA-N 1 1 388.493 3.511 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248389080 854835167 /nfs/dbraw/zinc/83/51/67/854835167.db2.gz ALBZNSCGAKWPFX-HRCADAONSA-N 1 1 391.537 3.845 20 5 GHBDMO COc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc([N+](=O)[O-])c1C ZINC000253279437 854863966 /nfs/dbraw/zinc/86/39/66/854863966.db2.gz SENXZNUPOPQZSU-WBVHZDCISA-N 1 1 389.496 3.638 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000482049040 862641393 /nfs/dbraw/zinc/64/13/93/862641393.db2.gz ZIVDUWWCFYFBIW-PZJWPPBQSA-N 1 1 395.459 3.620 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301550802 855241280 /nfs/dbraw/zinc/24/12/80/855241280.db2.gz QTKQFVVEWXYAGD-KBPBESRZSA-N 1 1 397.317 3.843 20 5 GHBDMO Cc1cc(-c2noc([C@@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC000543548259 862657437 /nfs/dbraw/zinc/65/74/37/862657437.db2.gz HCCJETWEUNHKCE-CYBMUJFWSA-N 1 1 386.383 3.822 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273374759 855317388 /nfs/dbraw/zinc/31/73/88/855317388.db2.gz HIZDLJIQXPMPTM-MRXNPFEDSA-N 1 1 386.427 3.720 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301608863 855337386 /nfs/dbraw/zinc/33/73/86/855337386.db2.gz AGMOZDDFZAMWIQ-APWZRJJASA-N 1 1 396.491 3.808 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000590421541 855401140 /nfs/dbraw/zinc/40/11/40/855401140.db2.gz OXOACQPYEXDPSY-HXUWFJFHSA-N 1 1 381.476 3.508 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000590453816 855428353 /nfs/dbraw/zinc/42/83/53/855428353.db2.gz ZUBVTXIJHYZGCL-UHFFFAOYSA-N 1 1 382.464 3.566 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553818628 855474596 /nfs/dbraw/zinc/47/45/96/855474596.db2.gz BCDGMGAYTNEZIO-PXNSSMCTSA-N 1 1 396.491 3.614 20 5 GHBDMO COC(=O)c1c(Cl)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000590568415 855493366 /nfs/dbraw/zinc/49/33/66/855493366.db2.gz FRUSZERAWXAUMZ-CQSZACIVSA-N 1 1 389.839 3.721 20 5 GHBDMO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000057821394 855744043 /nfs/dbraw/zinc/74/40/43/855744043.db2.gz LLRFTFIDHOPYHT-FQEVSTJZSA-N 1 1 382.464 3.821 20 5 GHBDMO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000057821394 855744048 /nfs/dbraw/zinc/74/40/48/855744048.db2.gz LLRFTFIDHOPYHT-FQEVSTJZSA-N 1 1 382.464 3.821 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000427604100 855791927 /nfs/dbraw/zinc/79/19/27/855791927.db2.gz XLPCGKPESNNAJK-AWEZNQCLSA-N 1 1 399.413 3.884 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000573423524 856118593 /nfs/dbraw/zinc/11/85/93/856118593.db2.gz FOLQGJIFLBGXJS-TTYHFUOFSA-N 1 1 389.496 3.575 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000499427894 856209740 /nfs/dbraw/zinc/20/97/40/856209740.db2.gz NYBPXWXJFQXHDH-JKSUJKDBSA-N 1 1 392.459 3.811 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000499427894 856209747 /nfs/dbraw/zinc/20/97/47/856209747.db2.gz NYBPXWXJFQXHDH-JKSUJKDBSA-N 1 1 392.459 3.811 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712450 856217700 /nfs/dbraw/zinc/21/77/00/856217700.db2.gz WZKYMHHTZWMDIN-AWEZNQCLSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)[C@@H]2C1 ZINC000591803525 856286599 /nfs/dbraw/zinc/28/65/99/856286599.db2.gz VOXGJZHKNPXONZ-KBXCAEBGSA-N 1 1 389.521 3.796 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3O)n2)c1 ZINC000280991840 862781576 /nfs/dbraw/zinc/78/15/76/862781576.db2.gz LWUVWIAKONEVHA-KSZLIROESA-N 1 1 386.452 3.550 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCCC[C@H]3O)n2)cc1 ZINC000280976528 862787349 /nfs/dbraw/zinc/78/73/49/862787349.db2.gz KYDOHSHDUHBOPE-RCCFBDPRSA-N 1 1 386.452 3.550 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)nc1 ZINC000172358622 856409863 /nfs/dbraw/zinc/40/98/63/856409863.db2.gz IQGPUZLBRIUPRJ-MRXNPFEDSA-N 1 1 383.839 3.878 20 5 GHBDMO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429236755 856697647 /nfs/dbraw/zinc/69/76/47/856697647.db2.gz MJYZTVIKPOEOLL-OAHLLOKOSA-N 1 1 385.464 3.648 20 5 GHBDMO Cc1ccc(C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC2CC2)cn1 ZINC000592146004 856710103 /nfs/dbraw/zinc/71/01/03/856710103.db2.gz IVPDCURTVDXOOL-UHFFFAOYSA-N 1 1 382.464 3.847 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485592363 856819412 /nfs/dbraw/zinc/81/94/12/856819412.db2.gz PVOBUSSKBFWCCU-UHFFFAOYSA-N 1 1 391.418 3.572 20 5 GHBDMO COc1cc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000508025159 856829073 /nfs/dbraw/zinc/82/90/73/856829073.db2.gz FRYODMXWHFORFZ-UHFFFAOYSA-N 1 1 386.448 3.964 20 5 GHBDMO CC(C)N(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592694876 857028163 /nfs/dbraw/zinc/02/81/63/857028163.db2.gz OJOGJYWWYARHBC-HXUWFJFHSA-N 1 1 381.476 3.649 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000173768609 857138135 /nfs/dbraw/zinc/13/81/35/857138135.db2.gz CQWKGADLWRZKPK-GFCCVEGCSA-N 1 1 387.402 3.854 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000041895979 857312328 /nfs/dbraw/zinc/31/23/28/857312328.db2.gz QJCQBQXWOFWECQ-UHFFFAOYSA-N 1 1 381.432 3.727 20 5 GHBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000174540593 857339867 /nfs/dbraw/zinc/33/98/67/857339867.db2.gz IORYBXYPFSULRI-INIZCTEOSA-N 1 1 383.448 3.801 20 5 GHBDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000055152301 857438065 /nfs/dbraw/zinc/43/80/65/857438065.db2.gz CMZHCDDIVMLXCT-STQMWFEESA-N 1 1 375.400 3.729 20 5 GHBDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000301764889 857591050 /nfs/dbraw/zinc/59/10/50/857591050.db2.gz CTRXEIKUBYXLNT-QRWLVFNGSA-N 1 1 383.496 3.739 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000486308817 857629560 /nfs/dbraw/zinc/62/95/60/857629560.db2.gz KTSIOEHBALPJHD-UHFFFAOYSA-N 1 1 391.418 3.572 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000907796707 857783179 /nfs/dbraw/zinc/78/31/79/857783179.db2.gz PBYDJUAEINLTDP-UHFFFAOYSA-N 1 1 393.802 3.774 20 5 GHBDMO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312609117 857886212 /nfs/dbraw/zinc/88/62/12/857886212.db2.gz ZFPBMQMXUNIFSP-DZGCQCFKSA-N 1 1 383.477 3.922 20 5 GHBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000059287207 858279843 /nfs/dbraw/zinc/27/98/43/858279843.db2.gz YPPICSAGIICKJC-OAQYLSRUSA-N 1 1 395.503 3.727 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000066853201 858322067 /nfs/dbraw/zinc/32/20/67/858322067.db2.gz XXXFJVYAJGGGSS-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000066853201 858322077 /nfs/dbraw/zinc/32/20/77/858322077.db2.gz XXXFJVYAJGGGSS-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO COc1cc(C[NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000594965647 858348406 /nfs/dbraw/zinc/34/84/06/858348406.db2.gz BPAGYVLBCHSIPL-MRXNPFEDSA-N 1 1 392.374 3.592 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000595018483 858351870 /nfs/dbraw/zinc/35/18/70/858351870.db2.gz BFNWZFCBFPTINZ-WBMJQRKESA-N 1 1 389.839 3.713 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000595017741 858352361 /nfs/dbraw/zinc/35/23/61/858352361.db2.gz OAZJXGTZWRBGEI-AUUYWEPGSA-N 1 1 399.447 3.572 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000595008067 858365145 /nfs/dbraw/zinc/36/51/45/858365145.db2.gz PGAYORFZIXNFNL-NSHDSACASA-N 1 1 378.812 3.879 20 5 GHBDMO CC1(C)C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000595074803 858411400 /nfs/dbraw/zinc/41/14/00/858411400.db2.gz WUFQBDWGZNJJMY-UGKGYDQZSA-N 1 1 395.503 3.674 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000439120613 858428201 /nfs/dbraw/zinc/42/82/01/858428201.db2.gz VKLWILXRPVFYNQ-LBPRGKRZSA-N 1 1 393.896 3.795 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000439120613 858428203 /nfs/dbraw/zinc/42/82/03/858428203.db2.gz VKLWILXRPVFYNQ-LBPRGKRZSA-N 1 1 393.896 3.795 20 5 GHBDMO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595315703 858469119 /nfs/dbraw/zinc/46/91/19/858469119.db2.gz RWZCMZHAVUFAFV-LJQANCHMSA-N 1 1 377.460 3.737 20 5 GHBDMO O=C(C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC000595362953 858518091 /nfs/dbraw/zinc/51/80/91/858518091.db2.gz UOMDZQSVMCDRID-UHFFFAOYSA-N 1 1 383.423 3.535 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000595564429 858554333 /nfs/dbraw/zinc/55/43/33/858554333.db2.gz ZBKVHHBGEUTBAY-HNNXBMFYSA-N 1 1 388.317 3.846 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000011172647 858610888 /nfs/dbraw/zinc/61/08/88/858610888.db2.gz MJMCIHCDZHATMR-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000011172647 858610895 /nfs/dbraw/zinc/61/08/95/858610895.db2.gz MJMCIHCDZHATMR-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c([N+](=O)[O-])cc1OC ZINC000575170293 858614214 /nfs/dbraw/zinc/61/42/14/858614214.db2.gz CIKLHDJQHLYHEM-NRFANRHFSA-N 1 1 384.432 3.582 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccsc2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000595600513 858628237 /nfs/dbraw/zinc/62/82/37/858628237.db2.gz GYQJIVCHXOQVTD-UHFFFAOYSA-N 1 1 377.466 3.904 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000595600513 858628241 /nfs/dbraw/zinc/62/82/41/858628241.db2.gz GYQJIVCHXOQVTD-UHFFFAOYSA-N 1 1 377.466 3.904 20 5 GHBDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000126942921 858641849 /nfs/dbraw/zinc/64/18/49/858641849.db2.gz TUDIFXNJXHIYLI-IBGZPJMESA-N 1 1 382.464 3.964 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595789327 858687895 /nfs/dbraw/zinc/68/78/95/858687895.db2.gz LYCWRSNFXPJBKU-KYJSFNMBSA-N 1 1 386.452 3.987 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595789332 858689117 /nfs/dbraw/zinc/68/91/17/858689117.db2.gz LYCWRSNFXPJBKU-UWWQBHOKSA-N 1 1 386.452 3.987 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000595907034 858713974 /nfs/dbraw/zinc/71/39/74/858713974.db2.gz DIEUNOARBXOSNK-UHFFFAOYSA-N 1 1 379.416 3.514 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522176983 858724027 /nfs/dbraw/zinc/72/40/27/858724027.db2.gz KLUAFMUXUBKWEL-HXUWFJFHSA-N 1 1 396.491 3.639 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000595921697 858735270 /nfs/dbraw/zinc/73/52/70/858735270.db2.gz WBMGZFCWSYKVSD-LBPRGKRZSA-N 1 1 395.868 3.871 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000595921697 858735272 /nfs/dbraw/zinc/73/52/72/858735272.db2.gz WBMGZFCWSYKVSD-LBPRGKRZSA-N 1 1 395.868 3.871 20 5 GHBDMO CC(C)([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429266105 858863902 /nfs/dbraw/zinc/86/39/02/858863902.db2.gz SCNUYQKBVLDPCU-UHFFFAOYSA-N 1 1 395.503 3.901 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000482827258 858887780 /nfs/dbraw/zinc/88/77/80/858887780.db2.gz QVJQIPXKKVXVER-LEWJYISDSA-N 1 1 395.459 3.620 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170327207 881364877 /nfs/dbraw/zinc/36/48/77/881364877.db2.gz FRQHJARBHCHYFY-ZBFHGGJFSA-N 1 1 393.484 3.524 20 5 GHBDMO Cc1cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)ccc1[N+](=O)[O-] ZINC000596613159 858968079 /nfs/dbraw/zinc/96/80/79/858968079.db2.gz CDCJSUUDWKNWCU-BEFAXECRSA-N 1 1 394.431 3.915 20 5 GHBDMO Cc1cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)ccc1[N+](=O)[O-] ZINC000596613159 858968080 /nfs/dbraw/zinc/96/80/80/858968080.db2.gz CDCJSUUDWKNWCU-BEFAXECRSA-N 1 1 394.431 3.915 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170328997 881367284 /nfs/dbraw/zinc/36/72/84/881367284.db2.gz MUFNAXZQBONDDC-YLJYHZDGSA-N 1 1 383.492 3.741 20 5 GHBDMO COc1ccc(C[C@@H](C)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170328997 881367304 /nfs/dbraw/zinc/36/73/04/881367304.db2.gz MUFNAXZQBONDDC-YLJYHZDGSA-N 1 1 383.492 3.741 20 5 GHBDMO COc1ccc(C[C@@H](C)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170328997 881367324 /nfs/dbraw/zinc/36/73/24/881367324.db2.gz MUFNAXZQBONDDC-YLJYHZDGSA-N 1 1 383.492 3.741 20 5 GHBDMO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491205599 859087245 /nfs/dbraw/zinc/08/72/45/859087245.db2.gz QTYYYJKRCYUFES-UHFFFAOYSA-N 1 1 375.375 3.724 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596829995 859112470 /nfs/dbraw/zinc/11/24/70/859112470.db2.gz PVHLOXQLNMEHHF-QGZVFWFLSA-N 1 1 386.496 3.676 20 5 GHBDMO Cc1c(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000596889865 859128632 /nfs/dbraw/zinc/12/86/32/859128632.db2.gz ZHGBHFCFQUEHCE-GFCCVEGCSA-N 1 1 399.289 3.660 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596955000 859193561 /nfs/dbraw/zinc/19/35/61/859193561.db2.gz OHJFRXRRVDZCLR-NRFANRHFSA-N 1 1 394.475 3.543 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000601366322 859200809 /nfs/dbraw/zinc/20/08/09/859200809.db2.gz GRUIRCVENWOTCZ-WBVHZDCISA-N 1 1 385.439 3.764 20 5 GHBDMO COc1ccc(C[C@H](C)N2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170355292 881400459 /nfs/dbraw/zinc/40/04/59/881400459.db2.gz YZRLWJBDEWRBFY-XTQVGHSUSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170355292 881400655 /nfs/dbraw/zinc/40/06/55/881400655.db2.gz YZRLWJBDEWRBFY-XTQVGHSUSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170355292 881400711 /nfs/dbraw/zinc/40/07/11/881400711.db2.gz YZRLWJBDEWRBFY-XTQVGHSUSA-N 1 1 395.503 3.741 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429411804 859299650 /nfs/dbraw/zinc/29/96/50/859299650.db2.gz YRBDGCZNBKXECD-CQSZACIVSA-N 1 1 379.258 3.504 20 5 GHBDMO COCC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000483486678 859408372 /nfs/dbraw/zinc/40/83/72/859408372.db2.gz FUFAGTUSGGXSBE-QGZVFWFLSA-N 1 1 384.480 3.800 20 5 GHBDMO Cc1ccc(CN2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1[N+](=O)[O-] ZINC000856560571 881440834 /nfs/dbraw/zinc/44/08/34/881440834.db2.gz IYEQYRSATPTDMQ-OAQYLSRUSA-N 1 1 398.507 3.792 20 5 GHBDMO Cc1ccc(CN2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1[N+](=O)[O-] ZINC000856560571 881440838 /nfs/dbraw/zinc/44/08/38/881440838.db2.gz IYEQYRSATPTDMQ-OAQYLSRUSA-N 1 1 398.507 3.792 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)co2)cc1 ZINC000611170527 859633337 /nfs/dbraw/zinc/63/33/37/859633337.db2.gz WRTNMMIIMXDUDJ-HDICACEKSA-N 1 1 390.443 3.818 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)[C@@H](C)C[N@@H+]1C ZINC000611265572 859672690 /nfs/dbraw/zinc/67/26/90/859672690.db2.gz GEPXDCCQJIOZHP-KGLIPLIRSA-N 1 1 377.510 3.794 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)[C@@H](C)C[N@H+]1C ZINC000611265572 859672693 /nfs/dbraw/zinc/67/26/93/859672693.db2.gz GEPXDCCQJIOZHP-KGLIPLIRSA-N 1 1 377.510 3.794 20 5 GHBDMO COc1cc(CN2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000611268187 859673734 /nfs/dbraw/zinc/67/37/34/859673734.db2.gz POVCACUMNQDTBK-KRWDZBQOSA-N 1 1 399.491 3.708 20 5 GHBDMO COc1cc(C[N@H+](C)Cc2cn[nH]c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611271958 859675658 /nfs/dbraw/zinc/67/56/58/859675658.db2.gz WBHIXCROLOSCEK-UHFFFAOYSA-N 1 1 382.420 3.538 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2cn[nH]c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611271958 859675662 /nfs/dbraw/zinc/67/56/62/859675662.db2.gz WBHIXCROLOSCEK-UHFFFAOYSA-N 1 1 382.420 3.538 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170345748 881469100 /nfs/dbraw/zinc/46/91/00/881469100.db2.gz LKHMIKLGESYLAI-ZBFHGGJFSA-N 1 1 378.469 3.588 20 5 GHBDMO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000474343212 859886927 /nfs/dbraw/zinc/88/69/27/859886927.db2.gz BITHHEYYZQSVGY-MRXNPFEDSA-N 1 1 394.374 3.666 20 5 GHBDMO CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161392777 859924686 /nfs/dbraw/zinc/92/46/86/859924686.db2.gz ZJHAZEQZIMLZOE-SFHVURJKSA-N 1 1 398.463 3.732 20 5 GHBDMO CCc1ccc([C@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)cc1 ZINC000484350927 859969217 /nfs/dbraw/zinc/96/92/17/859969217.db2.gz HBUAPJYTIREUOI-OAQYLSRUSA-N 1 1 397.475 3.868 20 5 GHBDMO CCc1ccc([C@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)cc1 ZINC000484350927 859969218 /nfs/dbraw/zinc/96/92/18/859969218.db2.gz HBUAPJYTIREUOI-OAQYLSRUSA-N 1 1 397.475 3.868 20 5 GHBDMO CC[N@@H+](CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000593488954 859969907 /nfs/dbraw/zinc/96/99/07/859969907.db2.gz PCKLEPMNZQNRCW-UHFFFAOYSA-N 1 1 389.543 3.516 20 5 GHBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895805581 859970360 /nfs/dbraw/zinc/97/03/60/859970360.db2.gz GCJJGEAARAKYIR-QMMMGPOBSA-N 1 1 389.214 3.612 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cccc1[N+](=O)[O-] ZINC000154058367 859976063 /nfs/dbraw/zinc/97/60/63/859976063.db2.gz MSSDFVAXVTUGPM-UHFFFAOYSA-N 1 1 393.447 3.754 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cccc1[N+](=O)[O-] ZINC000154058367 859976066 /nfs/dbraw/zinc/97/60/66/859976066.db2.gz MSSDFVAXVTUGPM-UHFFFAOYSA-N 1 1 393.447 3.754 20 5 GHBDMO COC(=O)c1cc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)oc1C ZINC000154126711 859997617 /nfs/dbraw/zinc/99/76/17/859997617.db2.gz GFIMDDIUXHMILK-UHFFFAOYSA-N 1 1 399.403 3.612 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H](O)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552146397 860000834 /nfs/dbraw/zinc/00/08/34/860000834.db2.gz FDPTUWHOXWEJRB-LJQANCHMSA-N 1 1 386.448 3.529 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c1 ZINC000555091694 860001665 /nfs/dbraw/zinc/00/16/65/860001665.db2.gz INECYMDUBVYXNV-UHFFFAOYSA-N 1 1 377.828 3.961 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351238 881491655 /nfs/dbraw/zinc/49/16/55/881491655.db2.gz BQEXBIBMTIEIHJ-LSDHHAIUSA-N 1 1 378.469 3.588 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123776945 860082637 /nfs/dbraw/zinc/08/26/37/860082637.db2.gz QIHAAKIERWLSMV-GJZGRUSLSA-N 1 1 394.431 3.943 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123776945 860082644 /nfs/dbraw/zinc/08/26/44/860082644.db2.gz QIHAAKIERWLSMV-GJZGRUSLSA-N 1 1 394.431 3.943 20 5 GHBDMO Cc1csc(Sc2ccc(C(=O)NCC[N@H+](C)C(C)C)cc2[N+](=O)[O-])n1 ZINC000522437796 860101662 /nfs/dbraw/zinc/10/16/62/860101662.db2.gz SEENXVGLQSIYPG-UHFFFAOYSA-N 1 1 394.522 3.581 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000598194054 860123995 /nfs/dbraw/zinc/12/39/95/860123995.db2.gz DWLFTQULDBWXPK-INIZCTEOSA-N 1 1 387.867 3.637 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1Br ZINC000602702060 860220172 /nfs/dbraw/zinc/22/01/72/860220172.db2.gz NIUQNQZTPFYMRI-GXFFZTMASA-N 1 1 375.288 3.810 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1Br ZINC000602702060 860220177 /nfs/dbraw/zinc/22/01/77/860220177.db2.gz NIUQNQZTPFYMRI-GXFFZTMASA-N 1 1 375.288 3.810 20 5 GHBDMO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000474536730 860310596 /nfs/dbraw/zinc/31/05/96/860310596.db2.gz UVUIJIJTWMKLKI-FOIQADDNSA-N 1 1 385.439 3.966 20 5 GHBDMO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000474536730 860310598 /nfs/dbraw/zinc/31/05/98/860310598.db2.gz UVUIJIJTWMKLKI-FOIQADDNSA-N 1 1 385.439 3.966 20 5 GHBDMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000154889747 860314092 /nfs/dbraw/zinc/31/40/92/860314092.db2.gz GUGONDMEVOQREE-HOTGVXAUSA-N 1 1 388.537 3.610 20 5 GHBDMO CC[C@@H](O)C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000093687800 860331428 /nfs/dbraw/zinc/33/14/28/860331428.db2.gz ZITANJFFXJNMGG-OAQYLSRUSA-N 1 1 394.475 3.768 20 5 GHBDMO CC(C)[N@@H+](CCc1nccs1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093764090 860345221 /nfs/dbraw/zinc/34/52/21/860345221.db2.gz ZDGCMYLSJDNFDH-UHFFFAOYSA-N 1 1 385.493 3.905 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000494330245 881533685 /nfs/dbraw/zinc/53/36/85/881533685.db2.gz OENOFDYYYWGZKP-CTNGQTDRSA-N 1 1 395.459 3.530 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552250088 860409806 /nfs/dbraw/zinc/40/98/06/860409806.db2.gz UYGWJKJCSMKQRQ-YLJYHZDGSA-N 1 1 399.539 3.908 20 5 GHBDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(C)noc1C ZINC000155901323 860633083 /nfs/dbraw/zinc/63/30/83/860633083.db2.gz QEOQROWWRJCISE-IINYFYTJSA-N 1 1 380.832 3.921 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000156009576 860654352 /nfs/dbraw/zinc/65/43/52/860654352.db2.gz UPZCFZWBTFCBRX-OAQYLSRUSA-N 1 1 397.475 3.505 20 5 GHBDMO CC[N@H+](C)Cc1cc(O[C@@H]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594220 881566978 /nfs/dbraw/zinc/56/69/78/881566978.db2.gz XVRORTFCDNHYAY-IIBYNOLFSA-N 1 1 384.480 3.656 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594220 881566984 /nfs/dbraw/zinc/56/69/84/881566984.db2.gz XVRORTFCDNHYAY-IIBYNOLFSA-N 1 1 384.480 3.656 20 5 GHBDMO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000593671436 860782112 /nfs/dbraw/zinc/78/21/12/860782112.db2.gz MIEJJZMATSJGEJ-LSDHHAIUSA-N 1 1 392.839 3.622 20 5 GHBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000593671436 860782117 /nfs/dbraw/zinc/78/21/17/860782117.db2.gz MIEJJZMATSJGEJ-LSDHHAIUSA-N 1 1 392.839 3.622 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000899513885 860963656 /nfs/dbraw/zinc/96/36/56/860963656.db2.gz WEZLIURKOSDONQ-UHFFFAOYSA-N 1 1 376.844 3.916 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000609193220 881614988 /nfs/dbraw/zinc/61/49/88/881614988.db2.gz CQBKGPBDZKISDM-UHFFFAOYSA-N 1 1 375.494 3.761 20 5 GHBDMO Cc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000302053682 861189935 /nfs/dbraw/zinc/18/99/35/861189935.db2.gz PJGDLWGEGVSBQN-INIZCTEOSA-N 1 1 375.856 3.735 20 5 GHBDMO C[C@@H]1SCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000522835199 863518434 /nfs/dbraw/zinc/51/84/34/863518434.db2.gz NOFADVNBOXNXLZ-QKYXUNIQSA-N 1 1 388.489 3.513 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444160919 863568044 /nfs/dbraw/zinc/56/80/44/863568044.db2.gz PLMWJDZLAYUIEV-GOSISDBHSA-N 1 1 389.499 3.676 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172898806 864095477 /nfs/dbraw/zinc/09/54/77/864095477.db2.gz YRKCAFASKZLKBX-GOSISDBHSA-N 1 1 393.447 3.527 20 5 GHBDMO CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184184513 864189619 /nfs/dbraw/zinc/18/96/19/864189619.db2.gz KNOMUNUUDWTLMC-GOSISDBHSA-N 1 1 392.459 3.813 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCCc1ccncc1)CC2 ZINC000792892913 881779515 /nfs/dbraw/zinc/77/95/15/881779515.db2.gz VPZZEAUFUWLJIT-UHFFFAOYSA-N 1 1 376.254 3.743 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCCc1ccncc1)CC2 ZINC000792892913 881779540 /nfs/dbraw/zinc/77/95/40/881779540.db2.gz VPZZEAUFUWLJIT-UHFFFAOYSA-N 1 1 376.254 3.743 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@@H](CSc4ccccc4)C3)n2)c1 ZINC000173402927 864714960 /nfs/dbraw/zinc/71/49/60/864714960.db2.gz VIYQSZSXMCXLIK-MRXNPFEDSA-N 1 1 395.488 3.925 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000480509167 864763270 /nfs/dbraw/zinc/76/32/70/864763270.db2.gz AYVGQKLEVGVASQ-CABCVRRESA-N 1 1 377.510 3.700 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000554964465 865226654 /nfs/dbraw/zinc/22/66/54/865226654.db2.gz DIFHSHSEJYMSAG-QGZVFWFLSA-N 1 1 389.496 3.768 20 5 GHBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)[nH+]c1 ZINC000736683532 865265051 /nfs/dbraw/zinc/26/50/51/865265051.db2.gz PINODQQBUUYCCB-UHFFFAOYSA-N 1 1 397.479 3.521 20 5 GHBDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000063738452 865267755 /nfs/dbraw/zinc/26/77/55/865267755.db2.gz UHOLINUENGFHCP-UHFFFAOYSA-N 1 1 384.480 3.667 20 5 GHBDMO CCS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000480891979 865474202 /nfs/dbraw/zinc/47/42/02/865474202.db2.gz KEUOIRYHBOAXGV-UKRRQHHQSA-N 1 1 381.498 3.538 20 5 GHBDMO CCS[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000480891979 865474209 /nfs/dbraw/zinc/47/42/09/865474209.db2.gz KEUOIRYHBOAXGV-UKRRQHHQSA-N 1 1 381.498 3.538 20 5 GHBDMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594325788 865853492 /nfs/dbraw/zinc/85/34/92/865853492.db2.gz LDWVUQGNFSYOLN-IBGZPJMESA-N 1 1 379.460 3.608 20 5 GHBDMO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000737414437 866211710 /nfs/dbraw/zinc/21/17/10/866211710.db2.gz YERMTSGNHMSRFI-RDJZCZTQSA-N 1 1 384.436 3.992 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000475553693 866263520 /nfs/dbraw/zinc/26/35/20/866263520.db2.gz PIKKOQCPYYLIGE-SFHVURJKSA-N 1 1 384.432 3.792 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000552802487 866290965 /nfs/dbraw/zinc/29/09/65/866290965.db2.gz VLGIKQLDJORXDU-HNNXBMFYSA-N 1 1 383.448 3.810 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000475561636 866298673 /nfs/dbraw/zinc/29/86/73/866298673.db2.gz CASGVUFHGOVVDM-IBGZPJMESA-N 1 1 396.443 3.799 20 5 GHBDMO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475561281 866301496 /nfs/dbraw/zinc/30/14/96/866301496.db2.gz BAFJYMFLSZVXBC-HNNXBMFYSA-N 1 1 390.461 3.718 20 5 GHBDMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475561281 866301512 /nfs/dbraw/zinc/30/15/12/866301512.db2.gz BAFJYMFLSZVXBC-HNNXBMFYSA-N 1 1 390.461 3.718 20 5 GHBDMO CSc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000456334034 866492031 /nfs/dbraw/zinc/49/20/31/866492031.db2.gz LWWXYZCODYTLGQ-INIZCTEOSA-N 1 1 399.516 3.911 20 5 GHBDMO CSc1cccc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186660737 866554976 /nfs/dbraw/zinc/55/49/76/866554976.db2.gz RCFHNOYCMMBFQP-OAHLLOKOSA-N 1 1 387.505 3.957 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000183295930 866575183 /nfs/dbraw/zinc/57/51/83/866575183.db2.gz YAEOUGOKDFHFMV-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000183295930 866575192 /nfs/dbraw/zinc/57/51/92/866575192.db2.gz YAEOUGOKDFHFMV-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cnn(Cc2ccccc2)c1 ZINC000444675200 867051128 /nfs/dbraw/zinc/05/11/28/867051128.db2.gz MUVUZRMTZVVEKJ-AWEZNQCLSA-N 1 1 376.420 3.567 20 5 GHBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000444690795 867071448 /nfs/dbraw/zinc/07/14/48/867071448.db2.gz VNGVNLOJLREKGK-HNAYVOBHSA-N 1 1 384.411 3.962 20 5 GHBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000742407406 867274598 /nfs/dbraw/zinc/27/45/98/867274598.db2.gz BZNWSLAMBUARPK-SFHVURJKSA-N 1 1 396.447 3.628 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000542628324 867508158 /nfs/dbraw/zinc/50/81/58/867508158.db2.gz PWFJHVUDTJXWMV-HXUWFJFHSA-N 1 1 397.475 3.565 20 5 GHBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000457060329 867592008 /nfs/dbraw/zinc/59/20/08/867592008.db2.gz RUVUTDXQAYXXFF-UHFFFAOYSA-N 1 1 397.475 3.778 20 5 GHBDMO COc1ccc(C[N@@H+](C)C2CCOCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535073624 868107607 /nfs/dbraw/zinc/10/76/07/868107607.db2.gz RTCGDDJIPZEZAV-UHFFFAOYSA-N 1 1 386.448 3.793 20 5 GHBDMO Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000743389956 868144712 /nfs/dbraw/zinc/14/47/12/868144712.db2.gz YLIBENUZTONPDR-NRFANRHFSA-N 1 1 394.475 3.934 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000442719254 868400558 /nfs/dbraw/zinc/40/05/58/868400558.db2.gz RKXKGFLMQZRKFO-LSDHHAIUSA-N 1 1 385.489 3.959 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000029828907 868792459 /nfs/dbraw/zinc/79/24/59/868792459.db2.gz UTKMRTZGLGAPDV-HNNXBMFYSA-N 1 1 394.431 3.944 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncc(-c4ccccc4)s3)C2)nc1 ZINC000122274797 869383594 /nfs/dbraw/zinc/38/35/94/869383594.db2.gz JJQIBOBLDRAOLA-OAHLLOKOSA-N 1 1 381.461 3.800 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)s3)C2)nc1 ZINC000122274797 869383605 /nfs/dbraw/zinc/38/36/05/869383605.db2.gz JJQIBOBLDRAOLA-OAHLLOKOSA-N 1 1 381.461 3.800 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000475702023 882298500 /nfs/dbraw/zinc/29/85/00/882298500.db2.gz RHMMLYRYKHTHKY-ZBFHGGJFSA-N 1 1 388.420 3.713 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000475702023 882298515 /nfs/dbraw/zinc/29/85/15/882298515.db2.gz RHMMLYRYKHTHKY-ZBFHGGJFSA-N 1 1 388.420 3.713 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000539685846 869598635 /nfs/dbraw/zinc/59/86/35/869598635.db2.gz WEBJFWCIIHQWFV-IAGOWNOFSA-N 1 1 377.510 3.844 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539697992 869626426 /nfs/dbraw/zinc/62/64/26/869626426.db2.gz IEQPYPSOQFVICN-NVXWUHKLSA-N 1 1 394.834 3.669 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539697992 869626429 /nfs/dbraw/zinc/62/64/29/869626429.db2.gz IEQPYPSOQFVICN-NVXWUHKLSA-N 1 1 394.834 3.669 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000524890434 869734825 /nfs/dbraw/zinc/73/48/25/869734825.db2.gz DXIUBVYAAULPDB-CJNGLKHVSA-N 1 1 388.493 3.663 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000443223561 869828380 /nfs/dbraw/zinc/82/83/80/869828380.db2.gz MPJMMWVNOVPXNN-PHIMTYICSA-N 1 1 395.257 3.704 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000443223561 869828393 /nfs/dbraw/zinc/82/83/93/869828393.db2.gz MPJMMWVNOVPXNN-PHIMTYICSA-N 1 1 395.257 3.704 20 5 GHBDMO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000539849854 869897989 /nfs/dbraw/zinc/89/79/89/869897989.db2.gz OEMFUZVWKXNPJF-KRWDZBQOSA-N 1 1 380.391 3.969 20 5 GHBDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000539849854 869898003 /nfs/dbraw/zinc/89/80/03/869898003.db2.gz OEMFUZVWKXNPJF-KRWDZBQOSA-N 1 1 380.391 3.969 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000539910000 870008894 /nfs/dbraw/zinc/00/88/94/870008894.db2.gz MHOJBMYKIDMDDE-VQIMIIECSA-N 1 1 390.461 3.570 20 5 GHBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000538791593 870657306 /nfs/dbraw/zinc/65/73/06/870657306.db2.gz FNOVEGHJDATIBD-CVEARBPZSA-N 1 1 385.464 3.922 20 5 GHBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000538791593 870657312 /nfs/dbraw/zinc/65/73/12/870657312.db2.gz FNOVEGHJDATIBD-CVEARBPZSA-N 1 1 385.464 3.922 20 5 GHBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000538791593 870657318 /nfs/dbraw/zinc/65/73/18/870657318.db2.gz FNOVEGHJDATIBD-CVEARBPZSA-N 1 1 385.464 3.922 20 5 GHBDMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617711243 870772384 /nfs/dbraw/zinc/77/23/84/870772384.db2.gz OYLVBUZTTAAYJY-PKOBYXMFSA-N 1 1 381.476 3.727 20 5 GHBDMO CSc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001192929093 870793843 /nfs/dbraw/zinc/79/38/43/870793843.db2.gz MRAJMZHPGQSQNH-GOSISDBHSA-N 1 1 388.489 3.721 20 5 GHBDMO Cc1cnc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)o1 ZINC000441180459 870831623 /nfs/dbraw/zinc/83/16/23/870831623.db2.gz RBJDNHLLDBGPLQ-UHFFFAOYSA-N 1 1 398.488 3.938 20 5 GHBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC001169038336 871116614 /nfs/dbraw/zinc/11/66/14/871116614.db2.gz YFBHAQYLZZDZNT-ZFWWWQNUSA-N 1 1 394.928 3.907 20 5 GHBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC001169038335 871116837 /nfs/dbraw/zinc/11/68/37/871116837.db2.gz YFBHAQYLZZDZNT-UKRRQHHQSA-N 1 1 394.928 3.907 20 5 GHBDMO CC[N@@H+](C)[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000525729215 871306391 /nfs/dbraw/zinc/30/63/91/871306391.db2.gz POEYHTTZAHJGED-NRFANRHFSA-N 1 1 397.475 3.658 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000181640572 871318692 /nfs/dbraw/zinc/31/86/92/871318692.db2.gz ILEMNOXWGBKOFI-LJQANCHMSA-N 1 1 393.390 3.807 20 5 GHBDMO C[N@@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000540544958 871537811 /nfs/dbraw/zinc/53/78/11/871537811.db2.gz NTXLBAXWNFPIFW-UHFFFAOYSA-N 1 1 383.473 3.738 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001194478781 871740245 /nfs/dbraw/zinc/74/02/45/871740245.db2.gz YJEUBBKIBFKXCV-INIZCTEOSA-N 1 1 398.419 3.711 20 5 GHBDMO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767066567 872226003 /nfs/dbraw/zinc/22/60/03/872226003.db2.gz WZRGOIZULCLREM-XIKOKIGWSA-N 1 1 391.265 3.838 20 5 GHBDMO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767066567 872226022 /nfs/dbraw/zinc/22/60/22/872226022.db2.gz WZRGOIZULCLREM-XIKOKIGWSA-N 1 1 391.265 3.838 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1Cl ZINC000478035165 872346423 /nfs/dbraw/zinc/34/64/23/872346423.db2.gz DXPZPULHDNVMTJ-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CCC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000182449384 872351536 /nfs/dbraw/zinc/35/15/36/872351536.db2.gz FSCKFWLNDIGSAA-SFHVURJKSA-N 1 1 398.431 3.778 20 5 GHBDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCOc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000544516634 882621730 /nfs/dbraw/zinc/62/17/30/882621730.db2.gz GXHBFKVREGERBJ-CQSZACIVSA-N 1 1 382.420 3.937 20 5 GHBDMO COC(=O)[C@]12C[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001195613980 872538689 /nfs/dbraw/zinc/53/86/89/872538689.db2.gz PVWXJANHAKVIEN-CXAGYDPISA-N 1 1 397.269 3.523 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC001195728870 872580112 /nfs/dbraw/zinc/58/01/12/872580112.db2.gz JXFCHMFBUHRTQU-OTWHNJEPSA-N 1 1 383.492 3.957 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC001196083203 872869662 /nfs/dbraw/zinc/86/96/62/872869662.db2.gz IXGMDWDPVKUJMN-IBGZPJMESA-N 1 1 397.475 3.911 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC001196083203 872869675 /nfs/dbraw/zinc/86/96/75/872869675.db2.gz IXGMDWDPVKUJMN-IBGZPJMESA-N 1 1 397.475 3.911 20 5 GHBDMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000541099134 872928379 /nfs/dbraw/zinc/92/83/79/872928379.db2.gz ALJMBABAYKBKDD-QAPCUYQASA-N 1 1 398.463 3.636 20 5 GHBDMO COc1ccc([C@@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000128178279 873038087 /nfs/dbraw/zinc/03/80/87/873038087.db2.gz DCCNEZSNRWSLMY-CYBMUJFWSA-N 1 1 375.400 3.764 20 5 GHBDMO Cc1c(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)sc2nc(C)nc(C)c12 ZINC000768163236 873124226 /nfs/dbraw/zinc/12/42/26/873124226.db2.gz LWDKPHGMRUSHLA-UHFFFAOYSA-N 1 1 397.504 3.847 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000023009028 873272469 /nfs/dbraw/zinc/27/24/69/873272469.db2.gz UVFWLMKGWIPMON-UHFFFAOYSA-N 1 1 389.883 3.965 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000448432482 873379870 /nfs/dbraw/zinc/37/98/70/873379870.db2.gz XAQJMTDICMZSMK-CYBMUJFWSA-N 1 1 387.402 3.711 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000768555208 873382600 /nfs/dbraw/zinc/38/26/00/873382600.db2.gz OHBZNHBJQDKJJO-WFASDCNBSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000768555208 873382613 /nfs/dbraw/zinc/38/26/13/873382613.db2.gz OHBZNHBJQDKJJO-WFASDCNBSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)n1 ZINC000768940429 873706821 /nfs/dbraw/zinc/70/68/21/873706821.db2.gz JNMWZDZZYCZKJU-ZDUSSCGKSA-N 1 1 391.269 3.835 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)n1 ZINC000768940429 873706826 /nfs/dbraw/zinc/70/68/26/873706826.db2.gz JNMWZDZZYCZKJU-ZDUSSCGKSA-N 1 1 391.269 3.835 20 5 GHBDMO C[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541603720 873969660 /nfs/dbraw/zinc/96/96/60/873969660.db2.gz VIRGSSCACMPCMC-XYJFISCASA-N 1 1 399.466 3.864 20 5 GHBDMO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C1CCCC1 ZINC001197797350 874055421 /nfs/dbraw/zinc/05/54/21/874055421.db2.gz HUUORAQMMXBBPE-CYBMUJFWSA-N 1 1 382.302 3.806 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000023236328 874064586 /nfs/dbraw/zinc/06/45/86/874064586.db2.gz ZYANQCDLOYASDG-IBGZPJMESA-N 1 1 394.431 3.964 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000769510688 874118115 /nfs/dbraw/zinc/11/81/15/874118115.db2.gz BYPNKXNOWBLMBJ-LJQANCHMSA-N 1 1 387.455 3.929 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001198183839 874249014 /nfs/dbraw/zinc/24/90/14/874249014.db2.gz JQARODWZUJGENV-JXFKEZNVSA-N 1 1 375.469 3.864 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCC[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001198183839 874249016 /nfs/dbraw/zinc/24/90/16/874249016.db2.gz JQARODWZUJGENV-JXFKEZNVSA-N 1 1 375.469 3.864 20 5 GHBDMO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464774135 874465180 /nfs/dbraw/zinc/46/51/80/874465180.db2.gz IEQZQQRXNJNQCI-INIZCTEOSA-N 1 1 389.496 3.523 20 5 GHBDMO CC[N@H+](Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000463021635 874588319 /nfs/dbraw/zinc/58/83/19/874588319.db2.gz HDYVTUHHMYGXKV-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO CC[N@@H+](Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000463021635 874588333 /nfs/dbraw/zinc/58/83/33/874588333.db2.gz HDYVTUHHMYGXKV-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO COC(=O)[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(O)cc1 ZINC000449348706 874742696 /nfs/dbraw/zinc/74/26/96/874742696.db2.gz NNDNGMUNRZNSJM-VOLHBQGLSA-N 1 1 396.443 3.592 20 5 GHBDMO Cc1c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000465195923 875304826 /nfs/dbraw/zinc/30/48/26/875304826.db2.gz OPCDLCYMYNSYGZ-HNNXBMFYSA-N 1 1 383.448 3.876 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000542317159 875357679 /nfs/dbraw/zinc/35/76/79/875357679.db2.gz BLVCORDHKBTEEL-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000542317159 875357689 /nfs/dbraw/zinc/35/76/89/875357689.db2.gz BLVCORDHKBTEEL-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000609152105 875673537 /nfs/dbraw/zinc/67/35/37/875673537.db2.gz DDLXBVHWCAIIAP-QGZVFWFLSA-N 1 1 397.475 3.778 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](C)CCCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000030268791 875948907 /nfs/dbraw/zinc/94/89/07/875948907.db2.gz SUGORTSQYBBJMS-UHFFFAOYSA-N 1 1 389.427 3.772 20 5 GHBDMO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278149 876162949 /nfs/dbraw/zinc/16/29/49/876162949.db2.gz RQOPFXXJCOZKHD-QRWLVFNGSA-N 1 1 389.883 3.660 20 5 GHBDMO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000858318002 883021518 /nfs/dbraw/zinc/02/15/18/883021518.db2.gz BDZROTRBUSYMSZ-LBPRGKRZSA-N 1 1 393.827 3.538 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804536686 883026983 /nfs/dbraw/zinc/02/69/83/883026983.db2.gz ZGCBAYLANXGGSR-NRFANRHFSA-N 1 1 399.878 3.986 20 5 GHBDMO O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786494837 876752729 /nfs/dbraw/zinc/75/27/29/876752729.db2.gz XRIKHJNNNQLRSJ-UHFFFAOYSA-N 1 1 388.330 3.513 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000109312734 876872530 /nfs/dbraw/zinc/87/25/30/876872530.db2.gz ICNXISBMYPKOPK-CLNPQZTCSA-N 1 1 394.475 3.516 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CCC(=O)N2CCCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542494680 883073298 /nfs/dbraw/zinc/07/32/98/883073298.db2.gz MZPWBUJFNILHDO-NRFANRHFSA-N 1 1 385.464 3.832 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)c(C(=O)OC)n2)cc1[N+](=O)[O-] ZINC000850513934 876985084 /nfs/dbraw/zinc/98/50/84/876985084.db2.gz QOUBJSQDKPNVHB-NSHDSACASA-N 1 1 393.827 3.679 20 5 GHBDMO COc1cc(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)c([N+](=O)[O-])cc1OCC(F)F ZINC000451000027 877208868 /nfs/dbraw/zinc/20/88/68/877208868.db2.gz MXDPSHHCJDJZEK-NEPJUHHUSA-N 1 1 395.406 3.863 20 5 GHBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492676572 877328741 /nfs/dbraw/zinc/32/87/41/877328741.db2.gz RLCZUMYDWYCKET-NVXWUHKLSA-N 1 1 377.485 3.510 20 5 GHBDMO Cc1noc(C[NH+]2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000851737847 877886979 /nfs/dbraw/zinc/88/69/79/877886979.db2.gz PPQOVUKBJQUSDR-OAHLLOKOSA-N 1 1 394.472 3.503 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000851761832 877903162 /nfs/dbraw/zinc/90/31/62/877903162.db2.gz BLOZTEZPGBVHTN-CYBMUJFWSA-N 1 1 381.448 3.859 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000851890411 877961625 /nfs/dbraw/zinc/96/16/25/877961625.db2.gz BHVDYJSLPUBNOD-UHFFFAOYSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851919057 877976151 /nfs/dbraw/zinc/97/61/51/877976151.db2.gz GLOQXDBKDAHCFP-CVEARBPZSA-N 1 1 379.432 3.708 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851919057 877976154 /nfs/dbraw/zinc/97/61/54/877976154.db2.gz GLOQXDBKDAHCFP-CVEARBPZSA-N 1 1 379.432 3.708 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000530554936 878051768 /nfs/dbraw/zinc/05/17/68/878051768.db2.gz BXAWPZDKAHAPIT-UAGQMJEPSA-N 1 1 376.453 3.547 20 5 GHBDMO CN(C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)C(=O)OC(C)(C)C ZINC000788475956 878089495 /nfs/dbraw/zinc/08/94/95/878089495.db2.gz JRSPVTVWBRUQDS-HNNXBMFYSA-N 1 1 381.448 3.813 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)C(=O)OC(C)(C)C ZINC000788475956 878089513 /nfs/dbraw/zinc/08/95/13/878089513.db2.gz JRSPVTVWBRUQDS-HNNXBMFYSA-N 1 1 381.448 3.813 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)c1ccccc1Br ZINC000852149598 878104064 /nfs/dbraw/zinc/10/40/64/878104064.db2.gz KAXWTIPJPGEQKY-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)c1ccccc1Br ZINC000852149598 878104074 /nfs/dbraw/zinc/10/40/74/878104074.db2.gz KAXWTIPJPGEQKY-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO O=c1[nH]c(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccccc21 ZINC000451552233 878136047 /nfs/dbraw/zinc/13/60/47/878136047.db2.gz WEPZLOQAKUIJAD-MRXNPFEDSA-N 1 1 378.432 3.666 20 5 GHBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000776579173 878190339 /nfs/dbraw/zinc/19/03/39/878190339.db2.gz LEOGPEOXRASQJZ-BZSNNMDCSA-N 1 1 397.258 3.525 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000451623869 878233859 /nfs/dbraw/zinc/23/38/59/878233859.db2.gz DBPHREJJGPOHBU-APWZRJJASA-N 1 1 387.480 3.513 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000852319163 878235683 /nfs/dbraw/zinc/23/56/83/878235683.db2.gz ZFPSMTYNDRWCAU-UXHICEINSA-N 1 1 398.459 3.569 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000616132037 878557710 /nfs/dbraw/zinc/55/77/10/878557710.db2.gz GXSNZJBRBFGZNN-FQEVSTJZSA-N 1 1 384.432 3.730 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000616132037 878557717 /nfs/dbraw/zinc/55/77/17/878557717.db2.gz GXSNZJBRBFGZNN-FQEVSTJZSA-N 1 1 384.432 3.730 20 5 GHBDMO COc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000616360977 878789075 /nfs/dbraw/zinc/78/90/75/878789075.db2.gz WCSDORWDKYUTRW-INIZCTEOSA-N 1 1 397.475 3.648 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000180343447 878798224 /nfs/dbraw/zinc/79/82/24/878798224.db2.gz NLRMHIUHMSTBDT-QGZVFWFLSA-N 1 1 396.491 3.763 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC=C(c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000789478367 879036945 /nfs/dbraw/zinc/03/69/45/879036945.db2.gz LPFVFWLIPZAUFA-UHFFFAOYSA-N 1 1 396.443 3.744 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CC=C(c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000789478367 879036957 /nfs/dbraw/zinc/03/69/57/879036957.db2.gz LPFVFWLIPZAUFA-UHFFFAOYSA-N 1 1 396.443 3.744 20 5 GHBDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492117 879060123 /nfs/dbraw/zinc/06/01/23/879060123.db2.gz GTNSKWYLUKVSBM-UHFFFAOYSA-N 1 1 381.436 3.732 20 5 GHBDMO CCC[N@H+](Cc1ccc(OC)cc1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492117 879060137 /nfs/dbraw/zinc/06/01/37/879060137.db2.gz GTNSKWYLUKVSBM-UHFFFAOYSA-N 1 1 381.436 3.732 20 5 GHBDMO CC(C)c1ccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000789593185 879102508 /nfs/dbraw/zinc/10/25/08/879102508.db2.gz AAYPGRHQOGCYSA-FQEVSTJZSA-N 1 1 381.476 3.951 20 5 GHBDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000789593185 879102518 /nfs/dbraw/zinc/10/25/18/879102518.db2.gz AAYPGRHQOGCYSA-FQEVSTJZSA-N 1 1 381.476 3.951 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000531103883 879135924 /nfs/dbraw/zinc/13/59/24/879135924.db2.gz UFDZQUUOKKSHDG-SFHVURJKSA-N 1 1 386.395 3.597 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000538552267 879702244 /nfs/dbraw/zinc/70/22/44/879702244.db2.gz UKNVQHPQQJMUTD-FOIQADDNSA-N 1 1 382.464 3.526 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000152810769 879742126 /nfs/dbraw/zinc/74/21/26/879742126.db2.gz MJPWIZBPLJGRAU-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000531381959 879746241 /nfs/dbraw/zinc/74/62/41/879746241.db2.gz JWZRHHQXJJDKJT-TZMCWYRMSA-N 1 1 387.427 3.509 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)cc1[N+](=O)[O-] ZINC000790531065 879798496 /nfs/dbraw/zinc/79/84/96/879798496.db2.gz UIVMTXLBMOEPMX-UHFFFAOYSA-N 1 1 386.839 3.791 20 5 GHBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439261 879814272 /nfs/dbraw/zinc/81/42/72/879814272.db2.gz QCNZAMAHYCCNMW-SJLPKXTDSA-N 1 1 399.878 3.842 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000494068254 879890896 /nfs/dbraw/zinc/89/08/96/879890896.db2.gz GAKIFHPOTNRHRS-PKOBYXMFSA-N 1 1 381.476 3.913 20 5 GHBDMO C[N@H+](C[C@H]1OCCc2ccccc21)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774626837 912526893 /nfs/dbraw/zinc/52/68/93/912526893.db2.gz JYMIDHRXFRKCGU-GOSISDBHSA-N 1 1 386.839 3.801 20 5 GHBDMO C[N@@H+](C[C@H]1OCCc2ccccc21)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774626837 912526903 /nfs/dbraw/zinc/52/69/03/912526903.db2.gz JYMIDHRXFRKCGU-GOSISDBHSA-N 1 1 386.839 3.801 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C/C(C)=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000494235355 881311957 /nfs/dbraw/zinc/31/19/57/881311957.db2.gz VZIAZIITGHOHDM-ASNKMWSDSA-N 1 1 383.448 3.966 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C/C(C)=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000494235355 881311986 /nfs/dbraw/zinc/31/19/86/881311986.db2.gz VZIAZIITGHOHDM-ASNKMWSDSA-N 1 1 383.448 3.966 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000565598107 883677302 /nfs/dbraw/zinc/67/73/02/883677302.db2.gz QQUYOOMHLBFFDQ-AWEZNQCLSA-N 1 1 393.390 3.632 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609793742 883688170 /nfs/dbraw/zinc/68/81/70/883688170.db2.gz MYUKAMBJLYDEPF-HZPDHXFCSA-N 1 1 393.915 3.904 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000509504228 883788161 /nfs/dbraw/zinc/78/81/61/883788161.db2.gz RJDWYHDNNAFBPN-XLIONFOSSA-N 1 1 396.491 3.739 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001126674810 884540074 /nfs/dbraw/zinc/54/00/74/884540074.db2.gz AJLFRSDKBRHAGG-CYBMUJFWSA-N 1 1 385.386 3.608 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000914776301 884763884 /nfs/dbraw/zinc/76/38/84/884763884.db2.gz URMSQGNBMGLKIN-IYBDPMFKSA-N 1 1 384.432 3.561 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000914776301 884763895 /nfs/dbraw/zinc/76/38/95/884763895.db2.gz URMSQGNBMGLKIN-IYBDPMFKSA-N 1 1 384.432 3.561 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000556431797 884873621 /nfs/dbraw/zinc/87/36/21/884873621.db2.gz FFLMMNCFYRBUQX-UHFFFAOYSA-N 1 1 381.407 3.598 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000556431797 884873626 /nfs/dbraw/zinc/87/36/26/884873626.db2.gz FFLMMNCFYRBUQX-UHFFFAOYSA-N 1 1 381.407 3.598 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248944808 885323397 /nfs/dbraw/zinc/32/33/97/885323397.db2.gz ZEDSCIFPFNFMEM-LVCYWYKZSA-N 1 1 385.508 3.639 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000498711020 885428594 /nfs/dbraw/zinc/42/85/94/885428594.db2.gz RZOIKUUKXDNUCF-HNNXBMFYSA-N 1 1 379.526 3.899 20 5 GHBDMO COc1cc(C[N@H+](C)C2CCC(OC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272253655 885533799 /nfs/dbraw/zinc/53/37/99/885533799.db2.gz IUYJDPXGMNXBJS-UHFFFAOYSA-N 1 1 388.411 3.637 20 5 GHBDMO CCOc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000303453421 885577717 /nfs/dbraw/zinc/57/77/17/885577717.db2.gz FNWNRCSDIZQKPB-OAHLLOKOSA-N 1 1 377.485 3.624 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001131027849 885645001 /nfs/dbraw/zinc/64/50/01/885645001.db2.gz PXJDYLKFSALLEY-OAQYLSRUSA-N 1 1 381.476 3.886 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3ccno3)CC2)s1 ZINC000532477861 885786906 /nfs/dbraw/zinc/78/69/06/885786906.db2.gz PNPCPKVVAIJIFQ-UHFFFAOYSA-N 1 1 384.461 3.629 20 5 GHBDMO CCOCCCN1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000495439875 885808861 /nfs/dbraw/zinc/80/88/61/885808861.db2.gz OHEBYJSILKLTFX-CRAIPNDOSA-N 1 1 383.920 3.517 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000532484378 885811626 /nfs/dbraw/zinc/81/16/26/885811626.db2.gz SSNGHOCNZOONQM-GOSISDBHSA-N 1 1 395.459 3.990 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000532517956 885916294 /nfs/dbraw/zinc/91/62/94/885916294.db2.gz HRWBQTMMLOQMLP-QGZVFWFLSA-N 1 1 383.448 3.812 20 5 GHBDMO COc1ccc2c(c1)CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000532537520 885936138 /nfs/dbraw/zinc/93/61/38/885936138.db2.gz WUHAAWXSCXBRIH-UHFFFAOYSA-N 1 1 383.448 3.689 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000475862260 886245609 /nfs/dbraw/zinc/24/56/09/886245609.db2.gz AWZJEJUTLZATFF-UHFFFAOYSA-N 1 1 382.468 3.563 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000475862260 886245629 /nfs/dbraw/zinc/24/56/29/886245629.db2.gz AWZJEJUTLZATFF-UHFFFAOYSA-N 1 1 382.468 3.563 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3C[C@@H]4C[C@@H](c5ccccc5)[C@@H]4C3)n2)cc1 ZINC000863320703 887032707 /nfs/dbraw/zinc/03/27/07/887032707.db2.gz HXPDJIFPHILRPH-YSIASYRMSA-N 1 1 375.432 3.546 20 5 GHBDMO C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272304331 887073757 /nfs/dbraw/zinc/07/37/57/887073757.db2.gz JMMQIXSDPLGSQL-MJGOQNOKSA-N 1 1 396.491 3.647 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cnn(C)c2)cc1OC ZINC000542574733 887188183 /nfs/dbraw/zinc/18/81/83/887188183.db2.gz UMWOVYFZJGXNNB-UONOGXRCSA-N 1 1 376.457 3.613 20 5 GHBDMO C[C@@H]1CN(c2ccccc2C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000459311455 887267038 /nfs/dbraw/zinc/26/70/38/887267038.db2.gz XQQKYBSWNXHRHV-QGZVFWFLSA-N 1 1 381.476 3.985 20 5 GHBDMO C[C@@H]1CN(c2ccccc2C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000459311455 887267054 /nfs/dbraw/zinc/26/70/54/887267054.db2.gz XQQKYBSWNXHRHV-QGZVFWFLSA-N 1 1 381.476 3.985 20 5 GHBDMO COc1cc(-c2nc(-c3ccc(-n4cc[nH+]c4C)nc3)no2)cc([N+](=O)[O-])c1C ZINC000809374925 887346375 /nfs/dbraw/zinc/34/63/75/887346375.db2.gz VUNBEGSZAUKGKE-UHFFFAOYSA-N 1 1 392.375 3.518 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272498897 887590309 /nfs/dbraw/zinc/59/03/09/887590309.db2.gz GKPQDWQGVWFFRI-DYESRHJHSA-N 1 1 391.475 3.534 20 5 GHBDMO COc1ccc(CCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272524617 887631503 /nfs/dbraw/zinc/63/15/03/887631503.db2.gz LWJJJRQGCIVHFX-FQEVSTJZSA-N 1 1 380.448 3.649 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809719195 887741427 /nfs/dbraw/zinc/74/14/27/887741427.db2.gz WVOMEGFSKXTHAU-UHFFFAOYSA-N 1 1 396.285 3.904 20 5 GHBDMO O=C([C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)N1CCCC1 ZINC000809947113 888014558 /nfs/dbraw/zinc/01/45/58/888014558.db2.gz ZQSVCCOBKNSVAV-GFCCVEGCSA-N 1 1 386.279 3.736 20 5 GHBDMO O=C([C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)N1CCCC1 ZINC000809947113 888014564 /nfs/dbraw/zinc/01/45/64/888014564.db2.gz ZQSVCCOBKNSVAV-GFCCVEGCSA-N 1 1 386.279 3.736 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCO[C@H](c4ccccc4)C3)n2)cc1 ZINC000609233714 888172455 /nfs/dbraw/zinc/17/24/55/888172455.db2.gz HFPJBULIFPRNPE-SFHVURJKSA-N 1 1 380.404 3.608 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCO[C@H](c4ccccc4)C3)n2)cc1 ZINC000609233714 888172465 /nfs/dbraw/zinc/17/24/65/888172465.db2.gz HFPJBULIFPRNPE-SFHVURJKSA-N 1 1 380.404 3.608 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001132306841 888578805 /nfs/dbraw/zinc/57/88/05/888578805.db2.gz KHAOHVLRYPUEKY-UHVFKWDWSA-N 1 1 393.487 3.583 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001132306443 888579134 /nfs/dbraw/zinc/57/91/34/888579134.db2.gz IBUXULKNPOJSKR-PKOBYXMFSA-N 1 1 395.503 3.757 20 5 GHBDMO C[C@@H]1CCCN(c2ccc(C(=O)O[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000810847193 888938868 /nfs/dbraw/zinc/93/88/68/888938868.db2.gz MWTZXPMYJVGWCJ-NJAFHUGGSA-N 1 1 387.480 3.615 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H](C[NH+]4CCCCC4)C3)o2)c1 ZINC000173600758 889995130 /nfs/dbraw/zinc/99/51/30/889995130.db2.gz YKUKBEZRTDDRCM-QGZVFWFLSA-N 1 1 384.480 3.600 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H](OCC(F)(F)F)C3)o2)c1 ZINC000533449269 890565962 /nfs/dbraw/zinc/56/59/62/890565962.db2.gz SGEMRZWOCWMQLL-OAHLLOKOSA-N 1 1 399.369 3.836 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000533442528 890598181 /nfs/dbraw/zinc/59/81/81/890598181.db2.gz OMCHTFWYXFYITG-QFIPXVFZSA-N 1 1 395.459 3.947 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000533511783 890728869 /nfs/dbraw/zinc/72/88/69/890728869.db2.gz JEESLPBHMQDUGQ-LZWOXQAQSA-N 1 1 394.903 3.524 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000812763771 890968206 /nfs/dbraw/zinc/96/82/06/890968206.db2.gz VCVDUGCGMQYGLK-HXUWFJFHSA-N 1 1 375.469 3.879 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000812763771 890968214 /nfs/dbraw/zinc/96/82/14/890968214.db2.gz VCVDUGCGMQYGLK-HXUWFJFHSA-N 1 1 375.469 3.879 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872023361 891123018 /nfs/dbraw/zinc/12/30/18/891123018.db2.gz REZUMYSJAPPZMI-KFWWJZLASA-N 1 1 388.443 3.593 20 5 GHBDMO CCc1ccc2c(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc(=O)oc2c1 ZINC000917119413 891301013 /nfs/dbraw/zinc/30/10/13/891301013.db2.gz CWUZSZMDHSLNDE-UHFFFAOYSA-N 1 1 393.443 3.586 20 5 GHBDMO Cn1ccc2c1cccc2C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172683 891332210 /nfs/dbraw/zinc/33/22/10/891332210.db2.gz QRDWHKHQCYICNN-KRWDZBQOSA-N 1 1 379.416 3.518 20 5 GHBDMO Cn1ccc2c1cccc2C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172683 891332223 /nfs/dbraw/zinc/33/22/23/891332223.db2.gz QRDWHKHQCYICNN-KRWDZBQOSA-N 1 1 379.416 3.518 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000067712313 891736916 /nfs/dbraw/zinc/73/69/16/891736916.db2.gz VTWAVBREFITYRX-LJQANCHMSA-N 1 1 381.432 3.694 20 5 GHBDMO C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000497576412 891888984 /nfs/dbraw/zinc/88/89/84/891888984.db2.gz ILQKUNBAGRRYEI-INIZCTEOSA-N 1 1 379.460 3.533 20 5 GHBDMO C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000497576412 891888995 /nfs/dbraw/zinc/88/89/95/891888995.db2.gz ILQKUNBAGRRYEI-INIZCTEOSA-N 1 1 379.460 3.533 20 5 GHBDMO O=[N+]([O-])c1sccc1NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001185036213 913613251 /nfs/dbraw/zinc/61/32/51/913613251.db2.gz KVVTVHAPUADOCX-UHFFFAOYSA-N 1 1 380.901 3.934 20 5 GHBDMO Cc1cc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000533784456 892944903 /nfs/dbraw/zinc/94/49/03/892944903.db2.gz FBNQLGYMCDXXLR-QGZVFWFLSA-N 1 1 381.480 3.528 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC000814676546 893053956 /nfs/dbraw/zinc/05/39/56/893053956.db2.gz SVYNORGQHMFCBE-GASCZTMLSA-N 1 1 393.459 3.813 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000533850878 893240294 /nfs/dbraw/zinc/24/02/94/893240294.db2.gz VJCOXKOIAZBFMB-FQEVSTJZSA-N 1 1 382.464 3.702 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533850878 893240301 /nfs/dbraw/zinc/24/03/01/893240301.db2.gz VJCOXKOIAZBFMB-FQEVSTJZSA-N 1 1 382.464 3.702 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563067208 893335170 /nfs/dbraw/zinc/33/51/70/893335170.db2.gz FBQLKYJBHDRSNU-TZMCWYRMSA-N 1 1 386.395 3.596 20 5 GHBDMO Cc1ccc([C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)o1 ZINC000778254552 893745432 /nfs/dbraw/zinc/74/54/32/893745432.db2.gz NSJPRXSIVDMPGH-MRXNPFEDSA-N 1 1 393.390 3.541 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778278288 894001187 /nfs/dbraw/zinc/00/11/87/894001187.db2.gz XAFSASAQTKQRSH-HOTGVXAUSA-N 1 1 395.450 3.800 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC3(CC2)OCc2ccccc23)o1 ZINC000878190255 894082873 /nfs/dbraw/zinc/08/28/73/894082873.db2.gz LMQFFBMJXMRWMO-UHFFFAOYSA-N 1 1 392.415 3.666 20 5 GHBDMO C[C@H](C[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OC(C)(C)C ZINC000459812018 894199528 /nfs/dbraw/zinc/19/95/28/894199528.db2.gz RKPGUFIPAZRKGI-OLZOCXBDSA-N 1 1 390.440 3.615 20 5 GHBDMO COCC1(C)CC[NH+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878343235 894207692 /nfs/dbraw/zinc/20/76/92/894207692.db2.gz AKUWAZWBUFCHRY-UHFFFAOYSA-N 1 1 380.832 3.547 20 5 GHBDMO COc1cc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000537175018 894496055 /nfs/dbraw/zinc/49/60/55/894496055.db2.gz NWGVQKWGDPZBTK-MRXNPFEDSA-N 1 1 398.410 3.815 20 5 GHBDMO C[N@@H+](CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])Cc1ccccc1 ZINC000537210108 894562256 /nfs/dbraw/zinc/56/22/56/894562256.db2.gz JSISNLDWMBHJNH-UHFFFAOYSA-N 1 1 390.443 3.519 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537212187 894566476 /nfs/dbraw/zinc/56/64/76/894566476.db2.gz OTWYFQRJOXCTOD-IXDOHACOSA-N 1 1 396.491 3.753 20 5 GHBDMO C[C@@H]1CC2(C[N@H+]1Cc1nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CCOCC2 ZINC000878770507 894593017 /nfs/dbraw/zinc/59/30/17/894593017.db2.gz YRNSEZQTEIUATO-GFCCVEGCSA-N 1 1 392.843 3.689 20 5 GHBDMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000565726542 895835556 /nfs/dbraw/zinc/83/55/56/895835556.db2.gz ZZPFPRYYFVVZGJ-WIYYLYMNSA-N 1 1 397.500 3.691 20 5 GHBDMO C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778533072 896272599 /nfs/dbraw/zinc/27/25/99/896272599.db2.gz YQDIKSPRLYCNNF-WBVHZDCISA-N 1 1 384.505 3.792 20 5 GHBDMO COC(=O)c1cc(NCc2cc(C)[nH+]c(N3CCCC3)c2)cc(C)c1[N+](=O)[O-] ZINC000566947432 896727210 /nfs/dbraw/zinc/72/72/10/896727210.db2.gz OMXMNSHNEHXCDJ-UHFFFAOYSA-N 1 1 384.436 3.606 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1ccnn1CC1CCC1 ZINC000883287774 897448932 /nfs/dbraw/zinc/44/89/32/897448932.db2.gz FFSRPPUHRCRPOI-UHFFFAOYSA-N 1 1 379.258 3.644 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000821390763 897859255 /nfs/dbraw/zinc/85/92/55/897859255.db2.gz DTYGUOZYVZSGPD-AWEZNQCLSA-N 1 1 381.904 3.965 20 5 GHBDMO CCC[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001185932029 914210821 /nfs/dbraw/zinc/21/08/21/914210821.db2.gz ZINUUGVCBZKCOX-QGZVFWFLSA-N 1 1 384.436 3.994 20 5 GHBDMO CC[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000569231771 898450196 /nfs/dbraw/zinc/45/01/96/898450196.db2.gz OTUBQCUEEGHIEP-HNNXBMFYSA-N 1 1 383.477 3.700 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000822826885 898656887 /nfs/dbraw/zinc/65/68/87/898656887.db2.gz JJRFOQZMSFTJLT-KRWDZBQOSA-N 1 1 395.228 3.590 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000822826885 898656895 /nfs/dbraw/zinc/65/68/95/898656895.db2.gz JJRFOQZMSFTJLT-KRWDZBQOSA-N 1 1 395.228 3.590 20 5 GHBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289631731 914273445 /nfs/dbraw/zinc/27/34/45/914273445.db2.gz MAOYYTFLMVOLEB-MRXNPFEDSA-N 1 1 388.493 3.599 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)c2C1 ZINC000569584764 898808114 /nfs/dbraw/zinc/80/81/14/898808114.db2.gz HSGLEZNNKPHCEY-UHFFFAOYSA-N 1 1 375.375 3.780 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)c2C1 ZINC000569584764 898808120 /nfs/dbraw/zinc/80/81/20/898808120.db2.gz HSGLEZNNKPHCEY-UHFFFAOYSA-N 1 1 375.375 3.780 20 5 GHBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@](C)(O)c1ccccc1 ZINC000823612667 899132802 /nfs/dbraw/zinc/13/28/02/899132802.db2.gz LRQVTGONHUXOFI-KRWDZBQOSA-N 1 1 379.254 3.697 20 5 GHBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@](C)(O)c1ccccc1 ZINC000823612667 899132806 /nfs/dbraw/zinc/13/28/06/899132806.db2.gz LRQVTGONHUXOFI-KRWDZBQOSA-N 1 1 379.254 3.697 20 5 GHBDMO C[C@H](CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC001137209007 900018736 /nfs/dbraw/zinc/01/87/36/900018736.db2.gz RTDZQXNSOASUGV-OAHLLOKOSA-N 1 1 389.883 3.818 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000843841015 900271816 /nfs/dbraw/zinc/27/18/16/900271816.db2.gz VIPLEMMYGKBVBN-MAUKXSAKSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000843841015 900271829 /nfs/dbraw/zinc/27/18/29/900271829.db2.gz VIPLEMMYGKBVBN-MAUKXSAKSA-N 1 1 391.830 3.871 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000844434333 900853594 /nfs/dbraw/zinc/85/35/94/900853594.db2.gz ABVFEWBQMIBIQK-HNNXBMFYSA-N 1 1 378.322 3.826 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000844434333 900853600 /nfs/dbraw/zinc/85/36/00/900853600.db2.gz ABVFEWBQMIBIQK-HNNXBMFYSA-N 1 1 378.322 3.826 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000158420226 901408466 /nfs/dbraw/zinc/40/84/66/901408466.db2.gz JJEHANRRUPGQJF-LSDHHAIUSA-N 1 1 379.526 3.898 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](Oc4ccccc4)C3)o2)c1 ZINC000575920265 901474397 /nfs/dbraw/zinc/47/43/97/901474397.db2.gz SGAPYJHOCVSCOH-IBGZPJMESA-N 1 1 379.416 3.946 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778951298 902160995 /nfs/dbraw/zinc/16/09/95/902160995.db2.gz JOZXJFKPIQPQJN-ZBFHGGJFSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1ccc([C@H](CCO)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000128791193 902717677 /nfs/dbraw/zinc/71/76/77/902717677.db2.gz FKAHTBZXACBZSI-IBGZPJMESA-N 1 1 399.472 3.940 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000601304321 903555579 /nfs/dbraw/zinc/55/55/79/903555579.db2.gz NLDWWOHKWLJECP-MOPGFXCFSA-N 1 1 384.480 3.747 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136918722 903823764 /nfs/dbraw/zinc/82/37/64/903823764.db2.gz NDYOCSNZBITDNH-INIZCTEOSA-N 1 1 387.867 3.543 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000265460715 903905192 /nfs/dbraw/zinc/90/51/92/903905192.db2.gz NBBMZJBQHPKCRV-UHFFFAOYSA-N 1 1 387.867 3.985 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000578975903 904271499 /nfs/dbraw/zinc/27/14/99/904271499.db2.gz HZOSIUCGABSDJI-LESCRADOSA-N 1 1 395.887 3.592 20 5 GHBDMO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000153079331 904328096 /nfs/dbraw/zinc/32/80/96/904328096.db2.gz LNLDWJZTUFRYQL-OAHLLOKOSA-N 1 1 397.460 3.552 20 5 GHBDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171426076 904577494 /nfs/dbraw/zinc/57/74/94/904577494.db2.gz JORVCSKIQCMSCX-JOCHJYFZSA-N 1 1 397.450 3.720 20 5 GHBDMO COc1cc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CCC2)c([N+](=O)[O-])cc1F ZINC001171521382 904798047 /nfs/dbraw/zinc/79/80/47/904798047.db2.gz GSOLRFZKLJWRQP-HXUWFJFHSA-N 1 1 388.439 3.906 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174860389 905375596 /nfs/dbraw/zinc/37/55/96/905375596.db2.gz WWGAEVAHSYXICC-INIZCTEOSA-N 1 1 382.468 3.602 20 5 GHBDMO Cn1nc(C(F)(F)F)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000801601846 921181241 /nfs/dbraw/zinc/18/12/41/921181241.db2.gz PODSZZUCMMHJAW-UHFFFAOYSA-N 1 1 376.766 3.675 20 5 GHBDMO Cn1nc(C(F)(F)F)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000801601846 921181246 /nfs/dbraw/zinc/18/12/46/921181246.db2.gz PODSZZUCMMHJAW-UHFFFAOYSA-N 1 1 376.766 3.675 20 5 GHBDMO COc1cccc(C2(N)CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)c1 ZINC001172900082 905921755 /nfs/dbraw/zinc/92/17/55/905921755.db2.gz BVXFYQSWKFJORP-FQEVSTJZSA-N 1 1 395.503 3.801 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H]3CN(c4ccccc4)C[C@H]3C1)CC2 ZINC001172911439 906018258 /nfs/dbraw/zinc/01/82/58/906018258.db2.gz BXWVUUBNIFHCKN-RZUBCFFCSA-N 1 1 377.488 3.910 20 5 GHBDMO CC(=O)N1CCCC[C@@]12CCC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172911853 906020784 /nfs/dbraw/zinc/02/07/84/906020784.db2.gz WTQQSZXBBPGFCG-IRLDBZIGSA-N 1 1 385.508 3.709 20 5 GHBDMO C[C@@H]1c2cccn2CC[N@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014877 906092631 /nfs/dbraw/zinc/09/26/31/906092631.db2.gz DDCYAJPCZOUFRH-CYBMUJFWSA-N 1 1 376.407 3.720 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)c1F ZINC001173175944 906251867 /nfs/dbraw/zinc/25/18/67/906251867.db2.gz DTKCJZKOECKDAX-GFCCVEGCSA-N 1 1 386.383 3.513 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(Oc3ccncc3)CC2)c1F ZINC001173180260 906257983 /nfs/dbraw/zinc/25/79/83/906257983.db2.gz JKIZVHDJNBHXDJ-AWEZNQCLSA-N 1 1 389.427 3.612 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCN(c3cccc(C)c3)CC2)c1F ZINC001173181110 906259655 /nfs/dbraw/zinc/25/96/55/906259655.db2.gz BPVDDNVJSUZMGL-INIZCTEOSA-N 1 1 387.455 3.804 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2CC[NH+](C3CCCC3)CC2)c1F ZINC001173184950 906265578 /nfs/dbraw/zinc/26/55/78/906265578.db2.gz SXUUDEOTPQWLEP-AWEZNQCLSA-N 1 1 379.476 3.670 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1F ZINC001173186016 906267535 /nfs/dbraw/zinc/26/75/35/906267535.db2.gz QUUFPOKLXNMOLM-KXBFYZLASA-N 1 1 387.455 3.662 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1F ZINC001173191479 906273564 /nfs/dbraw/zinc/27/35/64/906273564.db2.gz FLYFPLGLGUCWIK-GDBMZVCRSA-N 1 1 386.423 3.878 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001173222725 906301135 /nfs/dbraw/zinc/30/11/35/906301135.db2.gz UVNVNKAEBOIOIM-HHXXYDBFSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001173223494 906303467 /nfs/dbraw/zinc/30/34/67/906303467.db2.gz ANJNWXHOTXATHQ-WMLDXEAASA-N 1 1 375.469 3.515 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 ZINC001173223570 906303552 /nfs/dbraw/zinc/30/35/52/906303552.db2.gz AYRPZNBMFGFXFH-QRWLVFNGSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001173226860 906309122 /nfs/dbraw/zinc/30/91/22/906309122.db2.gz MHWWTJJUNHQJEX-OAHLLOKOSA-N 1 1 394.431 3.546 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001173232810 906319128 /nfs/dbraw/zinc/31/91/28/906319128.db2.gz IAIGGUKOYBLMNM-RMRDIRSESA-N 1 1 389.496 3.761 20 5 GHBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000299394105 921307742 /nfs/dbraw/zinc/30/77/42/921307742.db2.gz AKIWPTQOVGZVKH-OAHLLOKOSA-N 1 1 385.468 3.503 20 5 GHBDMO Cc1cccc(C[C@@]2(C)CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001175034649 907346266 /nfs/dbraw/zinc/34/62/66/907346266.db2.gz AVIFFKQMSWQDDV-JOCHJYFZSA-N 1 1 381.476 3.963 20 5 GHBDMO CC1CC[NH+](CC[C@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001175353020 907515223 /nfs/dbraw/zinc/51/52/23/907515223.db2.gz SQGYSENCTYEJAP-GOSISDBHSA-N 1 1 388.512 3.510 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001175924032 907830001 /nfs/dbraw/zinc/83/00/01/907830001.db2.gz CFZALVWQNXMFEK-OAHLLOKOSA-N 1 1 385.468 3.650 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC001175924032 907830020 /nfs/dbraw/zinc/83/00/20/907830020.db2.gz CFZALVWQNXMFEK-OAHLLOKOSA-N 1 1 385.468 3.650 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC001175924032 907830044 /nfs/dbraw/zinc/83/00/44/907830044.db2.gz CFZALVWQNXMFEK-OAHLLOKOSA-N 1 1 385.468 3.650 20 5 GHBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN(C)C(=O)OC(C)(C)C ZINC001176323614 908036551 /nfs/dbraw/zinc/03/65/51/908036551.db2.gz YZLCHQNYYOUNNZ-UHFFFAOYSA-N 1 1 381.473 3.551 20 5 GHBDMO O=C(CC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000773649884 908544881 /nfs/dbraw/zinc/54/48/81/908544881.db2.gz FAOGMNASTXDBCQ-UHFFFAOYSA-N 1 1 386.839 3.761 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193776748 908702859 /nfs/dbraw/zinc/70/28/59/908702859.db2.gz IYRMVWAPZCBONX-RTWAWAEBSA-N 1 1 395.503 3.802 20 5 GHBDMO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269681603 910333464 /nfs/dbraw/zinc/33/34/64/910333464.db2.gz MEYDVCRKGKWYML-WBMJQRKESA-N 1 1 397.397 3.703 20 5 GHBDMO C[N@@H+](CCC(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2)Cc1ccccc1 ZINC001181140706 910568554 /nfs/dbraw/zinc/56/85/54/910568554.db2.gz OULNAOGGMHMIPU-UHFFFAOYSA-N 1 1 385.467 3.851 20 5 GHBDMO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273859591 911063440 /nfs/dbraw/zinc/06/34/40/911063440.db2.gz IRJHOTWYCRJQBK-GJZGRUSLSA-N 1 1 391.487 3.781 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000718014035 911799946 /nfs/dbraw/zinc/79/99/46/911799946.db2.gz AYZJXVSDAOVSCH-LJQANCHMSA-N 1 1 387.867 3.889 20 5 GHBDMO CCC[N@H+]1CC[C@@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000774518543 911889583 /nfs/dbraw/zinc/88/95/83/911889583.db2.gz UWMKPXMBZGHRAE-JTQLQIEISA-N 1 1 376.335 3.666 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](O)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000294021074 916532121 /nfs/dbraw/zinc/53/21/21/916532121.db2.gz NNFAZIZVSAFHMP-LJQANCHMSA-N 1 1 386.448 3.529 20 5 GHBDMO CCOC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001190529848 917386111 /nfs/dbraw/zinc/38/61/11/917386111.db2.gz WNUVVVRTCSKCRC-UHFFFAOYSA-N 1 1 399.447 3.621 20 5 GHBDMO CCOC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001190529848 917386114 /nfs/dbraw/zinc/38/61/14/917386114.db2.gz WNUVVVRTCSKCRC-UHFFFAOYSA-N 1 1 399.447 3.621 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC001190541323 917398558 /nfs/dbraw/zinc/39/85/58/917398558.db2.gz OYYISLNWGAKMTK-IRXDYDNUSA-N 1 1 390.867 3.695 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001191155953 917789467 /nfs/dbraw/zinc/78/94/67/917789467.db2.gz JIEWXYVWTFGQKI-FUHWJXTLSA-N 1 1 379.460 3.670 20 5 GHBDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1C ZINC001191145137 917812075 /nfs/dbraw/zinc/81/20/75/917812075.db2.gz MBBBWHYGXGAMSA-HXUWFJFHSA-N 1 1 379.460 3.938 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1(CC)CC ZINC001191821403 918244647 /nfs/dbraw/zinc/24/46/47/918244647.db2.gz MNMWQAJRUULVQA-ZWKOTPCHSA-N 1 1 378.469 3.797 20 5 GHBDMO CC(C)CNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC001191832231 918255257 /nfs/dbraw/zinc/25/52/57/918255257.db2.gz VHZDIGYRYGBLES-UHFFFAOYSA-N 1 1 398.301 3.532 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCOc1ccccc1 ZINC000016560932 919439630 /nfs/dbraw/zinc/43/96/30/919439630.db2.gz IMFZUVNGCHIEHU-CYBMUJFWSA-N 1 1 377.828 3.586 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCOc1ccccc1 ZINC000016560932 919439636 /nfs/dbraw/zinc/43/96/36/919439636.db2.gz IMFZUVNGCHIEHU-CYBMUJFWSA-N 1 1 377.828 3.586 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117342110 919537835 /nfs/dbraw/zinc/53/78/35/919537835.db2.gz WJUFHCNJGQZWJB-NVXWUHKLSA-N 1 1 381.432 3.771 20 5 GHBDMO COc1cccc([C@H]2CCC[N@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000117334566 919537847 /nfs/dbraw/zinc/53/78/47/919537847.db2.gz JRHSADJDTBYNKC-GOSISDBHSA-N 1 1 397.431 3.739 20 5 GHBDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000117340433 919537917 /nfs/dbraw/zinc/53/79/17/919537917.db2.gz ZPHXHDAWCNHPBI-GFCCVEGCSA-N 1 1 390.465 3.659 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801524067 921094289 /nfs/dbraw/zinc/09/42/89/921094289.db2.gz NYHWTTBSRPLYIP-UKRRQHHQSA-N 1 1 381.448 3.859 20 5 GHBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000803535949 923074507 /nfs/dbraw/zinc/07/45/07/923074507.db2.gz FPWWFNPOKYOPSH-OAQYLSRUSA-N 1 1 399.878 3.986 20 5 GHBDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000373230833 925953806 /nfs/dbraw/zinc/95/38/06/925953806.db2.gz RFJAZYKNVYQSQK-HNNXBMFYSA-N 1 1 383.477 3.831 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000411128591 926101626 /nfs/dbraw/zinc/10/16/26/926101626.db2.gz AQOZRXFEUFRJCW-UHFFFAOYSA-N 1 1 387.411 3.736 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000411175837 926169581 /nfs/dbraw/zinc/16/95/81/926169581.db2.gz FBZMUPVVDPYUEH-SFHVURJKSA-N 1 1 387.411 3.908 20 5 GHBDMO O=C(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1cc(Cl)ccc1Cl ZINC000411480861 926443157 /nfs/dbraw/zinc/44/31/57/926443157.db2.gz PGMCKQAJGQLZAA-UHFFFAOYSA-N 1 1 395.246 3.684 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000374224868 926912739 /nfs/dbraw/zinc/91/27/39/926912739.db2.gz YKXHPJWKFBZDOK-RDTXWAMCSA-N 1 1 380.404 3.859 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000374224868 926912744 /nfs/dbraw/zinc/91/27/44/926912744.db2.gz YKXHPJWKFBZDOK-RDTXWAMCSA-N 1 1 380.404 3.859 20 5 GHBDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749951936 927368892 /nfs/dbraw/zinc/36/88/92/927368892.db2.gz RCJKSRWICQTWEY-SFHVURJKSA-N 1 1 381.436 3.841 20 5 GHBDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749951936 927368901 /nfs/dbraw/zinc/36/89/01/927368901.db2.gz RCJKSRWICQTWEY-SFHVURJKSA-N 1 1 381.436 3.841 20 5 GHBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000751061700 928006937 /nfs/dbraw/zinc/00/69/37/928006937.db2.gz DMBQKICTDZNSKE-SFHVURJKSA-N 1 1 391.830 3.954 20 5 GHBDMO CC[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000466928652 928513650 /nfs/dbraw/zinc/51/36/50/928513650.db2.gz GWRMCJCXHDMOIA-KRWDZBQOSA-N 1 1 383.448 3.769 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752072230 928585465 /nfs/dbraw/zinc/58/54/65/928585465.db2.gz ZPGKOWOJRQPFQO-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752072230 928585472 /nfs/dbraw/zinc/58/54/72/928585472.db2.gz ZPGKOWOJRQPFQO-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000752082533 928598833 /nfs/dbraw/zinc/59/88/33/928598833.db2.gz CGWYJVREDSYZAZ-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000752082533 928598839 /nfs/dbraw/zinc/59/88/39/928598839.db2.gz CGWYJVREDSYZAZ-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000467239538 928865859 /nfs/dbraw/zinc/86/58/59/928865859.db2.gz XARHFJLLZMZOPA-OAQYLSRUSA-N 1 1 383.448 3.639 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000544188148 928909271 /nfs/dbraw/zinc/90/92/71/928909271.db2.gz RFPMJBZETNCWIO-NVXWUHKLSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000544188148 928909293 /nfs/dbraw/zinc/90/92/93/928909293.db2.gz RFPMJBZETNCWIO-NVXWUHKLSA-N 1 1 383.448 3.728 20 5 GHBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752793579 929024165 /nfs/dbraw/zinc/02/41/65/929024165.db2.gz OZABFDQGFDZWPH-AEFFLSMTSA-N 1 1 380.448 3.672 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CCNC(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753655082 929464348 /nfs/dbraw/zinc/46/43/48/929464348.db2.gz QGZQEWJJSOPTLR-GOSISDBHSA-N 1 1 389.452 3.954 20 5 GHBDMO CC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757108189 929648087 /nfs/dbraw/zinc/64/80/87/929648087.db2.gz DSEGFMLHNKFQGN-HZPDHXFCSA-N 1 1 393.484 3.599 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000757737720 929786594 /nfs/dbraw/zinc/78/65/94/929786594.db2.gz DFQZJJBYBUKASB-MRXNPFEDSA-N 1 1 377.485 3.982 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000469433997 929883482 /nfs/dbraw/zinc/88/34/82/929883482.db2.gz KYUAIBGISIWKKJ-LJQANCHMSA-N 1 1 384.480 3.551 20 5 GHBDMO CCCn1cc[nH+]c1CCCN(C)c1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000758153553 929949141 /nfs/dbraw/zinc/94/91/41/929949141.db2.gz CJZZOYFSZQIVAG-UHFFFAOYSA-N 1 1 394.859 3.710 20 5 GHBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000758264456 929993846 /nfs/dbraw/zinc/99/38/46/929993846.db2.gz HNBTUGNKANYHDT-PXNSSMCTSA-N 1 1 384.411 3.893 20 5 GHBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000758268954 929996337 /nfs/dbraw/zinc/99/63/37/929996337.db2.gz VAOIUOJAUGVYCG-YLJYHZDGSA-N 1 1 384.411 3.893 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000758781882 930165453 /nfs/dbraw/zinc/16/54/53/930165453.db2.gz YGGWFQWAMZZSLV-GJZGRUSLSA-N 1 1 393.484 3.729 20 5 GHBDMO CCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546904777 930520910 /nfs/dbraw/zinc/52/09/10/930520910.db2.gz DGCANQKQFDVMDN-GOSISDBHSA-N 1 1 392.459 3.813 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000780765828 930594120 /nfs/dbraw/zinc/59/41/20/930594120.db2.gz HDOZMJDWNPEHDY-UXHICEINSA-N 1 1 392.459 3.521 20 5 GHBDMO C[NH+]1CCN(c2ccc(Nc3ncnc4ccc([N+](=O)[O-])cc43)cc2Cl)CC1 ZINC000782137016 931098216 /nfs/dbraw/zinc/09/82/16/931098216.db2.gz ZDUZFOPICYYILF-UHFFFAOYSA-N 1 1 398.854 3.687 20 5 GHBDMO CC(C)Oc1cccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000782522818 931255843 /nfs/dbraw/zinc/25/58/43/931255843.db2.gz JRALXIMGLLLOAO-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 ZINC000782957602 931375152 /nfs/dbraw/zinc/37/51/52/931375152.db2.gz XQKOQXPETSLVAW-APWZRJJASA-N 1 1 377.448 3.997 20 5 GHBDMO CCN1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(C(C)=O)c3)cc2)CC1 ZINC000557495038 931470542 /nfs/dbraw/zinc/47/05/42/931470542.db2.gz RMLQCKVWGGZGIU-UHFFFAOYSA-N 1 1 396.491 3.547 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000783566028 931583928 /nfs/dbraw/zinc/58/39/28/931583928.db2.gz CRCLLEAZDIKRFB-DOMZBBRYSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000783566028 931583934 /nfs/dbraw/zinc/58/39/34/931583934.db2.gz CRCLLEAZDIKRFB-DOMZBBRYSA-N 1 1 383.876 3.983 20 5 GHBDMO COCC[N@H+](C)CCCC1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783571415 931585745 /nfs/dbraw/zinc/58/57/45/931585745.db2.gz CWOLFWVEJXBPHA-UHFFFAOYSA-N 1 1 383.920 3.819 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783571415 931585747 /nfs/dbraw/zinc/58/57/47/931585747.db2.gz CWOLFWVEJXBPHA-UHFFFAOYSA-N 1 1 383.920 3.819 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000557674130 931605425 /nfs/dbraw/zinc/60/54/25/931605425.db2.gz VXFBQWMSWHEEDR-UHFFFAOYSA-N 1 1 398.463 3.607 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c21 ZINC000557737237 931641186 /nfs/dbraw/zinc/64/11/86/931641186.db2.gz ZGGUVXDSBRRATD-JOCHJYFZSA-N 1 1 389.459 3.640 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC000557837173 931714486 /nfs/dbraw/zinc/71/44/86/931714486.db2.gz GDIDOUGKFUFISV-GFCCVEGCSA-N 1 1 385.386 3.560 20 5 GHBDMO C/C(=C\C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784055602 931768275 /nfs/dbraw/zinc/76/82/75/931768275.db2.gz KKASNZKTNWJSRY-WORNYLJVSA-N 1 1 393.487 3.979 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000784409863 931884634 /nfs/dbraw/zinc/88/46/34/931884634.db2.gz LYXHQNGBVPBNPQ-UHFFFAOYSA-N 1 1 388.443 3.628 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000784409863 931884642 /nfs/dbraw/zinc/88/46/42/931884642.db2.gz LYXHQNGBVPBNPQ-UHFFFAOYSA-N 1 1 388.443 3.628 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCN1c1cccc(Cl)c1 ZINC000784576710 931945601 /nfs/dbraw/zinc/94/56/01/931945601.db2.gz ACOQDEUYHOGQEY-MRXNPFEDSA-N 1 1 380.231 3.797 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000797518379 932317641 /nfs/dbraw/zinc/31/76/41/932317641.db2.gz DPJOPVUJXZSZNL-LSDHHAIUSA-N 1 1 393.484 3.729 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798529774 932693386 /nfs/dbraw/zinc/69/33/86/932693386.db2.gz WMCVBGBUPRXNGH-QFIPXVFZSA-N 1 1 397.475 3.636 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000799359061 932966162 /nfs/dbraw/zinc/96/61/62/932966162.db2.gz PQPVCJRBXLKWTQ-INIZCTEOSA-N 1 1 393.484 3.600 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000799361223 932972003 /nfs/dbraw/zinc/97/20/03/932972003.db2.gz XJPMOTIXJDYDER-AWEZNQCLSA-N 1 1 381.448 3.861 20 5 GHBDMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccccc1[N+](=O)[O-] ZINC001115967516 933262394 /nfs/dbraw/zinc/26/23/94/933262394.db2.gz PLVCLIJQJVUXJN-UHFFFAOYSA-N 1 1 379.420 3.709 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000560535810 933320248 /nfs/dbraw/zinc/32/02/48/933320248.db2.gz PGGWYSQLDBKADS-HXUWFJFHSA-N 1 1 375.432 3.731 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560542738 933330337 /nfs/dbraw/zinc/33/03/37/933330337.db2.gz GHFNCWKLJVWSRL-UXHICEINSA-N 1 1 385.512 3.518 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC001116375071 933517099 /nfs/dbraw/zinc/51/70/99/933517099.db2.gz STEGFTJOQHCALZ-SJORKVTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC001116375071 933517108 /nfs/dbraw/zinc/51/71/08/933517108.db2.gz STEGFTJOQHCALZ-SJORKVTESA-N 1 1 377.803 3.563 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001116551202 933629513 /nfs/dbraw/zinc/62/95/13/933629513.db2.gz KMNPIXVJFJOOCG-KNKQGSTJSA-N 1 1 382.460 3.736 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000929816114 933649035 /nfs/dbraw/zinc/64/90/35/933649035.db2.gz RWTNQYUZTOKFEW-INIZCTEOSA-N 1 1 399.285 3.517 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+](C2CCC2)C1 ZINC000561534410 934247850 /nfs/dbraw/zinc/24/78/50/934247850.db2.gz MLJZBCTVWXUPRZ-GFCCVEGCSA-N 1 1 385.386 3.560 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931167435 934410500 /nfs/dbraw/zinc/41/05/00/934410500.db2.gz AKQNSVBUWKNMPQ-OALUTQOASA-N 1 1 397.500 3.886 20 5 GHBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001626111803 1014923531 /nfs/dbraw/zinc/92/35/31/1014923531.db2.gz SLWYPJJHZGMZJH-INIZCTEOSA-N 1 1 383.448 3.849 20 5 GHBDMO C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000469054616 1016382789 /nfs/dbraw/zinc/38/27/89/1016382789.db2.gz SKZLJITWPUGSIS-NSHDSACASA-N 1 1 387.346 3.604 20 5 GHBDMO COc1ccc(OC)c(C[N@@H+](CCO)C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000470179897 1016745016 /nfs/dbraw/zinc/74/50/16/1016745016.db2.gz FCUZOKQFOPVGIG-LFIBNONCSA-N 1 1 386.448 3.510 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cc2cccnn2c1 ZINC001154586982 1032201159 /nfs/dbraw/zinc/20/11/59/1032201159.db2.gz RCEUCJNMZFKCQL-UHFFFAOYSA-N 1 1 397.438 3.591 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC001227298516 1032360965 /nfs/dbraw/zinc/36/09/65/1032360965.db2.gz RTPBZAGRJYZBEE-OAHLLOKOSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC001227298516 1032360978 /nfs/dbraw/zinc/36/09/78/1032360978.db2.gz RTPBZAGRJYZBEE-OAHLLOKOSA-N 1 1 390.823 3.688 20 5 GHBDMO Cc1ccc(N2CCC[C@@H](Oc3ncnc4cc(Cl)c([N+](=O)[O-])cc43)C2)[nH+]c1 ZINC001227366931 1032391407 /nfs/dbraw/zinc/39/14/07/1032391407.db2.gz QMXOATSQFFKDPI-CYBMUJFWSA-N 1 1 399.838 3.943 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC001227466568 1032431170 /nfs/dbraw/zinc/43/11/70/1032431170.db2.gz NQHSSHKUZGRSCA-AWEZNQCLSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC001227466568 1032431171 /nfs/dbraw/zinc/43/11/71/1032431171.db2.gz NQHSSHKUZGRSCA-AWEZNQCLSA-N 1 1 377.784 3.810 20 5 GHBDMO CC1(Nc2ncc([N+](=O)[O-])cc2N)C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001155306443 1032495049 /nfs/dbraw/zinc/49/50/49/1032495049.db2.gz ZSQOMKSKMVYJPQ-UHFFFAOYSA-N 1 1 389.459 3.848 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)[nH+]c1C ZINC001155610275 1032598429 /nfs/dbraw/zinc/59/84/29/1032598429.db2.gz RTGDXJAOJOZDNP-UHFFFAOYSA-N 1 1 383.452 3.529 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286569 1017953691 /nfs/dbraw/zinc/95/36/91/1017953691.db2.gz UPZWYBJSHFMUQS-UHFFFAOYSA-N 1 1 388.295 3.588 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2cncc(Br)c2)cc1 ZINC000932253505 1018160977 /nfs/dbraw/zinc/16/09/77/1018160977.db2.gz ZUEMXQHQASTWGF-DLBZAZTESA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2cncc(Br)c2)cc1 ZINC000932253505 1018160991 /nfs/dbraw/zinc/16/09/91/1018160991.db2.gz ZUEMXQHQASTWGF-DLBZAZTESA-N 1 1 392.253 3.623 20 5 GHBDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(Cl)cc1 ZINC000562858323 1018715679 /nfs/dbraw/zinc/71/56/79/1018715679.db2.gz RZUACPPZWQKSBY-SFHVURJKSA-N 1 1 390.871 3.765 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC001228257788 1032869052 /nfs/dbraw/zinc/86/90/52/1032869052.db2.gz MQRJRBFQYQJYKP-IBGZPJMESA-N 1 1 376.840 3.918 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000576903634 1020082962 /nfs/dbraw/zinc/08/29/62/1020082962.db2.gz DHBIWZTYHMJMPN-OKILXGFUSA-N 1 1 385.386 3.537 20 5 GHBDMO C[N@H+](Cc1cccc(I)c1)Cc1ccccc1[N+](=O)[O-] ZINC001204472000 1032909936 /nfs/dbraw/zinc/90/99/36/1032909936.db2.gz PQXNZQVEDNWJJK-UHFFFAOYSA-N 1 1 382.201 3.831 20 5 GHBDMO C[N@@H+](Cc1cccc(I)c1)Cc1ccccc1[N+](=O)[O-] ZINC001204472000 1032909940 /nfs/dbraw/zinc/90/99/40/1032909940.db2.gz PQXNZQVEDNWJJK-UHFFFAOYSA-N 1 1 382.201 3.831 20 5 GHBDMO COc1cccc(Cl)c1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000191634599 1020795157 /nfs/dbraw/zinc/79/51/57/1020795157.db2.gz FJIPMZUTXRSVKW-UHFFFAOYSA-N 1 1 386.839 3.947 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000801526763 1021406275 /nfs/dbraw/zinc/40/62/75/1021406275.db2.gz WUIJLJUPASOPKI-UHFFFAOYSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000802654012 1021514418 /nfs/dbraw/zinc/51/44/18/1021514418.db2.gz DQMPEBIAJVDZRQ-JCOOBLOPSA-N 1 1 375.469 3.845 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000754093856 1022476938 /nfs/dbraw/zinc/47/69/38/1022476938.db2.gz FZSRZEUOWMWAIH-MAUBAPBLSA-N 1 1 379.460 3.561 20 5 GHBDMO COC(=O)c1cc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc([N+](=O)[O-])c1 ZINC001228772138 1033089161 /nfs/dbraw/zinc/08/91/61/1033089161.db2.gz VEJIVRBWFCNHFI-KRWDZBQOSA-N 1 1 390.823 3.688 20 5 GHBDMO CCc1ccc(-c2noc([C@H](C)[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000755162543 1023102924 /nfs/dbraw/zinc/10/29/24/1023102924.db2.gz JWZAJKPMPIRXRF-SCLBCKFNSA-N 1 1 382.420 3.591 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228805512 1033106878 /nfs/dbraw/zinc/10/68/78/1033106878.db2.gz KPTPQFYKPFNLCZ-GJZGRUSLSA-N 1 1 395.415 3.701 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2ccc([N+](=O)[O-])c(Cl)n2)O1 ZINC001228937745 1033187881 /nfs/dbraw/zinc/18/78/81/1033187881.db2.gz IHEIRPFCZAOBGL-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2ccc([N+](=O)[O-])c(Cl)n2)O1 ZINC001228937745 1033187888 /nfs/dbraw/zinc/18/78/88/1033187888.db2.gz IHEIRPFCZAOBGL-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO CC[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001138122019 1024162137 /nfs/dbraw/zinc/16/21/37/1024162137.db2.gz RRTPQAPGHIGOQR-HXUWFJFHSA-N 1 1 399.466 3.790 20 5 GHBDMO CCc1cc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162258508 1025692431 /nfs/dbraw/zinc/69/24/31/1025692431.db2.gz LGGAICFXJQSYEX-HZPDHXFCSA-N 1 1 383.496 3.568 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001139361225 1026234833 /nfs/dbraw/zinc/23/48/33/1026234833.db2.gz HZZDIPLHUZNDJN-SFHVURJKSA-N 1 1 386.496 3.696 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccncc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001163643825 1026265152 /nfs/dbraw/zinc/26/51/52/1026265152.db2.gz XIOMQCJLLPNREY-UHFFFAOYSA-N 1 1 382.386 3.967 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001163681248 1026282155 /nfs/dbraw/zinc/28/21/55/1026282155.db2.gz MSTIFDMHJVEILU-LJQANCHMSA-N 1 1 376.460 3.896 20 5 GHBDMO O=[N+]([O-])c1cccc2cnc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)nc21 ZINC001164492590 1026529146 /nfs/dbraw/zinc/52/91/46/1026529146.db2.gz NFJFRFCYPXNWLJ-GUDVDZBRSA-N 1 1 389.459 3.861 20 5 GHBDMO Cc1cc(Cl)nc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1[N+](=O)[O-] ZINC001165151631 1026636287 /nfs/dbraw/zinc/63/62/87/1026636287.db2.gz WZGNRJWIPYNSOR-UHFFFAOYSA-N 1 1 386.883 3.979 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1c1ccccc1 ZINC001461150967 1069415059 /nfs/dbraw/zinc/41/50/59/1069415059.db2.gz AXBBJSWKXXHZIQ-LJQANCHMSA-N 1 1 377.400 3.750 20 5 GHBDMO Cc1cc(OCc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)cc1[N+](=O)[O-] ZINC001166155482 1026930716 /nfs/dbraw/zinc/93/07/16/1026930716.db2.gz OHJUWCSLFOINAZ-UHFFFAOYSA-N 1 1 376.840 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)c2c1 ZINC000840160334 1027295483 /nfs/dbraw/zinc/29/54/83/1027295483.db2.gz BWYJYTTXXRWJHT-MRXNPFEDSA-N 1 1 398.385 3.583 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)c2c1 ZINC000840160334 1027295496 /nfs/dbraw/zinc/29/54/96/1027295496.db2.gz BWYJYTTXXRWJHT-MRXNPFEDSA-N 1 1 398.385 3.583 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000840221301 1027356156 /nfs/dbraw/zinc/35/61/56/1027356156.db2.gz YPLUVSOEDDTQMU-AWEZNQCLSA-N 1 1 375.450 3.750 20 5 GHBDMO CC(C)Oc1cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001142239743 1028451026 /nfs/dbraw/zinc/45/10/26/1028451026.db2.gz KHPLWYUKWZLCPA-OAHLLOKOSA-N 1 1 377.485 3.622 20 5 GHBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001142556587 1029056006 /nfs/dbraw/zinc/05/60/06/1029056006.db2.gz PEZPOZDSQKXAPU-GOSISDBHSA-N 1 1 399.466 3.695 20 5 GHBDMO COc1ccc(CSCC(=O)OC[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000842836887 1029625141 /nfs/dbraw/zinc/62/51/41/1029625141.db2.gz SMQURTDKCDCHQH-INIZCTEOSA-N 1 1 396.509 3.500 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1Br ZINC000843127003 1029817431 /nfs/dbraw/zinc/81/74/31/1029817431.db2.gz NVOORRHTPRWNJW-GJZGRUSLSA-N 1 1 382.302 3.569 20 5 GHBDMO O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(C[NH2+]C[C@H]4CCCO4)n3)cc2)c1 ZINC000843211620 1029854642 /nfs/dbraw/zinc/85/46/42/1029854642.db2.gz XGYYEQKKBRNTTL-GOSISDBHSA-N 1 1 396.403 3.706 20 5 GHBDMO O=C1CN(Cc2ccc3ccc4cccc5ccc2c3c45)CC2(CC[NH2+]CC2)N1 ZINC001222515659 1030176316 /nfs/dbraw/zinc/17/63/16/1030176316.db2.gz WWPRKZBDHDKQCE-UHFFFAOYSA-N 1 1 383.495 3.638 20 5 GHBDMO O=C1CN(Cc2c3ccccc3c(Cl)c3ccccc32)CC2(CC[NH2+]CC2)N1 ZINC001222515208 1030176703 /nfs/dbraw/zinc/17/67/03/1030176703.db2.gz NRGPTNWFTSRMSN-UHFFFAOYSA-N 1 1 393.918 3.700 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001223403865 1030558622 /nfs/dbraw/zinc/55/86/22/1030558622.db2.gz YHMVMGUNJARLJZ-LPHOPBHVSA-N 1 1 382.464 3.620 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@@H]1C[NH2+]C[C@H]1C ZINC001218036097 1030735510 /nfs/dbraw/zinc/73/55/10/1030735510.db2.gz OPFPKJPQTCQMOT-ZUOKHONESA-N 1 1 395.455 3.853 20 5 GHBDMO CCOC(=O)c1ccc(CO[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001223960993 1030830343 /nfs/dbraw/zinc/83/03/43/1030830343.db2.gz PUMDMJJIVPQXSQ-KKSFZXQISA-N 1 1 398.459 3.809 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)C1CCC(C[NH3+])CC1 ZINC001219005548 1031208000 /nfs/dbraw/zinc/20/80/00/1031208000.db2.gz QKRZDLLSAWFENF-UHFFFAOYSA-N 1 1 392.503 3.660 20 5 GHBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001152816143 1031366759 /nfs/dbraw/zinc/36/67/59/1031366759.db2.gz OVDYIYOEAXGJMV-LSDHHAIUSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001152816143 1031366781 /nfs/dbraw/zinc/36/67/81/1031366781.db2.gz OVDYIYOEAXGJMV-LSDHHAIUSA-N 1 1 385.489 3.911 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001225450409 1031422316 /nfs/dbraw/zinc/42/23/16/1031422316.db2.gz GXOJAJQHLBZXIJ-IZZQQSIFSA-N 1 1 396.443 3.956 20 5 GHBDMO N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777520 1031613455 /nfs/dbraw/zinc/61/34/55/1031613455.db2.gz KPGHGQVONLEYSW-QHCPKHFHSA-N 1 1 387.527 3.511 20 5 GHBDMO C[NH+]1CCN(c2cc(NC(=O)c3c4ccccc4cc4ccccc43)ncn2)CC1 ZINC001153489478 1031613899 /nfs/dbraw/zinc/61/38/99/1031613899.db2.gz NQUDAVPMSPZVDH-UHFFFAOYSA-N 1 1 397.482 3.787 20 5 GHBDMO CCCC[N@@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC001220231316 1031848159 /nfs/dbraw/zinc/84/81/59/1031848159.db2.gz BQBSTJVBFCBBIV-UHFFFAOYSA-N 1 1 376.379 3.775 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@H+](Cc3ccccc3)CC(C)(C)O2)c1 ZINC001226444520 1031963095 /nfs/dbraw/zinc/96/30/95/1031963095.db2.gz AROCNQFNDLEFQH-GOSISDBHSA-N 1 1 386.448 3.662 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@@H+](Cc3ccccc3)CC(C)(C)O2)c1 ZINC001226444520 1031963099 /nfs/dbraw/zinc/96/30/99/1031963099.db2.gz AROCNQFNDLEFQH-GOSISDBHSA-N 1 1 386.448 3.662 20 5 GHBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C ZINC001205475443 1033430689 /nfs/dbraw/zinc/43/06/89/1033430689.db2.gz NKZUIOJJOUFIOB-CYBMUJFWSA-N 1 1 387.427 3.666 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229400237 1033458222 /nfs/dbraw/zinc/45/82/22/1033458222.db2.gz SPZFTTSBXPDMGH-QRWLVFNGSA-N 1 1 378.432 3.827 20 5 GHBDMO CCOC(=O)CN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC001157416162 1033576741 /nfs/dbraw/zinc/57/67/41/1033576741.db2.gz ABEPRPOZUSPTNK-LPQFERQCSA-N 1 1 398.463 3.653 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ncc(Br)cc3O)C2)cc1 ZINC001205882187 1033618721 /nfs/dbraw/zinc/61/87/21/1033618721.db2.gz JVIAIVVUKPRWSI-CYBMUJFWSA-N 1 1 392.253 3.838 20 5 GHBDMO CN(CC[N@@H+](C)Cc1ccccc1)c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001157554279 1033656554 /nfs/dbraw/zinc/65/65/54/1033656554.db2.gz OIBMFRMTNGSHDJ-UHFFFAOYSA-N 1 1 385.855 3.760 20 5 GHBDMO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2CCc3[nH+]ccn3C2)c1Br ZINC001229940174 1033803923 /nfs/dbraw/zinc/80/39/23/1033803923.db2.gz DXGPBSYXHKJVEZ-VIFPVBQESA-N 1 1 386.633 3.909 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001206721226 1033958006 /nfs/dbraw/zinc/95/80/06/1033958006.db2.gz SSZKNEXIEJFLHU-NIAZTZROSA-N 1 1 393.459 3.935 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001206721226 1033958009 /nfs/dbraw/zinc/95/80/09/1033958009.db2.gz SSZKNEXIEJFLHU-NIAZTZROSA-N 1 1 393.459 3.935 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001207103676 1034095931 /nfs/dbraw/zinc/09/59/31/1034095931.db2.gz ZCGNBBMUYYJRQC-RDJZCZTQSA-N 1 1 380.448 3.594 20 5 GHBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001231198538 1034458742 /nfs/dbraw/zinc/45/87/42/1034458742.db2.gz QKKWZHGBPPPABU-LAQFHYBYSA-N 1 1 377.441 3.910 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001231235565 1034476663 /nfs/dbraw/zinc/47/66/63/1034476663.db2.gz CCRJXXBPRGVXSH-NSHDSACASA-N 1 1 377.319 3.773 20 5 GHBDMO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232222249 1035170420 /nfs/dbraw/zinc/17/04/20/1035170420.db2.gz QMWFLMKRNZHRGB-JXFKEZNVSA-N 1 1 398.466 3.723 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001248209899 1035641550 /nfs/dbraw/zinc/64/15/50/1035641550.db2.gz CUBVQDVOQWNQOW-AWEZNQCLSA-N 1 1 378.310 3.906 20 5 GHBDMO Cc1cc(C(F)(F)F)c(-c2noc([C@@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC001248211816 1035643794 /nfs/dbraw/zinc/64/37/94/1035643794.db2.gz JIZBDZGHDJDLSJ-AWEZNQCLSA-N 1 1 393.325 3.610 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CCC[NH2+][C@@H]2c2ccccc2)c1F ZINC001246332419 1037300651 /nfs/dbraw/zinc/30/06/51/1037300651.db2.gz FTOPYZJQEKYHPC-XXHMAFKTSA-N 1 1 387.455 3.756 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246669856 1037537086 /nfs/dbraw/zinc/53/70/86/1037537086.db2.gz ACECSDBWEAJCAP-JMUQELJHSA-N 1 1 379.504 3.779 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC001247666419 1038303251 /nfs/dbraw/zinc/30/32/51/1038303251.db2.gz NQGHHUHCHAGPKV-ZDUSSCGKSA-N 1 1 394.309 3.786 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2cc(Cl)cnc2[N+](=O)[O-])O1 ZINC001233717028 1039561564 /nfs/dbraw/zinc/56/15/64/1039561564.db2.gz TZEDWSBYTMNPOW-MRXNPFEDSA-N 1 1 391.855 3.702 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2cc(Cl)cnc2[N+](=O)[O-])O1 ZINC001233717028 1039561580 /nfs/dbraw/zinc/56/15/80/1039561580.db2.gz TZEDWSBYTMNPOW-MRXNPFEDSA-N 1 1 391.855 3.702 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3ccc([N+](=O)[O-])c(F)c3F)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001233768084 1039602555 /nfs/dbraw/zinc/60/25/55/1039602555.db2.gz CHBQOQZGSWDTRB-FDQGKXFDSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3ccc([N+](=O)[O-])c(F)c3F)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001233768084 1039602563 /nfs/dbraw/zinc/60/25/63/1039602563.db2.gz CHBQOQZGSWDTRB-FDQGKXFDSA-N 1 1 388.370 3.626 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cc1[N+](=O)[O-] ZINC001234048239 1039784414 /nfs/dbraw/zinc/78/44/14/1039784414.db2.gz HHHVBJQNKYBSFK-QRWLVFNGSA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)[C@H](CC1CCCCC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254468983 1040255510 /nfs/dbraw/zinc/25/55/10/1040255510.db2.gz RJFVMYDLVGUOKH-FQEVSTJZSA-N 1 1 389.496 3.665 20 5 GHBDMO CCOC(=O)[C@@]1(C)CCCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254473893 1040259772 /nfs/dbraw/zinc/25/97/72/1040259772.db2.gz JDLNRLLUMLTNNM-NRFANRHFSA-N 1 1 389.496 3.619 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](OCc4ccccc4)C3)CC2)cc1 ZINC001254478981 1040266816 /nfs/dbraw/zinc/26/68/16/1040266816.db2.gz NGQPMXIWNNNGRJ-JOCHJYFZSA-N 1 1 381.476 3.855 20 5 GHBDMO COc1cccc(C[N@@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1OC ZINC001254481149 1040268734 /nfs/dbraw/zinc/26/87/34/1040268734.db2.gz UWNHQDRWKGYTMU-UHFFFAOYSA-N 1 1 385.464 3.713 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](Oc4cccc(F)c4)C3)CC2)cc1 ZINC001254481861 1040270641 /nfs/dbraw/zinc/27/06/41/1040270641.db2.gz FBECTTNMXZNICC-NRFANRHFSA-N 1 1 385.439 3.856 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001254552249 1040320790 /nfs/dbraw/zinc/32/07/90/1040320790.db2.gz JKKXXOQDNSINGO-KKSFZXQISA-N 1 1 389.496 3.859 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001254564746 1040340756 /nfs/dbraw/zinc/34/07/56/1040340756.db2.gz MTYGLWQRLRBRAE-BVYCBKJFSA-N 1 1 379.504 3.980 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(c3ccccc3C(F)(F)F)COC1)C2 ZINC001254575767 1040352222 /nfs/dbraw/zinc/35/22/22/1040352222.db2.gz TTWREEIQDREIPO-CQSZACIVSA-N 1 1 378.350 3.596 20 5 GHBDMO Cc1cc(N2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c2ccccc2[nH+]1 ZINC001254595435 1040368828 /nfs/dbraw/zinc/36/88/28/1040368828.db2.gz XFXZKUCDBYUERE-HXUWFJFHSA-N 1 1 388.471 3.741 20 5 GHBDMO C[N@@H+](Cc1cccc(F)c1)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609519 1040381498 /nfs/dbraw/zinc/38/14/98/1040381498.db2.gz WQNUQYDQEHPPEQ-QFIPXVFZSA-N 1 1 383.467 3.798 20 5 GHBDMO CN(Cc1cccc(F)c1)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609519 1040381505 /nfs/dbraw/zinc/38/15/05/1040381505.db2.gz WQNUQYDQEHPPEQ-QFIPXVFZSA-N 1 1 383.467 3.798 20 5 GHBDMO CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612810 1040384376 /nfs/dbraw/zinc/38/43/76/1040384376.db2.gz ZEMQBJOJCOYCIP-KXBFYZLASA-N 1 1 389.496 3.641 20 5 GHBDMO Cc1cccc(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1[N+](=O)[O-] ZINC001255445863 1041047753 /nfs/dbraw/zinc/04/77/53/1041047753.db2.gz PENVWUWDIURSSP-SFHVURJKSA-N 1 1 378.432 3.867 20 5 GHBDMO O=[N+]([O-])c1ccc(F)c(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1F ZINC001255467818 1041069911 /nfs/dbraw/zinc/06/99/11/1041069911.db2.gz BABGHKXWCGXVBK-ZDUSSCGKSA-N 1 1 386.358 3.913 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255486359 1041084085 /nfs/dbraw/zinc/08/40/85/1041084085.db2.gz IEZDHTSZUMXROD-OAHLLOKOSA-N 1 1 395.375 3.543 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1F ZINC001255494098 1041088673 /nfs/dbraw/zinc/08/86/73/1041088673.db2.gz CIOCSUJKGYGNFM-CYBMUJFWSA-N 1 1 386.358 3.913 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCOC[C@@H]3c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001256093726 1041523854 /nfs/dbraw/zinc/52/38/54/1041523854.db2.gz PMCCETKNWCAXRQ-OAQYLSRUSA-N 1 1 397.475 3.646 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC001297009478 1045423613 /nfs/dbraw/zinc/42/36/13/1045423613.db2.gz RKSZXRKNVBLUPC-SFHVURJKSA-N 1 1 385.489 3.666 20 5 GHBDMO Cc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1[N+](=O)[O-] ZINC001302607843 1047002876 /nfs/dbraw/zinc/00/28/76/1047002876.db2.gz AQIPNWWKBDVTIO-HXUWFJFHSA-N 1 1 393.487 3.822 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000588016413 1047052577 /nfs/dbraw/zinc/05/25/77/1047052577.db2.gz UEQQMHJGTJYRLM-BHYGNILZSA-N 1 1 395.488 3.922 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001265497168 1047619755 /nfs/dbraw/zinc/61/97/55/1047619755.db2.gz HOWFHNPDFRMUEM-SFHVURJKSA-N 1 1 383.448 3.513 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC001265498234 1047620247 /nfs/dbraw/zinc/62/02/47/1047620247.db2.gz SXHPMFDNLDXOMX-GOSISDBHSA-N 1 1 389.402 3.782 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001266224084 1047718793 /nfs/dbraw/zinc/71/87/93/1047718793.db2.gz BYTGUIBFWCYZRG-LSDHHAIUSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001266224084 1047718796 /nfs/dbraw/zinc/71/87/96/1047718796.db2.gz BYTGUIBFWCYZRG-LSDHHAIUSA-N 1 1 387.867 3.983 20 5 GHBDMO CCC1CCC([N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C2CC2)CC1 ZINC001307419176 1049258796 /nfs/dbraw/zinc/25/87/96/1049258796.db2.gz UGSCSVCUNIAVRQ-UHFFFAOYSA-N 1 1 375.469 3.975 20 5 GHBDMO CC(C)(C)C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001307463665 1049300021 /nfs/dbraw/zinc/30/00/21/1049300021.db2.gz SMAIOJYTWHTMCP-UHFFFAOYSA-N 1 1 390.505 3.917 20 5 GHBDMO CC(C)(C)C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001307463665 1049300033 /nfs/dbraw/zinc/30/00/33/1049300033.db2.gz SMAIOJYTWHTMCP-UHFFFAOYSA-N 1 1 390.505 3.917 20 5 GHBDMO COC(=O)/C=C/c1ccc(OCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001307537712 1049382353 /nfs/dbraw/zinc/38/23/53/1049382353.db2.gz IRCIZMQEQCTNRT-KPKJPENVSA-N 1 1 396.443 3.824 20 5 GHBDMO O=c1[nH]c2ccccc2n1CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307778459 1049586755 /nfs/dbraw/zinc/58/67/55/1049586755.db2.gz DENXBCYJEMVTBA-KRWDZBQOSA-N 1 1 380.448 3.920 20 5 GHBDMO C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OC(C)(C)C ZINC001307860330 1049644089 /nfs/dbraw/zinc/64/40/89/1049644089.db2.gz NZECUPTYOFRZSI-QAPCUYQASA-N 1 1 378.469 3.806 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OC(C)(C)C ZINC001307860330 1049644091 /nfs/dbraw/zinc/64/40/91/1049644091.db2.gz NZECUPTYOFRZSI-QAPCUYQASA-N 1 1 378.469 3.806 20 5 GHBDMO CCOc1cc(C[N@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)ccc1[N+](=O)[O-] ZINC001307884918 1049665362 /nfs/dbraw/zinc/66/53/62/1049665362.db2.gz VTGIOPUHABPKOG-UHFFFAOYSA-N 1 1 380.347 3.947 20 5 GHBDMO CCOc1cc(C[N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)ccc1[N+](=O)[O-] ZINC001307884918 1049665371 /nfs/dbraw/zinc/66/53/71/1049665371.db2.gz VTGIOPUHABPKOG-UHFFFAOYSA-N 1 1 380.347 3.947 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCC[C@@H](CF)C1 ZINC001308034419 1049785789 /nfs/dbraw/zinc/78/57/89/1049785789.db2.gz JWJBLNWXLKMRFS-OLZOCXBDSA-N 1 1 392.456 3.727 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCC[C@@H](CF)C1 ZINC001308034419 1049785793 /nfs/dbraw/zinc/78/57/93/1049785793.db2.gz JWJBLNWXLKMRFS-OLZOCXBDSA-N 1 1 392.456 3.727 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC001308075732 1049821681 /nfs/dbraw/zinc/82/16/81/1049821681.db2.gz PHCNVHBVDHXWTB-FQEVSTJZSA-N 1 1 390.484 3.603 20 5 GHBDMO C[N@H+]1C[C@@]23CN(Cc4cc([N+](=O)[O-])ccc4Br)C[C@]2(C1)CCCC3 ZINC001308170259 1049898609 /nfs/dbraw/zinc/89/86/09/1049898609.db2.gz KBYYXBQJGBGCDO-HDICACEKSA-N 1 1 394.313 3.665 20 5 GHBDMO O=C1OCCN1[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001328265122 1050455915 /nfs/dbraw/zinc/45/59/15/1050455915.db2.gz ZSUFFECYGGFVDE-ZDUSSCGKSA-N 1 1 391.811 3.535 20 5 GHBDMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001330436275 1051009340 /nfs/dbraw/zinc/00/93/40/1051009340.db2.gz HYXFMRUOTGWJPS-YQQQUEKLSA-N 1 1 379.460 3.910 20 5 GHBDMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC001333018921 1051633783 /nfs/dbraw/zinc/63/37/83/1051633783.db2.gz JCJDSXHNVMYSPK-KRWDZBQOSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC001333018921 1051633799 /nfs/dbraw/zinc/63/37/99/1051633799.db2.gz JCJDSXHNVMYSPK-KRWDZBQOSA-N 1 1 380.404 3.991 20 5 GHBDMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001312818535 1052881475 /nfs/dbraw/zinc/88/14/75/1052881475.db2.gz YVYLWAYHOVPWOB-QINHECLXSA-N 1 1 382.464 3.618 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC001318792818 1054876498 /nfs/dbraw/zinc/87/64/98/1054876498.db2.gz PRHVHDNDVGTFEN-NWDGAFQWSA-N 1 1 376.425 3.921 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001345410473 1055027478 /nfs/dbraw/zinc/02/74/78/1055027478.db2.gz GZVIPSZFQRCIOK-HXUWFJFHSA-N 1 1 380.448 3.614 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001319375348 1055211967 /nfs/dbraw/zinc/21/19/67/1055211967.db2.gz SMGOLSMFLCSQKY-HTAPYJJXSA-N 1 1 395.459 3.943 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001319375348 1055211976 /nfs/dbraw/zinc/21/19/76/1055211976.db2.gz SMGOLSMFLCSQKY-HTAPYJJXSA-N 1 1 395.459 3.943 20 5 GHBDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC001319707559 1055414842 /nfs/dbraw/zinc/41/48/42/1055414842.db2.gz SLBMONRFRLTXRC-UHFFFAOYSA-N 1 1 376.409 3.637 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC001320550842 1055876093 /nfs/dbraw/zinc/87/60/93/1055876093.db2.gz NSQBXUXZCNOKKD-AWEZNQCLSA-N 1 1 389.427 3.634 20 5 GHBDMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001326467407 1057489929 /nfs/dbraw/zinc/48/99/29/1057489929.db2.gz PNIGZCCCSIBUHG-YQQQUEKLSA-N 1 1 395.459 3.616 20 5 GHBDMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001326467407 1057489932 /nfs/dbraw/zinc/48/99/32/1057489932.db2.gz PNIGZCCCSIBUHG-YQQQUEKLSA-N 1 1 395.459 3.616 20 5 GHBDMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001326467407 1057489934 /nfs/dbraw/zinc/48/99/34/1057489934.db2.gz PNIGZCCCSIBUHG-YQQQUEKLSA-N 1 1 395.459 3.616 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001443754857 1059191697 /nfs/dbraw/zinc/19/16/97/1059191697.db2.gz DEBMVYXABLHEPE-AWEZNQCLSA-N 1 1 385.917 3.721 20 5 GHBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001445053754 1059449734 /nfs/dbraw/zinc/44/97/34/1059449734.db2.gz ZAFCQDVUFOLHRS-NRFANRHFSA-N 1 1 399.466 3.837 20 5 GHBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001445053754 1059449740 /nfs/dbraw/zinc/44/97/40/1059449740.db2.gz ZAFCQDVUFOLHRS-NRFANRHFSA-N 1 1 399.466 3.837 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC001447434389 1059964633 /nfs/dbraw/zinc/96/46/33/1059964633.db2.gz SNEYCYSPASJGTF-SFHVURJKSA-N 1 1 382.464 3.941 20 5 GHBDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001451524385 1060789690 /nfs/dbraw/zinc/78/96/90/1060789690.db2.gz GGFMVYXTMGBVTH-IAQYHMDHSA-N 1 1 391.365 3.576 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001436281667 1063359074 /nfs/dbraw/zinc/35/90/74/1063359074.db2.gz VNDHOAQBPQGJCH-MRXNPFEDSA-N 1 1 381.476 3.806 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001457999775 1063497365 /nfs/dbraw/zinc/49/73/65/1063497365.db2.gz KEVVXELHCPAXKG-HZPDHXFCSA-N 1 1 385.439 3.777 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001457999775 1063497377 /nfs/dbraw/zinc/49/73/77/1063497377.db2.gz KEVVXELHCPAXKG-HZPDHXFCSA-N 1 1 385.439 3.777 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2CCc3sccc3C2)cc1C ZINC001458134689 1063591795 /nfs/dbraw/zinc/59/17/95/1063591795.db2.gz GJELQFFADSOKEM-UHFFFAOYSA-N 1 1 389.477 3.612 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2CCc3sccc3C2)cc1C ZINC001458134689 1063591812 /nfs/dbraw/zinc/59/18/12/1063591812.db2.gz GJELQFFADSOKEM-UHFFFAOYSA-N 1 1 389.477 3.612 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001458340231 1063754334 /nfs/dbraw/zinc/75/43/34/1063754334.db2.gz JEWUKDZIUQIWSB-CQSZACIVSA-N 1 1 399.417 3.916 20 5 GHBDMO CC[N@@H+](CCCNC(=O)CSc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001437412709 1063851605 /nfs/dbraw/zinc/85/16/05/1063851605.db2.gz SAIOZXWXDQBVEL-UHFFFAOYSA-N 1 1 379.526 3.848 20 5 GHBDMO COc1ccc(NC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001349891421 1063936025 /nfs/dbraw/zinc/93/60/25/1063936025.db2.gz ILEBBMYGDNEPMY-OAQYLSRUSA-N 1 1 398.463 3.637 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001459315592 1064059414 /nfs/dbraw/zinc/05/94/14/1064059414.db2.gz QDHROOXVEONDKU-GUSDMMFLSA-N 1 1 379.460 3.635 20 5 GHBDMO CCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC001459359719 1064075495 /nfs/dbraw/zinc/07/54/95/1064075495.db2.gz ZBWSVLVREQYXAU-WOJBJXKFSA-N 1 1 384.476 3.604 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)o1 ZINC001460035936 1064363967 /nfs/dbraw/zinc/36/39/67/1064363967.db2.gz BGGYKAMKVFXJEO-QGPMSJSTSA-N 1 1 386.452 3.550 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1C ZINC001463560143 1064460275 /nfs/dbraw/zinc/46/02/75/1064460275.db2.gz IIYWQAUXGZHKPL-QGZVFWFLSA-N 1 1 375.856 3.898 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001464155017 1064869133 /nfs/dbraw/zinc/86/91/33/1064869133.db2.gz IRSLDWNHBGWUHN-MRXNPFEDSA-N 1 1 399.466 3.825 20 5 GHBDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2)C1 ZINC001353555784 1066036493 /nfs/dbraw/zinc/03/64/93/1066036493.db2.gz KHHZLPLROKGCBY-IBGZPJMESA-N 1 1 379.460 3.603 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001466376546 1066121424 /nfs/dbraw/zinc/12/14/24/1066121424.db2.gz OHVRLLBYUVJJQN-YJBOKZPZSA-N 1 1 398.463 3.778 20 5 GHBDMO Cc1cc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc([N+](=O)[O-])c1 ZINC001467530622 1067345086 /nfs/dbraw/zinc/34/50/86/1067345086.db2.gz SEDCVXKHQBSIHW-XLIONFOSSA-N 1 1 380.448 3.641 20 5 GHBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001358470665 1067536757 /nfs/dbraw/zinc/53/67/57/1067536757.db2.gz OUTHUABGRTXHHI-IBGZPJMESA-N 1 1 381.476 3.948 20 5 GHBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001470251953 1068647336 /nfs/dbraw/zinc/64/73/36/1068647336.db2.gz ZKVRMBPYYXMYPZ-HNNXBMFYSA-N 1 1 395.887 3.540 20 5 GHBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001460269341 1068897430 /nfs/dbraw/zinc/89/74/30/1068897430.db2.gz JZWDPMAUKFGPIE-HNNXBMFYSA-N 1 1 376.254 3.959 20 5 GHBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001460269341 1068897436 /nfs/dbraw/zinc/89/74/36/1068897436.db2.gz JZWDPMAUKFGPIE-HNNXBMFYSA-N 1 1 376.254 3.959 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001460273457 1068901253 /nfs/dbraw/zinc/90/12/53/1068901253.db2.gz XNPFTRWFCPCNPX-OAHLLOKOSA-N 1 1 393.285 3.569 20 5 GHBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001460779037 1069172446 /nfs/dbraw/zinc/17/24/46/1069172446.db2.gz QOIDIICVYUEXPG-QGZVFWFLSA-N 1 1 379.254 3.831 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H](Cc3nc(C)cs3)C2)c([N+](=O)[O-])cc1F ZINC001460797117 1069185387 /nfs/dbraw/zinc/18/53/87/1069185387.db2.gz XBATUVHRLFLUEU-CYBMUJFWSA-N 1 1 379.457 3.962 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](Cc3nc(C)cs3)C2)c([N+](=O)[O-])cc1F ZINC001460797117 1069185406 /nfs/dbraw/zinc/18/54/06/1069185406.db2.gz XBATUVHRLFLUEU-CYBMUJFWSA-N 1 1 379.457 3.962 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001470674353 1072682636 /nfs/dbraw/zinc/68/26/36/1072682636.db2.gz LWHXPMGIUZYUFC-KDURUIRLSA-N 1 1 377.510 3.511 20 5 GHBDMO CC[N@@H+](CCCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001470713063 1072699003 /nfs/dbraw/zinc/69/90/03/1072699003.db2.gz ABDLCWBCNFYTOO-UHFFFAOYSA-N 1 1 390.528 3.823 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001470780596 1072736765 /nfs/dbraw/zinc/73/67/65/1072736765.db2.gz TWTNYLMFZRDJCL-ZJMJOCHXSA-N 1 1 393.487 3.725 20 5 GHBDMO Cc1cccc(NCCNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[nH+]1 ZINC001472012601 1073304412 /nfs/dbraw/zinc/30/44/12/1073304412.db2.gz IGXHBATXMNGLJL-UHFFFAOYSA-N 1 1 387.198 3.586 20 5 GHBDMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCC[N@H+]1CCc2sccc2C1 ZINC001472669037 1073606863 /nfs/dbraw/zinc/60/68/63/1073606863.db2.gz AFUWTGXAZLIDQX-UHFFFAOYSA-N 1 1 388.880 3.750 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001472821951 1073681684 /nfs/dbraw/zinc/68/16/84/1073681684.db2.gz CLHLMEBMHCIDDL-HRCADAONSA-N 1 1 384.436 3.991 20 5 GHBDMO CC[N@@H+](CCCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C1CCCCC1 ZINC001472825005 1073683690 /nfs/dbraw/zinc/68/36/90/1073683690.db2.gz RAUNCSOQCAKYQG-UHFFFAOYSA-N 1 1 378.473 3.541 20 5 GHBDMO CC(C)[C@H]1CN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])CC[N@H+]1C ZINC001472857359 1073697138 /nfs/dbraw/zinc/69/71/38/1073697138.db2.gz GHLIOWDGYOMHJT-MRXNPFEDSA-N 1 1 393.285 3.682 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC001473144197 1073805654 /nfs/dbraw/zinc/80/56/54/1073805654.db2.gz JHSPFNCOEVRIEG-OAHLLOKOSA-N 1 1 386.233 3.964 20 5 GHBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525794 1074000997 /nfs/dbraw/zinc/00/09/97/1074000997.db2.gz GVCXCIYMXPAZCL-OALUTQOASA-N 1 1 383.448 3.711 20 5 GHBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525794 1074001005 /nfs/dbraw/zinc/00/10/05/1074001005.db2.gz GVCXCIYMXPAZCL-OALUTQOASA-N 1 1 383.448 3.711 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ncc(Br)cn3)C2)c(F)c1 ZINC001473794467 1074145644 /nfs/dbraw/zinc/14/56/44/1074145644.db2.gz PHMKZYCNDLDVDQ-LBPRGKRZSA-N 1 1 395.232 3.666 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ncc(Br)cn3)C2)c(F)c1 ZINC001473794467 1074145649 /nfs/dbraw/zinc/14/56/49/1074145649.db2.gz PHMKZYCNDLDVDQ-LBPRGKRZSA-N 1 1 395.232 3.666 20 5 GHBDMO Cc1c(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC001473988406 1074226907 /nfs/dbraw/zinc/22/69/07/1074226907.db2.gz CZEIIJHJMDTRAM-INIZCTEOSA-N 1 1 386.471 3.645 20 5 GHBDMO CCN(OC)C(=O)C[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001474190099 1074288202 /nfs/dbraw/zinc/28/82/02/1074288202.db2.gz FNUGCBBGRMFPIM-UHFFFAOYSA-N 1 1 389.477 3.554 20 5 GHBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001474337639 1074350572 /nfs/dbraw/zinc/35/05/72/1074350572.db2.gz VVOGZOAISGBIAI-AWEZNQCLSA-N 1 1 385.411 3.671 20 5 GHBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001474337639 1074350582 /nfs/dbraw/zinc/35/05/82/1074350582.db2.gz VVOGZOAISGBIAI-AWEZNQCLSA-N 1 1 385.411 3.671 20 5 GHBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001474337640 1074350966 /nfs/dbraw/zinc/35/09/66/1074350966.db2.gz VVOGZOAISGBIAI-CQSZACIVSA-N 1 1 385.411 3.671 20 5 GHBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001474337640 1074350970 /nfs/dbraw/zinc/35/09/70/1074350970.db2.gz VVOGZOAISGBIAI-CQSZACIVSA-N 1 1 385.411 3.671 20 5 GHBDMO O=C(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCc2ccccc21 ZINC001474689400 1074517124 /nfs/dbraw/zinc/51/71/24/1074517124.db2.gz RXMQXYRYJMOSCG-UHFFFAOYSA-N 1 1 380.231 3.581 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001476151407 1075096143 /nfs/dbraw/zinc/09/61/43/1075096143.db2.gz XZQYWIHNSLKIJP-VBKZILBWSA-N 1 1 396.447 3.991 20 5 GHBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001164924954 721865269 /nfs/dbraw/zinc/86/52/69/721865269.db2.gz MFXGEDJQEZQZLH-QZTJIDSGSA-N 1 1 395.938 3.651 20 5 GHBDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001164924954 721865270 /nfs/dbraw/zinc/86/52/70/721865270.db2.gz MFXGEDJQEZQZLH-QZTJIDSGSA-N 1 1 395.938 3.651 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001267591165 837501551 /nfs/dbraw/zinc/50/15/51/837501551.db2.gz MCTNGJPOZVMRRN-LPHOPBHVSA-N 1 1 397.475 3.632 20 5 GHBDMO CN(C[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000178014399 837560318 /nfs/dbraw/zinc/56/03/18/837560318.db2.gz NOBKJCFVVKCJQJ-AWEZNQCLSA-N 1 1 383.876 3.937 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000178014399 837560323 /nfs/dbraw/zinc/56/03/23/837560323.db2.gz NOBKJCFVVKCJQJ-AWEZNQCLSA-N 1 1 383.876 3.937 20 5 GHBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000180822651 837574819 /nfs/dbraw/zinc/57/48/19/837574819.db2.gz ZDWACWJVHOGZOB-CQSZACIVSA-N 1 1 391.855 3.808 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000176578942 837682968 /nfs/dbraw/zinc/68/29/68/837682968.db2.gz BPORYZMDEWONKN-AEFFLSMTSA-N 1 1 399.516 3.856 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000173476500 837716149 /nfs/dbraw/zinc/71/61/49/837716149.db2.gz UJPIMRVAEZLAAK-HXUWFJFHSA-N 1 1 382.464 3.745 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000173476500 837716155 /nfs/dbraw/zinc/71/61/55/837716155.db2.gz UJPIMRVAEZLAAK-HXUWFJFHSA-N 1 1 382.464 3.745 20 5 GHBDMO CCCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000557584460 834392379 /nfs/dbraw/zinc/39/23/79/834392379.db2.gz CVPKGKXEHLXJGL-CYBMUJFWSA-N 1 1 391.497 3.777 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000175265574 834413382 /nfs/dbraw/zinc/41/33/82/834413382.db2.gz LYRBRUJTBDQUTM-CRAIPNDOSA-N 1 1 388.493 3.539 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000163221397 834671977 /nfs/dbraw/zinc/67/19/77/834671977.db2.gz LXAGHSLAJASVDF-SJCJKPOMSA-N 1 1 378.860 3.729 20 5 GHBDMO Cc1ccc2c(c1)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000583592142 834709648 /nfs/dbraw/zinc/70/96/48/834709648.db2.gz UNUNVDPIARARTO-UHFFFAOYSA-N 1 1 378.432 3.698 20 5 GHBDMO Cc1ccc2c(c1)C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000583592142 834709654 /nfs/dbraw/zinc/70/96/54/834709654.db2.gz UNUNVDPIARARTO-UHFFFAOYSA-N 1 1 378.432 3.698 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000510090850 835121704 /nfs/dbraw/zinc/12/17/04/835121704.db2.gz YVSJLLOLJMYLHG-PXNSSMCTSA-N 1 1 381.476 3.554 20 5 GHBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCc1ccccc1Br)CC2 ZINC000583839069 835123502 /nfs/dbraw/zinc/12/35/02/835123502.db2.gz RYSDVWMQUVUEDF-UHFFFAOYSA-N 1 1 376.254 3.743 20 5 GHBDMO COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612073314 835457414 /nfs/dbraw/zinc/45/74/14/835457414.db2.gz LAHJPRZCIRLNBZ-AEFFLSMTSA-N 1 1 386.448 3.570 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c2c(c1)COCO2 ZINC000179032415 835461336 /nfs/dbraw/zinc/46/13/36/835461336.db2.gz SDIDORGAXSKLNA-SFHVURJKSA-N 1 1 390.823 3.768 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c2c(c1)COCO2 ZINC000179032415 835461338 /nfs/dbraw/zinc/46/13/38/835461338.db2.gz SDIDORGAXSKLNA-SFHVURJKSA-N 1 1 390.823 3.768 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000612093801 835469171 /nfs/dbraw/zinc/46/91/71/835469171.db2.gz PNWYDGYAFIWJJR-QZTJIDSGSA-N 1 1 395.459 3.695 20 5 GHBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000179343135 835528522 /nfs/dbraw/zinc/52/85/22/835528522.db2.gz YFWGKXLFLUAMML-KRWDZBQOSA-N 1 1 383.448 3.593 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000278627192 835593313 /nfs/dbraw/zinc/59/33/13/835593313.db2.gz KZBKNNBDXDOXIR-UHFFFAOYSA-N 1 1 389.839 3.564 20 5 GHBDMO CC[C@@H](O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000134505471 835763989 /nfs/dbraw/zinc/76/39/89/835763989.db2.gz JIAJFQNADFJRNM-LJQANCHMSA-N 1 1 385.464 3.505 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000535615823 835781112 /nfs/dbraw/zinc/78/11/12/835781112.db2.gz GJROJQWZXWQBPV-HOTGVXAUSA-N 1 1 385.464 3.741 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000157742151 835815947 /nfs/dbraw/zinc/81/59/47/835815947.db2.gz NIKLLUIBZJNTJT-HNNXBMFYSA-N 1 1 377.460 3.851 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000134599742 835864470 /nfs/dbraw/zinc/86/44/70/835864470.db2.gz FLCFNRYAGVYCEO-UHFFFAOYSA-N 1 1 386.496 3.589 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccc2ccccc21 ZINC000053017009 835951348 /nfs/dbraw/zinc/95/13/48/835951348.db2.gz APZIXQHPOGHFOM-UHFFFAOYSA-N 1 1 379.416 3.827 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc2ccccc21 ZINC000053017009 835951354 /nfs/dbraw/zinc/95/13/54/835951354.db2.gz APZIXQHPOGHFOM-UHFFFAOYSA-N 1 1 379.416 3.827 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000411134062 836064814 /nfs/dbraw/zinc/06/48/14/836064814.db2.gz NFNUUHHGYRUGJP-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000065867449 836068506 /nfs/dbraw/zinc/06/85/06/836068506.db2.gz SGJVYIXVKATXFG-QGZVFWFLSA-N 1 1 396.491 3.698 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000173693672 836251334 /nfs/dbraw/zinc/25/13/34/836251334.db2.gz AGDDZESHGMWSBC-MRXNPFEDSA-N 1 1 385.464 3.803 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000154990275 836253842 /nfs/dbraw/zinc/25/38/42/836253842.db2.gz PIKFBWAWCGZOTO-SJORKVTESA-N 1 1 396.491 3.870 20 5 GHBDMO CC[N@@H+]1CC[C@@H](CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000120796714 836539501 /nfs/dbraw/zinc/53/95/01/836539501.db2.gz KFZJURZBLJJQTB-IBGZPJMESA-N 1 1 399.491 3.614 20 5 GHBDMO CC[N@H+]1CC[C@@H](CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000120796714 836539514 /nfs/dbraw/zinc/53/95/14/836539514.db2.gz KFZJURZBLJJQTB-IBGZPJMESA-N 1 1 399.491 3.614 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155225692 836599612 /nfs/dbraw/zinc/59/96/12/836599612.db2.gz ZGLHQFMAXMALFW-GFCCVEGCSA-N 1 1 399.289 3.553 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000247123310 836882923 /nfs/dbraw/zinc/88/29/23/836882923.db2.gz YZLMUBNCJPWFHO-QZTJIDSGSA-N 1 1 388.512 3.510 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[N@H+]2C2CC2)c1 ZINC000180065361 837059135 /nfs/dbraw/zinc/05/91/35/837059135.db2.gz PDONVOIERWDZCT-VQTJNVASSA-N 1 1 396.447 3.703 20 5 GHBDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000510255850 837066223 /nfs/dbraw/zinc/06/62/23/837066223.db2.gz SGVFWJIWSGAQNT-RDTXWAMCSA-N 1 1 383.448 3.676 20 5 GHBDMO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000414329323 837175524 /nfs/dbraw/zinc/17/55/24/837175524.db2.gz ASJKQXVZNQIGCE-DZFGPLHGSA-N 1 1 392.459 3.820 20 5 GHBDMO COc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000003539914 837241382 /nfs/dbraw/zinc/24/13/82/837241382.db2.gz HRQWHUSAOPRRJW-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000003539914 837241388 /nfs/dbraw/zinc/24/13/88/837241388.db2.gz HRQWHUSAOPRRJW-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO Cc1cc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(N2CCCC2)[nH+]1 ZINC000580493767 837354774 /nfs/dbraw/zinc/35/47/74/837354774.db2.gz QAYOYYKWFAZFPH-INIZCTEOSA-N 1 1 397.479 3.767 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(OCC4CCCC4)CC3)o2)cc1 ZINC000177480734 837963043 /nfs/dbraw/zinc/96/30/43/837963043.db2.gz AFSHUXROYLNUBV-UHFFFAOYSA-N 1 1 386.452 3.816 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000177527846 837999476 /nfs/dbraw/zinc/99/94/76/837999476.db2.gz CIQLVQBJKWWRRH-QAPCUYQASA-N 1 1 383.448 3.810 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[N@H+]1C1CC1 ZINC000275658461 838245076 /nfs/dbraw/zinc/24/50/76/838245076.db2.gz MLUPLCIJIRJYAD-BXUZGUMPSA-N 1 1 397.425 3.727 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000189308570 838252652 /nfs/dbraw/zinc/25/26/52/838252652.db2.gz UUAVRXNFXDVVCP-HNNXBMFYSA-N 1 1 383.448 3.594 20 5 GHBDMO CC1(C)CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1Cc1ccccc1 ZINC000535695430 844316368 /nfs/dbraw/zinc/31/63/68/844316368.db2.gz ASLPVCYWUWKHAA-UHFFFAOYSA-N 1 1 392.459 3.813 20 5 GHBDMO CN(C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@H]1CCC[N@H+](C)C1 ZINC000275746821 838652910 /nfs/dbraw/zinc/65/29/10/838652910.db2.gz IIUWPIVUTJYBCM-AWEZNQCLSA-N 1 1 385.414 3.538 20 5 GHBDMO CN(C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@H]1CCC[N@@H+](C)C1 ZINC000275746821 838652913 /nfs/dbraw/zinc/65/29/13/838652913.db2.gz IIUWPIVUTJYBCM-AWEZNQCLSA-N 1 1 385.414 3.538 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C2)nc1 ZINC000118865893 838732809 /nfs/dbraw/zinc/73/28/09/838732809.db2.gz YGNZWXAQOAIFNZ-CQSZACIVSA-N 1 1 396.369 3.617 20 5 GHBDMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866062 838734124 /nfs/dbraw/zinc/73/41/24/838734124.db2.gz BTAPAZBQHKGDTG-ZDUSSCGKSA-N 1 1 385.449 3.701 20 5 GHBDMO Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866062 838734134 /nfs/dbraw/zinc/73/41/34/838734134.db2.gz BTAPAZBQHKGDTG-ZDUSSCGKSA-N 1 1 385.449 3.701 20 5 GHBDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866907 838744258 /nfs/dbraw/zinc/74/42/58/838744258.db2.gz AOSRTRFIRWGLDN-CVEARBPZSA-N 1 1 397.479 3.627 20 5 GHBDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866907 838744262 /nfs/dbraw/zinc/74/42/62/838744262.db2.gz AOSRTRFIRWGLDN-CVEARBPZSA-N 1 1 397.479 3.627 20 5 GHBDMO C[C@@H]1C[NH2+]CC[C@@H]1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414946581 839009985 /nfs/dbraw/zinc/00/99/85/839009985.db2.gz UCDDAIRWMBAAEY-IERDGZPVSA-N 1 1 391.475 3.535 20 5 GHBDMO COc1cc(CN[C@H]2CC[NH2+]CC2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414976354 839031459 /nfs/dbraw/zinc/03/14/59/839031459.db2.gz PQLMFLDEGQEYFZ-NRFANRHFSA-N 1 1 399.491 3.660 20 5 GHBDMO O=C([C@H]1CC12CC[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2)N1CCCCC1 ZINC000378398401 839038602 /nfs/dbraw/zinc/03/86/02/839038602.db2.gz FNRODAUGIJBZRA-MRXNPFEDSA-N 1 1 391.899 3.863 20 5 GHBDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000378550568 839321345 /nfs/dbraw/zinc/32/13/45/839321345.db2.gz OUBRYKNHYGHTLE-QGZVFWFLSA-N 1 1 397.479 3.826 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000175806391 839487677 /nfs/dbraw/zinc/48/76/77/839487677.db2.gz NRGBIDNJUYUVHI-DOTOQJQBSA-N 1 1 376.501 3.776 20 5 GHBDMO CCC[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001266608991 839490028 /nfs/dbraw/zinc/49/00/28/839490028.db2.gz WOLMYUPRNGCHFI-FQEVSTJZSA-N 1 1 399.466 3.790 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC[C@H]21 ZINC000275907123 839769344 /nfs/dbraw/zinc/76/93/44/839769344.db2.gz CVXJXLIDENHNRN-HRAATJIYSA-N 1 1 375.472 3.650 20 5 GHBDMO CSc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000262103309 840077568 /nfs/dbraw/zinc/07/75/68/840077568.db2.gz ZLSSPIJPENODMT-MRXNPFEDSA-N 1 1 391.880 3.757 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000109960024 840079095 /nfs/dbraw/zinc/07/90/95/840079095.db2.gz YZHYRPXRJJYWBZ-CVEARBPZSA-N 1 1 383.448 3.653 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000109960024 840079107 /nfs/dbraw/zinc/07/91/07/840079107.db2.gz YZHYRPXRJJYWBZ-CVEARBPZSA-N 1 1 383.448 3.653 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000610160532 840119269 /nfs/dbraw/zinc/11/92/69/840119269.db2.gz VQTWZCGNBLJWBH-GFCCVEGCSA-N 1 1 393.285 3.684 20 5 GHBDMO Cc1cc(C)cc(C2=CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000544129174 840489724 /nfs/dbraw/zinc/48/97/24/840489724.db2.gz VASFPOVKTVEFEY-FQEVSTJZSA-N 1 1 382.460 3.741 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000120265884 840561103 /nfs/dbraw/zinc/56/11/03/840561103.db2.gz MBVFUUPRCQGWJF-CYBMUJFWSA-N 1 1 389.839 3.894 20 5 GHBDMO CCc1ccc([C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000417395181 840813551 /nfs/dbraw/zinc/81/35/51/840813551.db2.gz VXEVBZFWYMJLKG-AUUYWEPGSA-N 1 1 379.407 3.769 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511804827 840816667 /nfs/dbraw/zinc/81/66/67/840816667.db2.gz FUGCPXJQXNXQID-FQEVSTJZSA-N 1 1 381.476 3.934 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000126245823 840843471 /nfs/dbraw/zinc/84/34/71/840843471.db2.gz BWBWPBRHJWXVMR-KRWDZBQOSA-N 1 1 388.512 3.897 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511846068 840939286 /nfs/dbraw/zinc/93/92/86/840939286.db2.gz SSEZSNDJYAURPC-UAFMIMERSA-N 1 1 382.460 3.603 20 5 GHBDMO CC(C)(NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000430563680 841125254 /nfs/dbraw/zinc/12/52/54/841125254.db2.gz WXCQGKVHZWLJQX-GOSISDBHSA-N 1 1 381.476 3.858 20 5 GHBDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)c1 ZINC000023851929 841487660 /nfs/dbraw/zinc/48/76/60/841487660.db2.gz RBTMLDAYFRUGKP-IBGZPJMESA-N 1 1 382.420 3.756 20 5 GHBDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)c1 ZINC000023851929 841487667 /nfs/dbraw/zinc/48/76/67/841487667.db2.gz RBTMLDAYFRUGKP-IBGZPJMESA-N 1 1 382.420 3.756 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2)C1 ZINC000108134754 841538474 /nfs/dbraw/zinc/53/84/74/841538474.db2.gz NAFCCDNSCXKSPY-CQSZACIVSA-N 1 1 393.447 3.955 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000302167902 861227196 /nfs/dbraw/zinc/22/71/96/861227196.db2.gz SIXALJSYTPEMMX-CZUORRHYSA-N 1 1 395.385 3.899 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000566634632 841819562 /nfs/dbraw/zinc/81/95/62/841819562.db2.gz IFTYMHOKFYVVRC-UHFFFAOYSA-N 1 1 381.432 3.721 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133262 841850879 /nfs/dbraw/zinc/85/08/79/841850879.db2.gz UYXOMPVYXUXFHN-XMSQKQJNSA-N 1 1 397.475 3.941 20 5 GHBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302241001 861251561 /nfs/dbraw/zinc/25/15/61/861251561.db2.gz NPVOLRPKTKXMPD-LBPRGKRZSA-N 1 1 375.300 3.587 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(c4cnccn4)CC3)o2)c(Cl)c1 ZINC000157874574 841951028 /nfs/dbraw/zinc/95/10/28/841951028.db2.gz WZXOURFVDOWUIH-UHFFFAOYSA-N 1 1 399.838 3.620 20 5 GHBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000121448794 842081868 /nfs/dbraw/zinc/08/18/68/842081868.db2.gz JVQFEPKPWWEHJH-GOEBONIOSA-N 1 1 399.422 3.910 20 5 GHBDMO CC(C)[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](O)C(F)(F)F ZINC000585726998 842219699 /nfs/dbraw/zinc/21/96/99/842219699.db2.gz RRFMMOWFRNMLHR-KBPBESRZSA-N 1 1 389.399 3.756 20 5 GHBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000432413946 842423464 /nfs/dbraw/zinc/42/34/64/842423464.db2.gz PDKUGWQGHPGHDT-SJORKVTESA-N 1 1 381.542 3.556 20 5 GHBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000432413945 842423600 /nfs/dbraw/zinc/42/36/00/842423600.db2.gz PDKUGWQGHPGHDT-IRXDYDNUSA-N 1 1 381.542 3.556 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000512148495 842650627 /nfs/dbraw/zinc/65/06/27/842650627.db2.gz MQWVVWQDDDTOJB-HDICACEKSA-N 1 1 390.528 3.537 20 5 GHBDMO Cc1c(CC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000610971872 842725918 /nfs/dbraw/zinc/72/59/18/842725918.db2.gz USIFWJGUSPAKEY-KRWDZBQOSA-N 1 1 381.476 3.569 20 5 GHBDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000055898739 861346386 /nfs/dbraw/zinc/34/63/86/861346386.db2.gz SVJICAIWPMPJOQ-UHFFFAOYSA-N 1 1 385.464 3.859 20 5 GHBDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000055898739 861346400 /nfs/dbraw/zinc/34/64/00/861346400.db2.gz SVJICAIWPMPJOQ-UHFFFAOYSA-N 1 1 385.464 3.859 20 5 GHBDMO CC(C)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000481437952 861362697 /nfs/dbraw/zinc/36/26/97/861362697.db2.gz QAUWABSRGCJZLC-PZJWPPBQSA-N 1 1 399.491 3.765 20 5 GHBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430752561 842931633 /nfs/dbraw/zinc/93/16/33/842931633.db2.gz HBRSCNMXVNENML-SECBINFHSA-N 1 1 385.317 3.658 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CN3CCC[N@@H+](CCCc4ccccc4)CC3)nc2c1 ZINC000610581351 843064640 /nfs/dbraw/zinc/06/46/40/843064640.db2.gz HAWZDUZCCBBMLZ-UHFFFAOYSA-N 1 1 394.475 3.877 20 5 GHBDMO COc1cccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]2CCCO2)c1 ZINC000610581007 843083170 /nfs/dbraw/zinc/08/31/70/843083170.db2.gz WQGSUIRIZQHPQL-SFHVURJKSA-N 1 1 397.431 3.926 20 5 GHBDMO COc1cccc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]2CCCO2)c1 ZINC000610581007 843083183 /nfs/dbraw/zinc/08/31/83/843083183.db2.gz WQGSUIRIZQHPQL-SFHVURJKSA-N 1 1 397.431 3.926 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000024672914 843085793 /nfs/dbraw/zinc/08/57/93/843085793.db2.gz XGZIZLOIAHAMPY-HNNXBMFYSA-N 1 1 383.448 3.843 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430910768 843169038 /nfs/dbraw/zinc/16/90/38/843169038.db2.gz XQOFRVZCUGMCDE-DYESRHJHSA-N 1 1 397.475 3.646 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430910768 843169044 /nfs/dbraw/zinc/16/90/44/843169044.db2.gz XQOFRVZCUGMCDE-DYESRHJHSA-N 1 1 397.475 3.646 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000512257881 843246526 /nfs/dbraw/zinc/24/65/26/843246526.db2.gz FZXAPQDJXZIOPJ-MRXNPFEDSA-N 1 1 376.375 3.661 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000512257881 843246537 /nfs/dbraw/zinc/24/65/37/843246537.db2.gz FZXAPQDJXZIOPJ-MRXNPFEDSA-N 1 1 376.375 3.661 20 5 GHBDMO CC(C)N(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843695597 843288182 /nfs/dbraw/zinc/28/81/82/843288182.db2.gz GGGOIVOTBFCBTO-SFHVURJKSA-N 1 1 385.439 3.859 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000128626555 843448078 /nfs/dbraw/zinc/44/80/78/843448078.db2.gz BYTCPASAMBXMSX-HNNXBMFYSA-N 1 1 378.432 3.817 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610676654 843497773 /nfs/dbraw/zinc/49/77/73/843497773.db2.gz QSTWGFTUHSQYJQ-GOSISDBHSA-N 1 1 383.448 3.692 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610676654 843497779 /nfs/dbraw/zinc/49/77/79/843497779.db2.gz QSTWGFTUHSQYJQ-GOSISDBHSA-N 1 1 383.448 3.692 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001266938853 843620792 /nfs/dbraw/zinc/62/07/92/843620792.db2.gz RQTDIQIBJFPSFG-HNNXBMFYSA-N 1 1 388.237 3.508 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000500788773 844010414 /nfs/dbraw/zinc/01/04/14/844010414.db2.gz UXGFFFFESGESDW-INIZCTEOSA-N 1 1 383.448 3.844 20 5 GHBDMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000610831085 844644599 /nfs/dbraw/zinc/64/45/99/844644599.db2.gz ZDDYCGRFMGGTGB-HNNXBMFYSA-N 1 1 397.353 3.529 20 5 GHBDMO CSc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000614444369 844883789 /nfs/dbraw/zinc/88/37/89/844883789.db2.gz WVPDWAYKPFCTOA-QGZVFWFLSA-N 1 1 399.516 3.959 20 5 GHBDMO COc1cccc(C2=CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000512669679 844986650 /nfs/dbraw/zinc/98/66/50/844986650.db2.gz XAPBDKAQWNKDQP-UHFFFAOYSA-N 1 1 382.416 3.759 20 5 GHBDMO COc1cccc(C2=CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000512669679 844986661 /nfs/dbraw/zinc/98/66/61/844986661.db2.gz XAPBDKAQWNKDQP-UHFFFAOYSA-N 1 1 382.416 3.759 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120662492 844991940 /nfs/dbraw/zinc/99/19/40/844991940.db2.gz BITJFYJGCMQROD-UHFFFAOYSA-N 1 1 393.447 3.598 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000599679740 861520314 /nfs/dbraw/zinc/52/03/14/861520314.db2.gz OEJUOBIRKPKJKR-HNNXBMFYSA-N 1 1 387.411 3.561 20 5 GHBDMO COC[C@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC000599683303 861521719 /nfs/dbraw/zinc/52/17/19/861521719.db2.gz QTMCROIEVCNEQL-VBKZILBWSA-N 1 1 380.448 3.996 20 5 GHBDMO COC[C@H](C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC000599683303 861521729 /nfs/dbraw/zinc/52/17/29/861521729.db2.gz QTMCROIEVCNEQL-VBKZILBWSA-N 1 1 380.448 3.996 20 5 GHBDMO CCOc1cc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000513231881 845070319 /nfs/dbraw/zinc/07/03/19/845070319.db2.gz KRQKBZPVOSKIMF-UHFFFAOYSA-N 1 1 377.485 3.607 20 5 GHBDMO CCOc1cc(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000513231881 845070331 /nfs/dbraw/zinc/07/03/31/845070331.db2.gz KRQKBZPVOSKIMF-UHFFFAOYSA-N 1 1 377.485 3.607 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1cccs1 ZINC000131683479 861583210 /nfs/dbraw/zinc/58/32/10/861583210.db2.gz ZOOIEFDPQYEGMX-ORAYPTAESA-N 1 1 398.488 3.951 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCCCC2 ZINC001167540022 846108194 /nfs/dbraw/zinc/10/81/94/846108194.db2.gz UICFAZBVYMRYPU-MOPGFXCFSA-N 1 1 390.480 3.941 20 5 GHBDMO C/C(=C\C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785112100 846121736 /nfs/dbraw/zinc/12/17/36/846121736.db2.gz JTIUCRFRIXRAJT-BMRADRMJSA-N 1 1 397.450 3.872 20 5 GHBDMO C/C(=C\C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785112100 846121741 /nfs/dbraw/zinc/12/17/41/846121741.db2.gz JTIUCRFRIXRAJT-BMRADRMJSA-N 1 1 397.450 3.872 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000511059303 846150875 /nfs/dbraw/zinc/15/08/75/846150875.db2.gz LLQNFHLRWBDKGC-UHFFFAOYSA-N 1 1 381.476 3.895 20 5 GHBDMO Cc1ccc([C@@H](NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000511060728 846158945 /nfs/dbraw/zinc/15/89/45/846158945.db2.gz VKGITIGGWSCPGS-JOCHJYFZSA-N 1 1 381.476 3.645 20 5 GHBDMO Cc1ccc([C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000511060728 846158946 /nfs/dbraw/zinc/15/89/46/846158946.db2.gz VKGITIGGWSCPGS-JOCHJYFZSA-N 1 1 381.476 3.645 20 5 GHBDMO COc1cccc(CCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000513662722 846229945 /nfs/dbraw/zinc/22/99/45/846229945.db2.gz YZKRNWQVVZUDPU-FQEVSTJZSA-N 1 1 380.448 3.649 20 5 GHBDMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000134972755 846403965 /nfs/dbraw/zinc/40/39/65/846403965.db2.gz YZPUDYJUHOCYQS-CYBMUJFWSA-N 1 1 382.869 3.509 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000551599362 846450767 /nfs/dbraw/zinc/45/07/67/846450767.db2.gz IGJVUPORZCUBOV-LJQANCHMSA-N 1 1 395.503 3.853 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000421755369 846550623 /nfs/dbraw/zinc/55/06/23/846550623.db2.gz FZKJUMNOGLZYHA-MRXNPFEDSA-N 1 1 387.505 3.915 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000421762259 846557284 /nfs/dbraw/zinc/55/72/84/846557284.db2.gz MCQQHKJLMMEHFS-LJQANCHMSA-N 1 1 381.476 3.506 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000501027453 846562263 /nfs/dbraw/zinc/56/22/63/846562263.db2.gz WJYGOKBSTNZOJW-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000501027453 846562275 /nfs/dbraw/zinc/56/22/75/846562275.db2.gz WJYGOKBSTNZOJW-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4ncccc34)c2)CCO1 ZINC000413082563 846567703 /nfs/dbraw/zinc/56/77/03/846567703.db2.gz ZMQADXCDRZJMJD-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4ncccc34)c2)CCO1 ZINC000413082563 846567713 /nfs/dbraw/zinc/56/77/13/846567713.db2.gz ZMQADXCDRZJMJD-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cn2cc[nH+]c12 ZINC000502883620 846595466 /nfs/dbraw/zinc/59/54/66/846595466.db2.gz SNSRQCKTJVXXBC-UHFFFAOYSA-N 1 1 389.209 3.874 20 5 GHBDMO COc1cc(C)c([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000263735245 846677645 /nfs/dbraw/zinc/67/76/45/846677645.db2.gz ZAHZDVGYKBYGQU-ZDUSSCGKSA-N 1 1 388.420 3.638 20 5 GHBDMO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511095673 846747841 /nfs/dbraw/zinc/74/78/41/846747841.db2.gz LNWMRCKJOSZMMK-HNNXBMFYSA-N 1 1 385.489 3.597 20 5 GHBDMO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511095673 846747853 /nfs/dbraw/zinc/74/78/53/846747853.db2.gz LNWMRCKJOSZMMK-HNNXBMFYSA-N 1 1 385.489 3.597 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000511098228 846865903 /nfs/dbraw/zinc/86/59/03/846865903.db2.gz IMXLVBSQYBSPTJ-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000511098228 846865910 /nfs/dbraw/zinc/86/59/10/846865910.db2.gz IMXLVBSQYBSPTJ-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413218354 846947530 /nfs/dbraw/zinc/94/75/30/846947530.db2.gz HUIKNSVXDXCITD-UHFFFAOYSA-N 1 1 386.496 3.718 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413237625 847005725 /nfs/dbraw/zinc/00/57/25/847005725.db2.gz LGEZVQWYRVSDPK-PXNSSMCTSA-N 1 1 377.448 3.667 20 5 GHBDMO C[C@H](O)C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513717286 847013055 /nfs/dbraw/zinc/01/30/55/847013055.db2.gz NTVFIBFXJQAGEK-SCWSEQNSSA-N 1 1 394.475 3.562 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511107748 847022482 /nfs/dbraw/zinc/02/24/82/847022482.db2.gz ORZIRKARZIQLRL-LBPRGKRZSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511107748 847022487 /nfs/dbraw/zinc/02/24/87/847022487.db2.gz ORZIRKARZIQLRL-LBPRGKRZSA-N 1 1 379.819 3.889 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413245506 847035624 /nfs/dbraw/zinc/03/56/24/847035624.db2.gz SEGYFUXRGSQZDK-KKSFZXQISA-N 1 1 377.448 3.667 20 5 GHBDMO C[C@H](NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000511118569 847159824 /nfs/dbraw/zinc/15/98/24/847159824.db2.gz ABXPUVNXUHFWLR-AWEZNQCLSA-N 1 1 375.856 3.600 20 5 GHBDMO C[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000511118569 847159829 /nfs/dbraw/zinc/15/98/29/847159829.db2.gz ABXPUVNXUHFWLR-AWEZNQCLSA-N 1 1 375.856 3.600 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000511125283 847245691 /nfs/dbraw/zinc/24/56/91/847245691.db2.gz VLDNLJBYXYIUCQ-KRWDZBQOSA-N 1 1 382.382 3.692 20 5 GHBDMO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1Br ZINC000501840506 847272984 /nfs/dbraw/zinc/27/29/84/847272984.db2.gz DOYSNMYAVURBLL-UHFFFAOYSA-N 1 1 379.258 3.699 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)c2C1 ZINC000127914790 847645201 /nfs/dbraw/zinc/64/52/01/847645201.db2.gz AICXHYDULBEVLG-UHFFFAOYSA-N 1 1 378.432 3.983 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)c2C1 ZINC000127914790 847645210 /nfs/dbraw/zinc/64/52/10/847645210.db2.gz AICXHYDULBEVLG-UHFFFAOYSA-N 1 1 378.432 3.983 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(N4CCc5ccccc54)CC3)nc2c1 ZINC000503414901 847679880 /nfs/dbraw/zinc/67/98/80/847679880.db2.gz GNJFFEWUHVDJHT-UHFFFAOYSA-N 1 1 378.432 3.763 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[NH+](Cc4ccsc4)CC3)c2c1 ZINC000016880064 847706923 /nfs/dbraw/zinc/70/69/23/847706923.db2.gz DOMRSAXPDVZPCF-UHFFFAOYSA-N 1 1 390.490 3.709 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCC[C@@H]3OCc3ccccc3)n2)c1 ZINC000503527429 847758299 /nfs/dbraw/zinc/75/82/99/847758299.db2.gz YVWCXKNGBSJRAN-OALUTQOASA-N 1 1 394.431 3.872 20 5 GHBDMO O=[N+]([O-])c1cccnc1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413625393 847873319 /nfs/dbraw/zinc/87/33/19/847873319.db2.gz ZEVXXWIPQCHTLJ-UHFFFAOYSA-N 1 1 391.269 3.829 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611704879 848039068 /nfs/dbraw/zinc/03/90/68/848039068.db2.gz CZNAWHBUHXKGAK-INIZCTEOSA-N 1 1 377.448 3.639 20 5 GHBDMO Cc1c(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000480072325 848060880 /nfs/dbraw/zinc/06/08/80/848060880.db2.gz LHIDKRBMYJRHGD-UHFFFAOYSA-N 1 1 388.512 3.701 20 5 GHBDMO COc1cc(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc([N+](=O)[O-])c1C ZINC000480106842 848084260 /nfs/dbraw/zinc/08/42/60/848084260.db2.gz QYRDEYFZCIFZIR-UHFFFAOYSA-N 1 1 385.464 3.682 20 5 GHBDMO C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611713964 848284744 /nfs/dbraw/zinc/28/47/44/848284744.db2.gz NWEUGOKIHPPRGX-NVXWUHKLSA-N 1 1 377.448 3.861 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000611935610 848344852 /nfs/dbraw/zinc/34/48/52/848344852.db2.gz ZVFRZGSUYFGMMB-NRFANRHFSA-N 1 1 396.491 3.659 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001167653911 849129273 /nfs/dbraw/zinc/12/92/73/849129273.db2.gz UOAXGUDWQWLHAG-GOSISDBHSA-N 1 1 383.448 3.612 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001167653911 849129278 /nfs/dbraw/zinc/12/92/78/849129278.db2.gz UOAXGUDWQWLHAG-GOSISDBHSA-N 1 1 383.448 3.612 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132387514 862046024 /nfs/dbraw/zinc/04/60/24/862046024.db2.gz FURXULGQTMRHKR-SFTDATJTSA-N 1 1 393.487 3.650 20 5 GHBDMO Cc1ccc(Sc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000434990589 849978782 /nfs/dbraw/zinc/97/87/82/849978782.db2.gz JOFBJFNQDKZUAF-INIZCTEOSA-N 1 1 385.489 3.752 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000518782756 850091251 /nfs/dbraw/zinc/09/12/51/850091251.db2.gz KZHURXFQEVGRIW-CKEIUWERSA-N 1 1 377.510 3.509 20 5 GHBDMO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000435372853 850421271 /nfs/dbraw/zinc/42/12/71/850421271.db2.gz LENVGPAWTJHCLN-NWDGAFQWSA-N 1 1 394.269 3.786 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000439884711 850544555 /nfs/dbraw/zinc/54/45/55/850544555.db2.gz WRBYZRNTUPFTBJ-HNNXBMFYSA-N 1 1 378.473 3.770 20 5 GHBDMO CCOc1ccc(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487253073 850622157 /nfs/dbraw/zinc/62/21/57/850622157.db2.gz UDDGSEOXFJELAG-APWZRJJASA-N 1 1 397.475 3.634 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487273771 850633269 /nfs/dbraw/zinc/63/32/69/850633269.db2.gz VCNQHIWXXFPCKW-ZBFHGGJFSA-N 1 1 387.867 3.889 20 5 GHBDMO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCc2sccc2C1 ZINC000519132661 850672370 /nfs/dbraw/zinc/67/23/70/850672370.db2.gz NYEOIHZNPRBTSJ-GFCCVEGCSA-N 1 1 385.445 3.579 20 5 GHBDMO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@H+]1CCc2sccc2C1 ZINC000519132661 850672372 /nfs/dbraw/zinc/67/23/72/850672372.db2.gz NYEOIHZNPRBTSJ-GFCCVEGCSA-N 1 1 385.445 3.579 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425061752 850901023 /nfs/dbraw/zinc/90/10/23/850901023.db2.gz BUOWFUQBEWYODD-WMLDXEAASA-N 1 1 377.510 3.653 20 5 GHBDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000515422386 851004844 /nfs/dbraw/zinc/00/48/44/851004844.db2.gz UKFBJBFFDVNRTM-IRXDYDNUSA-N 1 1 390.528 3.537 20 5 GHBDMO C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000425422840 851022854 /nfs/dbraw/zinc/02/28/54/851022854.db2.gz YIUIWOKCKHVXNE-NBHGPNQESA-N 1 1 394.475 3.572 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000425471850 851221377 /nfs/dbraw/zinc/22/13/77/851221377.db2.gz IJNLYBJAZUGHNZ-DOTOQJQBSA-N 1 1 383.286 3.730 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000425471850 851221383 /nfs/dbraw/zinc/22/13/83/851221383.db2.gz IJNLYBJAZUGHNZ-DOTOQJQBSA-N 1 1 383.286 3.730 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[N@H+]1C ZINC000488217401 851274835 /nfs/dbraw/zinc/27/48/35/851274835.db2.gz NVLGVJURSCGJGW-ZBFHGGJFSA-N 1 1 385.489 3.959 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3Cc3ccc(F)cc3)o2)cc1 ZINC000515745429 851409213 /nfs/dbraw/zinc/40/92/13/851409213.db2.gz JAMIQMKGMRPZGX-SFHVURJKSA-N 1 1 382.395 3.991 20 5 GHBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000488483282 851554385 /nfs/dbraw/zinc/55/43/85/851554385.db2.gz GVTDVSBUUQSMLU-LPHOPBHVSA-N 1 1 397.475 3.634 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000488532382 851588973 /nfs/dbraw/zinc/58/89/73/851588973.db2.gz NGIHMPCNWJBLKK-QAPCUYQASA-N 1 1 392.459 3.717 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000425546319 851613627 /nfs/dbraw/zinc/61/36/27/851613627.db2.gz DPXMMRLLYPVBQT-DNVCBOLYSA-N 1 1 387.480 3.511 20 5 GHBDMO Cc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473773575 851907613 /nfs/dbraw/zinc/90/76/13/851907613.db2.gz DDRZPACANMCOGY-WMZOPIPTSA-N 1 1 382.464 3.935 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000489040069 851960264 /nfs/dbraw/zinc/96/02/64/851960264.db2.gz FWIVSEFIKSPCRL-QFIPXVFZSA-N 1 1 396.491 3.791 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000516002744 852059207 /nfs/dbraw/zinc/05/92/07/852059207.db2.gz NTCFSWLWFMNVEJ-UHFFFAOYSA-N 1 1 379.888 3.976 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1F ZINC000163182911 862319059 /nfs/dbraw/zinc/31/90/59/862319059.db2.gz PHNWQESAAOUFID-UHFFFAOYSA-N 1 1 383.383 3.858 20 5 GHBDMO CC1(C)CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC000729470014 852115536 /nfs/dbraw/zinc/11/55/36/852115536.db2.gz MJDFCKYFDPSFME-UHFFFAOYSA-N 1 1 394.475 3.580 20 5 GHBDMO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1=O ZINC000550255868 852149326 /nfs/dbraw/zinc/14/93/26/852149326.db2.gz VYGQTEBRXYZGLL-MLGOLLRUSA-N 1 1 377.441 3.637 20 5 GHBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000517626250 852167887 /nfs/dbraw/zinc/16/78/87/852167887.db2.gz YKXTZOAFIDOTHA-WMZOPIPTSA-N 1 1 397.258 3.871 20 5 GHBDMO CCCc1[nH]nc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1[N+](=O)[O-] ZINC000517619465 852178472 /nfs/dbraw/zinc/17/84/72/852178472.db2.gz HULMJQKNBVLONA-CQSZACIVSA-N 1 1 385.468 3.897 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489342062 852245126 /nfs/dbraw/zinc/24/51/26/852245126.db2.gz VOPOOVMZWIOKBJ-ZBFHGGJFSA-N 1 1 376.501 3.774 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000150804667 852408555 /nfs/dbraw/zinc/40/85/55/852408555.db2.gz NSVNUOINKIAATD-WBVHZDCISA-N 1 1 377.485 3.763 20 5 GHBDMO C[N@@H+](CCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCCCC1 ZINC000426038127 852494486 /nfs/dbraw/zinc/49/44/86/852494486.db2.gz XXNSXRIHIIDWGS-UHFFFAOYSA-N 1 1 388.512 3.923 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N[C@H]3CCn4cc[nH+]c4C3)c([N+](=O)[O-])c2)cc1 ZINC000489932361 852654506 /nfs/dbraw/zinc/65/45/06/852654506.db2.gz FCAQKWCOCAQQDY-KRWDZBQOSA-N 1 1 391.431 3.779 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000516590461 852771321 /nfs/dbraw/zinc/77/13/21/852771321.db2.gz LVZJZGDFVCIVGV-QFIPXVFZSA-N 1 1 379.460 3.641 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000437850651 852842843 /nfs/dbraw/zinc/84/28/43/852842843.db2.gz NRXDLAIFRCPPIG-HNNXBMFYSA-N 1 1 377.510 3.844 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000490434605 853027541 /nfs/dbraw/zinc/02/75/41/853027541.db2.gz XTPYOYCCVYAYAX-IFXJQAMLSA-N 1 1 397.500 3.959 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCc2ccccc21 ZINC000518275898 853150787 /nfs/dbraw/zinc/15/07/87/853150787.db2.gz WXMDFDZFQRQIJF-UHFFFAOYSA-N 1 1 391.427 3.924 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000437878039 853176621 /nfs/dbraw/zinc/17/66/21/853176621.db2.gz QTRHACRBRIOKNH-KRWDZBQOSA-N 1 1 375.469 3.520 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000491028037 853405977 /nfs/dbraw/zinc/40/59/77/853405977.db2.gz LZFIKBVBCMKYPW-IBGZPJMESA-N 1 1 381.476 3.887 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000491136117 853455437 /nfs/dbraw/zinc/45/54/37/853455437.db2.gz OZJHSLMDAFCIIY-OAHLLOKOSA-N 1 1 377.510 3.511 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491159964 853474379 /nfs/dbraw/zinc/47/43/79/853474379.db2.gz FRTSHGMASCTMOL-IUODEOHRSA-N 1 1 386.477 3.777 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000519797897 853513617 /nfs/dbraw/zinc/51/36/17/853513617.db2.gz VQLQWAJIIVAHEZ-GOSISDBHSA-N 1 1 397.475 3.521 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 ZINC000586778958 853542445 /nfs/dbraw/zinc/54/24/45/853542445.db2.gz KZGRCAYTMNLJTC-BHIFYINESA-N 1 1 382.460 3.868 20 5 GHBDMO CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760656935 853659217 /nfs/dbraw/zinc/65/92/17/853659217.db2.gz NZOCFKAYNORTIV-BGVYSJOJSA-N 1 1 379.460 3.731 20 5 GHBDMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025702206 853688540 /nfs/dbraw/zinc/68/85/40/853688540.db2.gz CJVVVCUEFWSHMV-QGZVFWFLSA-N 1 1 396.491 3.698 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000571182030 853758620 /nfs/dbraw/zinc/75/86/20/853758620.db2.gz FIDNBVMXDQBERQ-NRFANRHFSA-N 1 1 397.475 3.634 20 5 GHBDMO COc1ccccc1[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000055752579 854089474 /nfs/dbraw/zinc/08/94/74/854089474.db2.gz FWJUWJJLVZIRSL-INIZCTEOSA-N 1 1 389.477 3.622 20 5 GHBDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000441325191 854110736 /nfs/dbraw/zinc/11/07/36/854110736.db2.gz BSXQQKARJDUQPN-HJNYFJLDSA-N 1 1 384.476 3.911 20 5 GHBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000571916960 854186016 /nfs/dbraw/zinc/18/60/16/854186016.db2.gz FTHCZSGCJHDBRD-INIZCTEOSA-N 1 1 398.246 3.817 20 5 GHBDMO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507741912 854266105 /nfs/dbraw/zinc/26/61/05/854266105.db2.gz SZVHYRPWLPGNNL-HNNXBMFYSA-N 1 1 375.419 3.794 20 5 GHBDMO C[C@H](c1ccncc1)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589257582 854763341 /nfs/dbraw/zinc/76/33/41/854763341.db2.gz RAHAXWIZTKTQAX-LLVKDONJSA-N 1 1 397.216 3.787 20 5 GHBDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589257582 854763348 /nfs/dbraw/zinc/76/33/48/854763348.db2.gz RAHAXWIZTKTQAX-LLVKDONJSA-N 1 1 397.216 3.787 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3Cc3cccc(F)c3)o2)cc1 ZINC000120904890 854844583 /nfs/dbraw/zinc/84/45/83/854844583.db2.gz OQZDJZMUUBMFOY-GOSISDBHSA-N 1 1 382.395 3.991 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(OC3CCCCC3)CC2)c1 ZINC000589499323 854911128 /nfs/dbraw/zinc/91/11/28/854911128.db2.gz OSNOOIFPDGQVLW-UHFFFAOYSA-N 1 1 376.453 3.695 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)c1 ZINC000589510602 854972412 /nfs/dbraw/zinc/97/24/12/854972412.db2.gz NKAPOURDHNONMM-VBKZILBWSA-N 1 1 384.432 3.973 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000130809557 855123710 /nfs/dbraw/zinc/12/37/10/855123710.db2.gz XEUCCOYOSBCLAZ-PKOBYXMFSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301505862 855186837 /nfs/dbraw/zinc/18/68/37/855186837.db2.gz CSHYTZKUIDXHDT-RHSMWYFYSA-N 1 1 393.447 3.566 20 5 GHBDMO COC(=O)c1c(Cl)c(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000590583579 855499068 /nfs/dbraw/zinc/49/90/68/855499068.db2.gz ZGNJMPIMHPMVIJ-KDOFPFPSSA-N 1 1 389.839 3.892 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591034915 855730385 /nfs/dbraw/zinc/73/03/85/855730385.db2.gz BQCIVFUWWFFCMH-CIWUYKSXSA-N 1 1 389.496 3.575 20 5 GHBDMO O=[N+]([O-])c1ncccc1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000591204089 855810950 /nfs/dbraw/zinc/81/09/50/855810950.db2.gz CDLSOTYPLVJZGM-UHFFFAOYSA-N 1 1 391.269 3.829 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H]1CC=CCC1 ZINC000485145076 856141938 /nfs/dbraw/zinc/14/19/38/856141938.db2.gz UVECYEBPDWAGHS-KRWDZBQOSA-N 1 1 375.469 3.537 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153814962 856224447 /nfs/dbraw/zinc/22/44/47/856224447.db2.gz AEPROSWMSIMELV-IRLDBZIGSA-N 1 1 395.459 3.695 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153814962 856224449 /nfs/dbraw/zinc/22/44/49/856224449.db2.gz AEPROSWMSIMELV-IRLDBZIGSA-N 1 1 395.459 3.695 20 5 GHBDMO CC(C)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000126876752 856334870 /nfs/dbraw/zinc/33/48/70/856334870.db2.gz LTISXBGPZXPKBI-AZUAARDMSA-N 1 1 399.491 3.765 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001128745584 856409106 /nfs/dbraw/zinc/40/91/06/856409106.db2.gz PIAVCXMNNGRJPJ-HNNXBMFYSA-N 1 1 398.301 3.516 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccco3)CC2)nc1-c1ccc(F)cc1 ZINC000485395511 856457311 /nfs/dbraw/zinc/45/73/11/856457311.db2.gz GBRSZZLDKBUCQJ-UHFFFAOYSA-N 1 1 382.395 3.711 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248447378 856460687 /nfs/dbraw/zinc/46/06/87/856460687.db2.gz HIZBGAVJITXZRZ-SCLBCKFNSA-N 1 1 398.394 3.998 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248447378 856460691 /nfs/dbraw/zinc/46/06/91/856460691.db2.gz HIZBGAVJITXZRZ-SCLBCKFNSA-N 1 1 398.394 3.998 20 5 GHBDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000281036760 862815263 /nfs/dbraw/zinc/81/52/63/862815263.db2.gz PTATVQBNOAKSSN-GOSISDBHSA-N 1 1 385.468 3.675 20 5 GHBDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000281036760 862815275 /nfs/dbraw/zinc/81/52/75/862815275.db2.gz PTATVQBNOAKSSN-GOSISDBHSA-N 1 1 385.468 3.675 20 5 GHBDMO CCc1cc(CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)on1 ZINC000592132798 856677485 /nfs/dbraw/zinc/67/74/85/856677485.db2.gz NXHSUANLIIYMDS-WGSAOQKQSA-N 1 1 387.480 3.884 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+]C2(c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000592138206 856682328 /nfs/dbraw/zinc/68/23/28/856682328.db2.gz WGVQKRHTPUTVLL-UHFFFAOYSA-N 1 1 389.839 3.864 20 5 GHBDMO CCCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ncsc2C1 ZINC000592188401 856685585 /nfs/dbraw/zinc/68/55/85/856685585.db2.gz OQBBJPWGZMULAA-CQSZACIVSA-N 1 1 388.493 3.649 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592139494 856688699 /nfs/dbraw/zinc/68/86/99/856688699.db2.gz GSGBWZHRKUYLMC-OAQYLSRUSA-N 1 1 397.475 3.505 20 5 GHBDMO CSc1ccc(CN(C)C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429238093 856696558 /nfs/dbraw/zinc/69/65/58/856696558.db2.gz QNADTBAOZUPFSO-UHFFFAOYSA-N 1 1 387.505 3.800 20 5 GHBDMO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000173312409 856849423 /nfs/dbraw/zinc/84/94/23/856849423.db2.gz OBUSMKFYDJRACF-CYBMUJFWSA-N 1 1 395.381 3.864 20 5 GHBDMO COc1cccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000574006160 856853036 /nfs/dbraw/zinc/85/30/36/856853036.db2.gz LNXMSCHCJMYDKO-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173457531 856940747 /nfs/dbraw/zinc/94/07/47/856940747.db2.gz IIZAKGTZDGYRCS-UHFFFAOYSA-N 1 1 381.476 3.508 20 5 GHBDMO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000173609256 857023224 /nfs/dbraw/zinc/02/32/24/857023224.db2.gz AJHMYDACQHRUEY-AWEZNQCLSA-N 1 1 375.856 3.889 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000592694878 857028331 /nfs/dbraw/zinc/02/83/31/857028331.db2.gz OPAVZZQYIVOZDR-GOSISDBHSA-N 1 1 397.475 3.729 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000593063041 857181295 /nfs/dbraw/zinc/18/12/95/857181295.db2.gz DHZPEXFYJNZFAK-INIZCTEOSA-N 1 1 375.400 3.812 20 5 GHBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301698035 857217569 /nfs/dbraw/zinc/21/75/69/857217569.db2.gz CBCMCTWVXOZTEX-RBUKOAKNSA-N 1 1 379.460 3.746 20 5 GHBDMO C[C@@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174183500 857222431 /nfs/dbraw/zinc/22/24/31/857222431.db2.gz NFAIOPYLQPUXBA-DYESRHJHSA-N 1 1 396.491 3.962 20 5 GHBDMO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174230935 857229483 /nfs/dbraw/zinc/22/94/83/857229483.db2.gz IEBWTLMHOCFQAX-CHWSQXEVSA-N 1 1 375.400 3.729 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C1CC1 ZINC000486047899 857362669 /nfs/dbraw/zinc/36/26/69/857362669.db2.gz WFWONALFUMFBRW-UHFFFAOYSA-N 1 1 385.489 3.960 20 5 GHBDMO COc1cc(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cc([N+](=O)[O-])c1C ZINC001128250670 857391830 /nfs/dbraw/zinc/39/18/30/857391830.db2.gz YICNARJZPBAZKF-LJQANCHMSA-N 1 1 399.491 3.798 20 5 GHBDMO Cc1cc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n(C(C)(C)C)n1 ZINC000113252439 857396761 /nfs/dbraw/zinc/39/67/61/857396761.db2.gz FUQSOVWFQVXKCK-UHFFFAOYSA-N 1 1 387.484 3.704 20 5 GHBDMO Cc1cc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n(C(C)(C)C)n1 ZINC000113252439 857396769 /nfs/dbraw/zinc/39/67/69/857396769.db2.gz FUQSOVWFQVXKCK-UHFFFAOYSA-N 1 1 387.484 3.704 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486251907 857581781 /nfs/dbraw/zinc/58/17/81/857581781.db2.gz OMLFWTAEPOIBSJ-HNNXBMFYSA-N 1 1 396.919 3.602 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000486375183 857688473 /nfs/dbraw/zinc/68/84/73/857688473.db2.gz SMGFGPOGRFRWBG-JBACZVJFSA-N 1 1 392.459 3.785 20 5 GHBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000192953712 857767618 /nfs/dbraw/zinc/76/76/18/857767618.db2.gz WCHDRRWTZMPXEZ-AWEZNQCLSA-N 1 1 391.269 3.686 20 5 GHBDMO CCCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114107785 857899909 /nfs/dbraw/zinc/89/99/09/857899909.db2.gz SNDFGWPORLWJGD-UHFFFAOYSA-N 1 1 397.479 3.523 20 5 GHBDMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027367782 857914696 /nfs/dbraw/zinc/91/46/96/857914696.db2.gz VMEMVKMWROHVJV-HXUWFJFHSA-N 1 1 395.459 3.720 20 5 GHBDMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027367782 857914701 /nfs/dbraw/zinc/91/47/01/857914701.db2.gz VMEMVKMWROHVJV-HXUWFJFHSA-N 1 1 395.459 3.720 20 5 GHBDMO C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000544442282 858007872 /nfs/dbraw/zinc/00/78/72/858007872.db2.gz IAYKDWQDAWVVJN-CVEARBPZSA-N 1 1 385.439 3.570 20 5 GHBDMO C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000544442282 858007879 /nfs/dbraw/zinc/00/78/79/858007879.db2.gz IAYKDWQDAWVVJN-CVEARBPZSA-N 1 1 385.439 3.570 20 5 GHBDMO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)[C@@H]1c1ccccc1 ZINC000301831244 858123490 /nfs/dbraw/zinc/12/34/90/858123490.db2.gz IETXVMOHJKTHTC-GJZGRUSLSA-N 1 1 377.242 3.610 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)[C@@H]1c1ccccc1 ZINC000301831244 858123494 /nfs/dbraw/zinc/12/34/94/858123494.db2.gz IETXVMOHJKTHTC-GJZGRUSLSA-N 1 1 377.242 3.610 20 5 GHBDMO COc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c(Br)cc1O ZINC000594507727 858197085 /nfs/dbraw/zinc/19/70/85/858197085.db2.gz QOLWLFZZHDQFGE-AWEZNQCLSA-N 1 1 393.237 3.849 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000184888326 858259271 /nfs/dbraw/zinc/25/92/71/858259271.db2.gz NAYZEFVFZBQXKE-MOPGFXCFSA-N 1 1 375.513 3.648 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000066853199 858322176 /nfs/dbraw/zinc/32/21/76/858322176.db2.gz RTOLIRSUXVXTST-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000066853199 858322184 /nfs/dbraw/zinc/32/21/84/858322184.db2.gz RTOLIRSUXVXTST-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(N2CCC(OC)CC2)CCCC1 ZINC000595019016 858353226 /nfs/dbraw/zinc/35/32/26/858353226.db2.gz PJPSCURHBAABPL-INIZCTEOSA-N 1 1 391.512 3.678 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000439110914 858390021 /nfs/dbraw/zinc/39/00/21/858390021.db2.gz KTXNYPNEEXAIGT-QGZVFWFLSA-N 1 1 387.867 3.951 20 5 GHBDMO CC1(C)C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000595074801 858411333 /nfs/dbraw/zinc/41/13/33/858411333.db2.gz WUFQBDWGZNJJMY-KNQAVFIVSA-N 1 1 395.503 3.674 20 5 GHBDMO Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000067068936 858420668 /nfs/dbraw/zinc/42/06/68/858420668.db2.gz KMXVVCLFKHOSPP-UHFFFAOYSA-N 1 1 396.447 3.580 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1C(F)(F)F ZINC000301885815 858509870 /nfs/dbraw/zinc/50/98/70/858509870.db2.gz PLKLTIOISNQHMF-HOTGVXAUSA-N 1 1 395.381 3.661 20 5 GHBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] ZINC000595392657 858522068 /nfs/dbraw/zinc/52/20/68/858522068.db2.gz OQEWXAMZXGTVPH-VIFPVBQESA-N 1 1 376.360 3.746 20 5 GHBDMO Cc1noc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] ZINC000595392657 858522074 /nfs/dbraw/zinc/52/20/74/858522074.db2.gz OQEWXAMZXGTVPH-VIFPVBQESA-N 1 1 376.360 3.746 20 5 GHBDMO COc1ncc(Br)cc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595422437 858526171 /nfs/dbraw/zinc/52/61/71/858526171.db2.gz YAJYCZSPXXGKOW-LLVKDONJSA-N 1 1 380.242 3.920 20 5 GHBDMO Cc1noc(C[NH2+][C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000595454067 858536992 /nfs/dbraw/zinc/53/69/92/858536992.db2.gz IAGSSFSBYOGVIX-QAPCUYQASA-N 1 1 396.850 3.997 20 5 GHBDMO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1cccnc1 ZINC000595502585 858546589 /nfs/dbraw/zinc/54/65/89/858546589.db2.gz ZUCCKQIUHMLMBE-MRXNPFEDSA-N 1 1 394.269 3.602 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000595785398 858686011 /nfs/dbraw/zinc/68/60/11/858686011.db2.gz FESMTFWGJPKRGL-BEFAXECRSA-N 1 1 375.469 3.511 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000595877889 858724501 /nfs/dbraw/zinc/72/45/01/858724501.db2.gz LFYALFJTDCOFIB-HOCLYGCPSA-N 1 1 383.448 3.592 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000543181934 858757009 /nfs/dbraw/zinc/75/70/09/858757009.db2.gz RCUJGYXQKOSVDG-BTYIYWSLSA-N 1 1 395.459 3.576 20 5 GHBDMO O=c1[nH]ccc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596077400 858773647 /nfs/dbraw/zinc/77/36/47/858773647.db2.gz QBOVYVJFPALRBC-CQSZACIVSA-N 1 1 380.807 3.737 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000482914617 858963717 /nfs/dbraw/zinc/96/37/17/858963717.db2.gz IKHJSJGULHMBPS-SFHVURJKSA-N 1 1 397.475 3.506 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccccc3[N+](=O)[O-])n2)O1 ZINC000596614149 858968942 /nfs/dbraw/zinc/96/89/42/858968942.db2.gz NAVSWPTYTZODBL-KDOFPFPSSA-N 1 1 380.404 3.607 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccccc3[N+](=O)[O-])n2)O1 ZINC000596614149 858968946 /nfs/dbraw/zinc/96/89/46/858968946.db2.gz NAVSWPTYTZODBL-KDOFPFPSSA-N 1 1 380.404 3.607 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494271916 881365907 /nfs/dbraw/zinc/36/59/07/881365907.db2.gz UTLRPGCSJWRRIY-YJBOKZPZSA-N 1 1 395.793 3.588 20 5 GHBDMO C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000543256217 859047835 /nfs/dbraw/zinc/04/78/35/859047835.db2.gz CMWUFMAQTGCBNO-STQMWFEESA-N 1 1 385.917 3.577 20 5 GHBDMO CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170334586 881379035 /nfs/dbraw/zinc/37/90/35/881379035.db2.gz HAQGWZPBAFBQMH-QRWLVFNGSA-N 1 1 378.469 3.590 20 5 GHBDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000060356217 859120155 /nfs/dbraw/zinc/12/01/55/859120155.db2.gz GEKZOIAYSXICSY-UHFFFAOYSA-N 1 1 389.477 3.786 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000248541584 859131442 /nfs/dbraw/zinc/13/14/42/859131442.db2.gz BRPSHIOVGMLQRA-FZMZJTMJSA-N 1 1 388.390 3.808 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483104787 859141745 /nfs/dbraw/zinc/14/17/45/859141745.db2.gz JEOUFCZJAOJIAP-OAHLLOKOSA-N 1 1 387.411 3.561 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596955002 859193125 /nfs/dbraw/zinc/19/31/25/859193125.db2.gz OHJFRXRRVDZCLR-OAQYLSRUSA-N 1 1 394.475 3.543 20 5 GHBDMO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000483437184 859373244 /nfs/dbraw/zinc/37/32/44/859373244.db2.gz HJDJNZQVVFUZEE-KRWDZBQOSA-N 1 1 399.422 3.723 20 5 GHBDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000483437184 859373248 /nfs/dbraw/zinc/37/32/48/859373248.db2.gz HJDJNZQVVFUZEE-KRWDZBQOSA-N 1 1 399.422 3.723 20 5 GHBDMO CC[N@@H+](CCc1ccccn1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000764316173 859377544 /nfs/dbraw/zinc/37/75/44/859377544.db2.gz UOCOGUFUPTYOEE-ZDUSSCGKSA-N 1 1 376.844 3.535 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)s1 ZINC000597252013 859397855 /nfs/dbraw/zinc/39/78/55/859397855.db2.gz HGFPCODVCFVMNM-SZTZYQKNSA-N 1 1 387.461 3.731 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)s1 ZINC000597252013 859397862 /nfs/dbraw/zinc/39/78/62/859397862.db2.gz HGFPCODVCFVMNM-SZTZYQKNSA-N 1 1 387.461 3.731 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1F ZINC000764507053 859474419 /nfs/dbraw/zinc/47/44/19/859474419.db2.gz GBSSEOMAXCTVLA-AWEZNQCLSA-N 1 1 387.411 3.688 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000922333535 859644048 /nfs/dbraw/zinc/64/40/48/859644048.db2.gz QEBCJWGQYOXMPZ-UHFFFAOYSA-N 1 1 379.258 3.644 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(C[C@H]4CCCO4)CC3)s2)cc1 ZINC000611252806 859664804 /nfs/dbraw/zinc/66/48/04/859664804.db2.gz PRKSWOJCLLIMLM-GOSISDBHSA-N 1 1 387.505 3.620 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](C[C@H]4CCCO4)CC3)s2)cc1 ZINC000611252806 859664806 /nfs/dbraw/zinc/66/48/06/859664806.db2.gz PRKSWOJCLLIMLM-GOSISDBHSA-N 1 1 387.505 3.620 20 5 GHBDMO Cn1cc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611268317 859673723 /nfs/dbraw/zinc/67/37/23/859673723.db2.gz VIDSERFFMXXZSW-OAQYLSRUSA-N 1 1 392.459 3.959 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(Oc3ccc(F)cc3)CC1)OCCO2 ZINC000611266606 859673852 /nfs/dbraw/zinc/67/38/52/859673852.db2.gz QVMYLYZIUKWZNR-UHFFFAOYSA-N 1 1 388.395 3.549 20 5 GHBDMO Cc1[nH+]c2cc(Nc3ncc([N+](=O)[O-])c(C)c3Br)ccc2n1C ZINC000543436559 859719168 /nfs/dbraw/zinc/71/91/68/859719168.db2.gz KTDGGJXONRGQHJ-UHFFFAOYSA-N 1 1 376.214 3.999 20 5 GHBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C2 ZINC000597714735 859741916 /nfs/dbraw/zinc/74/19/16/859741916.db2.gz ISSIWZNVUBWMHR-JOCHJYFZSA-N 1 1 395.459 3.945 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765026808 859750685 /nfs/dbraw/zinc/75/06/85/859750685.db2.gz KUESDKALNRAKLO-YWZLYKJASA-N 1 1 375.469 3.989 20 5 GHBDMO Cc1nn(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000765071446 859764849 /nfs/dbraw/zinc/76/48/49/859764849.db2.gz YADKZOSZWQYWNJ-IBGZPJMESA-N 1 1 380.448 3.544 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000611532164 859797904 /nfs/dbraw/zinc/79/79/04/859797904.db2.gz POFKAAOGYDFXME-CYBMUJFWSA-N 1 1 386.395 3.607 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000611532164 859797907 /nfs/dbraw/zinc/79/79/07/859797907.db2.gz POFKAAOGYDFXME-CYBMUJFWSA-N 1 1 386.395 3.607 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000261373696 859916989 /nfs/dbraw/zinc/91/69/89/859916989.db2.gz IYXFTVRMXGHHOT-MRXNPFEDSA-N 1 1 396.491 3.798 20 5 GHBDMO COc1ccc(C[C@H](C)N2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001170351723 881498513 /nfs/dbraw/zinc/49/85/13/881498513.db2.gz HETDSXLYDGQXPF-YTQUADARSA-N 1 1 375.513 3.873 20 5 GHBDMO COc1ccc(C[C@H](C)N2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001170351723 881498523 /nfs/dbraw/zinc/49/85/23/881498523.db2.gz HETDSXLYDGQXPF-YTQUADARSA-N 1 1 375.513 3.873 20 5 GHBDMO CCc1ccc([C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)cc1 ZINC000484555752 860114377 /nfs/dbraw/zinc/11/43/77/860114377.db2.gz RKIMWNANFKVZIB-NRFANRHFSA-N 1 1 397.475 3.868 20 5 GHBDMO CCc1ccc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)cc1 ZINC000484555752 860114384 /nfs/dbraw/zinc/11/43/84/860114384.db2.gz RKIMWNANFKVZIB-NRFANRHFSA-N 1 1 397.475 3.868 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123857803 860115671 /nfs/dbraw/zinc/11/56/71/860115671.db2.gz WNAGVGCHWMVYPE-UHFFFAOYSA-N 1 1 392.459 3.913 20 5 GHBDMO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)c1ccccc1 ZINC000428885947 860208939 /nfs/dbraw/zinc/20/89/39/860208939.db2.gz YAPPCNUSQRSREI-AWEZNQCLSA-N 1 1 385.420 3.734 20 5 GHBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000124142391 860242916 /nfs/dbraw/zinc/24/29/16/860242916.db2.gz MHZDLPUGRIKNQA-INIZCTEOSA-N 1 1 385.464 3.839 20 5 GHBDMO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H](C)CS(=O)(=O)CC ZINC000093413800 860267115 /nfs/dbraw/zinc/26/71/15/860267115.db2.gz YGZGCLNNKDZQCJ-CQSZACIVSA-N 1 1 396.534 3.968 20 5 GHBDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H](C)CS(=O)(=O)CC ZINC000093413800 860267120 /nfs/dbraw/zinc/26/71/20/860267120.db2.gz YGZGCLNNKDZQCJ-CQSZACIVSA-N 1 1 396.534 3.968 20 5 GHBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093420728 860269353 /nfs/dbraw/zinc/26/93/53/860269353.db2.gz GXCZBHVAZWHARM-OLZOCXBDSA-N 1 1 382.507 3.577 20 5 GHBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093420728 860269364 /nfs/dbraw/zinc/26/93/64/860269364.db2.gz GXCZBHVAZWHARM-OLZOCXBDSA-N 1 1 382.507 3.577 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)nc1 ZINC000093534390 860297700 /nfs/dbraw/zinc/29/77/00/860297700.db2.gz WJZJSHWEMITIIA-LJQANCHMSA-N 1 1 375.432 3.738 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c([N+](=O)[O-])cc1F ZINC000602888115 860339274 /nfs/dbraw/zinc/33/92/74/860339274.db2.gz PEUFTUPUWIOTTB-CQSZACIVSA-N 1 1 382.395 3.675 20 5 GHBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093754307 860342840 /nfs/dbraw/zinc/34/28/40/860342840.db2.gz XSZCYJGVTDWFBL-OAHLLOKOSA-N 1 1 376.478 3.808 20 5 GHBDMO COc1ccc(NC(=O)CC[NH2+][C@@H](C(F)F)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000598651020 860482918 /nfs/dbraw/zinc/48/29/18/860482918.db2.gz VIKKTGOWRXWGDC-QGZVFWFLSA-N 1 1 385.411 3.736 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000552349279 860513260 /nfs/dbraw/zinc/51/32/60/860513260.db2.gz FMIZPFGBPUCBOK-HSZRJFAPSA-N 1 1 393.487 3.652 20 5 GHBDMO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000172122124 860580184 /nfs/dbraw/zinc/58/01/84/860580184.db2.gz HHRFLCSMSFSMAA-GFCCVEGCSA-N 1 1 398.868 3.563 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCOCC2)c(OC(F)F)c1 ZINC000509053445 860706229 /nfs/dbraw/zinc/70/62/29/860706229.db2.gz TWQACEUIOIRPGK-UHFFFAOYSA-N 1 1 393.390 3.641 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599147036 860823567 /nfs/dbraw/zinc/82/35/67/860823567.db2.gz KBKSXPGALBYIRL-GFCCVEGCSA-N 1 1 398.301 3.598 20 5 GHBDMO Cc1ccc(C)n1C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000522475215 860880863 /nfs/dbraw/zinc/88/08/63/860880863.db2.gz QMUBOZVLWYHONL-UHFFFAOYSA-N 1 1 381.436 3.900 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000025634736 860939235 /nfs/dbraw/zinc/93/92/35/860939235.db2.gz HFSHFIFQNICWHF-HZPDHXFCSA-N 1 1 399.516 3.638 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000439699122 863489243 /nfs/dbraw/zinc/48/92/43/863489243.db2.gz UODZDHJINPGJHN-CQSZACIVSA-N 1 1 398.301 3.598 20 5 GHBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856729992 881697231 /nfs/dbraw/zinc/69/72/31/881697231.db2.gz CGAHEGQGSAQHHV-CYBMUJFWSA-N 1 1 391.269 3.636 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)CC[C@@H]21 ZINC000897018519 864284295 /nfs/dbraw/zinc/28/42/95/864284295.db2.gz ZKWUOOIHFGFOFW-SKDRFNHKSA-N 1 1 390.242 3.597 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000716275983 865383177 /nfs/dbraw/zinc/38/31/77/865383177.db2.gz DUMSCTCDICUCRF-IFXJQAMLSA-N 1 1 387.867 3.889 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(CN3CCC[N@H+](C4CCCC4)CC3)c2c1 ZINC000738271721 865512636 /nfs/dbraw/zinc/51/26/36/865512636.db2.gz XNEWLPUQJKPXGS-UHFFFAOYSA-N 1 1 376.482 3.780 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000608805032 865711077 /nfs/dbraw/zinc/71/10/77/865711077.db2.gz KVEMVRITTJXVMX-OAHLLOKOSA-N 1 1 385.468 3.540 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444408203 866081645 /nfs/dbraw/zinc/08/16/45/866081645.db2.gz RDHFQBZJPFTECK-UHFFFAOYSA-N 1 1 382.464 3.584 20 5 GHBDMO Cc1cccc(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000523095311 866101306 /nfs/dbraw/zinc/10/13/06/866101306.db2.gz SOFCQXFXDHJWIK-HZPDHXFCSA-N 1 1 383.448 3.765 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001170425901 881947126 /nfs/dbraw/zinc/94/71/26/881947126.db2.gz URBKYBAAWGQYBT-MRXNPFEDSA-N 1 1 399.403 3.669 20 5 GHBDMO Cc1cc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)ccc1[N+](=O)[O-] ZINC000552874393 866366835 /nfs/dbraw/zinc/36/68/35/866366835.db2.gz LEFCTMNRRKVDSI-GOSISDBHSA-N 1 1 379.416 3.757 20 5 GHBDMO Cc1cc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)ccc1[N+](=O)[O-] ZINC000552874394 866366895 /nfs/dbraw/zinc/36/68/95/866366895.db2.gz LEFCTMNRRKVDSI-SFHVURJKSA-N 1 1 379.416 3.757 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000475579620 866413018 /nfs/dbraw/zinc/41/30/18/866413018.db2.gz BKTQUABXRTYFDJ-IBGZPJMESA-N 1 1 398.459 3.744 20 5 GHBDMO Cc1cccc(C2(O)CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000741803867 866828641 /nfs/dbraw/zinc/82/86/41/866828641.db2.gz HSSMZUPSRBQPOK-KRWDZBQOSA-N 1 1 397.475 3.522 20 5 GHBDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742149321 867103591 /nfs/dbraw/zinc/10/35/91/867103591.db2.gz KGUAUFIFRDBDRG-IBGZPJMESA-N 1 1 377.448 3.826 20 5 GHBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440563818 867240182 /nfs/dbraw/zinc/24/01/82/867240182.db2.gz UFISPGLECHUUOZ-XFQAVAEZSA-N 1 1 387.480 3.593 20 5 GHBDMO C[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000742962639 867700767 /nfs/dbraw/zinc/70/07/67/867700767.db2.gz NQAFTQNYXMQIHF-ZVBPTUHVSA-N 1 1 379.460 3.731 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@H]1c1ccc(Cl)cc1 ZINC000534944675 867806433 /nfs/dbraw/zinc/80/64/33/867806433.db2.gz MUVBKWBNHOZTNR-IEBWSBKVSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@H]1c1ccc(Cl)cc1 ZINC000534944675 867806443 /nfs/dbraw/zinc/80/64/43/867806443.db2.gz MUVBKWBNHOZTNR-IEBWSBKVSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@H]1c1ccc(Cl)cc1 ZINC000534944677 867806655 /nfs/dbraw/zinc/80/66/55/867806655.db2.gz MUVBKWBNHOZTNR-PKOBYXMFSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@H]1c1ccc(Cl)cc1 ZINC000534944677 867806662 /nfs/dbraw/zinc/80/66/62/867806662.db2.gz MUVBKWBNHOZTNR-PKOBYXMFSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(Cl)c(F)c1 ZINC000534969475 867844204 /nfs/dbraw/zinc/84/42/04/867844204.db2.gz QDRAQVXJOUQJAL-UHFFFAOYSA-N 1 1 393.802 3.817 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000553794987 868244433 /nfs/dbraw/zinc/24/44/33/868244433.db2.gz ZRGZICISFJDVCR-IBGZPJMESA-N 1 1 388.512 3.576 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553818630 868246687 /nfs/dbraw/zinc/24/66/87/868246687.db2.gz BCDGMGAYTNEZIO-YLJYHZDGSA-N 1 1 396.491 3.614 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183895161 868596805 /nfs/dbraw/zinc/59/68/05/868596805.db2.gz GIVLEQXKISSIET-CQSZACIVSA-N 1 1 385.645 3.834 20 5 GHBDMO COc1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000041897830 868674700 /nfs/dbraw/zinc/67/47/00/868674700.db2.gz CKXGQXKVXRODCP-LJQANCHMSA-N 1 1 399.447 3.778 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000524201454 868696730 /nfs/dbraw/zinc/69/67/30/868696730.db2.gz NCMRWTGDFNGGHA-GOEBONIOSA-N 1 1 378.432 3.641 20 5 GHBDMO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000479955385 868768398 /nfs/dbraw/zinc/76/83/98/868768398.db2.gz FRZJHPZMYMMKLT-UHFFFAOYSA-N 1 1 383.379 3.547 20 5 GHBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000479962471 868805087 /nfs/dbraw/zinc/80/50/87/868805087.db2.gz SJHVWOAWRHDWHH-SFHVURJKSA-N 1 1 396.491 3.621 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)OCCCOc3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1 ZINC000920622128 882228811 /nfs/dbraw/zinc/22/88/11/882228811.db2.gz WOADQABJVAQOKU-UHFFFAOYSA-N 1 1 399.447 3.527 20 5 GHBDMO O=[N+]([O-])c1ccc(NCCc2[nH+]ccn2Cc2ccccc2)nc1-c1ccccc1 ZINC000535593278 869036203 /nfs/dbraw/zinc/03/62/03/869036203.db2.gz AUMXEGRNXJFXDS-UHFFFAOYSA-N 1 1 399.454 3.978 20 5 GHBDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 ZINC000524570086 869285897 /nfs/dbraw/zinc/28/58/97/869285897.db2.gz JUFOVIGFHIVOPY-UHFFFAOYSA-N 1 1 399.447 3.866 20 5 GHBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000428431206 869372048 /nfs/dbraw/zinc/37/20/48/869372048.db2.gz RVSCKBCSLKYZDL-NRFANRHFSA-N 1 1 386.448 3.529 20 5 GHBDMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000524885154 869730741 /nfs/dbraw/zinc/73/07/41/869730741.db2.gz KZKNAKLLAKEOJK-ZWKOTPCHSA-N 1 1 396.491 3.962 20 5 GHBDMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446422522 869848834 /nfs/dbraw/zinc/84/88/34/869848834.db2.gz KCVVBTPGWDIJSK-NRFANRHFSA-N 1 1 397.450 3.673 20 5 GHBDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446422522 869848843 /nfs/dbraw/zinc/84/88/43/869848843.db2.gz KCVVBTPGWDIJSK-NRFANRHFSA-N 1 1 397.450 3.673 20 5 GHBDMO COc1ccc(CN2CC[N@@H+](C)CC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539839299 869901078 /nfs/dbraw/zinc/90/10/78/869901078.db2.gz QYVHTDJXPMVWFD-QGZVFWFLSA-N 1 1 399.491 3.708 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027386720 882350511 /nfs/dbraw/zinc/35/05/11/882350511.db2.gz QKHYFLDTMOEWMO-UHFFFAOYSA-N 1 1 399.516 3.730 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000539858999 869908937 /nfs/dbraw/zinc/90/89/37/869908937.db2.gz RZARJYYKHHHXSN-UHFFFAOYSA-N 1 1 396.491 3.520 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446486864 869918688 /nfs/dbraw/zinc/91/86/88/869918688.db2.gz XZMHLCMIQOMGDR-FUHWJXTLSA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)c(C)c1[N+](=O)[O-] ZINC000920757956 882360057 /nfs/dbraw/zinc/36/00/57/882360057.db2.gz KSQDQCJFJNIICB-MRXNPFEDSA-N 1 1 393.285 3.835 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1)CC1CC1 ZINC000540016410 870205395 /nfs/dbraw/zinc/20/53/95/870205395.db2.gz SFQUXEVHWFKEMF-UHFFFAOYSA-N 1 1 379.526 3.939 20 5 GHBDMO COc1cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000538715179 870397574 /nfs/dbraw/zinc/39/75/74/870397574.db2.gz NSUVESHBKRRYRA-GHMZBOCLSA-N 1 1 376.425 3.573 20 5 GHBDMO CCCOc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OCC ZINC000446857904 870590928 /nfs/dbraw/zinc/59/09/28/870590928.db2.gz XRNIPFIQSMIPSG-UHFFFAOYSA-N 1 1 384.436 3.948 20 5 GHBDMO COC(=O)c1ccc(Br)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001192673109 870592749 /nfs/dbraw/zinc/59/27/49/870592749.db2.gz LSWZNLBAFCRJQG-NSHDSACASA-N 1 1 393.237 3.995 20 5 GHBDMO CCNc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000441153146 870662976 /nfs/dbraw/zinc/66/29/76/870662976.db2.gz IELYJJFFSRXQCH-GOSISDBHSA-N 1 1 396.491 3.621 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)o1 ZINC000463013728 870667288 /nfs/dbraw/zinc/66/72/88/870667288.db2.gz TYLCMFJPJXJUIH-QFIPXVFZSA-N 1 1 378.428 3.991 20 5 GHBDMO C[C@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000617734135 870837194 /nfs/dbraw/zinc/83/71/94/870837194.db2.gz HKZQBXUHLMZCCE-BBWFWOEESA-N 1 1 397.475 3.946 20 5 GHBDMO C[C@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000617734135 870837209 /nfs/dbraw/zinc/83/72/09/870837209.db2.gz HKZQBXUHLMZCCE-BBWFWOEESA-N 1 1 397.475 3.946 20 5 GHBDMO C[C@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000617813002 870928885 /nfs/dbraw/zinc/92/88/85/870928885.db2.gz RRCRCLZFVGROBX-HNNXBMFYSA-N 1 1 394.431 3.629 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2CCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428471690 871085055 /nfs/dbraw/zinc/08/50/55/871085055.db2.gz CAIADJLLFKFIGL-GOSISDBHSA-N 1 1 386.448 3.529 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169011659 871095873 /nfs/dbraw/zinc/09/58/73/871095873.db2.gz LZBWLLUSAKFQOB-UWVAXJGDSA-N 1 1 381.517 3.545 20 5 GHBDMO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169055833 871137752 /nfs/dbraw/zinc/13/77/52/871137752.db2.gz QTZYKEKAMWCYFN-PZJWPPBQSA-N 1 1 382.460 3.921 20 5 GHBDMO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1F ZINC000540415567 871222411 /nfs/dbraw/zinc/22/24/11/871222411.db2.gz UMFZEVDATLEEGX-ZWKOTPCHSA-N 1 1 375.375 3.719 20 5 GHBDMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525709261 871269714 /nfs/dbraw/zinc/26/97/14/871269714.db2.gz JJGKKBGERMNCHE-LPHOPBHVSA-N 1 1 399.491 3.755 20 5 GHBDMO COC(=O)c1ccc(OCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000441237635 871357413 /nfs/dbraw/zinc/35/74/13/871357413.db2.gz WXEVDYRCKMEHMI-UHFFFAOYSA-N 1 1 378.812 3.546 20 5 GHBDMO COC(=O)c1ccc(OCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000441237635 871357430 /nfs/dbraw/zinc/35/74/30/871357430.db2.gz WXEVDYRCKMEHMI-UHFFFAOYSA-N 1 1 378.812 3.546 20 5 GHBDMO CC[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001194263058 871598346 /nfs/dbraw/zinc/59/83/46/871598346.db2.gz STARNQYQEWSOLR-GOSISDBHSA-N 1 1 389.883 3.990 20 5 GHBDMO CC[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001194263058 871598353 /nfs/dbraw/zinc/59/83/53/871598353.db2.gz STARNQYQEWSOLR-GOSISDBHSA-N 1 1 389.883 3.990 20 5 GHBDMO Nc1nc(Br)ccc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001194477859 871740352 /nfs/dbraw/zinc/74/03/52/871740352.db2.gz RNWVKHVLVZVQII-ZDUSSCGKSA-N 1 1 391.269 3.714 20 5 GHBDMO Nc1nc(Br)ccc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001194477859 871740358 /nfs/dbraw/zinc/74/03/58/871740358.db2.gz RNWVKHVLVZVQII-ZDUSSCGKSA-N 1 1 391.269 3.714 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000462190730 871757799 /nfs/dbraw/zinc/75/77/99/871757799.db2.gz QLOLXYNCZSFUED-YWZLYKJASA-N 1 1 399.466 3.648 20 5 GHBDMO CC[C@H](C)Oc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OC ZINC000618618696 871772541 /nfs/dbraw/zinc/77/25/41/871772541.db2.gz QFIZJQUDHQHORU-ZDUSSCGKSA-N 1 1 384.436 3.947 20 5 GHBDMO CN(CCCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000552045435 871929808 /nfs/dbraw/zinc/92/98/08/871929808.db2.gz GVQAELQILSXZNY-OAQYLSRUSA-N 1 1 393.491 3.924 20 5 GHBDMO CN(CCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000552051167 871982404 /nfs/dbraw/zinc/98/24/04/871982404.db2.gz LGFPCLNFKUQORR-FQEVSTJZSA-N 1 1 379.464 3.534 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000767117172 872273083 /nfs/dbraw/zinc/27/30/83/872273083.db2.gz APSHFCLRLWZBDR-KBPBESRZSA-N 1 1 389.402 3.608 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000767117172 872273100 /nfs/dbraw/zinc/27/31/00/872273100.db2.gz APSHFCLRLWZBDR-KBPBESRZSA-N 1 1 389.402 3.608 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000540922589 872514501 /nfs/dbraw/zinc/51/45/01/872514501.db2.gz BFCPTORBYRZXBY-UHFFFAOYSA-N 1 1 396.919 3.553 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000475714441 882649319 /nfs/dbraw/zinc/64/93/19/882649319.db2.gz IGXCUFIZNAFXHC-CRAIPNDOSA-N 1 1 384.432 3.525 20 5 GHBDMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000494621075 882655015 /nfs/dbraw/zinc/65/50/15/882655015.db2.gz PUNMYRBDDDJXEU-LBPRGKRZSA-N 1 1 378.812 3.651 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4ccccc4Cl)CC3)nc2c1 ZINC000460347965 872802420 /nfs/dbraw/zinc/80/24/20/872802420.db2.gz DMZLUIXUJARPQO-UHFFFAOYSA-N 1 1 385.855 3.837 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC001196131954 872888239 /nfs/dbraw/zinc/88/82/39/872888239.db2.gz KJEFBXQYUCZWDF-QFIPXVFZSA-N 1 1 397.475 3.904 20 5 GHBDMO COc1ccc(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000541107514 872948694 /nfs/dbraw/zinc/94/86/94/872948694.db2.gz SFLYQIYQJAPMSO-OAHLLOKOSA-N 1 1 386.452 3.636 20 5 GHBDMO CCC[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000183000753 873070550 /nfs/dbraw/zinc/07/05/50/873070550.db2.gz CHHRIEIGCYCGNB-NHCUHLMSSA-N 1 1 396.491 3.998 20 5 GHBDMO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768197006 873163032 /nfs/dbraw/zinc/16/30/32/873163032.db2.gz HETIYSYBWAUWIO-UHFFFAOYSA-N 1 1 379.210 3.718 20 5 GHBDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768197006 873163041 /nfs/dbraw/zinc/16/30/41/873163041.db2.gz HETIYSYBWAUWIO-UHFFFAOYSA-N 1 1 379.210 3.718 20 5 GHBDMO C[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000102526220 873252025 /nfs/dbraw/zinc/25/20/25/873252025.db2.gz MQMIWEHYWGAZDY-UHFFFAOYSA-N 1 1 391.475 3.631 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001197167524 873634957 /nfs/dbraw/zinc/63/49/57/873634957.db2.gz IEYNEPWRWVWVCX-WBVHZDCISA-N 1 1 393.459 3.955 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001197286865 873714478 /nfs/dbraw/zinc/71/44/78/873714478.db2.gz YEDYQDWGMDQHFZ-SFHVURJKSA-N 1 1 389.496 3.761 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000769063748 873793855 /nfs/dbraw/zinc/79/38/55/873793855.db2.gz KSEYYRGENNZICL-AWEZNQCLSA-N 1 1 387.436 3.954 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)c1 ZINC001197544344 873886956 /nfs/dbraw/zinc/88/69/56/873886956.db2.gz VYYAXMGRZZSHOX-HNNXBMFYSA-N 1 1 386.452 3.608 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001197544344 873886974 /nfs/dbraw/zinc/88/69/74/873886974.db2.gz VYYAXMGRZZSHOX-HNNXBMFYSA-N 1 1 386.452 3.608 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001197544344 873886992 /nfs/dbraw/zinc/88/69/92/873886992.db2.gz VYYAXMGRZZSHOX-HNNXBMFYSA-N 1 1 386.452 3.608 20 5 GHBDMO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000595777363 874214515 /nfs/dbraw/zinc/21/45/15/874214515.db2.gz FRXYVQFOARNPCF-HZPDHXFCSA-N 1 1 386.452 3.861 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448974424 874276822 /nfs/dbraw/zinc/27/68/22/874276822.db2.gz KDKOFIBMFMIBSU-UHFFFAOYSA-N 1 1 399.495 3.569 20 5 GHBDMO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000448974424 874276839 /nfs/dbraw/zinc/27/68/39/874276839.db2.gz KDKOFIBMFMIBSU-UHFFFAOYSA-N 1 1 399.495 3.569 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000448974424 874276856 /nfs/dbraw/zinc/27/68/56/874276856.db2.gz KDKOFIBMFMIBSU-UHFFFAOYSA-N 1 1 399.495 3.569 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000770021865 874410293 /nfs/dbraw/zinc/41/02/93/874410293.db2.gz XPJHNDZIGJAZKL-BBRMVZONSA-N 1 1 398.891 3.507 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](CSc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000464764732 874453139 /nfs/dbraw/zinc/45/31/39/874453139.db2.gz XPOYRGVPMKUVHQ-MRXNPFEDSA-N 1 1 397.500 3.598 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000770376581 874617732 /nfs/dbraw/zinc/61/77/32/874617732.db2.gz WBACAANFQKQNHS-DYVFJYSZSA-N 1 1 394.313 3.806 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000449367915 874766423 /nfs/dbraw/zinc/76/64/23/874766423.db2.gz ZWBCSUMYVOXURN-KXBFYZLASA-N 1 1 380.473 3.897 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)c1ccc(O)c(=O)[nH]1 ZINC001199197195 874846831 /nfs/dbraw/zinc/84/68/31/874846831.db2.gz AQGKPGRQZKCVDD-UHFFFAOYSA-N 1 1 388.427 3.821 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3csc(-c4ncccn4)n3)C2)cc1 ZINC000449503826 874967310 /nfs/dbraw/zinc/96/73/10/874967310.db2.gz UVJMVZAOILGMDN-HNNXBMFYSA-N 1 1 381.461 3.888 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3csc(-c4ncccn4)n3)C2)cc1 ZINC000449503826 874967317 /nfs/dbraw/zinc/96/73/17/874967317.db2.gz UVJMVZAOILGMDN-HNNXBMFYSA-N 1 1 381.461 3.888 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449626265 875148338 /nfs/dbraw/zinc/14/83/38/875148338.db2.gz PKWFXAVNPXSBOH-SZVBFZGTSA-N 1 1 398.488 3.989 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000271808797 875451363 /nfs/dbraw/zinc/45/13/63/875451363.db2.gz MXJLJXSZMQVQSM-PTFIGZPYSA-N 1 1 376.478 3.970 20 5 GHBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000460673186 875516614 /nfs/dbraw/zinc/51/66/14/875516614.db2.gz VNURDXAOEMWELO-LBPRGKRZSA-N 1 1 390.406 3.533 20 5 GHBDMO CC(C)C[N@H+]1CCO[C@@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491409506 875674752 /nfs/dbraw/zinc/67/47/52/875674752.db2.gz HUKODKIUCQQPBG-VXKWHMMOSA-N 1 1 383.492 3.631 20 5 GHBDMO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491409506 875674765 /nfs/dbraw/zinc/67/47/65/875674765.db2.gz HUKODKIUCQQPBG-VXKWHMMOSA-N 1 1 383.492 3.631 20 5 GHBDMO CC(C)C[N@H+]1CCO[C@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491409507 875675428 /nfs/dbraw/zinc/67/54/28/875675428.db2.gz HUKODKIUCQQPBG-YADHBBJMSA-N 1 1 383.492 3.631 20 5 GHBDMO CC(C)CN1CCO[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491409507 875675435 /nfs/dbraw/zinc/67/54/35/875675435.db2.gz HUKODKIUCQQPBG-YADHBBJMSA-N 1 1 383.492 3.631 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000106405501 876023786 /nfs/dbraw/zinc/02/37/86/876023786.db2.gz JXHTULQXYLSSPA-ZDUSSCGKSA-N 1 1 389.839 3.894 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)cc1 ZINC000776273781 876136495 /nfs/dbraw/zinc/13/64/95/876136495.db2.gz AKHWZTQENQFNLO-PKOBYXMFSA-N 1 1 376.840 3.825 20 5 GHBDMO C[C@@H]1C[NH+](CCC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000537659563 883005986 /nfs/dbraw/zinc/00/59/86/883005986.db2.gz YJYANOWGHMLXCC-VRKMBTERSA-N 1 1 387.524 3.819 20 5 GHBDMO CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000786129896 876495136 /nfs/dbraw/zinc/49/51/36/876495136.db2.gz VTLYTDZVMWBPQI-OXQOHEQNSA-N 1 1 385.464 3.676 20 5 GHBDMO CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000786129896 876495153 /nfs/dbraw/zinc/49/51/53/876495153.db2.gz VTLYTDZVMWBPQI-OXQOHEQNSA-N 1 1 385.464 3.676 20 5 GHBDMO O=C(OCCc1ccccc1[N+](=O)[O-])c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786468850 876699687 /nfs/dbraw/zinc/69/96/87/876699687.db2.gz FEFCFURVQPOHBS-UHFFFAOYSA-N 1 1 388.330 3.513 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000492373523 876733244 /nfs/dbraw/zinc/73/32/44/876733244.db2.gz IKOUIDGNAPCCGS-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3C(C)=O)CC2)cc1 ZINC000786575501 876806446 /nfs/dbraw/zinc/80/64/46/876806446.db2.gz WGOZIIMSESZWSA-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC4(CC3)OCCc3ccsc34)nc2c1 ZINC000492468848 876884304 /nfs/dbraw/zinc/88/43/04/876884304.db2.gz WKVQQLSJFVSULC-UHFFFAOYSA-N 1 1 385.445 3.862 20 5 GHBDMO COc1cc(Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)c([N+](=O)[O-])cc1OC(F)F ZINC000450994251 877164496 /nfs/dbraw/zinc/16/44/96/877164496.db2.gz BTFWMPIBAPDZSY-WDEREUQCSA-N 1 1 381.379 3.820 20 5 GHBDMO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610001688 877272764 /nfs/dbraw/zinc/27/27/64/877272764.db2.gz JZKFKZSUDVQIHV-HXUWFJFHSA-N 1 1 384.411 3.568 20 5 GHBDMO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610001688 877272781 /nfs/dbraw/zinc/27/27/81/877272781.db2.gz JZKFKZSUDVQIHV-HXUWFJFHSA-N 1 1 384.411 3.568 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000537677287 883116511 /nfs/dbraw/zinc/11/65/11/883116511.db2.gz FGGIBXMTJSVZPY-APWZRJJASA-N 1 1 381.476 3.913 20 5 GHBDMO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610045719 877326929 /nfs/dbraw/zinc/32/69/29/877326929.db2.gz LRBWHCXTQFSKRH-FQEVSTJZSA-N 1 1 381.476 3.653 20 5 GHBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160230 877465110 /nfs/dbraw/zinc/46/51/10/877465110.db2.gz BNRAOMHLGJRWKL-ZHRRBRCNSA-N 1 1 392.459 3.844 20 5 GHBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160230 877465112 /nfs/dbraw/zinc/46/51/12/877465112.db2.gz BNRAOMHLGJRWKL-ZHRRBRCNSA-N 1 1 392.459 3.844 20 5 GHBDMO COC[C@@]1(C)CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000451202551 877567363 /nfs/dbraw/zinc/56/73/63/877567363.db2.gz PJIPBNXCIDAWAT-IRLDBZIGSA-N 1 1 397.475 3.941 20 5 GHBDMO COC[C@@]1(C)CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000451202551 877567373 /nfs/dbraw/zinc/56/73/73/877567373.db2.gz PJIPBNXCIDAWAT-IRLDBZIGSA-N 1 1 397.475 3.941 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4cnccc34)c2)CCO1 ZINC000067903820 877611009 /nfs/dbraw/zinc/61/10/09/877611009.db2.gz PPSZEYREKNTAEE-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4cnccc34)c2)CCO1 ZINC000067903820 877611014 /nfs/dbraw/zinc/61/10/14/877611014.db2.gz PPSZEYREKNTAEE-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000746711498 877685913 /nfs/dbraw/zinc/68/59/13/877685913.db2.gz JCCPPGYDGBBGOS-XLIONFOSSA-N 1 1 393.443 3.807 20 5 GHBDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000746711498 877685917 /nfs/dbraw/zinc/68/59/17/877685917.db2.gz JCCPPGYDGBBGOS-XLIONFOSSA-N 1 1 393.443 3.807 20 5 GHBDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000179630059 877760138 /nfs/dbraw/zinc/76/01/38/877760138.db2.gz JTFGFMVIVZOOSY-MEDUHNTESA-N 1 1 393.390 3.950 20 5 GHBDMO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1F ZINC000179621376 877779759 /nfs/dbraw/zinc/77/97/59/877779759.db2.gz MZOIBXPOLQUHJD-KRWDZBQOSA-N 1 1 375.375 3.503 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451345917 877795550 /nfs/dbraw/zinc/79/55/50/877795550.db2.gz RKHIATJCQJXBBZ-RNJTYBCJSA-N 1 1 386.452 3.721 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000530554935 878051464 /nfs/dbraw/zinc/05/14/64/878051464.db2.gz BXAWPZDKAHAPIT-BHYGNILZSA-N 1 1 376.453 3.547 20 5 GHBDMO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553208 878137721 /nfs/dbraw/zinc/13/77/21/878137721.db2.gz XVHVYCLTVPDDGY-DOTOQJQBSA-N 1 1 385.468 3.579 20 5 GHBDMO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553208 878137729 /nfs/dbraw/zinc/13/77/29/878137729.db2.gz XVHVYCLTVPDDGY-DOTOQJQBSA-N 1 1 385.468 3.579 20 5 GHBDMO CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000776581740 878201148 /nfs/dbraw/zinc/20/11/48/878201148.db2.gz LOMQHCAXSUUDNB-WTNAPCKOSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000776581740 878201165 /nfs/dbraw/zinc/20/11/65/878201165.db2.gz LOMQHCAXSUUDNB-WTNAPCKOSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000776581740 878201174 /nfs/dbraw/zinc/20/11/74/878201174.db2.gz LOMQHCAXSUUDNB-WTNAPCKOSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[C@@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591062 878267238 /nfs/dbraw/zinc/26/72/38/878267238.db2.gz AMMBAKTYJLLRQE-AUUYWEPGSA-N 1 1 396.447 3.578 20 5 GHBDMO CC[C@@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591062 878267252 /nfs/dbraw/zinc/26/72/52/878267252.db2.gz AMMBAKTYJLLRQE-AUUYWEPGSA-N 1 1 396.447 3.578 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)cc1 ZINC000776591607 878298444 /nfs/dbraw/zinc/29/84/44/878298444.db2.gz KZUHRXFQAIBJDH-SFTDATJTSA-N 1 1 398.484 3.926 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852596961 878449499 /nfs/dbraw/zinc/44/94/99/878449499.db2.gz PUICKMZIYMVNEU-HBUWYVDXSA-N 1 1 395.887 3.856 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852596961 878449503 /nfs/dbraw/zinc/44/95/03/878449503.db2.gz PUICKMZIYMVNEU-HBUWYVDXSA-N 1 1 395.887 3.856 20 5 GHBDMO C[C@H](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000530856327 878624225 /nfs/dbraw/zinc/62/42/25/878624225.db2.gz DSNFUAAZCIUMEM-CQSZACIVSA-N 1 1 381.436 3.566 20 5 GHBDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000789357462 878845699 /nfs/dbraw/zinc/84/56/99/878845699.db2.gz JKZLBHRWWCRRIV-HNNXBMFYSA-N 1 1 385.420 3.623 20 5 GHBDMO COc1cc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)ccc1OCc1ccccc1 ZINC000538153075 878921898 /nfs/dbraw/zinc/92/18/98/878921898.db2.gz LNEGPINPZRBVFX-HNNXBMFYSA-N 1 1 396.447 3.767 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000538215843 879031328 /nfs/dbraw/zinc/03/13/28/879031328.db2.gz NTAKPQJVJLPBLS-INIZCTEOSA-N 1 1 393.390 3.951 20 5 GHBDMO COc1ccc(C2CC[NH+](Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)CC2)cc1 ZINC000853499879 879066824 /nfs/dbraw/zinc/06/68/24/879066824.db2.gz MOIDYWNKWXWMPN-UHFFFAOYSA-N 1 1 393.447 3.699 20 5 GHBDMO Cc1noc([C@@H]2CCCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000285748873 912419744 /nfs/dbraw/zinc/41/97/44/912419744.db2.gz RMCSUNPMQDMNMC-INIZCTEOSA-N 1 1 383.408 3.711 20 5 GHBDMO Cc1noc([C@@H]2CCCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000285748873 912419752 /nfs/dbraw/zinc/41/97/52/912419752.db2.gz RMCSUNPMQDMNMC-INIZCTEOSA-N 1 1 383.408 3.711 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761505989 879210156 /nfs/dbraw/zinc/21/01/56/879210156.db2.gz KPVAYLQPAZODEQ-AWEZNQCLSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761505989 879210175 /nfs/dbraw/zinc/21/01/75/879210175.db2.gz KPVAYLQPAZODEQ-AWEZNQCLSA-N 1 1 383.876 3.985 20 5 GHBDMO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@@](C)(C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000475678011 879607829 /nfs/dbraw/zinc/60/78/29/879607829.db2.gz HCGQSONWIMMULD-HXUWFJFHSA-N 1 1 385.489 3.752 20 5 GHBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302237529 879621285 /nfs/dbraw/zinc/62/12/85/879621285.db2.gz GOPZVRWTFIWIJL-NSHDSACASA-N 1 1 394.825 3.705 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1F ZINC000854237003 879652271 /nfs/dbraw/zinc/65/22/71/879652271.db2.gz QTNDSZVCDKBXRF-CQSZACIVSA-N 1 1 393.390 3.731 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1F ZINC000790549821 879807202 /nfs/dbraw/zinc/80/72/02/879807202.db2.gz CKAUKFWBJXPRNQ-ACJLOTCBSA-N 1 1 391.468 3.917 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000494048579 879853030 /nfs/dbraw/zinc/85/30/30/879853030.db2.gz LGTKWZSBOMRSGP-FTRWYGJKSA-N 1 1 399.516 3.855 20 5 GHBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C[C@@H]21 ZINC000452976825 880266804 /nfs/dbraw/zinc/26/68/04/880266804.db2.gz PPRWEBJODMHHFP-BEFAXECRSA-N 1 1 383.473 3.522 20 5 GHBDMO CCOC(=O)CC[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774637207 912564819 /nfs/dbraw/zinc/56/48/19/912564819.db2.gz AFPKLPFNIRMWMB-ZDUSSCGKSA-N 1 1 394.859 3.611 20 5 GHBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774637207 912564835 /nfs/dbraw/zinc/56/48/35/912564835.db2.gz AFPKLPFNIRMWMB-ZDUSSCGKSA-N 1 1 394.859 3.611 20 5 GHBDMO COc1cc(F)cc(C[C@@H](C)[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000453381519 880836153 /nfs/dbraw/zinc/83/61/53/880836153.db2.gz BCRGGVGFBGZOLA-VLIAUNLRSA-N 1 1 398.438 3.786 20 5 GHBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000792476350 881133090 /nfs/dbraw/zinc/13/30/90/881133090.db2.gz UNNBIGURYIUVBQ-UHFFFAOYSA-N 1 1 396.241 3.808 20 5 GHBDMO CCC[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)[C@@H]1CCc2ccccc2C1 ZINC000919950780 881239177 /nfs/dbraw/zinc/23/91/77/881239177.db2.gz MSKUUGMAJWXYSB-OAHLLOKOSA-N 1 1 393.285 3.781 20 5 GHBDMO Cc1ccc(NC(=O)NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)c1 ZINC000064350351 883163111 /nfs/dbraw/zinc/16/31/11/883163111.db2.gz GGOHPRLDTZXEJH-UHFFFAOYSA-N 1 1 398.463 3.770 20 5 GHBDMO Cc1ccc(NC(=O)NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)c1 ZINC000064350351 883163118 /nfs/dbraw/zinc/16/31/18/883163118.db2.gz GGOHPRLDTZXEJH-UHFFFAOYSA-N 1 1 398.463 3.770 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609730016 883583119 /nfs/dbraw/zinc/58/31/19/883583119.db2.gz JXGUQISBLBVPLH-OAHLLOKOSA-N 1 1 397.903 3.788 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000565598109 883676793 /nfs/dbraw/zinc/67/67/93/883676793.db2.gz QQUYOOMHLBFFDQ-CQSZACIVSA-N 1 1 393.390 3.632 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000609787714 883681924 /nfs/dbraw/zinc/68/19/24/883681924.db2.gz VGDLOUDJVHXTKO-SFHVURJKSA-N 1 1 387.867 3.572 20 5 GHBDMO CC(C)(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000914528128 884039675 /nfs/dbraw/zinc/03/96/75/884039675.db2.gz WWBSGGRATLTSNW-UHFFFAOYSA-N 1 1 387.867 3.815 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000805793709 884077734 /nfs/dbraw/zinc/07/77/34/884077734.db2.gz LWRBYULRQQEXGR-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000805793709 884077767 /nfs/dbraw/zinc/07/77/67/884077767.db2.gz LWRBYULRQQEXGR-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000897987655 884547144 /nfs/dbraw/zinc/54/71/44/884547144.db2.gz SZYRHVBDQODJQU-LBPRGKRZSA-N 1 1 399.234 3.509 20 5 GHBDMO CC[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000914735851 884652259 /nfs/dbraw/zinc/65/22/59/884652259.db2.gz XCGZIWJXOFKODN-QGZVFWFLSA-N 1 1 387.867 3.815 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000487850871 884710593 /nfs/dbraw/zinc/71/05/93/884710593.db2.gz MFDAESJPVBWJKW-INIZCTEOSA-N 1 1 376.501 3.784 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109764686 884945748 /nfs/dbraw/zinc/94/57/48/884945748.db2.gz FZKBMURBEPRVIW-UHFFFAOYSA-N 1 1 393.447 3.598 20 5 GHBDMO CC(C)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1Cl ZINC000556512629 885207257 /nfs/dbraw/zinc/20/72/57/885207257.db2.gz KTZLBPYOZGSGJM-ZBFHGGJFSA-N 1 1 380.876 3.525 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000498731858 885502770 /nfs/dbraw/zinc/50/27/70/885502770.db2.gz BBOAINSCRMHJPI-UHFFFAOYSA-N 1 1 377.485 3.578 20 5 GHBDMO C[C@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127504389 885932357 /nfs/dbraw/zinc/93/23/57/885932357.db2.gz FYECJJKRGQHQDG-LPHOPBHVSA-N 1 1 399.466 3.693 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000532574470 886146512 /nfs/dbraw/zinc/14/65/12/886146512.db2.gz JWAUQCSVUZDCFL-YQQAZPJKSA-N 1 1 383.448 3.808 20 5 GHBDMO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000556870502 886420681 /nfs/dbraw/zinc/42/06/81/886420681.db2.gz NXRBSOLCLQMTJV-IPMKNSEASA-N 1 1 384.480 3.745 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000556870079 886423855 /nfs/dbraw/zinc/42/38/55/886423855.db2.gz CBCUAYAEHALXGS-NRFANRHFSA-N 1 1 393.491 3.659 20 5 GHBDMO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000762632734 886574585 /nfs/dbraw/zinc/57/45/85/886574585.db2.gz JAXOJTFXVANWCI-BDJLRTHQSA-N 1 1 388.811 3.682 20 5 GHBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC001131753681 887523033 /nfs/dbraw/zinc/52/30/33/887523033.db2.gz KARICUWADWHNPT-GOSISDBHSA-N 1 1 397.450 3.766 20 5 GHBDMO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272493681 887590643 /nfs/dbraw/zinc/59/06/43/887590643.db2.gz FGVJYVVPGFDBDP-JSNMRZPZSA-N 1 1 398.438 3.659 20 5 GHBDMO Cc1ccccc1[C@H](O)C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000809701941 887704096 /nfs/dbraw/zinc/70/40/96/887704096.db2.gz ANOUAZDGKRJFEY-JOCHJYFZSA-N 1 1 398.459 3.620 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCOc1ccc(F)cc1 ZINC000015101652 887735908 /nfs/dbraw/zinc/73/59/08/887735908.db2.gz ROOSQUVHBNLQCC-LBPRGKRZSA-N 1 1 395.818 3.725 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000015101652 887735921 /nfs/dbraw/zinc/73/59/21/887735921.db2.gz ROOSQUVHBNLQCC-LBPRGKRZSA-N 1 1 395.818 3.725 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809911314 887930966 /nfs/dbraw/zinc/93/09/66/887930966.db2.gz LMYMCFQQOCBVPU-HNNXBMFYSA-N 1 1 388.855 3.986 20 5 GHBDMO C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1Cc1ccccc1 ZINC000809916395 887942231 /nfs/dbraw/zinc/94/22/31/887942231.db2.gz IRHPUGMIFJXEGI-HNNXBMFYSA-N 1 1 388.855 3.639 20 5 GHBDMO C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1Cc1ccccc1 ZINC000809916395 887942258 /nfs/dbraw/zinc/94/22/58/887942258.db2.gz IRHPUGMIFJXEGI-HNNXBMFYSA-N 1 1 388.855 3.639 20 5 GHBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000810846176 888938753 /nfs/dbraw/zinc/93/87/53/888938753.db2.gz XLUHQZADNMYJJJ-PKOBYXMFSA-N 1 1 396.443 3.957 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488104736 888955395 /nfs/dbraw/zinc/95/53/95/888955395.db2.gz NGGZYVNKRHLXMR-UHFFFAOYSA-N 1 1 386.496 3.718 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000287425182 913328281 /nfs/dbraw/zinc/32/82/81/913328281.db2.gz PFHKTHKCSOTDAX-CQSZACIVSA-N 1 1 384.358 3.852 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000287425182 913328295 /nfs/dbraw/zinc/32/82/95/913328295.db2.gz PFHKTHKCSOTDAX-CQSZACIVSA-N 1 1 384.358 3.852 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCc3ccc(F)cc3)C3CC3)n2)cc1 ZINC000532976073 889438539 /nfs/dbraw/zinc/43/85/39/889438539.db2.gz ZZHPDBFMNNEHTD-UHFFFAOYSA-N 1 1 382.395 3.991 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000795103197 890266790 /nfs/dbraw/zinc/26/67/90/890266790.db2.gz PMZIBAUMORFKHL-XJKSGUPXSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000795103197 890266799 /nfs/dbraw/zinc/26/67/99/890266799.db2.gz PMZIBAUMORFKHL-XJKSGUPXSA-N 1 1 379.432 3.565 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533374792 890374713 /nfs/dbraw/zinc/37/47/13/890374713.db2.gz XJBKTYLBQMAOQI-ZIFCJYIRSA-N 1 1 388.512 3.569 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000455168876 890416223 /nfs/dbraw/zinc/41/62/23/890416223.db2.gz LVYGUWFUOMCVAC-INIZCTEOSA-N 1 1 398.463 3.589 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000533429134 890540750 /nfs/dbraw/zinc/54/07/50/890540750.db2.gz NGGJOQMIGWDKDU-FSPWUOQZSA-N 1 1 395.887 3.712 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(N[C@H](C[NH+]3CCOCC3)c3ccccc3)ccc2c1 ZINC000301190908 890785179 /nfs/dbraw/zinc/78/51/79/890785179.db2.gz LQLVETYYIRODQT-HXUWFJFHSA-N 1 1 378.432 3.628 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812833093 891016260 /nfs/dbraw/zinc/01/62/60/891016260.db2.gz YIODCPLJQHNNEN-AWEZNQCLSA-N 1 1 394.258 3.906 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)c2c1 ZINC001184926224 913539364 /nfs/dbraw/zinc/53/93/64/913539364.db2.gz DDPFFCYGRFKWRI-XHSDSOJGSA-N 1 1 384.480 3.993 20 5 GHBDMO COc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1C1CC1 ZINC000813173937 891337161 /nfs/dbraw/zinc/33/71/61/891337161.db2.gz MMMVPJGXCKYWEZ-IBGZPJMESA-N 1 1 396.443 3.912 20 5 GHBDMO COc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1C1CC1 ZINC000813173937 891337178 /nfs/dbraw/zinc/33/71/78/891337178.db2.gz MMMVPJGXCKYWEZ-IBGZPJMESA-N 1 1 396.443 3.912 20 5 GHBDMO C[C@]([NH3+])(c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1cccc2ccccc21 ZINC001212042009 891395346 /nfs/dbraw/zinc/39/53/46/891395346.db2.gz NAXZWQCPZPCIGQ-LJQANCHMSA-N 1 1 379.351 3.554 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C2CCCCC2)CC1 ZINC000917131273 891398844 /nfs/dbraw/zinc/39/88/44/891398844.db2.gz NWHGNTIVAHLXAK-UHFFFAOYSA-N 1 1 375.469 3.834 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCOc1ccccc1 ZINC000016561191 891976263 /nfs/dbraw/zinc/97/62/63/891976263.db2.gz SKDPSSMTFZJZQX-ZDUSSCGKSA-N 1 1 377.828 3.586 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCOc1ccccc1 ZINC000016561191 891976273 /nfs/dbraw/zinc/97/62/73/891976273.db2.gz SKDPSSMTFZJZQX-ZDUSSCGKSA-N 1 1 377.828 3.586 20 5 GHBDMO Cn1cc[nH+]c1[C@H]1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877481176 893636710 /nfs/dbraw/zinc/63/67/10/893636710.db2.gz XHATUVFTPCMDPI-JTQLQIEISA-N 1 1 385.287 3.532 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000563823999 894231591 /nfs/dbraw/zinc/23/15/91/894231591.db2.gz NVTNBQQBMVCNSO-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO C[C@@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000564005854 894442925 /nfs/dbraw/zinc/44/29/25/894442925.db2.gz QYGDENZRRYAPOZ-DLBZAZTESA-N 1 1 399.466 3.960 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@@H](c3ccncc3)C2)o1 ZINC000878629674 894467409 /nfs/dbraw/zinc/46/74/09/894467409.db2.gz HZDVHEMBCCSUNA-CYBMUJFWSA-N 1 1 385.811 3.683 20 5 GHBDMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000564713714 895205478 /nfs/dbraw/zinc/20/54/78/895205478.db2.gz RHKIKYDIBPRVLW-JKSUJKDBSA-N 1 1 387.505 3.788 20 5 GHBDMO Cc1c(Cn2cc(C[NH2+][C@@H]3CCCc4ccccc43)nn2)cccc1[N+](=O)[O-] ZINC000881195480 896233709 /nfs/dbraw/zinc/23/37/09/896233709.db2.gz KSWSVFTTXZJIEN-HXUWFJFHSA-N 1 1 377.448 3.710 20 5 GHBDMO C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778533065 896272268 /nfs/dbraw/zinc/27/22/68/896272268.db2.gz YQDIKSPRLYCNNF-DOTOQJQBSA-N 1 1 384.505 3.792 20 5 GHBDMO COc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000567154316 896920516 /nfs/dbraw/zinc/92/05/16/896920516.db2.gz MWJMUHGNDVBFAU-GOSISDBHSA-N 1 1 397.475 3.636 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC4(CC3)OCCc3ccsc34)c2c1 ZINC000778576990 896948569 /nfs/dbraw/zinc/94/85/69/896948569.db2.gz POGUWPONAXYUPC-UHFFFAOYSA-N 1 1 384.461 3.528 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000568540138 897920833 /nfs/dbraw/zinc/92/08/33/897920833.db2.gz CXCRDDLXFNHSPB-INIZCTEOSA-N 1 1 375.513 3.889 20 5 GHBDMO COc1cc(C[NH2+]Cc2cnc(C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000105448571 898209849 /nfs/dbraw/zinc/20/98/49/898209849.db2.gz QBIWULOMTQWMCV-UHFFFAOYSA-N 1 1 391.371 3.599 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1F ZINC000823268328 898930254 /nfs/dbraw/zinc/93/02/54/898930254.db2.gz HZYFSWHADJWWRX-DZGCQCFKSA-N 1 1 389.402 3.747 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823986720 899342132 /nfs/dbraw/zinc/34/21/32/899342132.db2.gz LPNYBDAMALLZAG-KRWDZBQOSA-N 1 1 397.479 3.553 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)o2)cc1 ZINC000289771682 914338824 /nfs/dbraw/zinc/33/88/24/914338824.db2.gz RIAJGPCYESSCEM-XJKSGUPXSA-N 1 1 384.354 3.848 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)c1F ZINC000824076588 899382025 /nfs/dbraw/zinc/38/20/25/899382025.db2.gz VVYYYOFMMLYQIZ-UHFFFAOYSA-N 1 1 392.456 3.908 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000332410290 899647370 /nfs/dbraw/zinc/64/73/70/899647370.db2.gz QVGYAPLHLKAJFH-VBQJREDUSA-N 1 1 379.888 3.655 20 5 GHBDMO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000801549289 921120960 /nfs/dbraw/zinc/12/09/60/921120960.db2.gz JBXADZVFVDUHKU-OAQYLSRUSA-N 1 1 398.438 3.686 20 5 GHBDMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000801549289 921120968 /nfs/dbraw/zinc/12/09/68/921120968.db2.gz JBXADZVFVDUHKU-OAQYLSRUSA-N 1 1 398.438 3.686 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000264268516 902979101 /nfs/dbraw/zinc/97/91/01/902979101.db2.gz FQYLISZSRZRSLH-KRWDZBQOSA-N 1 1 399.516 3.611 20 5 GHBDMO COCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC000132028775 903196786 /nfs/dbraw/zinc/19/67/86/903196786.db2.gz RSBXPFSKMXLUPZ-KRWDZBQOSA-N 1 1 391.399 3.639 20 5 GHBDMO CN(C(=O)CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000577869337 903288813 /nfs/dbraw/zinc/28/88/13/903288813.db2.gz FVLUTHQOMCYGEP-FQEVSTJZSA-N 1 1 399.516 3.955 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000601304324 903555186 /nfs/dbraw/zinc/55/51/86/903555186.db2.gz NLDWWOHKWLJECP-OALUTQOASA-N 1 1 384.480 3.747 20 5 GHBDMO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000159736495 904012429 /nfs/dbraw/zinc/01/24/29/904012429.db2.gz HVLDMIRCMWQAGT-UHFFFAOYSA-N 1 1 382.873 3.596 20 5 GHBDMO CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000159736495 904012445 /nfs/dbraw/zinc/01/24/45/904012445.db2.gz HVLDMIRCMWQAGT-UHFFFAOYSA-N 1 1 382.873 3.596 20 5 GHBDMO C[C@@H](c1cccc(Nc2ncnc3sc([N+](=O)[O-])cc32)c1)[NH+]1CCOCC1 ZINC000578683112 904047963 /nfs/dbraw/zinc/04/79/63/904047963.db2.gz LKRLDJPOSOWVPV-LBPRGKRZSA-N 1 1 385.449 3.736 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000578704012 904065874 /nfs/dbraw/zinc/06/58/74/904065874.db2.gz KCWIURQDRAOIFH-QGZVFWFLSA-N 1 1 385.439 3.766 20 5 GHBDMO CC[C@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(C)cs1 ZINC000173941807 905167112 /nfs/dbraw/zinc/16/71/12/905167112.db2.gz BFCFULSEVLTARW-INIZCTEOSA-N 1 1 382.873 3.867 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000801600839 921179335 /nfs/dbraw/zinc/17/93/35/921179335.db2.gz UNDKDSVQQBGNAN-UHFFFAOYSA-N 1 1 377.485 3.716 20 5 GHBDMO O=C1N(CC2CC2)CC[C@@]12CCC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172906031 905931244 /nfs/dbraw/zinc/93/12/44/905931244.db2.gz FOKUORQFWIVMQX-NZQKXSOJSA-N 1 1 397.519 3.567 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cnn(CC)c21 ZINC001172909027 905965075 /nfs/dbraw/zinc/96/50/75/905965075.db2.gz QPBUESMAMAPCHU-PMACEKPBSA-N 1 1 398.507 3.695 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCOC4(CCCCC4)C3)CC2)c(F)c1 ZINC001173015167 906092728 /nfs/dbraw/zinc/09/27/28/906092728.db2.gz JYCOPXRUCGDCGK-UHFFFAOYSA-N 1 1 395.450 3.877 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1F ZINC001173187593 906267579 /nfs/dbraw/zinc/26/75/79/906267579.db2.gz ANZHTEHGDQOHRK-CZUORRHYSA-N 1 1 392.402 3.966 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCN(c3cccc(F)c3)CC2)c1F ZINC001173191414 906274119 /nfs/dbraw/zinc/27/41/19/906274119.db2.gz DXUNVPPPHOCJGX-AWEZNQCLSA-N 1 1 391.418 3.635 20 5 GHBDMO CCOC(=O)C[C@@H]1CC[N@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001173191262 906274292 /nfs/dbraw/zinc/27/42/92/906274292.db2.gz BZYGLBHKLZPDLU-ZNMIVQPWSA-N 1 1 396.459 3.585 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](Cc2ccccc2)CC(C)(C)O)c1F ZINC001173193691 906277790 /nfs/dbraw/zinc/27/77/90/906277790.db2.gz VCWIGZDXIBEFIG-HNNXBMFYSA-N 1 1 390.455 3.947 20 5 GHBDMO COc1cccc(CC[N@@H+](C)[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173196505 906280953 /nfs/dbraw/zinc/28/09/53/906280953.db2.gz NCZWRSLEMIIYCI-AWEZNQCLSA-N 1 1 376.428 3.857 20 5 GHBDMO CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173222233 906301153 /nfs/dbraw/zinc/30/11/53/906301153.db2.gz QUBMOQJTSYOJDS-INIZCTEOSA-N 1 1 382.460 3.690 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001173228593 906313198 /nfs/dbraw/zinc/31/31/98/906313198.db2.gz RMYYCVMMINIZQP-FYINFDKHSA-N 1 1 397.450 3.511 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001173230050 906314063 /nfs/dbraw/zinc/31/40/63/906314063.db2.gz YRNAQBHVLFDARV-SZVBFZGTSA-N 1 1 386.521 3.579 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173231275 906316835 /nfs/dbraw/zinc/31/68/35/906316835.db2.gz ANKPGIBIPVHAPH-WBVHZDCISA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001173233683 906320862 /nfs/dbraw/zinc/32/08/62/906320862.db2.gz MANPMBIIQAOAFU-BPQIPLTHSA-N 1 1 389.496 3.715 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC(F)F ZINC000180453011 906774375 /nfs/dbraw/zinc/77/43/75/906774375.db2.gz TUBAAGKFBJNZBC-SNVBAGLBSA-N 1 1 397.334 3.964 20 5 GHBDMO COc1cc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc([N+](=O)[O-])c1C ZINC000191301134 906858897 /nfs/dbraw/zinc/85/88/97/906858897.db2.gz VANWVGUQAVESAM-OAHLLOKOSA-N 1 1 399.447 3.557 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001174832234 907229663 /nfs/dbraw/zinc/22/96/63/907229663.db2.gz KTQQVMSEIMXLAD-FUHWJXTLSA-N 1 1 399.516 3.775 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001175924031 907830363 /nfs/dbraw/zinc/83/03/63/907830363.db2.gz CFZALVWQNXMFEK-HNNXBMFYSA-N 1 1 385.468 3.650 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC001175924031 907830378 /nfs/dbraw/zinc/83/03/78/907830378.db2.gz CFZALVWQNXMFEK-HNNXBMFYSA-N 1 1 385.468 3.650 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC001175924031 907830396 /nfs/dbraw/zinc/83/03/96/907830396.db2.gz CFZALVWQNXMFEK-HNNXBMFYSA-N 1 1 385.468 3.650 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000773626065 908461757 /nfs/dbraw/zinc/46/17/57/908461757.db2.gz TXOCKOURRFPIAQ-UHFFFAOYSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000773631410 908486790 /nfs/dbraw/zinc/48/67/90/908486790.db2.gz BDDMSAOKKPAPPE-UHFFFAOYSA-N 1 1 375.469 3.818 20 5 GHBDMO Cc1cc(CC(=O)Nc2cc3[nH+]c4cc(N(C)C)ccc4cc3cc2C)nn1C ZINC001177891557 908785144 /nfs/dbraw/zinc/78/51/44/908785144.db2.gz JYULKZBUVHEMNM-UHFFFAOYSA-N 1 1 387.487 3.986 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC001178295240 908992008 /nfs/dbraw/zinc/99/20/08/908992008.db2.gz MUMXJRXFVUWQTM-UHFFFAOYSA-N 1 1 378.812 3.708 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@@H](COc4ccccc4)C3)c2c(Cl)c1 ZINC000779886154 909061553 /nfs/dbraw/zinc/06/15/53/909061553.db2.gz UYJZFEDKVKJFFU-CQSZACIVSA-N 1 1 386.839 3.956 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@@H](COc4ccccc4)C3)c2c(Cl)c1 ZINC000779886154 909061567 /nfs/dbraw/zinc/06/15/67/909061567.db2.gz UYJZFEDKVKJFFU-CQSZACIVSA-N 1 1 386.839 3.956 20 5 GHBDMO Cc1cc(N2CCC(Nc3ccc([N+](=O)[O-])c4cnccc34)CC2)nc(C)[nH+]1 ZINC000267433644 909497301 /nfs/dbraw/zinc/49/73/01/909497301.db2.gz XHBOSZLJCFSQAS-UHFFFAOYSA-N 1 1 378.436 3.631 20 5 GHBDMO CCC[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000268818507 910030891 /nfs/dbraw/zinc/03/08/91/910030891.db2.gz GCHHSNHHUUEUPS-OAQYLSRUSA-N 1 1 398.507 3.517 20 5 GHBDMO CC[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@H](C)C(C)C ZINC000795411833 910256930 /nfs/dbraw/zinc/25/69/30/910256930.db2.gz COSXEWPCECXHCR-LLVKDONJSA-N 1 1 384.274 3.637 20 5 GHBDMO O=C(c1cc(F)ccc1F)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269697372 910337054 /nfs/dbraw/zinc/33/70/54/910337054.db2.gz WXQJCMCGKKWKEZ-LJQANCHMSA-N 1 1 390.386 3.501 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000274129612 911234758 /nfs/dbraw/zinc/23/47/58/911234758.db2.gz DVGKHSRBLZSNKZ-SCLBCKFNSA-N 1 1 389.402 3.513 20 5 GHBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091934810 911346859 /nfs/dbraw/zinc/34/68/59/911346859.db2.gz SZIRHDRJQBZEFN-VQHVLOKHSA-N 1 1 375.469 3.939 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000774516263 911843581 /nfs/dbraw/zinc/84/35/81/911843581.db2.gz HZZOJNWNHAJVKQ-QAPCUYQASA-N 1 1 394.475 3.734 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1Cl ZINC000774518727 911887271 /nfs/dbraw/zinc/88/72/71/911887271.db2.gz QXWXQQIJTRDZAL-HZSPNIEDSA-N 1 1 395.887 3.876 20 5 GHBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1 ZINC000362336324 917215375 /nfs/dbraw/zinc/21/53/75/917215375.db2.gz ODXQZJRQTLVWIS-WMLDXEAASA-N 1 1 385.489 3.814 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)OCc1ccccc1 ZINC000796459331 917519857 /nfs/dbraw/zinc/51/98/57/917519857.db2.gz OLSZNWQAPAUMSQ-FQEVSTJZSA-N 1 1 397.475 3.776 20 5 GHBDMO O=C1[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001190855108 917604576 /nfs/dbraw/zinc/60/45/76/917604576.db2.gz NUMUDQCKXAMXTR-GHTZIAJQSA-N 1 1 379.460 3.655 20 5 GHBDMO Cc1ccc(C(C)(C)C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC001191246386 917877101 /nfs/dbraw/zinc/87/71/01/917877101.db2.gz VRWPQTURVCJVSP-UHFFFAOYSA-N 1 1 381.476 3.702 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296479187 918314601 /nfs/dbraw/zinc/31/46/01/918314601.db2.gz AEHDRPFKXOZFHK-HNNXBMFYSA-N 1 1 384.436 3.612 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)o1 ZINC001192116021 918421063 /nfs/dbraw/zinc/42/10/63/918421063.db2.gz KSOHRRIBRZCMID-UYAOXDASSA-N 1 1 394.431 3.733 20 5 GHBDMO Cc1ccnc(C2CC[NH+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000363793419 918869236 /nfs/dbraw/zinc/86/92/36/918869236.db2.gz IHZNJEYVWOLBKB-AWEZNQCLSA-N 1 1 394.435 3.684 20 5 GHBDMO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000363797455 918874188 /nfs/dbraw/zinc/87/41/88/918874188.db2.gz OVUHHZRJGRXYGY-BDJLRTHQSA-N 1 1 388.811 3.682 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000117342138 919540167 /nfs/dbraw/zinc/54/01/67/919540167.db2.gz OKRICNFHGFJDEM-GOSISDBHSA-N 1 1 399.472 3.683 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000370494353 924127713 /nfs/dbraw/zinc/12/77/13/924127713.db2.gz CGGXEQFICLBCDL-UHFFFAOYSA-N 1 1 399.278 3.816 20 5 GHBDMO O=C([C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001137280232 924209142 /nfs/dbraw/zinc/20/91/42/924209142.db2.gz MKFZMHBZBRLFFR-OAQYLSRUSA-N 1 1 397.450 3.673 20 5 GHBDMO O=C([C@H]1CCCC[N@H+]1Cc1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001137280232 924209154 /nfs/dbraw/zinc/20/91/54/924209154.db2.gz MKFZMHBZBRLFFR-OAQYLSRUSA-N 1 1 397.450 3.673 20 5 GHBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000410056383 925279992 /nfs/dbraw/zinc/27/99/92/925279992.db2.gz YDNCXOBDHXQQCN-FQEVSTJZSA-N 1 1 381.476 3.798 20 5 GHBDMO O=C(c1cnn(-c2cc[nH+]cc2)c1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000410440410 925653597 /nfs/dbraw/zinc/65/35/97/925653597.db2.gz GYYJIHYXGMHAMR-UHFFFAOYSA-N 1 1 377.404 3.765 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1F ZINC000827714419 925935614 /nfs/dbraw/zinc/93/56/14/925935614.db2.gz CMVHAMYJJIKMTC-GJZGRUSLSA-N 1 1 395.450 3.908 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000411172152 926159967 /nfs/dbraw/zinc/15/99/67/926159967.db2.gz KQTKDLXQSVDOLE-GFCCVEGCSA-N 1 1 393.390 3.903 20 5 GHBDMO CCCN(Cn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000725782757 926436889 /nfs/dbraw/zinc/43/68/89/926436889.db2.gz NNYSYLGVHBYXEJ-FQEVSTJZSA-N 1 1 385.512 3.742 20 5 GHBDMO CC[C@@H](C)[N@H+](Cc1ccccc1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586164 926744674 /nfs/dbraw/zinc/74/46/74/926744674.db2.gz HOIMDRCORGBKCZ-MRXNPFEDSA-N 1 1 396.447 3.622 20 5 GHBDMO Cc1nn(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749950366 927367449 /nfs/dbraw/zinc/36/74/49/927367449.db2.gz LJKKGKSPPKVYRH-UHFFFAOYSA-N 1 1 387.390 3.763 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000750055399 927407881 /nfs/dbraw/zinc/40/78/81/927407881.db2.gz FHHRDUBCTBNBHK-CVEARBPZSA-N 1 1 391.468 3.577 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000750055399 927407885 /nfs/dbraw/zinc/40/78/85/927407885.db2.gz FHHRDUBCTBNBHK-CVEARBPZSA-N 1 1 391.468 3.577 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750097446 927432527 /nfs/dbraw/zinc/43/25/27/927432527.db2.gz WBXWYFGUPAYYJW-UXHICEINSA-N 1 1 380.448 3.742 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750097446 927432561 /nfs/dbraw/zinc/43/25/61/927432561.db2.gz WBXWYFGUPAYYJW-UXHICEINSA-N 1 1 380.448 3.742 20 5 GHBDMO O=C(C[NH+]1CCC(c2ccc(F)cc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000752343608 928777819 /nfs/dbraw/zinc/77/78/19/928777819.db2.gz ZKHXBJZIMFMOAU-UHFFFAOYSA-N 1 1 383.423 3.503 20 5 GHBDMO CO[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC[C@@H]1C ZINC000467291748 928924450 /nfs/dbraw/zinc/92/44/50/928924450.db2.gz XYBKGQGICVIJOQ-ZLGUVYLKSA-N 1 1 397.475 3.940 20 5 GHBDMO CO[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC[C@@H]1C ZINC000467291748 928924456 /nfs/dbraw/zinc/92/44/56/928924456.db2.gz XYBKGQGICVIJOQ-ZLGUVYLKSA-N 1 1 397.475 3.940 20 5 GHBDMO CCOC(=O)CC[C@@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000752799227 929027245 /nfs/dbraw/zinc/02/72/45/929027245.db2.gz XNOHCYJYUODHJL-ZDUSSCGKSA-N 1 1 393.465 3.885 20 5 GHBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000752799227 929027259 /nfs/dbraw/zinc/02/72/59/929027259.db2.gz XNOHCYJYUODHJL-ZDUSSCGKSA-N 1 1 393.465 3.885 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000467690206 929306129 /nfs/dbraw/zinc/30/61/29/929306129.db2.gz CCJRBQCWZQGZAK-BEFAXECRSA-N 1 1 394.475 3.562 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@H+]1Cc1ccccc1 ZINC000467697997 929313249 /nfs/dbraw/zinc/31/32/49/929313249.db2.gz ODQWLRKRHNWJOB-PBHICJAKSA-N 1 1 379.416 3.734 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000467717224 929334204 /nfs/dbraw/zinc/33/42/04/929334204.db2.gz ZTYIHOOZNWSCHK-LIRRHRJNSA-N 1 1 381.432 3.600 20 5 GHBDMO Cc1c(CC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000469482571 929929486 /nfs/dbraw/zinc/92/94/86/929929486.db2.gz VLHXSINAAAWSKJ-HXUWFJFHSA-N 1 1 383.492 3.719 20 5 GHBDMO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000758252763 929988720 /nfs/dbraw/zinc/98/87/20/929988720.db2.gz SPZBKACUNYWPRR-VMIKWKOGSA-N 1 1 381.432 3.638 20 5 GHBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000758268951 929996794 /nfs/dbraw/zinc/99/67/94/929996794.db2.gz VAOIUOJAUGVYCG-FXAWDEMLSA-N 1 1 384.411 3.893 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546578394 930274490 /nfs/dbraw/zinc/27/44/90/930274490.db2.gz PMTPXUZKEDRRIW-HLLBOEOZSA-N 1 1 391.487 3.875 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000470209274 930453683 /nfs/dbraw/zinc/45/36/83/930453683.db2.gz YOBAQBDQHUJFAA-YBEGLDIGSA-N 1 1 375.432 3.814 20 5 GHBDMO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780768902 930594837 /nfs/dbraw/zinc/59/48/37/930594837.db2.gz VQLFVYNSOABWJB-XPGWFJOJSA-N 1 1 380.448 3.520 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470802677 930925663 /nfs/dbraw/zinc/92/56/63/930925663.db2.gz BHCHJQIIOFFKMB-ILXRZTDVSA-N 1 1 378.473 3.657 20 5 GHBDMO O=C(OC[C@H]1CCC[N@@H+]1Cc1ccco1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781827571 930994957 /nfs/dbraw/zinc/99/49/57/930994957.db2.gz XCCLZLFLIYPBAU-CYBMUJFWSA-N 1 1 396.346 3.611 20 5 GHBDMO O=C(OC[C@H]1CCC[N@H+]1Cc1ccco1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781827571 930994960 /nfs/dbraw/zinc/99/49/60/930994960.db2.gz XCCLZLFLIYPBAU-CYBMUJFWSA-N 1 1 396.346 3.611 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000471006129 931091051 /nfs/dbraw/zinc/09/10/51/931091051.db2.gz MOAONYRSFNIUJP-MRXNPFEDSA-N 1 1 383.448 3.648 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000471006129 931091059 /nfs/dbraw/zinc/09/10/59/931091059.db2.gz MOAONYRSFNIUJP-MRXNPFEDSA-N 1 1 383.448 3.648 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(OC)cc1 ZINC000782480519 931237112 /nfs/dbraw/zinc/23/71/12/931237112.db2.gz SDFPUUYPLCOMKY-UHFFFAOYSA-N 1 1 389.427 3.983 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782488932 931240676 /nfs/dbraw/zinc/24/06/76/931240676.db2.gz KOVBLNVZKGCNOG-AWEZNQCLSA-N 1 1 375.375 3.691 20 5 GHBDMO O=C(CC[N@H+]1CCS[C@H](c2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782499761 931243386 /nfs/dbraw/zinc/24/33/86/931243386.db2.gz VMSKIJJZCQBXPX-SFHVURJKSA-N 1 1 389.452 3.853 20 5 GHBDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783553122 931579585 /nfs/dbraw/zinc/57/95/85/931579585.db2.gz PJVCNBAYYWDVCY-UHFFFAOYSA-N 1 1 379.888 3.909 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000783846510 931688452 /nfs/dbraw/zinc/68/84/52/931688452.db2.gz RCAOHVQJTZLRRY-WMZOPIPTSA-N 1 1 397.500 3.830 20 5 GHBDMO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Br)cc1 ZINC000784500363 931914851 /nfs/dbraw/zinc/91/48/51/931914851.db2.gz ZLHCCCHTMPDAAK-UHFFFAOYSA-N 1 1 398.644 3.739 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000784521528 931924070 /nfs/dbraw/zinc/92/40/70/931924070.db2.gz FFZLFZVMOLFSGC-YTQUADARSA-N 1 1 389.496 3.763 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000797082702 932174743 /nfs/dbraw/zinc/17/47/43/932174743.db2.gz WZUUHSQMQDSJTO-CFCCAZDESA-N 1 1 397.450 3.980 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(C)=C(Br)C1 ZINC000797529051 932321072 /nfs/dbraw/zinc/32/10/72/932321072.db2.gz FUQCIZSGRYSOOX-UHFFFAOYSA-N 1 1 382.258 3.606 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(C)=C(Br)C1 ZINC000797529051 932321077 /nfs/dbraw/zinc/32/10/77/932321077.db2.gz FUQCIZSGRYSOOX-UHFFFAOYSA-N 1 1 382.258 3.606 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559372631 932637271 /nfs/dbraw/zinc/63/72/71/932637271.db2.gz WRAXRDLBQIESCF-CQSZACIVSA-N 1 1 387.402 3.998 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)o2)cc1 ZINC000559959516 932981307 /nfs/dbraw/zinc/98/13/07/932981307.db2.gz WPNQKJMTZXXOKJ-DYVFJYSZSA-N 1 1 384.354 3.990 20 5 GHBDMO CC1(c2ccc(Br)cc2)CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000799571808 933044036 /nfs/dbraw/zinc/04/40/36/933044036.db2.gz SMZMMRWNDJKCMQ-UHFFFAOYSA-N 1 1 379.258 3.565 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)cc1 ZINC001115858017 933223222 /nfs/dbraw/zinc/22/32/22/933223222.db2.gz FAKZBRPFPKWFKO-UHFFFAOYSA-N 1 1 394.475 3.500 20 5 GHBDMO Cc1csc(CCCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000560527652 933313151 /nfs/dbraw/zinc/31/31/51/933313151.db2.gz NGUNYKWUNJPCGL-GOSISDBHSA-N 1 1 385.493 3.795 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531768 933316663 /nfs/dbraw/zinc/31/66/63/933316663.db2.gz LQFPDNIWBHPQCX-YLJYHZDGSA-N 1 1 385.512 3.519 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1Cl ZINC001116171850 933379414 /nfs/dbraw/zinc/37/94/14/933379414.db2.gz QAKHFGMYFGPMSM-SFHVURJKSA-N 1 1 388.855 3.576 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001116734795 933726868 /nfs/dbraw/zinc/72/68/68/933726868.db2.gz ZSXGZTMGPJWOOQ-LPHOPBHVSA-N 1 1 386.427 3.918 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001116734795 933726876 /nfs/dbraw/zinc/72/68/76/933726876.db2.gz ZSXGZTMGPJWOOQ-LPHOPBHVSA-N 1 1 386.427 3.918 20 5 GHBDMO CC(C)(CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)c1cccnc1 ZINC001118565407 934197450 /nfs/dbraw/zinc/19/74/50/934197450.db2.gz YWLZOJDOHGJCAI-INIZCTEOSA-N 1 1 394.269 3.602 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000930709806 934199040 /nfs/dbraw/zinc/19/90/40/934199040.db2.gz HWRUHGUFCVTLKR-UHFFFAOYSA-N 1 1 381.904 3.760 20 5 GHBDMO COc1c(O)ccc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)c1[N+](=O)[O-] ZINC001119953233 934424342 /nfs/dbraw/zinc/42/43/42/934424342.db2.gz LSJNBJBDUBNJGR-VIFPVBQESA-N 1 1 386.326 3.900 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000561804782 934467773 /nfs/dbraw/zinc/46/77/73/934467773.db2.gz LLSWHJXHFHMNKP-WMZOPIPTSA-N 1 1 382.464 3.996 20 5 GHBDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000561958549 934584996 /nfs/dbraw/zinc/58/49/96/934584996.db2.gz XXJKSBVOMHTLCF-KRWDZBQOSA-N 1 1 399.447 3.985 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC001137589738 935606581 /nfs/dbraw/zinc/60/65/81/935606581.db2.gz SEGKTGPUUFDIGG-FUHWJXTLSA-N 1 1 399.466 3.693 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)c1ccccc1F)[C@H]1CC[C@H](O)CC1 ZINC000828807486 935715754 /nfs/dbraw/zinc/71/57/54/935715754.db2.gz NVRCVFLRTVEIPW-CBGDNZLLSA-N 1 1 388.439 3.573 20 5 GHBDMO Cc1ccc(C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC2CC2)cn1 ZINC000829866029 935874681 /nfs/dbraw/zinc/87/46/81/935874681.db2.gz SBIIBDQASODSET-UHFFFAOYSA-N 1 1 386.427 3.678 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001460978244 1069311819 /nfs/dbraw/zinc/31/18/19/1069311819.db2.gz ZAGLGPMRVJPLAT-JKSUJKDBSA-N 1 1 399.495 3.753 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001460978244 1069311833 /nfs/dbraw/zinc/31/18/33/1069311833.db2.gz ZAGLGPMRVJPLAT-JKSUJKDBSA-N 1 1 399.495 3.753 20 5 GHBDMO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490808661 1014723218 /nfs/dbraw/zinc/72/32/18/1014723218.db2.gz CPMIQSQVFXJCIT-WBVHZDCISA-N 1 1 392.459 3.717 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001626012216 1014771701 /nfs/dbraw/zinc/77/17/01/1014771701.db2.gz YLHGEYZSKRUKIW-ZBFHGGJFSA-N 1 1 397.903 3.786 20 5 GHBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000374255908 1015066500 /nfs/dbraw/zinc/06/65/00/1015066500.db2.gz LGUWWLGEFDWXRN-UYAOXDASSA-N 1 1 396.447 3.676 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000545845338 1016508655 /nfs/dbraw/zinc/50/86/55/1016508655.db2.gz RKSARIZKAAIOBY-RTBURBONSA-N 1 1 385.439 3.573 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545872059 1016555998 /nfs/dbraw/zinc/55/59/98/1016555998.db2.gz PRSVZMDHMLXAKE-OAHLLOKOSA-N 1 1 379.476 3.640 20 5 GHBDMO Cc1nc2c(C(=O)Nc3cc4[nH+]c5cc(N(C)C)ccc5cc4cc3C)c[nH]n2n1 ZINC001154665129 1032229418 /nfs/dbraw/zinc/22/94/18/1032229418.db2.gz LCRHEIBDHJCLBY-UHFFFAOYSA-N 1 1 399.458 3.694 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001227043321 1032248632 /nfs/dbraw/zinc/24/86/32/1032248632.db2.gz CXHPBZAAAVLYAK-BWTSREIZSA-N 1 1 396.443 3.956 20 5 GHBDMO Cc1ccc(N2CCC(Oc3nc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC001227247397 1032341575 /nfs/dbraw/zinc/34/15/75/1032341575.db2.gz YIDYDJCZKWISKG-UHFFFAOYSA-N 1 1 382.342 3.760 20 5 GHBDMO O=[N+]([O-])c1nc(Br)ccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001227256338 1032345210 /nfs/dbraw/zinc/34/52/10/1032345210.db2.gz GCUNSJCSLBJOLV-CQSZACIVSA-N 1 1 392.253 3.796 20 5 GHBDMO Cc1ccc(N2CCC(Oc3ccc(Br)nc3[N+](=O)[O-])CC2)[nH+]c1 ZINC001227260267 1032346302 /nfs/dbraw/zinc/34/63/02/1032346302.db2.gz PWSNUSHDEJINEE-UHFFFAOYSA-N 1 1 393.241 3.504 20 5 GHBDMO CCOC(=O)c1ccc(O[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)c([N+](=O)[O-])c1 ZINC001227302538 1032363389 /nfs/dbraw/zinc/36/33/89/1032363389.db2.gz WZMLFQFUVRMPJG-INIZCTEOSA-N 1 1 385.420 3.523 20 5 GHBDMO COC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001227897209 1032676868 /nfs/dbraw/zinc/67/68/68/1032676868.db2.gz PIAWVCBKISNTOB-BCDXTJNWSA-N 1 1 396.443 3.956 20 5 GHBDMO Cc1cc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000560762291 1017715138 /nfs/dbraw/zinc/71/51/38/1017715138.db2.gz TVAUSIWVPLCWFK-QFIPXVFZSA-N 1 1 379.460 3.641 20 5 GHBDMO CC(=O)c1ccc2c(c1)CC[N@@H+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)CC2 ZINC000777958584 1017927436 /nfs/dbraw/zinc/92/74/36/1017927436.db2.gz RXCIWWOUVSUZSG-UHFFFAOYSA-N 1 1 390.443 3.719 20 5 GHBDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)CC2 ZINC000777958584 1017927442 /nfs/dbraw/zinc/92/74/42/1017927442.db2.gz RXCIWWOUVSUZSG-UHFFFAOYSA-N 1 1 390.443 3.719 20 5 GHBDMO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000932636978 1018547972 /nfs/dbraw/zinc/54/79/72/1018547972.db2.gz ARHMJLJCPZKTAX-AWEZNQCLSA-N 1 1 375.450 3.516 20 5 GHBDMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000932636978 1018547981 /nfs/dbraw/zinc/54/79/81/1018547981.db2.gz ARHMJLJCPZKTAX-AWEZNQCLSA-N 1 1 375.450 3.516 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778272596 1018934448 /nfs/dbraw/zinc/93/44/48/1018934448.db2.gz JYMRHCWGJXOBPV-UHFFFAOYSA-N 1 1 383.439 3.657 20 5 GHBDMO CSc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193801502 1020951723 /nfs/dbraw/zinc/95/17/23/1020951723.db2.gz FBLYKDGHRVYJRT-MRXNPFEDSA-N 1 1 385.489 3.569 20 5 GHBDMO COc1cccc(C2CC[NH+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 ZINC000194842158 1020967632 /nfs/dbraw/zinc/96/76/32/1020967632.db2.gz LYUWICFDVKDHQA-UHFFFAOYSA-N 1 1 393.447 3.699 20 5 GHBDMO CCOc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)ccc1[N+](=O)[O-] ZINC001156315951 1032978363 /nfs/dbraw/zinc/97/83/63/1032978363.db2.gz DIAPLXRWWXHWPB-FGTMMUONSA-N 1 1 382.464 3.711 20 5 GHBDMO COc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)ccc1OC(=O)C1CC1 ZINC000802657940 1021515839 /nfs/dbraw/zinc/51/58/39/1021515839.db2.gz FPDPXCNGFUVOHX-UHFFFAOYSA-N 1 1 384.432 3.593 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C12CCCCC2 ZINC001204616429 1032996078 /nfs/dbraw/zinc/99/60/78/1032996078.db2.gz WOFPOWIPWLRDBY-IAGOWNOFSA-N 1 1 378.469 3.869 20 5 GHBDMO Cc1cc2[nH]c(O[C@@H]3CCC[N@H+]([C@@H](C)c4ccccn4)C3)nc2cc1[N+](=O)[O-] ZINC001228674182 1033036471 /nfs/dbraw/zinc/03/64/71/1033036471.db2.gz INQSZQHIGSFFAM-LSDHHAIUSA-N 1 1 381.436 3.779 20 5 GHBDMO Cc1cc2[nH]c(O[C@@H]3CCC[N@H+]([C@H](C)c4ccccn4)C3)nc2cc1[N+](=O)[O-] ZINC001228674181 1033036763 /nfs/dbraw/zinc/03/67/63/1033036763.db2.gz INQSZQHIGSFFAM-HUUCEWRRSA-N 1 1 381.436 3.779 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000754993852 1023006222 /nfs/dbraw/zinc/00/62/22/1023006222.db2.gz RXDIVLHFVJHVME-MRXNPFEDSA-N 1 1 393.484 3.730 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755834411 1023396493 /nfs/dbraw/zinc/39/64/93/1023396493.db2.gz LLKHSYUSWYEBSV-NVXWUHKLSA-N 1 1 384.432 3.671 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000755936300 1023442078 /nfs/dbraw/zinc/44/20/78/1023442078.db2.gz ZZGPCNYEGZRQBR-SFHVURJKSA-N 1 1 392.463 3.541 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000755936300 1023442091 /nfs/dbraw/zinc/44/20/91/1023442091.db2.gz ZZGPCNYEGZRQBR-SFHVURJKSA-N 1 1 392.463 3.541 20 5 GHBDMO C[N@@H+](CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000756915755 1023864175 /nfs/dbraw/zinc/86/41/75/1023864175.db2.gz OJMDEAHXIFBSSH-UHFFFAOYSA-N 1 1 382.892 3.702 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756919836 1023866640 /nfs/dbraw/zinc/86/66/40/1023866640.db2.gz KFTSHANDRYGCKF-CQSZACIVSA-N 1 1 382.892 3.702 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000830852081 1024192207 /nfs/dbraw/zinc/19/22/07/1024192207.db2.gz QERXHMPBJJILCP-HNNXBMFYSA-N 1 1 399.325 3.735 20 5 GHBDMO CC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000837646306 1024606628 /nfs/dbraw/zinc/60/66/28/1024606628.db2.gz LJMVWJSCLXUKLU-UHFFFAOYSA-N 1 1 384.432 3.646 20 5 GHBDMO COc1ccc(F)cc1CN1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC001205094610 1033248997 /nfs/dbraw/zinc/24/89/97/1033248997.db2.gz XAIFPERMQIYTEE-SFQUDFHCSA-N 1 1 399.466 3.964 20 5 GHBDMO O=[N+]([O-])c1ccc(NCC[C@H]2CC[NH2+]CC2(F)F)nc1-c1ccc(F)cc1 ZINC001162814177 1025928072 /nfs/dbraw/zinc/92/80/72/1025928072.db2.gz KLLNHOCMTQXWFK-CYBMUJFWSA-N 1 1 380.370 3.843 20 5 GHBDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000839501242 1025988359 /nfs/dbraw/zinc/98/83/59/1025988359.db2.gz QYFAMKDYHXEXIQ-GFCCVEGCSA-N 1 1 377.828 3.975 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000839501242 1025988366 /nfs/dbraw/zinc/98/83/66/1025988366.db2.gz QYFAMKDYHXEXIQ-GFCCVEGCSA-N 1 1 377.828 3.975 20 5 GHBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001461053800 1069364183 /nfs/dbraw/zinc/36/41/83/1069364183.db2.gz MNGIQYQTRWOQDM-BEFAXECRSA-N 1 1 385.851 3.595 20 5 GHBDMO COCC[N@@H+](C)[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001163386021 1026172264 /nfs/dbraw/zinc/17/22/64/1026172264.db2.gz SKEUGBHMCKZKCD-KRWDZBQOSA-N 1 1 378.860 3.683 20 5 GHBDMO COCC[N@@H+](C)[C@H](CNc1nccc(C)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001163386615 1026172414 /nfs/dbraw/zinc/17/24/14/1026172414.db2.gz YNXUVZNAWMKYEY-MRXNPFEDSA-N 1 1 378.860 3.683 20 5 GHBDMO COc1nc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)ccc1[N+](=O)[O-] ZINC001166572132 1027030511 /nfs/dbraw/zinc/03/05/11/1027030511.db2.gz NIFGEHWPXMYORC-UHFFFAOYSA-N 1 1 399.838 3.527 20 5 GHBDMO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1ccc(C)cc1[N+](=O)[O-] ZINC001214175607 1028581611 /nfs/dbraw/zinc/58/16/11/1028581611.db2.gz DOOBGUUHGSFOSM-UHFFFAOYSA-N 1 1 382.420 3.812 20 5 GHBDMO Cc1c(Br)cc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC001142375081 1028780123 /nfs/dbraw/zinc/78/01/23/1028780123.db2.gz NLQLVWWRSQZAKQ-UHFFFAOYSA-N 1 1 398.301 3.660 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000842833709 1029619022 /nfs/dbraw/zinc/61/90/22/1029619022.db2.gz NIMUMJLFRHNAPQ-AWEZNQCLSA-N 1 1 389.477 3.996 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])c(-c2nc(-c3cccc(N(C)C)c3)no2)c1 ZINC001216552874 1029683242 /nfs/dbraw/zinc/68/32/42/1029683242.db2.gz MQHSUKUGYNBVJW-UHFFFAOYSA-N 1 1 390.403 3.872 20 5 GHBDMO COc1nc(C)ccc1-c1noc(-c2cc(-n3cc[nH+]c3C)ccc2[N+](=O)[O-])n1 ZINC001216553286 1029684236 /nfs/dbraw/zinc/68/42/36/1029684236.db2.gz XJVBYVAQLYYZPX-UHFFFAOYSA-N 1 1 392.375 3.518 20 5 GHBDMO Cc1c(NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC001217195169 1030227380 /nfs/dbraw/zinc/22/73/80/1030227380.db2.gz XCMOSMBPJRVDRL-ZDUSSCGKSA-N 1 1 399.289 3.612 20 5 GHBDMO COC(=O)c1ccc(CO[C@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001223414968 1030566617 /nfs/dbraw/zinc/56/66/17/1030566617.db2.gz UFFPGHLJIOXDPA-QAPCUYQASA-N 1 1 399.447 3.519 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001223450556 1030578774 /nfs/dbraw/zinc/57/87/74/1030578774.db2.gz RHGIAKQTIRIRCL-IIBYNOLFSA-N 1 1 398.459 3.809 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223488519 1030600228 /nfs/dbraw/zinc/60/02/28/1030600228.db2.gz AOTQFCFBEUMENC-KBXCAEBGSA-N 1 1 386.408 3.640 20 5 GHBDMO COC(=O)c1cc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC001223692252 1030707195 /nfs/dbraw/zinc/70/71/95/1030707195.db2.gz ZZOJDEWOYCCLNE-IIBYNOLFSA-N 1 1 398.459 3.809 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@@H]2C[NH2+]C[C@H]2C)c2c(=O)c3cccc(O)c3oc12 ZINC001218036420 1030735758 /nfs/dbraw/zinc/73/57/58/1030735758.db2.gz RYHCYPKTDHFZIC-BFUOFWGJSA-N 1 1 395.455 3.853 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@@H]2C[NH2+][C@H](C)C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218051201 1030742106 /nfs/dbraw/zinc/74/21/06/1030742106.db2.gz WFPBCFYCVVNEAS-KGLIPLIRSA-N 1 1 395.455 3.995 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccnc(-c4ccccn4)n3)o2)cc1 ZINC001461716200 1069698398 /nfs/dbraw/zinc/69/83/98/1069698398.db2.gz ASQSBERDFKXYRT-UHFFFAOYSA-N 1 1 387.399 3.997 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]1CNCC(F)(F)C1 ZINC001219207684 1031305412 /nfs/dbraw/zinc/30/54/12/1031305412.db2.gz LPHNYYBWVOGMGL-INIZCTEOSA-N 1 1 398.457 3.946 20 5 GHBDMO Nc1ccc(NC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001219452320 1031424369 /nfs/dbraw/zinc/42/43/69/1031424369.db2.gz JNZQQKFAAVMBKK-GOSISDBHSA-N 1 1 397.479 3.743 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc3oc4ccccc4c(=O)c3c2)[C@H](C)C1 ZINC001153427375 1031585201 /nfs/dbraw/zinc/58/52/01/1031585201.db2.gz AOQFCFAGCUVEJT-BEFAXECRSA-N 1 1 378.472 3.795 20 5 GHBDMO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225895325 1031681110 /nfs/dbraw/zinc/68/11/10/1031681110.db2.gz SCBVFOHFONBKCH-GXTWGEPZSA-N 1 1 390.371 3.642 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225895325 1031681123 /nfs/dbraw/zinc/68/11/23/1031681123.db2.gz SCBVFOHFONBKCH-GXTWGEPZSA-N 1 1 390.371 3.642 20 5 GHBDMO Cc1ccc(N2CCC[C@@H](Oc3ncc([N+](=O)[O-])cc3Br)C2)[nH+]c1 ZINC001226344593 1031922577 /nfs/dbraw/zinc/92/25/77/1031922577.db2.gz RCZMNQHCIKXUFY-CYBMUJFWSA-N 1 1 393.241 3.504 20 5 GHBDMO C[N@H+]1CCC[C@@H](Oc2ccc3c(c2)occ(-c2ccc([N+](=O)[O-])cc2)c3=O)C1 ZINC001229267922 1033379911 /nfs/dbraw/zinc/37/99/11/1033379911.db2.gz WOSNBPLCFIDIQL-QGZVFWFLSA-N 1 1 380.400 3.841 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229374855 1033444941 /nfs/dbraw/zinc/44/49/41/1033444941.db2.gz SZTCGJWMKQPDAA-RDTXWAMCSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001205641380 1033507310 /nfs/dbraw/zinc/50/73/10/1033507310.db2.gz GHAIEONLRGWTSM-RHSMWYFYSA-N 1 1 386.427 3.909 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC001157439198 1033591728 /nfs/dbraw/zinc/59/17/28/1033591728.db2.gz ZLKXNLBQHJPJKJ-UHFFFAOYSA-N 1 1 384.436 3.696 20 5 GHBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(-n2ccc(C[NH2+]Cc3ccccc3)n2)c1 ZINC001157615915 1033692851 /nfs/dbraw/zinc/69/28/51/1033692851.db2.gz IPWDGINOEDWNQT-UHFFFAOYSA-N 1 1 394.822 3.667 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001230315477 1033991895 /nfs/dbraw/zinc/99/18/95/1033991895.db2.gz NMAKSNWEIGYNIE-AWEZNQCLSA-N 1 1 375.356 3.686 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001230315477 1033991903 /nfs/dbraw/zinc/99/19/03/1033991903.db2.gz NMAKSNWEIGYNIE-AWEZNQCLSA-N 1 1 375.356 3.686 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@@H+](Cc4cccc(Cl)c4)C3)c21 ZINC001161180921 1035169246 /nfs/dbraw/zinc/16/92/46/1035169246.db2.gz LFXDFXAIZVOBKR-HNNXBMFYSA-N 1 1 383.839 3.878 20 5 GHBDMO Cc1cnc(N2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)s1 ZINC001232223173 1035171362 /nfs/dbraw/zinc/17/13/62/1035171362.db2.gz LDWULCBLQPTXDK-UHFFFAOYSA-N 1 1 375.501 3.870 20 5 GHBDMO C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001161494350 1035240640 /nfs/dbraw/zinc/24/06/40/1035240640.db2.gz NBHCWZOZLFUNBG-OAHLLOKOSA-N 1 1 380.448 3.647 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001161494350 1035240644 /nfs/dbraw/zinc/24/06/44/1035240644.db2.gz NBHCWZOZLFUNBG-OAHLLOKOSA-N 1 1 380.448 3.647 20 5 GHBDMO O=[N+]([O-])c1cc(-c2ccc(NCc3[nH+]cn4ccccc34)nn2)ccc1Cl ZINC001161686958 1035285252 /nfs/dbraw/zinc/28/52/52/1035285252.db2.gz KKWGBJKJWSALNR-UHFFFAOYSA-N 1 1 380.795 3.965 20 5 GHBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001276650473 1035313811 /nfs/dbraw/zinc/31/38/11/1035313811.db2.gz ITAYMUHOYYRRPQ-APWZRJJASA-N 1 1 385.851 3.595 20 5 GHBDMO Cc1cc(F)cc(CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)c1 ZINC001246952017 1037754676 /nfs/dbraw/zinc/75/46/76/1037754676.db2.gz QJFTWLRERMISGJ-QFIPXVFZSA-N 1 1 383.467 3.764 20 5 GHBDMO Cc1ccc2cccc(-c3noc([C@@H]([NH3+])Cc4ccccc4[N+](=O)[O-])n3)c2n1 ZINC001247665874 1038302355 /nfs/dbraw/zinc/30/23/55/1038302355.db2.gz KNGGHXHAGPAWOQ-INIZCTEOSA-N 1 1 375.388 3.744 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3cc(F)c([N+](=O)[O-])c(F)c3)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001233752715 1039590787 /nfs/dbraw/zinc/59/07/87/1039590787.db2.gz HAHKEFBUABOBOF-BKTGTZMESA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3cc(F)c([N+](=O)[O-])c(F)c3)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001233752715 1039590798 /nfs/dbraw/zinc/59/07/98/1039590798.db2.gz HAHKEFBUABOBOF-BKTGTZMESA-N 1 1 388.370 3.626 20 5 GHBDMO O=[N+]([O-])c1cccc2c1ccnc2OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001234676165 1040207443 /nfs/dbraw/zinc/20/74/43/1040207443.db2.gz JSEGVJATZYRCMY-SFHVURJKSA-N 1 1 393.443 3.813 20 5 GHBDMO NCC[N@@H+](C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001254469594 1040255269 /nfs/dbraw/zinc/25/52/69/1040255269.db2.gz REVNKSVCWCPVGZ-UHFFFAOYSA-N 1 1 398.551 3.793 20 5 GHBDMO O=C1N(c2ccsc2)CC[C@]12CCC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254593823 1040365298 /nfs/dbraw/zinc/36/52/98/1040365298.db2.gz CAYPJDVVSKDSEQ-CTNGQTDRSA-N 1 1 397.500 3.643 20 5 GHBDMO O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254593827 1040365675 /nfs/dbraw/zinc/36/56/75/1040365675.db2.gz CAYPJDVVSKDSEQ-PZJWPPBQSA-N 1 1 397.500 3.643 20 5 GHBDMO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593203 1040366043 /nfs/dbraw/zinc/36/60/43/1040366043.db2.gz JXDOVIYWGVYUJL-SPYBWZPUSA-N 1 1 389.496 3.687 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595125 1040367435 /nfs/dbraw/zinc/36/74/35/1040367435.db2.gz VLLXRXNSGMXCAZ-GHTZIAJQSA-N 1 1 387.480 3.537 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001254605269 1040376404 /nfs/dbraw/zinc/37/64/04/1040376404.db2.gz AWNUMBZKPNKQFV-QFIPXVFZSA-N 1 1 377.488 3.660 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255388280 1040976001 /nfs/dbraw/zinc/97/60/01/1040976001.db2.gz VRQVQBDOYUEDLG-OAHLLOKOSA-N 1 1 380.404 3.643 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCc4cc(C)ccc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256104085 1041530750 /nfs/dbraw/zinc/53/07/50/1041530750.db2.gz UFACOKOFHTYONN-UHFFFAOYSA-N 1 1 381.476 3.939 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001257438624 1043998793 /nfs/dbraw/zinc/99/87/93/1043998793.db2.gz VTQYWFXGFHEOIS-UHFFFAOYSA-N 1 1 396.285 3.904 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001293541843 1044232795 /nfs/dbraw/zinc/23/27/95/1044232795.db2.gz QGUWYNDABPCRPB-ZIAGYGMSSA-N 1 1 394.903 3.557 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001293958762 1044395027 /nfs/dbraw/zinc/39/50/27/1044395027.db2.gz GMVZLYIPRUHFEG-OAHLLOKOSA-N 1 1 379.526 3.805 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001295475842 1045030446 /nfs/dbraw/zinc/03/04/46/1045030446.db2.gz XKDLCKIXBQHUSJ-INIZCTEOSA-N 1 1 397.475 3.885 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@](CO)(C(C)C)C2)cc1OC ZINC001261200211 1045917360 /nfs/dbraw/zinc/91/73/60/1045917360.db2.gz PXVVBCNPNBIZRT-IERDGZPVSA-N 1 1 394.512 3.869 20 5 GHBDMO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000611372764 1047504841 /nfs/dbraw/zinc/50/48/41/1047504841.db2.gz LUIYOYWUIAXRLB-IEBWSBKVSA-N 1 1 396.491 3.867 20 5 GHBDMO CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001266065637 1047705788 /nfs/dbraw/zinc/70/57/88/1047705788.db2.gz ZAHUFOWIBYYOLE-NRFANRHFSA-N 1 1 393.487 3.749 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001306936637 1048967957 /nfs/dbraw/zinc/96/79/57/1048967957.db2.gz UAIHIOWXCGECPJ-LZWOXQAQSA-N 1 1 399.451 3.893 20 5 GHBDMO COc1cc(N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001307115111 1049083542 /nfs/dbraw/zinc/08/35/42/1049083542.db2.gz FIMLEKGXYUTLSD-OAHLLOKOSA-N 1 1 375.856 3.620 20 5 GHBDMO COc1cc(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001307115111 1049083554 /nfs/dbraw/zinc/08/35/54/1049083554.db2.gz FIMLEKGXYUTLSD-OAHLLOKOSA-N 1 1 375.856 3.620 20 5 GHBDMO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC001307128425 1049093147 /nfs/dbraw/zinc/09/31/47/1049093147.db2.gz KFHORUORVHEMRL-KRWDZBQOSA-N 1 1 391.903 3.719 20 5 GHBDMO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC001307128425 1049093157 /nfs/dbraw/zinc/09/31/57/1049093157.db2.gz KFHORUORVHEMRL-KRWDZBQOSA-N 1 1 391.903 3.719 20 5 GHBDMO O=C(CC[N@H+](Cc1ccccc1)C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC001307430471 1049267195 /nfs/dbraw/zinc/26/71/95/1049267195.db2.gz CRMCETOIAYSOOS-HXUWFJFHSA-N 1 1 383.448 3.605 20 5 GHBDMO CC(C)[N@H+](Cc1cnn(Cc2ccccc2)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307607987 1049445753 /nfs/dbraw/zinc/44/57/53/1049445753.db2.gz FVZNQCUSVUNUNM-JOCHJYFZSA-N 1 1 394.475 3.784 20 5 GHBDMO C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001307892657 1049671120 /nfs/dbraw/zinc/67/11/20/1049671120.db2.gz ATCOUKIGOUFYBB-QLDGJZPUSA-N 1 1 383.492 3.612 20 5 GHBDMO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001307892657 1049671126 /nfs/dbraw/zinc/67/11/26/1049671126.db2.gz ATCOUKIGOUFYBB-QLDGJZPUSA-N 1 1 383.492 3.612 20 5 GHBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001307892657 1049671132 /nfs/dbraw/zinc/67/11/32/1049671132.db2.gz ATCOUKIGOUFYBB-QLDGJZPUSA-N 1 1 383.492 3.612 20 5 GHBDMO COc1ccc(C[C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC001307906543 1049684966 /nfs/dbraw/zinc/68/49/66/1049684966.db2.gz SYKKUYZOJLLRTL-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO COc1ccc(C[C@@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC001307906543 1049684972 /nfs/dbraw/zinc/68/49/72/1049684972.db2.gz SYKKUYZOJLLRTL-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO Cc1ccc(C[C@@]2(C)CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC001307971764 1049730883 /nfs/dbraw/zinc/73/08/83/1049730883.db2.gz FDPAKRJJEHDUOS-HSZRJFAPSA-N 1 1 393.487 3.890 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001308022785 1049774303 /nfs/dbraw/zinc/77/43/03/1049774303.db2.gz RXCRLZLUWNQZEY-RDJZCZTQSA-N 1 1 375.469 3.816 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCC[C@H](CF)C1 ZINC001308034417 1049785475 /nfs/dbraw/zinc/78/54/75/1049785475.db2.gz JWJBLNWXLKMRFS-CHWSQXEVSA-N 1 1 392.456 3.727 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCC[C@H](CF)C1 ZINC001308034417 1049785485 /nfs/dbraw/zinc/78/54/85/1049785485.db2.gz JWJBLNWXLKMRFS-CHWSQXEVSA-N 1 1 392.456 3.727 20 5 GHBDMO C[N@@H+](CCNCc1c(Br)cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001308300617 1049942472 /nfs/dbraw/zinc/94/24/72/1049942472.db2.gz QUHKXFFMHJEITB-UHFFFAOYSA-N 1 1 396.260 3.718 20 5 GHBDMO CN(CC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001308300617 1049942473 /nfs/dbraw/zinc/94/24/73/1049942473.db2.gz QUHKXFFMHJEITB-UHFFFAOYSA-N 1 1 396.260 3.718 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC001308823662 1050108999 /nfs/dbraw/zinc/10/89/99/1050108999.db2.gz GSNHAUNQLVSNFX-JKSUJKDBSA-N 1 1 378.469 3.793 20 5 GHBDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308825063 1050109687 /nfs/dbraw/zinc/10/96/87/1050109687.db2.gz ILEYVTMCYBPWTL-QWHCGFSZSA-N 1 1 375.425 3.678 20 5 GHBDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308825063 1050109690 /nfs/dbraw/zinc/10/96/90/1050109690.db2.gz ILEYVTMCYBPWTL-QWHCGFSZSA-N 1 1 375.425 3.678 20 5 GHBDMO COc1cc(CNc2[nH+]c3ccccc3n2C)c([N+](=O)[O-])cc1OCC(F)F ZINC001308989950 1050249708 /nfs/dbraw/zinc/24/97/08/1050249708.db2.gz OPFOFHCOMSSOKB-UHFFFAOYSA-N 1 1 392.362 3.746 20 5 GHBDMO C[NH2+][C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1Cl ZINC001329810179 1050908349 /nfs/dbraw/zinc/90/83/49/1050908349.db2.gz UOGVSMCKSQTFCX-QGZVFWFLSA-N 1 1 394.258 3.747 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c2c(c1)COCO2 ZINC001335030011 1052026295 /nfs/dbraw/zinc/02/62/95/1052026295.db2.gz CRCJUDKHNXFCPS-AWEZNQCLSA-N 1 1 394.431 3.717 20 5 GHBDMO C[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001312253725 1052662296 /nfs/dbraw/zinc/66/22/96/1052662296.db2.gz LWLUVPHXNALMJC-AOIWGVFYSA-N 1 1 396.491 3.661 20 5 GHBDMO COc1cc(CN2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC001319690898 1055400539 /nfs/dbraw/zinc/40/05/39/1055400539.db2.gz KEJLLGGBHHVVGP-UHFFFAOYSA-N 1 1 399.491 3.628 20 5 GHBDMO Cc1cc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001319739428 1055436892 /nfs/dbraw/zinc/43/68/92/1055436892.db2.gz FWERSMIMNMUYFS-OAHLLOKOSA-N 1 1 391.431 3.849 20 5 GHBDMO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cccs3)CC2)c(Br)c1 ZINC001320413269 1055791722 /nfs/dbraw/zinc/79/17/22/1055791722.db2.gz VBGFOYSQNSNEOM-UHFFFAOYSA-N 1 1 396.310 3.737 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001320780148 1055957942 /nfs/dbraw/zinc/95/79/42/1055957942.db2.gz XPMRYIDFQZFSLW-DOTOQJQBSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001320780148 1055957948 /nfs/dbraw/zinc/95/79/48/1055957948.db2.gz XPMRYIDFQZFSLW-DOTOQJQBSA-N 1 1 392.818 3.954 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC001320975536 1056039659 /nfs/dbraw/zinc/03/96/59/1056039659.db2.gz LRKWPEHQSXUAFL-CQSZACIVSA-N 1 1 382.420 3.716 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001321358874 1056233507 /nfs/dbraw/zinc/23/35/07/1056233507.db2.gz CVCTYORGLJEFIO-OAQYLSRUSA-N 1 1 394.475 3.531 20 5 GHBDMO CC[C@H](c1ccncc1)[N@H+](CC)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479921 1057117726 /nfs/dbraw/zinc/11/77/26/1057117726.db2.gz LTYBRXBXMVXXHV-WOJBJXKFSA-N 1 1 382.464 3.736 20 5 GHBDMO CC[C@H](c1ccncc1)[N@@H+](CC)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479921 1057117731 /nfs/dbraw/zinc/11/77/31/1057117731.db2.gz LTYBRXBXMVXXHV-WOJBJXKFSA-N 1 1 382.464 3.736 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848486771 1057122473 /nfs/dbraw/zinc/12/24/73/1057122473.db2.gz JONCOAMZRZAGEW-LKRGOLFISA-N 1 1 384.480 3.677 20 5 GHBDMO CC(C)[N@H+](Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@@H]1CCC(=O)N1 ZINC001325289546 1057306653 /nfs/dbraw/zinc/30/66/53/1057306653.db2.gz ITWTWHAAPRWKSS-AWEZNQCLSA-N 1 1 391.855 3.997 20 5 GHBDMO Cc1cccc(NC[C@H]2CCCN2C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC001325338657 1057315225 /nfs/dbraw/zinc/31/52/25/1057315225.db2.gz JCZBJTMBABOLJG-GDBMZVCRSA-N 1 1 386.427 3.644 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC001356354928 1057486931 /nfs/dbraw/zinc/48/69/31/1057486931.db2.gz LUYOYNDNDMTIAE-JKSUJKDBSA-N 1 1 385.439 3.777 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC001356354928 1057486935 /nfs/dbraw/zinc/48/69/35/1057486935.db2.gz LUYOYNDNDMTIAE-JKSUJKDBSA-N 1 1 385.439 3.777 20 5 GHBDMO CCC(CC)[C@@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001440812597 1058625748 /nfs/dbraw/zinc/62/57/48/1058625748.db2.gz UDYGZPZQMQIRJW-HXUWFJFHSA-N 1 1 391.512 3.585 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001448739295 1060259404 /nfs/dbraw/zinc/25/94/04/1060259404.db2.gz OUQQNCPYDZSTIO-UHFFFAOYSA-N 1 1 398.850 3.991 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001545873517 1062056648 /nfs/dbraw/zinc/05/66/48/1062056648.db2.gz RHDVOANAQUQYKY-GJZGRUSLSA-N 1 1 379.526 3.898 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001545873517 1062056664 /nfs/dbraw/zinc/05/66/64/1062056664.db2.gz RHDVOANAQUQYKY-GJZGRUSLSA-N 1 1 379.526 3.898 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001545873519 1062056820 /nfs/dbraw/zinc/05/68/20/1062056820.db2.gz RHDVOANAQUQYKY-LSDHHAIUSA-N 1 1 379.526 3.898 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001545873519 1062056843 /nfs/dbraw/zinc/05/68/43/1062056843.db2.gz RHDVOANAQUQYKY-LSDHHAIUSA-N 1 1 379.526 3.898 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435701277 1062866331 /nfs/dbraw/zinc/86/63/31/1062866331.db2.gz HLCKFKBHYDIVLZ-NTSGDEEZSA-N 1 1 393.487 3.725 20 5 GHBDMO COc1cc(C[NH+]2CC(c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001348075606 1062908803 /nfs/dbraw/zinc/90/88/03/1062908803.db2.gz VVTBTPJFVNCUTP-UHFFFAOYSA-N 1 1 396.365 3.986 20 5 GHBDMO Cn1cc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)n1 ZINC001458113194 1063575738 /nfs/dbraw/zinc/57/57/38/1063575738.db2.gz KUMBVGWNRMLGNV-INIZCTEOSA-N 1 1 383.477 3.601 20 5 GHBDMO Cn1cc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)n1 ZINC001458113194 1063575758 /nfs/dbraw/zinc/57/57/58/1063575758.db2.gz KUMBVGWNRMLGNV-INIZCTEOSA-N 1 1 383.477 3.601 20 5 GHBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC001458145722 1063600658 /nfs/dbraw/zinc/60/06/58/1063600658.db2.gz ULRCGQHKQQKTPX-LBPRGKRZSA-N 1 1 380.370 3.867 20 5 GHBDMO Cc1c(CC(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001437027873 1063742230 /nfs/dbraw/zinc/74/22/30/1063742230.db2.gz JMGXUAGOLVGVNL-NRFANRHFSA-N 1 1 395.503 3.957 20 5 GHBDMO CCc1ccc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001458911778 1063959997 /nfs/dbraw/zinc/95/99/97/1063959997.db2.gz GSXTZTQVRDCOIU-IBGZPJMESA-N 1 1 399.516 3.505 20 5 GHBDMO CCc1ccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001458911778 1063959998 /nfs/dbraw/zinc/95/99/98/1063959998.db2.gz GSXTZTQVRDCOIU-IBGZPJMESA-N 1 1 399.516 3.505 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001546153078 1065758129 /nfs/dbraw/zinc/75/81/29/1065758129.db2.gz CBUJMFKRSRKRQW-GOSISDBHSA-N 1 1 385.439 3.861 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1Cc1ccccc1 ZINC001546153078 1065758145 /nfs/dbraw/zinc/75/81/45/1065758145.db2.gz CBUJMFKRSRKRQW-GOSISDBHSA-N 1 1 385.439 3.861 20 5 GHBDMO CCC[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001357607779 1067191028 /nfs/dbraw/zinc/19/10/28/1067191028.db2.gz IIAVXXVOBAMVDZ-HXUWFJFHSA-N 1 1 381.476 3.650 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001468948582 1067935673 /nfs/dbraw/zinc/93/56/73/1067935673.db2.gz ZIIONKUAUKFELP-RBUKOAKNSA-N 1 1 388.512 3.748 20 5 GHBDMO Cc1ccc(CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001469206124 1068028118 /nfs/dbraw/zinc/02/81/18/1068028118.db2.gz HCQYUAKIIJQODU-QGZVFWFLSA-N 1 1 384.480 3.613 20 5 GHBDMO C[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC001360896842 1068679922 /nfs/dbraw/zinc/67/99/22/1068679922.db2.gz RVMWDPZXPAVPRP-UHFFFAOYSA-N 1 1 397.928 3.817 20 5 GHBDMO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C)c(C)c1 ZINC001460790572 1069180211 /nfs/dbraw/zinc/18/02/11/1069180211.db2.gz QTYQVDDVBQSEMU-UHFFFAOYSA-N 1 1 385.464 3.607 20 5 GHBDMO COCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C)c(C)c1 ZINC001460790572 1069180215 /nfs/dbraw/zinc/18/02/15/1069180215.db2.gz QTYQVDDVBQSEMU-UHFFFAOYSA-N 1 1 385.464 3.607 20 5 GHBDMO Cc1ccccc1[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001470831548 1072761038 /nfs/dbraw/zinc/76/10/38/1072761038.db2.gz VGGXOUOKTYRKJT-IBGZPJMESA-N 1 1 387.867 3.662 20 5 GHBDMO Cc1ccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001471081725 1072914867 /nfs/dbraw/zinc/91/48/67/1072914867.db2.gz GESGFGPVBVJNSN-KRWDZBQOSA-N 1 1 396.491 3.567 20 5 GHBDMO C[C@@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001471321601 1073018473 /nfs/dbraw/zinc/01/84/73/1073018473.db2.gz LZJMLYZHPLESKM-QZTJIDSGSA-N 1 1 396.491 3.962 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(N)c1[N+](=O)[O-] ZINC001472227716 1073375327 /nfs/dbraw/zinc/37/53/27/1073375327.db2.gz XDAGNHKRXMWOIG-QGZVFWFLSA-N 1 1 394.475 3.726 20 5 GHBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001472754142 1073651065 /nfs/dbraw/zinc/65/10/65/1073651065.db2.gz QPRYAYYFUUEAMV-HUUCEWRRSA-N 1 1 386.496 3.552 20 5 GHBDMO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001472831828 1073686129 /nfs/dbraw/zinc/68/61/29/1073686129.db2.gz UHLGUSJUOHFUDV-HXUWFJFHSA-N 1 1 384.436 3.850 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC001472851993 1073693898 /nfs/dbraw/zinc/69/38/98/1073693898.db2.gz SHMWJHPVSRPTBW-FUHWJXTLSA-N 1 1 376.460 3.745 20 5 GHBDMO Cc1cc(N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)ccc1[N+](=O)[O-] ZINC001472862318 1073700861 /nfs/dbraw/zinc/70/08/61/1073700861.db2.gz LNAHBAOWEAERRG-PGRDOPGGSA-N 1 1 381.476 3.773 20 5 GHBDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001473270160 1073900314 /nfs/dbraw/zinc/90/03/14/1073900314.db2.gz ONXBHARKERQMSD-KRWDZBQOSA-N 1 1 385.464 3.885 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2cccc(Br)c2)c(Cl)c1 ZINC001473376719 1073939638 /nfs/dbraw/zinc/93/96/38/1073939638.db2.gz HSGJVGSEDVFSAC-HNNXBMFYSA-N 1 1 385.645 3.834 20 5 GHBDMO CC1CCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC001473455301 1073972065 /nfs/dbraw/zinc/97/20/65/1073972065.db2.gz IQEMDVYFSHYRHT-SFHVURJKSA-N 1 1 375.469 3.818 20 5 GHBDMO CC1CCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC001473455301 1073972068 /nfs/dbraw/zinc/97/20/68/1073972068.db2.gz IQEMDVYFSHYRHT-SFHVURJKSA-N 1 1 375.469 3.818 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H]3CN(c4ccccc4)CCO3)C2)cc1 ZINC001473486953 1073985485 /nfs/dbraw/zinc/98/54/85/1073985485.db2.gz VRVDDIKFHYSOMB-KNQAVFIVSA-N 1 1 381.476 3.680 20 5 GHBDMO CC(C)(C)c1csc(CC2(O)CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC001473722564 1074107187 /nfs/dbraw/zinc/10/71/87/1074107187.db2.gz VPOSFMYSROEVCM-UHFFFAOYSA-N 1 1 389.521 3.918 20 5 GHBDMO COC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC001473736613 1074116476 /nfs/dbraw/zinc/11/64/76/1074116476.db2.gz WHFTTXUZXDLRQU-HNNXBMFYSA-N 1 1 395.253 3.843 20 5 GHBDMO Cc1ccc(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)cc1[N+](=O)[O-] ZINC001474240288 1074306215 /nfs/dbraw/zinc/30/62/15/1074306215.db2.gz ZBOIXZIETIIOMC-UHFFFAOYSA-N 1 1 378.454 3.997 20 5 GHBDMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C(C)C ZINC001496124844 1079457417 /nfs/dbraw/zinc/45/74/17/1079457417.db2.gz WCUDTAKCRJJCPL-INIZCTEOSA-N 1 1 388.516 3.818 20 5 GHBDMO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000735831420 598759925 /nfs/dbraw/zinc/75/99/25/598759925.db2.gz RHGJTXVPDJVDSH-UHFFFAOYSA-N 1 1 384.415 3.572 20 5 GHBDMO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000735831420 598759927 /nfs/dbraw/zinc/75/99/27/598759927.db2.gz RHGJTXVPDJVDSH-UHFFFAOYSA-N 1 1 384.415 3.572 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cnc2c1 ZINC001164625135 719065517 /nfs/dbraw/zinc/06/55/17/719065517.db2.gz MWNADRNRQKXLHN-LAUBAEHRSA-N 1 1 389.459 3.639 20 5 GHBDMO CC(C)Oc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164628839 719101547 /nfs/dbraw/zinc/10/15/47/719101547.db2.gz OZEQCODMVARQPJ-QUCCMNQESA-N 1 1 396.491 3.878 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000173379310 837698160 /nfs/dbraw/zinc/69/81/60/837698160.db2.gz DEXZRKWGSFPFEY-HNNXBMFYSA-N 1 1 377.466 3.757 20 5 GHBDMO COc1ccc(-c2ccc(CN3CCC[C@@H]4C[N@H+](C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532987 834586677 /nfs/dbraw/zinc/58/66/77/834586677.db2.gz ZOEYVWBRSZKRPP-DNVCBOLYSA-N 1 1 385.464 3.780 20 5 GHBDMO COc1ccc(-c2ccc(CN3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532987 834586681 /nfs/dbraw/zinc/58/66/81/834586681.db2.gz ZOEYVWBRSZKRPP-DNVCBOLYSA-N 1 1 385.464 3.780 20 5 GHBDMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000052429897 834620273 /nfs/dbraw/zinc/62/02/73/834620273.db2.gz FSVQKJWWURBHJO-SFHVURJKSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000052429897 834620279 /nfs/dbraw/zinc/62/02/79/834620279.db2.gz FSVQKJWWURBHJO-SFHVURJKSA-N 1 1 380.404 3.991 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000412214668 837816506 /nfs/dbraw/zinc/81/65/06/837816506.db2.gz GODKOLQAZSXTHL-XLIONFOSSA-N 1 1 383.448 3.557 20 5 GHBDMO Cc1c(-c2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cccc1[N+](=O)[O-] ZINC000583735105 834950273 /nfs/dbraw/zinc/95/02/73/834950273.db2.gz SZBVIEYPTQOCBV-MRXNPFEDSA-N 1 1 379.420 3.728 20 5 GHBDMO Cc1ccc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510081919 834992682 /nfs/dbraw/zinc/99/26/82/834992682.db2.gz CCOZLTXRMVKQLZ-MJGOQNOKSA-N 1 1 381.476 3.934 20 5 GHBDMO Cc1cccc(N2CCC(NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)[nH+]1 ZINC000120261824 834996627 /nfs/dbraw/zinc/99/66/27/834996627.db2.gz RZGYLCKAGIDBEL-UHFFFAOYSA-N 1 1 383.452 3.706 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000430205922 835082270 /nfs/dbraw/zinc/08/22/70/835082270.db2.gz NOOKYLGSAQGAJM-QGZVFWFLSA-N 1 1 393.447 3.768 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H](c4cccs4)C3)o2)c1 ZINC000157536808 835193472 /nfs/dbraw/zinc/19/34/72/835193472.db2.gz VNNNLJVSBVSGFM-KRWDZBQOSA-N 1 1 385.445 3.927 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](c4cccs4)C3)o2)c1 ZINC000157536808 835193477 /nfs/dbraw/zinc/19/34/77/835193477.db2.gz VNNNLJVSBVSGFM-KRWDZBQOSA-N 1 1 385.445 3.927 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000157566691 835228136 /nfs/dbraw/zinc/22/81/36/835228136.db2.gz YEWLADZHTQAGKG-OAHLLOKOSA-N 1 1 377.460 3.851 20 5 GHBDMO Cc1cc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000510103015 835233104 /nfs/dbraw/zinc/23/31/04/835233104.db2.gz YPOSHKFWQRFSSW-IEBWSBKVSA-N 1 1 381.476 3.934 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000510118836 835402180 /nfs/dbraw/zinc/40/21/80/835402180.db2.gz MDDIUCNDPRVBHE-DOTOQJQBSA-N 1 1 385.439 3.764 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274864271 835707663 /nfs/dbraw/zinc/70/76/63/835707663.db2.gz CDKKPANWEYLDRG-UHFFFAOYSA-N 1 1 375.860 3.556 20 5 GHBDMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000584163765 835709297 /nfs/dbraw/zinc/70/92/97/835709297.db2.gz GGNIBNOCOAORCL-KRWDZBQOSA-N 1 1 397.456 3.628 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000581991097 844091658 /nfs/dbraw/zinc/09/16/58/844091658.db2.gz UIYNNUGAYFTHJF-CYBMUJFWSA-N 1 1 387.402 3.856 20 5 GHBDMO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000154693938 835942836 /nfs/dbraw/zinc/94/28/36/835942836.db2.gz CTIGYJWYHPZHME-WNSKOXEYSA-N 1 1 397.294 3.567 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1cccs1)C(C)C ZINC000411186952 836082960 /nfs/dbraw/zinc/08/29/60/836082960.db2.gz RPHBXDBKTWWBEE-UHFFFAOYSA-N 1 1 377.466 3.904 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000411384643 836159785 /nfs/dbraw/zinc/15/97/85/836159785.db2.gz WBOODVQFCNVCQE-UHFFFAOYSA-N 1 1 396.491 3.520 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000548928650 836183822 /nfs/dbraw/zinc/18/38/22/836183822.db2.gz ZHGOEKXDQYOYHO-UHFFFAOYSA-N 1 1 389.818 3.643 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000548928650 836183824 /nfs/dbraw/zinc/18/38/24/836183824.db2.gz ZHGOEKXDQYOYHO-UHFFFAOYSA-N 1 1 389.818 3.643 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000582085252 836244088 /nfs/dbraw/zinc/24/40/88/836244088.db2.gz ZABIGUCTRRZKEJ-PBHICJAKSA-N 1 1 376.840 3.825 20 5 GHBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCC(=O)Nc3ccccc3[N+](=O)[O-])nc2c1 ZINC000411733804 836304932 /nfs/dbraw/zinc/30/49/32/836304932.db2.gz RSZMSAWUZJWAJF-LJQANCHMSA-N 1 1 393.447 3.945 20 5 GHBDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCC(=O)Nc3ccccc3[N+](=O)[O-])nc2c1 ZINC000411733804 836304947 /nfs/dbraw/zinc/30/49/47/836304947.db2.gz RSZMSAWUZJWAJF-LJQANCHMSA-N 1 1 393.447 3.945 20 5 GHBDMO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000411733804 836304959 /nfs/dbraw/zinc/30/49/59/836304959.db2.gz RSZMSAWUZJWAJF-LJQANCHMSA-N 1 1 393.447 3.945 20 5 GHBDMO Cc1ccc2nc([C@H]3CCC[N@H+]3CCC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000411733804 836304974 /nfs/dbraw/zinc/30/49/74/836304974.db2.gz RSZMSAWUZJWAJF-LJQANCHMSA-N 1 1 393.447 3.945 20 5 GHBDMO COCC[N@@H+](CCCc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000065959160 836356250 /nfs/dbraw/zinc/35/62/50/836356250.db2.gz QMMGSFURDJDYQM-UHFFFAOYSA-N 1 1 386.448 3.543 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174188774 836394457 /nfs/dbraw/zinc/39/44/57/836394457.db2.gz MBJAOTMQGXQBSG-SFHVURJKSA-N 1 1 382.464 3.889 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000612556718 836402614 /nfs/dbraw/zinc/40/26/14/836402614.db2.gz RJJJCZGDVPHGEY-AWEZNQCLSA-N 1 1 379.338 3.530 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000612556718 836402619 /nfs/dbraw/zinc/40/26/19/836402619.db2.gz RJJJCZGDVPHGEY-AWEZNQCLSA-N 1 1 379.338 3.530 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000510167799 836487926 /nfs/dbraw/zinc/48/79/26/836487926.db2.gz OIUFDLCIGSDBLM-RDJZCZTQSA-N 1 1 385.439 3.764 20 5 GHBDMO COc1ccc(OCC[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411997971 836488300 /nfs/dbraw/zinc/48/83/00/836488300.db2.gz JQXUZSFWSABMHK-NRFANRHFSA-N 1 1 398.459 3.836 20 5 GHBDMO NC(=O)c1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)c([N+](=O)[O-])c1 ZINC000179996565 836567131 /nfs/dbraw/zinc/56/71/31/836567131.db2.gz FBFCHZHMAOPOKE-UHFFFAOYSA-N 1 1 393.365 3.882 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000175278806 836753836 /nfs/dbraw/zinc/75/38/36/836753836.db2.gz RPGKMMXYJZGAJX-FQEVSTJZSA-N 1 1 381.476 3.508 20 5 GHBDMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000120538341 844232022 /nfs/dbraw/zinc/23/20/22/844232022.db2.gz OUHGYZGZCQQNCA-NSHDSACASA-N 1 1 378.226 3.647 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2[C@H](C)O)cc1OC ZINC000580366486 837340879 /nfs/dbraw/zinc/34/08/79/837340879.db2.gz DXQMTOSKZFYHJC-ZOBUZTSGSA-N 1 1 380.485 3.764 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c2c(c1)COCO2 ZINC000101561568 837954579 /nfs/dbraw/zinc/95/45/79/837954579.db2.gz ARGKZTJGGDCEAQ-UHFFFAOYSA-N 1 1 387.411 3.677 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000535675391 844296612 /nfs/dbraw/zinc/29/66/12/844296612.db2.gz KTIZCOOJNVPCGD-KRWDZBQOSA-N 1 1 377.803 3.625 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000535675391 844296624 /nfs/dbraw/zinc/29/66/24/844296624.db2.gz KTIZCOOJNVPCGD-KRWDZBQOSA-N 1 1 377.803 3.625 20 5 GHBDMO O=C(CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2ccccc2C1 ZINC000189126988 838200024 /nfs/dbraw/zinc/20/00/24/838200024.db2.gz BKFLKIYIPLAYAY-UHFFFAOYSA-N 1 1 379.460 3.534 20 5 GHBDMO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000610001779 838276954 /nfs/dbraw/zinc/27/69/54/838276954.db2.gz YBPTYKLPYZVDPS-FQEVSTJZSA-N 1 1 384.411 3.568 20 5 GHBDMO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000610001779 838276961 /nfs/dbraw/zinc/27/69/61/838276961.db2.gz YBPTYKLPYZVDPS-FQEVSTJZSA-N 1 1 384.411 3.568 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535694857 844316823 /nfs/dbraw/zinc/31/68/23/844316823.db2.gz POHWNIWRQDVTTK-CRAIPNDOSA-N 1 1 392.459 3.717 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188049286 838505379 /nfs/dbraw/zinc/50/53/79/838505379.db2.gz JRUACNBHZSELGM-MRXNPFEDSA-N 1 1 385.489 3.711 20 5 GHBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181488761 838545501 /nfs/dbraw/zinc/54/55/01/838545501.db2.gz UIKYTBYUSZLDNN-CHWSQXEVSA-N 1 1 399.413 3.996 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1C ZINC000548038403 838652774 /nfs/dbraw/zinc/65/27/74/838652774.db2.gz BRUUQMFKPLNGER-WBVHZDCISA-N 1 1 377.488 3.626 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2CCOc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000610367977 838723690 /nfs/dbraw/zinc/72/36/90/838723690.db2.gz WLNFJINOIUEULE-KRWDZBQOSA-N 1 1 386.448 3.698 20 5 GHBDMO CC(C)Oc1cc(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000412346722 838896715 /nfs/dbraw/zinc/89/67/15/838896715.db2.gz MUXVXQWRWYQFAT-UHFFFAOYSA-N 1 1 389.452 3.569 20 5 GHBDMO COc1ccc(CNC[C@@]2(C)CCC[NH2+]C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414903938 838968235 /nfs/dbraw/zinc/96/82/35/838968235.db2.gz JADZONYULGDUQI-QFIPXVFZSA-N 1 1 399.491 3.662 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000580194979 839035131 /nfs/dbraw/zinc/03/51/31/839035131.db2.gz JQBALDPJTFRWMH-UWJYYQICSA-N 1 1 395.503 3.899 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415123328 839243320 /nfs/dbraw/zinc/24/33/20/839243320.db2.gz JJXIBHABDGNORS-LPHOPBHVSA-N 1 1 399.491 3.599 20 5 GHBDMO COc1cc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415123328 839243330 /nfs/dbraw/zinc/24/33/30/839243330.db2.gz JJXIBHABDGNORS-LPHOPBHVSA-N 1 1 399.491 3.599 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000471572912 839479828 /nfs/dbraw/zinc/47/98/28/839479828.db2.gz VZNRJOOOJHOFEQ-IGOJGBNBSA-N 1 1 382.464 3.873 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cc1OC ZINC000412086913 839482664 /nfs/dbraw/zinc/48/26/64/839482664.db2.gz OSWNXAYPYFVHMY-JYJNAYRXSA-N 1 1 380.485 3.621 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610451757 840028133 /nfs/dbraw/zinc/02/81/33/840028133.db2.gz HPXRCHQSYSGBCW-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610451757 840028138 /nfs/dbraw/zinc/02/81/38/840028138.db2.gz HPXRCHQSYSGBCW-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610451757 840028143 /nfs/dbraw/zinc/02/81/43/840028143.db2.gz HPXRCHQSYSGBCW-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCOc1ccc(F)cc1 ZINC000015101399 840192554 /nfs/dbraw/zinc/19/25/54/840192554.db2.gz BTWNPEYMCGTQPI-LBPRGKRZSA-N 1 1 395.818 3.725 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000015101399 840192559 /nfs/dbraw/zinc/19/25/59/840192559.db2.gz BTWNPEYMCGTQPI-LBPRGKRZSA-N 1 1 395.818 3.725 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000126181654 840681058 /nfs/dbraw/zinc/68/10/58/840681058.db2.gz ZDGDYHMKNZETIE-UHFFFAOYSA-N 1 1 396.491 3.871 20 5 GHBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000511769503 840692731 /nfs/dbraw/zinc/69/27/31/840692731.db2.gz PWFBKVYVBPZLSL-FQEVSTJZSA-N 1 1 397.475 3.634 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000511841047 840914059 /nfs/dbraw/zinc/91/40/59/840914059.db2.gz FKLBGTZBHMHDOE-NSHGMRRFSA-N 1 1 395.459 3.810 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC001167746005 841337791 /nfs/dbraw/zinc/33/77/91/841337791.db2.gz OKNPMWNLYROWCZ-IBGZPJMESA-N 1 1 398.463 3.650 20 5 GHBDMO CN1C[C@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1=O ZINC000600178238 861194179 /nfs/dbraw/zinc/19/41/79/861194179.db2.gz IQXCXIZTTROOPR-MRXNPFEDSA-N 1 1 387.411 3.579 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000500072790 841371499 /nfs/dbraw/zinc/37/14/99/841371499.db2.gz IEZLOYLTCNAOFH-IBGZPJMESA-N 1 1 396.491 3.520 20 5 GHBDMO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000500072790 841371512 /nfs/dbraw/zinc/37/15/12/841371512.db2.gz IEZLOYLTCNAOFH-IBGZPJMESA-N 1 1 396.491 3.520 20 5 GHBDMO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000500072790 841371517 /nfs/dbraw/zinc/37/15/17/841371517.db2.gz IEZLOYLTCNAOFH-IBGZPJMESA-N 1 1 396.491 3.520 20 5 GHBDMO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1COc2ccccc2O1 ZINC000610581118 841406173 /nfs/dbraw/zinc/40/61/73/841406173.db2.gz MZOLLGCAXZCGOY-HNNXBMFYSA-N 1 1 383.404 3.788 20 5 GHBDMO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1COc2ccccc2O1 ZINC000610581118 841406180 /nfs/dbraw/zinc/40/61/80/841406180.db2.gz MZOLLGCAXZCGOY-HNNXBMFYSA-N 1 1 383.404 3.788 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000014932157 841437319 /nfs/dbraw/zinc/43/73/19/841437319.db2.gz LEEBYYKWIQQXLP-VXGBXAGGSA-N 1 1 377.828 3.935 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024663914 841588868 /nfs/dbraw/zinc/58/88/68/841588868.db2.gz BHJRFLVLEXQKEH-HNNXBMFYSA-N 1 1 394.431 3.863 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024663914 841588871 /nfs/dbraw/zinc/58/88/71/841588871.db2.gz BHJRFLVLEXQKEH-HNNXBMFYSA-N 1 1 394.431 3.863 20 5 GHBDMO Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000613779285 841595401 /nfs/dbraw/zinc/59/54/01/841595401.db2.gz OUVYBLSFWUOWJI-SFHVURJKSA-N 1 1 382.464 3.937 20 5 GHBDMO C[C@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055466391 861220548 /nfs/dbraw/zinc/22/05/48/861220548.db2.gz LSNRSXNNFGKRTF-ZACQAIPSSA-N 1 1 397.475 3.695 20 5 GHBDMO CNC(=O)c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000053571954 841805045 /nfs/dbraw/zinc/80/50/45/841805045.db2.gz HIUMMBSBDRKIMH-INIZCTEOSA-N 1 1 396.491 3.798 20 5 GHBDMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000109347997 841872599 /nfs/dbraw/zinc/87/25/99/841872599.db2.gz UXHBVSNBUAANQW-YJBOKZPZSA-N 1 1 385.439 3.823 20 5 GHBDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000466938250 841880045 /nfs/dbraw/zinc/88/00/45/841880045.db2.gz BLTSQRRUPIITRS-QGZVFWFLSA-N 1 1 381.432 3.730 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000110383527 841900998 /nfs/dbraw/zinc/90/09/98/841900998.db2.gz PRBAIMLBDZDLQC-YQQQUEKLSA-N 1 1 379.460 3.829 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)s2)cc1 ZINC000600206292 861276502 /nfs/dbraw/zinc/27/65/02/861276502.db2.gz DLOZMNBARSMNCH-LEHBWIKQSA-N 1 1 376.503 3.809 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000023875477 842174999 /nfs/dbraw/zinc/17/49/99/842174999.db2.gz NQXGQBJLFUBWHF-UHFFFAOYSA-N 1 1 396.834 3.759 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000603859480 861283937 /nfs/dbraw/zinc/28/39/37/861283937.db2.gz BDVVNBWDPYSBLP-MRXNPFEDSA-N 1 1 383.477 3.601 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000603859480 861283956 /nfs/dbraw/zinc/28/39/56/861283956.db2.gz BDVVNBWDPYSBLP-MRXNPFEDSA-N 1 1 383.477 3.601 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000599532884 861295875 /nfs/dbraw/zinc/29/58/75/861295875.db2.gz AUPDHARJAIHOOS-UHFFFAOYSA-N 1 1 384.461 3.976 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000247383400 842450036 /nfs/dbraw/zinc/45/00/36/842450036.db2.gz FTOGLCBTHWTFGE-YJBOKZPZSA-N 1 1 388.493 3.539 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000408351875 842742681 /nfs/dbraw/zinc/74/26/81/842742681.db2.gz JQEXDLZCLPGPJT-XQQFMLRXSA-N 1 1 383.290 3.594 20 5 GHBDMO C[N@@H+](CCCOc1ccc(F)cc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898056 842767363 /nfs/dbraw/zinc/76/73/63/842767363.db2.gz USJKVUDALRVDGJ-UHFFFAOYSA-N 1 1 384.411 3.956 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600229022 861350543 /nfs/dbraw/zinc/35/05/43/861350543.db2.gz NPPGZXAVBCKJIB-RHSMWYFYSA-N 1 1 377.510 3.599 20 5 GHBDMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000603901518 861356558 /nfs/dbraw/zinc/35/65/58/861356558.db2.gz ZIYAKFAUGHQSLG-QFIPXVFZSA-N 1 1 391.427 3.921 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000302773294 861358621 /nfs/dbraw/zinc/35/86/21/861358621.db2.gz NTONAUKQJKLSFR-KRWDZBQOSA-N 1 1 375.856 3.817 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430881194 843123969 /nfs/dbraw/zinc/12/39/69/843123969.db2.gz ZBKRAWCXUOJIOH-BLMOFCDVSA-N 1 1 379.460 3.983 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610643976 843348433 /nfs/dbraw/zinc/34/84/33/843348433.db2.gz PDJJOJXXIIPKSG-XLIONFOSSA-N 1 1 396.491 3.880 20 5 GHBDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000510749594 843401029 /nfs/dbraw/zinc/40/10/29/843401029.db2.gz LDSIBTQEELNLCK-LJQANCHMSA-N 1 1 392.839 3.825 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000178385632 843547190 /nfs/dbraw/zinc/54/71/90/843547190.db2.gz VAJJPLAHEAZVIJ-UHFFFAOYSA-N 1 1 390.528 3.681 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000728912651 843563320 /nfs/dbraw/zinc/56/33/20/843563320.db2.gz ULYLVUAPWDSBRQ-UHFFFAOYSA-N 1 1 380.423 3.600 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000512375195 843584014 /nfs/dbraw/zinc/58/40/14/843584014.db2.gz NRFVZVPFGBQUTI-UHFFFAOYSA-N 1 1 389.496 3.654 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001266938854 843621981 /nfs/dbraw/zinc/62/19/81/843621981.db2.gz RQTDIQIBJFPSFG-OAHLLOKOSA-N 1 1 388.237 3.508 20 5 GHBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065116159 843796048 /nfs/dbraw/zinc/79/60/48/843796048.db2.gz BYFKGSQTCTZHJV-KBPBESRZSA-N 1 1 388.493 3.569 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065116162 843796193 /nfs/dbraw/zinc/79/61/93/843796193.db2.gz LZVNVMBJCWXWIT-UONOGXRCSA-N 1 1 388.493 3.569 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000128882791 844837597 /nfs/dbraw/zinc/83/75/97/844837597.db2.gz ZFBQZCHTYKIPJL-IAGOWNOFSA-N 1 1 376.501 3.631 20 5 GHBDMO CSc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000614444273 844889001 /nfs/dbraw/zinc/88/90/01/844889001.db2.gz AXGSIAVVHRZLFN-UHFFFAOYSA-N 1 1 382.445 3.741 20 5 GHBDMO COC[C@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCc2ccccc21 ZINC000599683305 861522317 /nfs/dbraw/zinc/52/23/17/861522317.db2.gz QTMCROIEVCNEQL-XOBRGWDASA-N 1 1 380.448 3.996 20 5 GHBDMO COC[C@H](C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCc2ccccc21 ZINC000599683305 861522321 /nfs/dbraw/zinc/52/23/21/861522321.db2.gz QTMCROIEVCNEQL-XOBRGWDASA-N 1 1 380.448 3.996 20 5 GHBDMO COC[C@H](C)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21 ZINC000599683243 861523939 /nfs/dbraw/zinc/52/39/39/861523939.db2.gz OWMJYGNLSXHSTA-BTYIYWSLSA-N 1 1 398.459 3.986 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000458333346 845039044 /nfs/dbraw/zinc/03/90/44/845039044.db2.gz OTDFBJDRMBAKSW-HKUYNNGSSA-N 1 1 388.512 3.604 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433062985 845111293 /nfs/dbraw/zinc/11/12/93/845111293.db2.gz QUTOSPCUNZIONT-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433062985 845111298 /nfs/dbraw/zinc/11/12/98/845111298.db2.gz QUTOSPCUNZIONT-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl ZINC000182426876 845441522 /nfs/dbraw/zinc/44/15/22/845441522.db2.gz LOLBKAHQPJXOOS-LLVKDONJSA-N 1 1 386.832 3.512 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000611560693 845461338 /nfs/dbraw/zinc/46/13/38/845461338.db2.gz VKNLVGZDHYTKPE-UHOSZYNNSA-N 1 1 386.496 3.849 20 5 GHBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555707918 861615971 /nfs/dbraw/zinc/61/59/71/861615971.db2.gz XBIZDYXUYNIPHG-GOSISDBHSA-N 1 1 392.463 3.788 20 5 GHBDMO Cc1cnc(CC[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000157419767 845951453 /nfs/dbraw/zinc/95/14/53/845951453.db2.gz BVJHBGJTBKVMKP-LLVKDONJSA-N 1 1 382.873 3.515 20 5 GHBDMO Cc1cnc(CC[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000157419767 845951457 /nfs/dbraw/zinc/95/14/57/845951457.db2.gz BVJHBGJTBKVMKP-LLVKDONJSA-N 1 1 382.873 3.515 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000072009537 846198474 /nfs/dbraw/zinc/19/84/74/846198474.db2.gz SMLQTKDMMDJMBA-KRWDZBQOSA-N 1 1 381.476 3.686 20 5 GHBDMO COc1ccc(C)cc1CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513678129 846225121 /nfs/dbraw/zinc/22/51/21/846225121.db2.gz IIIWEJIYGPYZSK-FQEVSTJZSA-N 1 1 380.448 3.567 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000421490453 846282971 /nfs/dbraw/zinc/28/29/71/846282971.db2.gz YMIXATPNFTYUFS-XLIONFOSSA-N 1 1 381.476 3.852 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280261741 846344900 /nfs/dbraw/zinc/34/49/00/846344900.db2.gz XTYVBKMRNVDQCG-WMZOPIPTSA-N 1 1 397.475 3.634 20 5 GHBDMO CC[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000582099378 846353959 /nfs/dbraw/zinc/35/39/59/846353959.db2.gz GBLLLNMGNCHDCV-OXQOHEQNSA-N 1 1 381.476 3.651 20 5 GHBDMO O=[N+]([O-])c1cccc(CN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000551387046 846358051 /nfs/dbraw/zinc/35/80/51/846358051.db2.gz MXKQZEPJBCNALV-QHCPKHFHSA-N 1 1 395.503 3.850 20 5 GHBDMO CCC[N@@H+](CCc1cccs1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000766027932 861670305 /nfs/dbraw/zinc/67/03/05/861670305.db2.gz PYXUNQCPKZKTMS-UHFFFAOYSA-N 1 1 388.493 3.811 20 5 GHBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000051452557 846418540 /nfs/dbraw/zinc/41/85/40/846418540.db2.gz LTCOGPBKORMLLF-UHFFFAOYSA-N 1 1 395.381 3.905 20 5 GHBDMO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413125819 846677479 /nfs/dbraw/zinc/67/74/79/846677479.db2.gz JDHXMXWRHCCRFR-SFHVURJKSA-N 1 1 398.488 3.714 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413221039 846952002 /nfs/dbraw/zinc/95/20/02/846952002.db2.gz RKDFOMBEEDVTAP-UHFFFAOYSA-N 1 1 386.496 3.718 20 5 GHBDMO COC(=O)c1ccc(F)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000511112016 847076919 /nfs/dbraw/zinc/07/69/19/847076919.db2.gz RGMYRQHLVODDFE-UHFFFAOYSA-N 1 1 388.395 3.564 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1C(F)(F)F ZINC000511118890 847171722 /nfs/dbraw/zinc/17/17/22/847171722.db2.gz BNYLAGIUZBURLW-HNNXBMFYSA-N 1 1 398.381 3.528 20 5 GHBDMO O=C1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1Cc1ccccc1C(F)(F)F ZINC000183811719 847178430 /nfs/dbraw/zinc/17/84/30/847178430.db2.gz DWEQBTGADHRLHM-ZDUSSCGKSA-N 1 1 399.394 3.566 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCOCC2)c2cccnc21 ZINC000501926558 847326064 /nfs/dbraw/zinc/32/60/64/847326064.db2.gz ZMMTUQMAIJDQED-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO CCOc1cc(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000503270362 847539787 /nfs/dbraw/zinc/53/97/87/847539787.db2.gz PJMPAGDSVTVYFS-LJQANCHMSA-N 1 1 393.443 3.686 20 5 GHBDMO COc1cccc(C2=CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000479882540 847928554 /nfs/dbraw/zinc/92/85/54/847928554.db2.gz GEDGOVDNFDCPET-UHFFFAOYSA-N 1 1 381.432 3.721 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000162617846 861855465 /nfs/dbraw/zinc/85/54/65/861855465.db2.gz ZKECWXWEEYYZAC-HNNXBMFYSA-N 1 1 379.526 3.805 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]1c1cccs1 ZINC000611709360 848217978 /nfs/dbraw/zinc/21/79/78/848217978.db2.gz TXCVEUNPJDKERX-FZKQIMNGSA-N 1 1 383.477 3.516 20 5 GHBDMO CC[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000612664571 848719812 /nfs/dbraw/zinc/71/98/12/848719812.db2.gz YIDODYVGNCBIHE-KRWDZBQOSA-N 1 1 377.448 3.639 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000132348804 862028639 /nfs/dbraw/zinc/02/86/39/862028639.db2.gz QNRYVPUYBUBFLY-WMZOPIPTSA-N 1 1 397.475 3.729 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000563633026 849659188 /nfs/dbraw/zinc/65/91/88/849659188.db2.gz XENSARYQGYZXIT-FQEVSTJZSA-N 1 1 381.476 3.854 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000434894056 849863866 /nfs/dbraw/zinc/86/38/66/849863866.db2.gz CYTAFPQCXGTTBV-MAUKXSAKSA-N 1 1 383.448 3.810 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000434894056 849863879 /nfs/dbraw/zinc/86/38/79/849863879.db2.gz CYTAFPQCXGTTBV-MAUKXSAKSA-N 1 1 383.448 3.810 20 5 GHBDMO Cc1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000425237128 849883457 /nfs/dbraw/zinc/88/34/57/849883457.db2.gz KRIBCVKPDPMIEP-INIZCTEOSA-N 1 1 391.475 3.906 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000504566408 850151031 /nfs/dbraw/zinc/15/10/31/850151031.db2.gz RKUBGGJKUSFQLZ-KRWDZBQOSA-N 1 1 375.375 3.691 20 5 GHBDMO CCC[N@H+](CC(N)=O)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000430122515 850167027 /nfs/dbraw/zinc/16/70/27/850167027.db2.gz IDUUPVCUXPXGJO-UHFFFAOYSA-N 1 1 377.828 3.738 20 5 GHBDMO CCC[N@@H+](CC(N)=O)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000430122515 850167032 /nfs/dbraw/zinc/16/70/32/850167032.db2.gz IDUUPVCUXPXGJO-UHFFFAOYSA-N 1 1 377.828 3.738 20 5 GHBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000430126952 850172755 /nfs/dbraw/zinc/17/27/55/850172755.db2.gz VXVGRLONYSYAPM-AAEUAGOBSA-N 1 1 395.253 3.963 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000732187833 862112965 /nfs/dbraw/zinc/11/29/65/862112965.db2.gz YNBFACHQXOENPJ-GOSISDBHSA-N 1 1 391.475 3.622 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)s1 ZINC000486978695 850310035 /nfs/dbraw/zinc/31/00/35/850310035.db2.gz CINJBWJXLXMPQV-UHFFFAOYSA-N 1 1 399.476 3.591 20 5 GHBDMO Cc1c(NC(=O)N2CCC[N@H+](C(C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435322140 850352817 /nfs/dbraw/zinc/35/28/17/850352817.db2.gz AHISQZOHSNMZCI-UHFFFAOYSA-N 1 1 399.289 3.614 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000514832643 850365254 /nfs/dbraw/zinc/36/52/54/850365254.db2.gz RATIHFLTQZJCEE-SFHVURJKSA-N 1 1 396.491 3.669 20 5 GHBDMO CCOc1ccc([C@@H](C)NCC(C)(C)[NH+]2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000504905869 850436801 /nfs/dbraw/zinc/43/68/01/850436801.db2.gz OZUXAMYYXPLZQS-OAHLLOKOSA-N 1 1 379.501 3.534 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487273765 850633242 /nfs/dbraw/zinc/63/32/42/850633242.db2.gz VCNQHIWXXFPCKW-GDBMZVCRSA-N 1 1 387.867 3.889 20 5 GHBDMO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000425402605 850781515 /nfs/dbraw/zinc/78/15/15/850781515.db2.gz IVOIDXBYTWAFCU-QGZVFWFLSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000425402605 850781518 /nfs/dbraw/zinc/78/15/18/850781518.db2.gz IVOIDXBYTWAFCU-QGZVFWFLSA-N 1 1 395.253 3.531 20 5 GHBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425012028 850863048 /nfs/dbraw/zinc/86/30/48/850863048.db2.gz YOOFFHOLHVZQCR-HNAYVOBHSA-N 1 1 385.851 3.595 20 5 GHBDMO COc1cccc(C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000604442767 862180956 /nfs/dbraw/zinc/18/09/56/862180956.db2.gz GKJNKHBOYNZASY-LJQANCHMSA-N 1 1 386.448 3.663 20 5 GHBDMO CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000434230887 850910414 /nfs/dbraw/zinc/91/04/14/850910414.db2.gz YGRQYXDLKXNCBP-NVXWUHKLSA-N 1 1 399.495 3.739 20 5 GHBDMO CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000434230887 850910418 /nfs/dbraw/zinc/91/04/18/850910418.db2.gz YGRQYXDLKXNCBP-NVXWUHKLSA-N 1 1 399.495 3.739 20 5 GHBDMO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000184019839 850961889 /nfs/dbraw/zinc/96/18/89/850961889.db2.gz WVDDXQIMPDOKSG-GOSISDBHSA-N 1 1 383.448 3.562 20 5 GHBDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000184019839 850961897 /nfs/dbraw/zinc/96/18/97/850961897.db2.gz WVDDXQIMPDOKSG-GOSISDBHSA-N 1 1 383.448 3.562 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000506832692 851101923 /nfs/dbraw/zinc/10/19/23/851101923.db2.gz NFFVRKHKLCNEFP-UHFFFAOYSA-N 1 1 375.400 3.592 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000506832692 851101928 /nfs/dbraw/zinc/10/19/28/851101928.db2.gz NFFVRKHKLCNEFP-UHFFFAOYSA-N 1 1 375.400 3.592 20 5 GHBDMO COC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000425460583 851184575 /nfs/dbraw/zinc/18/45/75/851184575.db2.gz RCAVRCLLHLTZHY-OAHLLOKOSA-N 1 1 383.217 3.974 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000514092547 851232372 /nfs/dbraw/zinc/23/23/72/851232372.db2.gz FFMWMKASBYEVLB-UEXGIBASSA-N 1 1 399.539 3.765 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000570119775 851396803 /nfs/dbraw/zinc/39/68/03/851396803.db2.gz JWJNEUJCXSZFOG-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000570119775 851396813 /nfs/dbraw/zinc/39/68/13/851396813.db2.gz JWJNEUJCXSZFOG-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000436381503 851537651 /nfs/dbraw/zinc/53/76/51/851537651.db2.gz AXOXVBOWZJYPNY-OAHLLOKOSA-N 1 1 394.397 3.985 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436384425 851542152 /nfs/dbraw/zinc/54/21/52/851542152.db2.gz FRSSHOJNELVAQG-MRXNPFEDSA-N 1 1 376.457 3.522 20 5 GHBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C2 ZINC000436395705 851565938 /nfs/dbraw/zinc/56/59/38/851565938.db2.gz YCSYUXIRIWEDRQ-SNVBAGLBSA-N 1 1 383.374 3.930 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434738093 851603571 /nfs/dbraw/zinc/60/35/71/851603571.db2.gz QZMCBPFIDGJNTM-QFIPXVFZSA-N 1 1 397.475 3.904 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000163125336 862290946 /nfs/dbraw/zinc/29/09/46/862290946.db2.gz PRAUZNGSXPOZNR-GOSISDBHSA-N 1 1 382.464 3.889 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000515918566 851945511 /nfs/dbraw/zinc/94/55/11/851945511.db2.gz IPZWIFDFDBSMKU-SBNBMVPLSA-N 1 1 399.413 3.779 20 5 GHBDMO C[N@H+](Cc1cccc2ccccc21)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000517506117 852041680 /nfs/dbraw/zinc/04/16/80/852041680.db2.gz GAWDUPVOAJMWAS-FQEVSTJZSA-N 1 1 389.411 3.512 20 5 GHBDMO C[N@@H+](Cc1cccc2ccccc21)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000517506117 852041685 /nfs/dbraw/zinc/04/16/85/852041685.db2.gz GAWDUPVOAJMWAS-FQEVSTJZSA-N 1 1 389.411 3.512 20 5 GHBDMO C[C@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000516262261 852360713 /nfs/dbraw/zinc/36/07/13/852360713.db2.gz CRKKXIOZBWSMKM-XHSDSOJGSA-N 1 1 376.501 3.712 20 5 GHBDMO Cc1c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000489524076 852410285 /nfs/dbraw/zinc/41/02/85/852410285.db2.gz JTEUUSIHYIIXNI-QAPCUYQASA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489633426 852498550 /nfs/dbraw/zinc/49/85/50/852498550.db2.gz RTKNEDOLZQRUQI-IAGOWNOFSA-N 1 1 384.480 3.784 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C1CC1 ZINC000507167873 852618055 /nfs/dbraw/zinc/61/80/55/852618055.db2.gz OYSCMMMSYDBJNC-UHFFFAOYSA-N 1 1 392.415 3.878 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C1CC1 ZINC000507167873 852618062 /nfs/dbraw/zinc/61/80/62/852618062.db2.gz OYSCMMMSYDBJNC-UHFFFAOYSA-N 1 1 392.415 3.878 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000729475927 853162671 /nfs/dbraw/zinc/16/26/71/853162671.db2.gz ATWOZDOHJPUQGX-MRXNPFEDSA-N 1 1 393.484 3.553 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c2ccncc21 ZINC000029525966 853177960 /nfs/dbraw/zinc/17/79/60/853177960.db2.gz OCOQOXYWBRZPRE-NRFANRHFSA-N 1 1 378.432 3.628 20 5 GHBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2sc(Sc3ccccc3)nc2Cl)c1 ZINC000151267907 853237758 /nfs/dbraw/zinc/23/77/58/853237758.db2.gz SUBVZONKQBUYIN-UHFFFAOYSA-N 1 1 395.897 3.842 20 5 GHBDMO CN(C)C(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000519656065 853342641 /nfs/dbraw/zinc/34/26/41/853342641.db2.gz SHYRTQMUIZEMTI-QGZVFWFLSA-N 1 1 395.381 3.923 20 5 GHBDMO Cn1ccnc1[C@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000519657672 853343525 /nfs/dbraw/zinc/34/35/25/853343525.db2.gz XYBRKIIQVRBAOC-HXUWFJFHSA-N 1 1 385.512 3.662 20 5 GHBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000518475392 853391754 /nfs/dbraw/zinc/39/17/54/853391754.db2.gz SNSPUHDIBLOMGU-ZWKOTPCHSA-N 1 1 397.258 3.871 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(F)c(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491032171 853410197 /nfs/dbraw/zinc/41/01/97/853410197.db2.gz AZMWVBNYGQBSDR-UHFFFAOYSA-N 1 1 384.354 3.985 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491034457 853413823 /nfs/dbraw/zinc/41/38/23/853413823.db2.gz SODFLOGIIWEFMI-UHFFFAOYSA-N 1 1 384.354 3.985 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000587185763 853648640 /nfs/dbraw/zinc/64/86/40/853648640.db2.gz YNBDPLNFJBZHSO-UHFFFAOYSA-N 1 1 383.477 3.620 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H]1C1CC1)Nc1cc(N2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000591013121 853719665 /nfs/dbraw/zinc/71/96/65/853719665.db2.gz WKTZOJGRAOUNPH-PMACEKPBSA-N 1 1 398.507 3.787 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000587978363 854056566 /nfs/dbraw/zinc/05/65/66/854056566.db2.gz VILUNUIBMRZZDD-ZIAGYGMSSA-N 1 1 375.498 3.690 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000120894210 854075600 /nfs/dbraw/zinc/07/56/00/854075600.db2.gz KHSCGZBNINWRNT-KSSFIOAISA-N 1 1 389.477 3.755 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000120894210 854075603 /nfs/dbraw/zinc/07/56/03/854075603.db2.gz KHSCGZBNINWRNT-KSSFIOAISA-N 1 1 389.477 3.755 20 5 GHBDMO CC(C)OCC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000184479237 854404560 /nfs/dbraw/zinc/40/45/60/854404560.db2.gz YCQHAFBRJCVJMW-GOSISDBHSA-N 1 1 391.855 3.943 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H](O)C(F)(F)F ZINC000589197962 854743153 /nfs/dbraw/zinc/74/31/53/854743153.db2.gz GGSGYPYQJPIWSE-AWEZNQCLSA-N 1 1 378.734 3.863 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H](O)C(F)(F)F ZINC000589197962 854743159 /nfs/dbraw/zinc/74/31/59/854743159.db2.gz GGSGYPYQJPIWSE-AWEZNQCLSA-N 1 1 378.734 3.863 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H](C)Cc2ccc(OC)cc2)c1 ZINC000589503302 854912594 /nfs/dbraw/zinc/91/25/94/854912594.db2.gz PSCKVUFJARTLQL-OAHLLOKOSA-N 1 1 386.448 3.701 20 5 GHBDMO C[C@H]1C[C@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000301551180 855241616 /nfs/dbraw/zinc/24/16/16/855241616.db2.gz QNNAPAUYGCMCRW-GOEBONIOSA-N 1 1 393.447 3.709 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)Nc1cc(N2CC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000591029757 855726678 /nfs/dbraw/zinc/72/66/78/855726678.db2.gz KLTBOYYQXYVOGJ-FVCZOJIISA-N 1 1 398.507 3.787 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](Cc3ccc(F)cc3)C3CCOCC3)nc2c1 ZINC000554256910 855867030 /nfs/dbraw/zinc/86/70/30/855867030.db2.gz AJUARQRWOBHGRW-UHFFFAOYSA-N 1 1 384.411 3.791 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](Cc3ccc(F)cc3)C3CCOCC3)nc2c1 ZINC000554256910 855867064 /nfs/dbraw/zinc/86/70/64/855867064.db2.gz AJUARQRWOBHGRW-UHFFFAOYSA-N 1 1 384.411 3.791 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000554279351 855882181 /nfs/dbraw/zinc/88/21/81/855882181.db2.gz JJPPXVDGHYRUTD-ROUUACIJSA-N 1 1 399.491 3.718 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007421227 856289534 /nfs/dbraw/zinc/28/95/34/856289534.db2.gz HRGWTOJVLLGYLB-GFCCVEGCSA-N 1 1 379.363 3.655 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007421227 856289541 /nfs/dbraw/zinc/28/95/41/856289541.db2.gz HRGWTOJVLLGYLB-GFCCVEGCSA-N 1 1 379.363 3.655 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000554868739 856319732 /nfs/dbraw/zinc/31/97/32/856319732.db2.gz KOWARJJELSSDQO-RTBURBONSA-N 1 1 386.448 3.528 20 5 GHBDMO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000172021701 856322166 /nfs/dbraw/zinc/32/21/66/856322166.db2.gz MDLOGGVPTKBQSM-UHFFFAOYSA-N 1 1 379.888 3.719 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000172328353 856400727 /nfs/dbraw/zinc/40/07/27/856400727.db2.gz ONKLTDRVBMMKIH-CVEARBPZSA-N 1 1 390.484 3.722 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000091685574 856547761 /nfs/dbraw/zinc/54/77/61/856547761.db2.gz WPQNFLGVQZJHHY-YXOJNZSOSA-N 1 1 380.448 3.662 20 5 GHBDMO CN(C)c1ccccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130763 856669513 /nfs/dbraw/zinc/66/95/13/856669513.db2.gz MWSIBJWWDUTNTD-MXVIHJGJSA-N 1 1 383.492 3.967 20 5 GHBDMO CCOc1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592133083 856678667 /nfs/dbraw/zinc/67/86/67/856678667.db2.gz SGIYZZVEGJWODK-WGSAOQKQSA-N 1 1 385.464 3.694 20 5 GHBDMO CCOc1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592133083 856678671 /nfs/dbraw/zinc/67/86/71/856678671.db2.gz SGIYZZVEGJWODK-WGSAOQKQSA-N 1 1 385.464 3.694 20 5 GHBDMO CCCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCc2ncsc2C1 ZINC000592188400 856685164 /nfs/dbraw/zinc/68/51/64/856685164.db2.gz OQBBJPWGZMULAA-AWEZNQCLSA-N 1 1 388.493 3.649 20 5 GHBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000173020470 856695957 /nfs/dbraw/zinc/69/59/57/856695957.db2.gz CEQAIYNPYAPTIL-UHFFFAOYSA-N 1 1 385.445 3.811 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000173020470 856695960 /nfs/dbraw/zinc/69/59/60/856695960.db2.gz CEQAIYNPYAPTIL-UHFFFAOYSA-N 1 1 385.445 3.811 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000542915508 856786878 /nfs/dbraw/zinc/78/68/78/856786878.db2.gz OGLIDSHOPBTWAN-JZXOWHBKSA-N 1 1 393.528 3.943 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cc1OC ZINC000542918264 856810487 /nfs/dbraw/zinc/81/04/87/856810487.db2.gz WCRCBFUFFQTKER-ZMSDIMECSA-N 1 1 380.485 3.764 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245406609 856824954 /nfs/dbraw/zinc/82/49/54/856824954.db2.gz XXXFJVYAJGGGSS-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245406609 856824959 /nfs/dbraw/zinc/82/49/59/856824959.db2.gz XXXFJVYAJGGGSS-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000733299307 862845722 /nfs/dbraw/zinc/84/57/22/862845722.db2.gz NGKMHYIARRCVMU-NRFANRHFSA-N 1 1 377.448 3.865 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1[N+](=O)[O-] ZINC000429246347 857185522 /nfs/dbraw/zinc/18/55/22/857185522.db2.gz OBJIEWYISGFBKA-UHFFFAOYSA-N 1 1 386.433 3.775 20 5 GHBDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246096625 857230355 /nfs/dbraw/zinc/23/03/55/857230355.db2.gz AOSRTRFIRWGLDN-JKSUJKDBSA-N 1 1 397.479 3.627 20 5 GHBDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246096625 857230362 /nfs/dbraw/zinc/23/03/62/857230362.db2.gz AOSRTRFIRWGLDN-JKSUJKDBSA-N 1 1 397.479 3.627 20 5 GHBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC000520808843 857237683 /nfs/dbraw/zinc/23/76/83/857237683.db2.gz VIUDEONSKBFEPH-OAHLLOKOSA-N 1 1 379.526 3.805 20 5 GHBDMO COc1cc(C[NH+]2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000593075039 857338402 /nfs/dbraw/zinc/33/84/02/857338402.db2.gz AFGVYBRUYDBACY-UHFFFAOYSA-N 1 1 378.322 3.826 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000593077447 857339283 /nfs/dbraw/zinc/33/92/83/857339283.db2.gz QEAILUXVLSKBQO-GUYCJALGSA-N 1 1 386.452 3.565 20 5 GHBDMO C[C@@H]1C[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301711924 857356751 /nfs/dbraw/zinc/35/67/51/857356751.db2.gz ICGJFVYKHRDXCZ-BETUJISGSA-N 1 1 386.290 3.659 20 5 GHBDMO C[N@H+](CCC(F)(F)F)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000520896704 857381541 /nfs/dbraw/zinc/38/15/41/857381541.db2.gz VOBHDYZTRXHAMN-UHFFFAOYSA-N 1 1 388.127 3.584 20 5 GHBDMO C[N@@H+](CCC(F)(F)F)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000520896704 857381553 /nfs/dbraw/zinc/38/15/53/857381553.db2.gz VOBHDYZTRXHAMN-UHFFFAOYSA-N 1 1 388.127 3.584 20 5 GHBDMO CSc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000174924265 857408270 /nfs/dbraw/zinc/40/82/70/857408270.db2.gz UUBGJOODDOIXMH-KRWDZBQOSA-N 1 1 399.516 3.911 20 5 GHBDMO COC[C@@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000246685579 857431744 /nfs/dbraw/zinc/43/17/44/857431744.db2.gz HKDXLCTUXXEZOB-DYESRHJHSA-N 1 1 397.475 3.941 20 5 GHBDMO COC[C@@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000246685579 857431748 /nfs/dbraw/zinc/43/17/48/857431748.db2.gz HKDXLCTUXXEZOB-DYESRHJHSA-N 1 1 397.475 3.941 20 5 GHBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000055152302 857437870 /nfs/dbraw/zinc/43/78/70/857437870.db2.gz CMZHCDDIVMLXCT-CHWSQXEVSA-N 1 1 375.400 3.729 20 5 GHBDMO COc1cc(C[N@H+](C)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000482304107 862912956 /nfs/dbraw/zinc/91/29/56/862912956.db2.gz FNHFKLPEBUJJFQ-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000482304107 862912962 /nfs/dbraw/zinc/91/29/62/862912962.db2.gz FNHFKLPEBUJJFQ-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO CC1(C)c2ccccc2CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000553007127 857522811 /nfs/dbraw/zinc/52/28/11/857522811.db2.gz HRCMVRYMVREFIJ-UHFFFAOYSA-N 1 1 381.432 3.686 20 5 GHBDMO COc1cccc([C@@H](C)[NH+]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000301754370 857549278 /nfs/dbraw/zinc/54/92/78/857549278.db2.gz WPWSYYDCIWCCFP-CYBMUJFWSA-N 1 1 376.844 3.535 20 5 GHBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058763264 857567200 /nfs/dbraw/zinc/56/72/00/857567200.db2.gz VQLYDTMKDFKINW-HXUWFJFHSA-N 1 1 396.491 3.568 20 5 GHBDMO CC(C)[NH+]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000442273385 857683911 /nfs/dbraw/zinc/68/39/11/857683911.db2.gz PJCAPSAJDJWTCC-UHFFFAOYSA-N 1 1 385.489 3.912 20 5 GHBDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000301790922 857768093 /nfs/dbraw/zinc/76/80/93/857768093.db2.gz NUUCRPCICFYMFX-YWZLYKJASA-N 1 1 383.496 3.739 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000439103197 858342385 /nfs/dbraw/zinc/34/23/85/858342385.db2.gz TZEGLYQKQBTQSF-CQSZACIVSA-N 1 1 375.856 3.807 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000595022814 858355229 /nfs/dbraw/zinc/35/52/29/858355229.db2.gz OJSDSLRVKLDHFK-CVEARBPZSA-N 1 1 384.480 3.875 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000595052522 858380263 /nfs/dbraw/zinc/38/02/63/858380263.db2.gz YVFPFEJFXVHTRC-LLVKDONJSA-N 1 1 398.868 3.511 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1C(F)(F)F ZINC000301885817 858511404 /nfs/dbraw/zinc/51/14/04/858511404.db2.gz PLKLTIOISNQHMF-JKSUJKDBSA-N 1 1 395.381 3.661 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595359676 858517524 /nfs/dbraw/zinc/51/75/24/858517524.db2.gz SHIADKYDFYVHMB-UHFFFAOYSA-N 1 1 392.818 3.633 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000593019714 858540299 /nfs/dbraw/zinc/54/02/99/858540299.db2.gz JEJLXIVPYHCNAI-NSHDSACASA-N 1 1 380.347 3.834 20 5 GHBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000595552580 858565059 /nfs/dbraw/zinc/56/50/59/858565059.db2.gz OHJCOMRUSGYWOZ-CYBMUJFWSA-N 1 1 380.242 3.861 20 5 GHBDMO Cc1noc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000595552580 858565064 /nfs/dbraw/zinc/56/50/64/858565064.db2.gz OHJCOMRUSGYWOZ-CYBMUJFWSA-N 1 1 380.242 3.861 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595755134 858676474 /nfs/dbraw/zinc/67/64/74/858676474.db2.gz GYMFNPNTVUNKGC-LBPRGKRZSA-N 1 1 376.375 3.819 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c2c(c1)COCO2 ZINC000593124960 858695112 /nfs/dbraw/zinc/69/51/12/858695112.db2.gz NQIPARCRJASCQD-ACRUOGEOSA-N 1 1 396.443 3.956 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c2c(c1)COCO2 ZINC000593124960 858695116 /nfs/dbraw/zinc/69/51/16/858695116.db2.gz NQIPARCRJASCQD-ACRUOGEOSA-N 1 1 396.443 3.956 20 5 GHBDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595828527 858701414 /nfs/dbraw/zinc/70/14/14/858701414.db2.gz TXCCYGZAURWLBB-HXUWFJFHSA-N 1 1 378.432 3.961 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001128630554 863059821 /nfs/dbraw/zinc/05/98/21/863059821.db2.gz VBVYWXSENORCCZ-OAQYLSRUSA-N 1 1 381.476 3.617 20 5 GHBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(Cl)cc2c1OCC2 ZINC000922987612 858920097 /nfs/dbraw/zinc/92/00/97/858920097.db2.gz WAFLHGYIZNFSRY-NSHDSACASA-N 1 1 390.823 3.900 20 5 GHBDMO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552962 881380857 /nfs/dbraw/zinc/38/08/57/881380857.db2.gz IZWMEJULVIYVLB-RFFSMVSESA-N 1 1 396.491 3.608 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552962 881380858 /nfs/dbraw/zinc/38/08/58/881380858.db2.gz IZWMEJULVIYVLB-RFFSMVSESA-N 1 1 396.491 3.608 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170355424 881399571 /nfs/dbraw/zinc/39/95/71/881399571.db2.gz FATYFHIDBPMWGP-INIZCTEOSA-N 1 1 387.455 3.886 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)c1 ZINC000597095667 859281335 /nfs/dbraw/zinc/28/13/35/859281335.db2.gz ZSKRITXIAOQZJM-UHFFFAOYSA-N 1 1 391.859 3.604 20 5 GHBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597228936 859363497 /nfs/dbraw/zinc/36/34/97/859363497.db2.gz QNWXQASVRUGACS-HNNXBMFYSA-N 1 1 385.489 3.768 20 5 GHBDMO CC[N@@H+](CCc1ccccn1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000764316171 859377622 /nfs/dbraw/zinc/37/76/22/859377622.db2.gz UOCOGUFUPTYOEE-CYBMUJFWSA-N 1 1 376.844 3.535 20 5 GHBDMO COc1ccc(CNC2(C[NH+](C)C)CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000466417811 859401874 /nfs/dbraw/zinc/40/18/74/859401874.db2.gz SKQSMVGQUFGIDD-UHFFFAOYSA-N 1 1 399.491 3.756 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)cc1[N+](=O)[O-] ZINC000597352014 859476688 /nfs/dbraw/zinc/47/66/88/859476688.db2.gz WIPAKDBMMNFYEY-AWEZNQCLSA-N 1 1 392.459 3.863 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)cc1[N+](=O)[O-] ZINC000597352014 859476694 /nfs/dbraw/zinc/47/66/94/859476694.db2.gz WIPAKDBMMNFYEY-AWEZNQCLSA-N 1 1 392.459 3.863 20 5 GHBDMO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000060543848 859487491 /nfs/dbraw/zinc/48/74/91/859487491.db2.gz QFYXGSMYVLGZBV-MJGOQNOKSA-N 1 1 397.475 3.658 20 5 GHBDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1F ZINC000161037041 859500216 /nfs/dbraw/zinc/50/02/16/859500216.db2.gz WOUUTCVZHKVSQY-BDJLRTHQSA-N 1 1 393.390 3.950 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)c1ccco1 ZINC000895457805 859511714 /nfs/dbraw/zinc/51/17/14/859511714.db2.gz RUWOTNYNUJYZHT-SNVBAGLBSA-N 1 1 390.198 3.666 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH+]1CCC2(CC2)CC1 ZINC000611177676 859636871 /nfs/dbraw/zinc/63/68/71/859636871.db2.gz UDZBSAUSFQYTGU-CYBMUJFWSA-N 1 1 386.477 3.921 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611195527 859638656 /nfs/dbraw/zinc/63/86/56/859638656.db2.gz JPFBFKWROOYEJX-UHFFFAOYSA-N 1 1 375.388 3.500 20 5 GHBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000611214134 859647150 /nfs/dbraw/zinc/64/71/50/859647150.db2.gz VIAZJTCGGSCTQJ-INIZCTEOSA-N 1 1 389.521 3.938 20 5 GHBDMO C[N@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252180 859664031 /nfs/dbraw/zinc/66/40/31/859664031.db2.gz ASYIGWCOIWROBB-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252180 859664036 /nfs/dbraw/zinc/66/40/36/859664036.db2.gz ASYIGWCOIWROBB-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(OCCc3ccccc3)CC1)OCCO2 ZINC000611262681 859672171 /nfs/dbraw/zinc/67/21/71/859672171.db2.gz JQQFHUZIYWGVAP-UHFFFAOYSA-N 1 1 398.459 3.590 20 5 GHBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611266779 859673756 /nfs/dbraw/zinc/67/37/56/859673756.db2.gz MGUKSCGEUSPLLU-VGSWGCGISA-N 1 1 398.459 3.966 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](n4ccnc4)C3)o2)c([N+](=O)[O-])c1 ZINC000611268159 859673883 /nfs/dbraw/zinc/67/38/83/859673883.db2.gz XGFAKYWGYDSLMF-HNNXBMFYSA-N 1 1 382.420 3.897 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+](Cc1ccccc1)CC1CCOCC1)OCCO2 ZINC000611271396 859676120 /nfs/dbraw/zinc/67/61/20/859676120.db2.gz BOEFSNHLPLJPKL-UHFFFAOYSA-N 1 1 398.459 3.795 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000161186928 859678760 /nfs/dbraw/zinc/67/87/60/859678760.db2.gz BMOZZXVWBNUNDI-QGZVFWFLSA-N 1 1 383.492 3.711 20 5 GHBDMO COc1ccc(C[C@H](C)N2CCC3(CCC[N@H+]3CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170343401 881450765 /nfs/dbraw/zinc/45/07/65/881450765.db2.gz YZVWHISOXPESNA-KRWDZBQOSA-N 1 1 387.524 3.875 20 5 GHBDMO C[C@H](c1ccsc1)[NH+]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000764952716 859695406 /nfs/dbraw/zinc/69/54/06/859695406.db2.gz BUQLGKCKGLLQBN-MRXNPFEDSA-N 1 1 397.504 3.856 20 5 GHBDMO CC[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000161210462 859702346 /nfs/dbraw/zinc/70/23/46/859702346.db2.gz POWVWXVMPZALDG-JOCHJYFZSA-N 1 1 383.492 3.792 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000611376012 859732710 /nfs/dbraw/zinc/73/27/10/859732710.db2.gz VKXPTBBISUFXLB-IRXDYDNUSA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000611376012 859732719 /nfs/dbraw/zinc/73/27/19/859732719.db2.gz VKXPTBBISUFXLB-IRXDYDNUSA-N 1 1 382.464 3.572 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000611554404 859802726 /nfs/dbraw/zinc/80/27/26/859802726.db2.gz OOBPEHOTPJHMEJ-RYUDHWBXSA-N 1 1 389.374 3.595 20 5 GHBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@H]2C1 ZINC000552105698 859815728 /nfs/dbraw/zinc/81/57/28/859815728.db2.gz DEWVAECAHCZFLM-RBUKOAKNSA-N 1 1 387.505 3.618 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170346539 881469493 /nfs/dbraw/zinc/46/94/93/881469493.db2.gz OATBQNQWVKEDPM-ZBFHGGJFSA-N 1 1 393.484 3.524 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC001170347599 881471516 /nfs/dbraw/zinc/47/15/16/881471516.db2.gz SCNVFSWZEGKHLG-YJBOKZPZSA-N 1 1 386.448 3.696 20 5 GHBDMO C[N@@H+](Cc1ccc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)sc2c1)C1CC1 ZINC000598030275 860011055 /nfs/dbraw/zinc/01/10/55/860011055.db2.gz UCVCLXLMXDUBQK-UHFFFAOYSA-N 1 1 396.472 3.980 20 5 GHBDMO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000555140110 860091557 /nfs/dbraw/zinc/09/15/57/860091557.db2.gz VZPBWVAHKXQUMY-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000542657549 860142196 /nfs/dbraw/zinc/14/21/96/860142196.db2.gz IZBKWVZQMHOEHH-HUUCEWRRSA-N 1 1 379.476 3.854 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000542657547 860142355 /nfs/dbraw/zinc/14/23/55/860142355.db2.gz IZBKWVZQMHOEHH-CABCVRRESA-N 1 1 379.476 3.854 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)c(C(F)(F)F)c1 ZINC000727585777 860144355 /nfs/dbraw/zinc/14/43/55/860144355.db2.gz LCMZCBUDRBZIOH-JTQLQIEISA-N 1 1 398.212 3.929 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000124074664 860220935 /nfs/dbraw/zinc/22/09/35/860220935.db2.gz JKHZLEHZGLMREN-KRWDZBQOSA-N 1 1 388.512 3.637 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1Br ZINC000602720960 860230968 /nfs/dbraw/zinc/23/09/68/860230968.db2.gz NDAZIJCMMQLWLS-SECBINFHSA-N 1 1 399.192 3.509 20 5 GHBDMO COc1cc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000602802950 860288364 /nfs/dbraw/zinc/28/83/64/860288364.db2.gz SPLNZERDDKGKLG-CQSZACIVSA-N 1 1 376.457 3.613 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000494330248 881533661 /nfs/dbraw/zinc/53/36/61/881533661.db2.gz OENOFDYYYWGZKP-FPOVZHCZSA-N 1 1 395.459 3.530 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1C ZINC001127937016 860454518 /nfs/dbraw/zinc/45/45/18/860454518.db2.gz VAXWNWDJMZTYNI-GOSISDBHSA-N 1 1 399.516 3.559 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1C ZINC001127937016 860454523 /nfs/dbraw/zinc/45/45/23/860454523.db2.gz VAXWNWDJMZTYNI-GOSISDBHSA-N 1 1 399.516 3.559 20 5 GHBDMO COCC[N@H+]1CCC[C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000729987186 860485366 /nfs/dbraw/zinc/48/53/66/860485366.db2.gz FXCVAQOADLQQIM-JTQLQIEISA-N 1 1 381.782 3.790 20 5 GHBDMO O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000170702112 860593537 /nfs/dbraw/zinc/59/35/37/860593537.db2.gz CXTNXBUQSHWOSV-AWEZNQCLSA-N 1 1 375.375 3.724 20 5 GHBDMO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761293238 860674547 /nfs/dbraw/zinc/67/45/47/860674547.db2.gz UOCKXJVNEHYURN-HNNXBMFYSA-N 1 1 396.447 3.522 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000603642362 860944271 /nfs/dbraw/zinc/94/42/71/860944271.db2.gz DDBODCDZNGWXIC-UHFFFAOYSA-N 1 1 398.463 3.652 20 5 GHBDMO Cc1c(CC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000126482644 861052254 /nfs/dbraw/zinc/05/22/54/861052254.db2.gz WPNRJUHCKNPATH-KRWDZBQOSA-N 1 1 381.476 3.569 20 5 GHBDMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000171139415 863079145 /nfs/dbraw/zinc/07/91/45/863079145.db2.gz JPANTTLDBWJBKN-LLVKDONJSA-N 1 1 393.827 3.555 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000172174674 863293968 /nfs/dbraw/zinc/29/39/68/863293968.db2.gz OUHPCMLRQUQOJG-CQSZACIVSA-N 1 1 389.887 3.946 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000172174674 863293979 /nfs/dbraw/zinc/29/39/79/863293979.db2.gz OUHPCMLRQUQOJG-CQSZACIVSA-N 1 1 389.887 3.946 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000735221331 864691126 /nfs/dbraw/zinc/69/11/26/864691126.db2.gz NWENGDAJGKLYEB-IBGZPJMESA-N 1 1 395.459 3.626 20 5 GHBDMO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475304164 864740930 /nfs/dbraw/zinc/74/09/30/864740930.db2.gz LGOYDWYZGIDWKZ-HXUWFJFHSA-N 1 1 381.476 3.605 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000063549465 864940545 /nfs/dbraw/zinc/94/05/45/864940545.db2.gz BIAPCCOPVAFOJO-SFHVURJKSA-N 1 1 397.475 3.948 20 5 GHBDMO COc1ccc(-n2ccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000192824817 865006121 /nfs/dbraw/zinc/00/61/21/865006121.db2.gz MNVXVSVCIZEIHZ-NRFANRHFSA-N 1 1 378.432 3.956 20 5 GHBDMO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000554846829 865011366 /nfs/dbraw/zinc/01/13/66/865011366.db2.gz JVMNJCAPANWDPN-HUUCEWRRSA-N 1 1 389.883 3.988 20 5 GHBDMO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554834606 865014949 /nfs/dbraw/zinc/01/49/49/865014949.db2.gz KFQMULSGGKYRFT-YJBOKZPZSA-N 1 1 387.505 3.883 20 5 GHBDMO CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174051534 865369476 /nfs/dbraw/zinc/36/94/76/865369476.db2.gz ONTSSAOOIZHYHJ-HNNXBMFYSA-N 1 1 389.402 3.610 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000716275987 865383583 /nfs/dbraw/zinc/38/35/83/865383583.db2.gz DUMSCTCDICUCRF-LIRRHRJNSA-N 1 1 387.867 3.889 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000738054029 865488589 /nfs/dbraw/zinc/48/85/89/865488589.db2.gz FKFVCRKENXVANC-FUHWJXTLSA-N 1 1 377.448 3.997 20 5 GHBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)c1ccc(C)cc1 ZINC000174281879 865660663 /nfs/dbraw/zinc/66/06/63/865660663.db2.gz MOOFNJFQAHXMDY-GOSISDBHSA-N 1 1 382.420 3.509 20 5 GHBDMO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)c1ccc(C)cc1 ZINC000174281879 865660672 /nfs/dbraw/zinc/66/06/72/865660672.db2.gz MOOFNJFQAHXMDY-GOSISDBHSA-N 1 1 382.420 3.509 20 5 GHBDMO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc(Cl)cc1F ZINC000153084714 881893289 /nfs/dbraw/zinc/89/32/89/881893289.db2.gz VPZBGTSTZAJKAG-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc(Cl)cc1F ZINC000153084714 881893303 /nfs/dbraw/zinc/89/33/03/881893303.db2.gz VPZBGTSTZAJKAG-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000533982537 865700528 /nfs/dbraw/zinc/70/05/28/865700528.db2.gz UKGQMLQEBDSMKZ-HNNXBMFYSA-N 1 1 393.447 3.692 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000608866598 865767045 /nfs/dbraw/zinc/76/70/45/865767045.db2.gz CIIGRVVJDSIRCI-CYBMUJFWSA-N 1 1 380.404 3.512 20 5 GHBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000608915840 865811628 /nfs/dbraw/zinc/81/16/28/865811628.db2.gz MOBLMDYSHPPHOF-IXDOHACOSA-N 1 1 390.528 3.537 20 5 GHBDMO COC1CCN(C2(C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])CCCC2)CC1 ZINC000740005784 865824255 /nfs/dbraw/zinc/82/42/55/865824255.db2.gz FLCMBDINYNNZKD-UHFFFAOYSA-N 1 1 381.904 3.761 20 5 GHBDMO CSc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000456295317 866357677 /nfs/dbraw/zinc/35/76/77/866357677.db2.gz ATFJXROFKAJGAK-MRXNPFEDSA-N 1 1 399.516 3.911 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000475575146 866387353 /nfs/dbraw/zinc/38/73/53/866387353.db2.gz YZICYTGQLPENMV-QFBILLFUSA-N 1 1 382.464 3.854 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000183577649 866885203 /nfs/dbraw/zinc/88/52/03/866885203.db2.gz SRSJHSHCNRCVAS-OAHLLOKOSA-N 1 1 383.452 3.686 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000553171360 866903717 /nfs/dbraw/zinc/90/37/17/866903717.db2.gz WREFGTJCFMXNLN-JOCHJYFZSA-N 1 1 379.460 3.641 20 5 GHBDMO COc1ccc(CC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC000444623900 866979452 /nfs/dbraw/zinc/97/94/52/866979452.db2.gz CILWSNJLMNGXTB-UHFFFAOYSA-N 1 1 380.448 3.934 20 5 GHBDMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444690315 867070287 /nfs/dbraw/zinc/07/02/87/867070287.db2.gz RYRZIZVJUDIRGL-SECBINFHSA-N 1 1 396.373 3.698 20 5 GHBDMO C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@@H]1c1ccccc1 ZINC000742166432 867090532 /nfs/dbraw/zinc/09/05/32/867090532.db2.gz PSWPILHHKBSGKV-APWZRJJASA-N 1 1 377.448 3.936 20 5 GHBDMO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000742176852 867135420 /nfs/dbraw/zinc/13/54/20/867135420.db2.gz NKYTZNGQQWUCCI-HNNXBMFYSA-N 1 1 399.882 3.934 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000444744157 867165018 /nfs/dbraw/zinc/16/50/18/867165018.db2.gz LNKHDXUJAWMVTL-UHFFFAOYSA-N 1 1 375.400 3.512 20 5 GHBDMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3c([N+](=O)[O-])ncn3C)s2)cc1 ZINC000544466218 867328726 /nfs/dbraw/zinc/32/87/26/867328726.db2.gz AFKUKEYOXGZMHJ-LLVKDONJSA-N 1 1 387.465 3.620 20 5 GHBDMO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000793300418 882081484 /nfs/dbraw/zinc/08/14/84/882081484.db2.gz XBFOKIMQTNRSQG-UHFFFAOYSA-N 1 1 395.419 3.998 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+](CCO)Cc3ccc(C)o3)o2)c([N+](=O)[O-])c1 ZINC000475626209 868302035 /nfs/dbraw/zinc/30/20/35/868302035.db2.gz PZCVQBAWBVBTJT-UHFFFAOYSA-N 1 1 386.404 3.759 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+](CCO)Cc3ccc(C)o3)o2)c([N+](=O)[O-])c1 ZINC000475626209 868302049 /nfs/dbraw/zinc/30/20/49/868302049.db2.gz PZCVQBAWBVBTJT-UHFFFAOYSA-N 1 1 386.404 3.759 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000442719252 868404597 /nfs/dbraw/zinc/40/45/97/868404597.db2.gz RKXKGFLMQZRKFO-HUUCEWRRSA-N 1 1 385.489 3.959 20 5 GHBDMO CCC(=O)c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000479915630 868727291 /nfs/dbraw/zinc/72/72/91/868727291.db2.gz VYFHOQOPHNGOHZ-UHFFFAOYSA-N 1 1 383.448 3.632 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1CC[C@H](CCc2ccccc2)C1=O ZINC000793518390 882237475 /nfs/dbraw/zinc/23/74/75/882237475.db2.gz ULQRMPBMMUSDGL-FQEVSTJZSA-N 1 1 381.476 3.508 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1CC[C@H](CCc2ccccc2)C1=O ZINC000793518390 882237484 /nfs/dbraw/zinc/23/74/84/882237484.db2.gz ULQRMPBMMUSDGL-FQEVSTJZSA-N 1 1 381.476 3.508 20 5 GHBDMO CC(C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000445715240 868898244 /nfs/dbraw/zinc/89/82/44/868898244.db2.gz BHASCFMEIQQYNK-JOCHJYFZSA-N 1 1 395.503 3.727 20 5 GHBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[N@@H+](C)C1CC1 ZINC000524360360 868966710 /nfs/dbraw/zinc/96/67/10/868966710.db2.gz MHZAFESAFSRKDZ-CQSZACIVSA-N 1 1 385.489 3.959 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000192596563 882265510 /nfs/dbraw/zinc/26/55/10/882265510.db2.gz WRUVAXGCBCIUOE-WMZOPIPTSA-N 1 1 397.475 3.729 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000462426226 869421838 /nfs/dbraw/zinc/42/18/38/869421838.db2.gz JQZLLKOWBKBOGN-NRFANRHFSA-N 1 1 395.503 3.550 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCCOc1ccccc1 ZINC000029852193 869567070 /nfs/dbraw/zinc/56/70/70/869567070.db2.gz VOYKJCRAZZUEDZ-AWEZNQCLSA-N 1 1 391.855 3.976 20 5 GHBDMO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000443223559 869810061 /nfs/dbraw/zinc/81/00/61/869810061.db2.gz MPJMMWVNOVPXNN-GHMZBOCLSA-N 1 1 395.257 3.704 20 5 GHBDMO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)sc1Br ZINC000539837965 869857593 /nfs/dbraw/zinc/85/75/93/869857593.db2.gz FYMIGOJAXADTMT-LLVKDONJSA-N 1 1 397.298 3.809 20 5 GHBDMO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)sc1Br ZINC000539837965 869857605 /nfs/dbraw/zinc/85/76/05/869857605.db2.gz FYMIGOJAXADTMT-LLVKDONJSA-N 1 1 397.298 3.809 20 5 GHBDMO CCOC(=O)c1cc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000462697734 869910957 /nfs/dbraw/zinc/91/09/57/869910957.db2.gz IYXMHZSPWQMUCU-AWEZNQCLSA-N 1 1 389.477 3.716 20 5 GHBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000525096215 869999429 /nfs/dbraw/zinc/99/94/29/869999429.db2.gz SEVQNZMASNTTMS-OXJNMPFZSA-N 1 1 396.491 3.619 20 5 GHBDMO CNc1c(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000462778686 870051162 /nfs/dbraw/zinc/05/11/62/870051162.db2.gz WEXNJYOCSPWMDK-INIZCTEOSA-N 1 1 388.512 3.753 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)CC2 ZINC000446713158 870217534 /nfs/dbraw/zinc/21/75/34/870217534.db2.gz VXDUVGLYYVLOSM-MRXNPFEDSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)CC2 ZINC000446713158 870217545 /nfs/dbraw/zinc/21/75/45/870217545.db2.gz VXDUVGLYYVLOSM-MRXNPFEDSA-N 1 1 397.258 3.700 20 5 GHBDMO COc1cccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000461473378 870260390 /nfs/dbraw/zinc/26/03/90/870260390.db2.gz RTRKEWYKSNNROR-GOSISDBHSA-N 1 1 397.475 3.636 20 5 GHBDMO CC1(C)[C@H](O)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000462873172 870264955 /nfs/dbraw/zinc/26/49/55/870264955.db2.gz WCWDQARKBCPCHO-HXUWFJFHSA-N 1 1 392.459 3.793 20 5 GHBDMO CC(C)[N@H+](Cc1cnn(Cc2ccccc2)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001192535740 870496815 /nfs/dbraw/zinc/49/68/15/870496815.db2.gz IXMBZWNILFAAJX-JOCHJYFZSA-N 1 1 394.475 3.784 20 5 GHBDMO CC[C@H]1C[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CCS1 ZINC000538725589 870519897 /nfs/dbraw/zinc/51/98/97/870519897.db2.gz HOLFSPFJUKOOIK-LBPRGKRZSA-N 1 1 394.415 3.872 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CCS1 ZINC000538725589 870519906 /nfs/dbraw/zinc/51/99/06/870519906.db2.gz HOLFSPFJUKOOIK-LBPRGKRZSA-N 1 1 394.415 3.872 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c[nH]nc3-c3ccc(Cl)cc3)nc2c1 ZINC000446836434 870522514 /nfs/dbraw/zinc/52/25/14/870522514.db2.gz QUUZOLPXNHUOES-UHFFFAOYSA-N 1 1 382.811 3.804 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC001192672227 870591353 /nfs/dbraw/zinc/59/13/53/870591353.db2.gz FORSTKPFFWYRMD-HZPDHXFCSA-N 1 1 393.484 3.693 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC001192672227 870591364 /nfs/dbraw/zinc/59/13/64/870591364.db2.gz FORSTKPFFWYRMD-HZPDHXFCSA-N 1 1 393.484 3.693 20 5 GHBDMO COc1ccc(OCC[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000152916117 870812247 /nfs/dbraw/zinc/81/22/47/870812247.db2.gz AUIDXKMOGKTCFB-UHFFFAOYSA-N 1 1 383.404 3.769 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000152916117 870812256 /nfs/dbraw/zinc/81/22/56/870812256.db2.gz AUIDXKMOGKTCFB-UHFFFAOYSA-N 1 1 383.404 3.769 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@@H]4C[C@H]4c4ccccc4)CC3)nc2c1 ZINC000463124362 870931775 /nfs/dbraw/zinc/93/17/75/870931775.db2.gz NJSRPKLWBXFKRP-HKUYNNGSSA-N 1 1 391.475 3.787 20 5 GHBDMO Cc1nc2ccccc2n1CCCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000463153729 871031538 /nfs/dbraw/zinc/03/15/38/871031538.db2.gz WSROQNZZKWRRFP-UHFFFAOYSA-N 1 1 379.464 3.877 20 5 GHBDMO CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169046316 871127448 /nfs/dbraw/zinc/12/74/48/871127448.db2.gz KLGMXARKKMKGDQ-KSSFIOAISA-N 1 1 375.469 3.837 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001169046681 871127715 /nfs/dbraw/zinc/12/77/15/871127715.db2.gz LSYFHEGKQNSIAQ-NZSAHSFTSA-N 1 1 389.496 3.726 20 5 GHBDMO CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047583 871129425 /nfs/dbraw/zinc/12/94/25/871129425.db2.gz RKFAQGPYHVSMED-FRYIKTPZSA-N 1 1 392.471 3.805 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001127244679 871320765 /nfs/dbraw/zinc/32/07/65/871320765.db2.gz GRKOPJWNDHHSAY-HZPDHXFCSA-N 1 1 385.439 3.777 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001127244679 871320784 /nfs/dbraw/zinc/32/07/84/871320784.db2.gz GRKOPJWNDHHSAY-HZPDHXFCSA-N 1 1 385.439 3.777 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCOCC2)cc1OC(F)F ZINC000462097558 871587673 /nfs/dbraw/zinc/58/76/73/871587673.db2.gz QYGOMHXDAHZHAE-UHFFFAOYSA-N 1 1 393.390 3.641 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001169527458 871607112 /nfs/dbraw/zinc/60/71/12/871607112.db2.gz MPJAWIFPZASCTR-AUUYWEPGSA-N 1 1 387.867 3.889 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000618469913 871654313 /nfs/dbraw/zinc/65/43/13/871654313.db2.gz OTYGEZFORLMGKZ-SLFFLAALSA-N 1 1 393.487 3.934 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000462156647 871709059 /nfs/dbraw/zinc/70/90/59/871709059.db2.gz DHUSXKYDNKLTBD-OXQOHEQNSA-N 1 1 381.476 3.509 20 5 GHBDMO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182020485 871733028 /nfs/dbraw/zinc/73/30/28/871733028.db2.gz YSEOOMLTVFJNDG-UHFFFAOYSA-N 1 1 387.867 3.777 20 5 GHBDMO CC(C)c1ccc(C[NH+]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001194562276 871793984 /nfs/dbraw/zinc/79/39/84/871793984.db2.gz JFKOKKDPHBFYIV-QFIPXVFZSA-N 1 1 383.492 3.569 20 5 GHBDMO COc1cc(C[NH+]2CCC(O)(c3cccc(C)c3C)CC2)c([N+](=O)[O-])cc1F ZINC000766790477 871797119 /nfs/dbraw/zinc/79/71/19/871797119.db2.gz MKDVMQJKKQCEBG-UHFFFAOYSA-N 1 1 388.439 3.843 20 5 GHBDMO COc1cc(C(=O)Nc2cc3[nH+]c4cc(N(C)C)ccc4cc3cc2C)n(C)n1 ZINC001194741082 871902367 /nfs/dbraw/zinc/90/23/67/871902367.db2.gz BWYXDKPHULWORS-UHFFFAOYSA-N 1 1 389.459 3.757 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763506217 872036238 /nfs/dbraw/zinc/03/62/38/872036238.db2.gz TVYQCTIWUBXYEW-UGSOOPFHSA-N 1 1 389.402 3.513 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000447677539 872083963 /nfs/dbraw/zinc/08/39/63/872083963.db2.gz GOOKZGHRNCPADL-GXSJLCMTSA-N 1 1 380.317 3.683 20 5 GHBDMO COc1nccnc1C(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001195092455 872165657 /nfs/dbraw/zinc/16/56/57/872165657.db2.gz MRXVJTBWXGQLSU-UHFFFAOYSA-N 1 1 387.443 3.813 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000540862614 872338461 /nfs/dbraw/zinc/33/84/61/872338461.db2.gz IHMGKAJJXRSGGA-SFHVURJKSA-N 1 1 377.448 3.802 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1Cl ZINC000478027703 872374327 /nfs/dbraw/zinc/37/43/27/872374327.db2.gz MEYZFNLPWKSZFU-UHFFFAOYSA-N 1 1 386.839 3.903 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4ccc(CF)cc4)CC3)nc2c1 ZINC000775672778 872697606 /nfs/dbraw/zinc/69/76/06/872697606.db2.gz JCPJNTKYLIHBGT-UHFFFAOYSA-N 1 1 383.427 3.653 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)cc1OC ZINC000541059426 872817126 /nfs/dbraw/zinc/81/71/26/872817126.db2.gz GIPXEAYLEHPOFD-HRCADAONSA-N 1 1 380.485 3.621 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c1Br ZINC001196159148 872919541 /nfs/dbraw/zinc/91/95/41/872919541.db2.gz LYICTTPULWMOSC-GOSISDBHSA-N 1 1 391.265 3.841 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1Br ZINC001196159148 872919547 /nfs/dbraw/zinc/91/95/47/872919547.db2.gz LYICTTPULWMOSC-GOSISDBHSA-N 1 1 391.265 3.841 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115748427 882672373 /nfs/dbraw/zinc/67/23/73/882672373.db2.gz RFDXOEYENODCBJ-CZUORRHYSA-N 1 1 398.891 3.507 20 5 GHBDMO CN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000464044967 873116172 /nfs/dbraw/zinc/11/61/72/873116172.db2.gz HIFMHYYVYXXVBW-HNNXBMFYSA-N 1 1 385.489 3.912 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000026205804 873272897 /nfs/dbraw/zinc/27/28/97/873272897.db2.gz PPDFMKTXBUDDAO-CYBMUJFWSA-N 1 1 393.390 3.964 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000026205804 873272905 /nfs/dbraw/zinc/27/29/05/873272905.db2.gz PPDFMKTXBUDDAO-CYBMUJFWSA-N 1 1 393.390 3.964 20 5 GHBDMO O=C(CC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)NC1CCCC1 ZINC000768541454 873374730 /nfs/dbraw/zinc/37/47/30/873374730.db2.gz HLOTWIRMLFBCEQ-UHFFFAOYSA-N 1 1 379.888 3.909 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000768926238 873695285 /nfs/dbraw/zinc/69/52/85/873695285.db2.gz KIBCENJXVFRZLP-UHFFFAOYSA-N 1 1 384.318 3.910 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)n1 ZINC000768940428 873707272 /nfs/dbraw/zinc/70/72/72/873707272.db2.gz JNMWZDZZYCZKJU-CYBMUJFWSA-N 1 1 391.269 3.835 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)n1 ZINC000768940428 873707282 /nfs/dbraw/zinc/70/72/82/873707282.db2.gz JNMWZDZZYCZKJU-CYBMUJFWSA-N 1 1 391.269 3.835 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000769065181 873795410 /nfs/dbraw/zinc/79/54/10/873795410.db2.gz RSUHHNOEDHNCJH-HNNXBMFYSA-N 1 1 387.436 3.954 20 5 GHBDMO C[N@@H+](CCOC(=O)CSc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000769067072 873797568 /nfs/dbraw/zinc/79/75/68/873797568.db2.gz MWDLJVILDCPJTQ-UHFFFAOYSA-N 1 1 378.425 3.501 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448708189 873832906 /nfs/dbraw/zinc/83/29/06/873832906.db2.gz JRIBNKGMNYFXSR-ZDUSSCGKSA-N 1 1 387.402 3.856 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CCn2cnnc2C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541565132 873840681 /nfs/dbraw/zinc/84/06/81/873840681.db2.gz QECRJZZYBPTWAJ-LJQANCHMSA-N 1 1 381.436 3.598 20 5 GHBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000769461861 874086040 /nfs/dbraw/zinc/08/60/40/874086040.db2.gz YLVUTPPOWWHPFD-GOSISDBHSA-N 1 1 383.448 3.769 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595756554 874124789 /nfs/dbraw/zinc/12/47/89/874124789.db2.gz GWTUNHFSSFGDDO-AGHHOFFYSA-N 1 1 395.459 3.551 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595756554 874124796 /nfs/dbraw/zinc/12/47/96/874124796.db2.gz GWTUNHFSSFGDDO-AGHHOFFYSA-N 1 1 395.459 3.551 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCCC[C@H]3C[C@@H](O)c3ccco3)nc2c1 ZINC000769735258 874272128 /nfs/dbraw/zinc/27/21/28/874272128.db2.gz WCGZEILGWODFNC-KBXCAEBGSA-N 1 1 384.436 3.932 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCCC[C@H]3C[C@@H](O)c3ccco3)nc2c1 ZINC000769735258 874272143 /nfs/dbraw/zinc/27/21/43/874272143.db2.gz WCGZEILGWODFNC-KBXCAEBGSA-N 1 1 384.436 3.932 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000770001618 874394494 /nfs/dbraw/zinc/39/44/94/874394494.db2.gz GFIWUJCINFRGIW-UHFFFAOYSA-N 1 1 388.855 3.640 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2CCO)cc1OC ZINC000541985235 874673412 /nfs/dbraw/zinc/67/34/12/874673412.db2.gz XSZICPJCHWRCRP-RDJZCZTQSA-N 1 1 380.485 3.765 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC001198935511 874716009 /nfs/dbraw/zinc/71/60/09/874716009.db2.gz ZCYLNLPECSWWPP-INIZCTEOSA-N 1 1 394.269 3.877 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CNC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001198935511 874716015 /nfs/dbraw/zinc/71/60/15/874716015.db2.gz ZCYLNLPECSWWPP-INIZCTEOSA-N 1 1 394.269 3.877 20 5 GHBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000443666218 874798367 /nfs/dbraw/zinc/79/83/67/874798367.db2.gz SAMPYRPBHILCPD-IYBDPMFKSA-N 1 1 391.512 3.512 20 5 GHBDMO Cc1ccc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1Br ZINC000804530010 882993736 /nfs/dbraw/zinc/99/37/36/882993736.db2.gz RBPZIQRGPSROCT-AWEZNQCLSA-N 1 1 382.302 3.834 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2CCC(C)=C(Br)C2)cccc1[N+](=O)[O-] ZINC000797529337 876213788 /nfs/dbraw/zinc/21/37/88/876213788.db2.gz QVOHJOOUOCLGQT-UHFFFAOYSA-N 1 1 382.258 3.606 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCC(C)=C(Br)C2)cccc1[N+](=O)[O-] ZINC000797529337 876213797 /nfs/dbraw/zinc/21/37/97/876213797.db2.gz QVOHJOOUOCLGQT-UHFFFAOYSA-N 1 1 382.258 3.606 20 5 GHBDMO Cc1cc(N2CCC(Nc3nccc4c3cccc4[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000450374176 876327567 /nfs/dbraw/zinc/32/75/67/876327567.db2.gz VITJTSNWBIXDSK-UHFFFAOYSA-N 1 1 378.436 3.631 20 5 GHBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000450385318 876360857 /nfs/dbraw/zinc/36/08/57/876360857.db2.gz CBGLILJJCSPVIL-IFXJQAMLSA-N 1 1 382.464 3.605 20 5 GHBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC000785979749 876381681 /nfs/dbraw/zinc/38/16/81/876381681.db2.gz SSKLUCJUHDHTCW-AWEZNQCLSA-N 1 1 388.920 3.899 20 5 GHBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804536317 883023107 /nfs/dbraw/zinc/02/31/07/883023107.db2.gz SFANVILCJPCAIV-OAQYLSRUSA-N 1 1 399.878 3.986 20 5 GHBDMO O=C(NC1CCCCC1)OC[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001170062057 876885678 /nfs/dbraw/zinc/88/56/78/876885678.db2.gz JLKDIVOZZBSJST-LJQANCHMSA-N 1 1 375.469 3.661 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000850431874 876915237 /nfs/dbraw/zinc/91/52/37/876915237.db2.gz MDFOGBAEASZDSQ-SJCJKPOMSA-N 1 1 384.354 3.704 20 5 GHBDMO COC(=O)c1nc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1Cl ZINC000850516507 876987545 /nfs/dbraw/zinc/98/75/45/876987545.db2.gz WSSKAJGLBUNJNP-INIZCTEOSA-N 1 1 375.812 3.597 20 5 GHBDMO O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786883846 877037268 /nfs/dbraw/zinc/03/72/68/877037268.db2.gz UDVFXICSVUMOBY-HNNXBMFYSA-N 1 1 397.269 3.808 20 5 GHBDMO CNc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000609995874 877264990 /nfs/dbraw/zinc/26/49/90/877264990.db2.gz OEZXUARMWLSYQU-VQIMIIECSA-N 1 1 396.491 3.762 20 5 GHBDMO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000609992850 877288922 /nfs/dbraw/zinc/28/89/22/877288922.db2.gz XMUJPQUJNMNQAU-MRXNPFEDSA-N 1 1 383.423 3.535 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001170072799 877393449 /nfs/dbraw/zinc/39/34/49/877393449.db2.gz OROYUWZNESDONW-OAHLLOKOSA-N 1 1 387.867 3.696 20 5 GHBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160229 877463562 /nfs/dbraw/zinc/46/35/62/877463562.db2.gz BNRAOMHLGJRWKL-OPAMFIHVSA-N 1 1 392.459 3.844 20 5 GHBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160229 877463571 /nfs/dbraw/zinc/46/35/71/877463571.db2.gz BNRAOMHLGJRWKL-OPAMFIHVSA-N 1 1 392.459 3.844 20 5 GHBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160438 877465015 /nfs/dbraw/zinc/46/50/15/877465015.db2.gz NMTNIWNBVBEZPP-KUHUBIRLSA-N 1 1 375.856 3.950 20 5 GHBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160438 877465019 /nfs/dbraw/zinc/46/50/19/877465019.db2.gz NMTNIWNBVBEZPP-KUHUBIRLSA-N 1 1 375.856 3.950 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000610160419 877465052 /nfs/dbraw/zinc/46/50/52/877465052.db2.gz MVFBPBCHEYBDSA-GOSISDBHSA-N 1 1 395.381 3.663 20 5 GHBDMO C[NH+](C)[C@@H]1CCOc2c(NC(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)cccc21 ZINC000451303991 877780843 /nfs/dbraw/zinc/78/08/43/877780843.db2.gz NPUKQKZOFKMHDK-GOSISDBHSA-N 1 1 397.431 3.582 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cc(F)ccc1N1CCC(O)CC1 ZINC000851900817 877967400 /nfs/dbraw/zinc/96/74/00/877967400.db2.gz ZQXKKZGFTGNAQF-ZDUSSCGKSA-N 1 1 391.418 3.685 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)NCc1ccco1 ZINC000237814482 878064611 /nfs/dbraw/zinc/06/46/11/878064611.db2.gz FPGMZQVQEWDSBV-UHFFFAOYSA-N 1 1 389.795 3.507 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H](O)COc3cccc4[nH]ccc43)C2)cc1 ZINC000451543489 878111108 /nfs/dbraw/zinc/11/11/08/878111108.db2.gz BZSZLPCMYUFSKJ-MJGOQNOKSA-N 1 1 395.459 3.695 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000776590543 878278440 /nfs/dbraw/zinc/27/84/40/878278440.db2.gz DUTSAWXQFGRYGK-DHIUTWEWSA-N 1 1 395.503 3.616 20 5 GHBDMO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591449 878299343 /nfs/dbraw/zinc/29/93/43/878299343.db2.gz MIHCFHCRLKCNCR-SFHVURJKSA-N 1 1 389.427 3.507 20 5 GHBDMO Cc1c(CNC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000616313013 878755809 /nfs/dbraw/zinc/75/58/09/878755809.db2.gz CFEPVKMLSALIED-QGZVFWFLSA-N 1 1 396.491 3.709 20 5 GHBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000746864333 879356212 /nfs/dbraw/zinc/35/62/12/879356212.db2.gz GJGOVZZHPJUESA-JOCHJYFZSA-N 1 1 397.450 3.862 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000538552272 879701516 /nfs/dbraw/zinc/70/15/16/879701516.db2.gz UKNVQHPQQJMUTD-YWZLYKJASA-N 1 1 382.464 3.526 20 5 GHBDMO C[C@@H]1[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000494028019 879838931 /nfs/dbraw/zinc/83/89/31/879838931.db2.gz OUEZBVSIJHPZFF-RDTXWAMCSA-N 1 1 379.416 3.734 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000520244854 880500367 /nfs/dbraw/zinc/50/03/67/880500367.db2.gz RDOURIPIVLMLBK-INIZCTEOSA-N 1 1 385.464 3.885 20 5 GHBDMO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000792377841 881085893 /nfs/dbraw/zinc/08/58/93/881085893.db2.gz YMWMFIUXEMICRY-OAQYLSRUSA-N 1 1 398.438 3.686 20 5 GHBDMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000792377841 881085916 /nfs/dbraw/zinc/08/59/16/881085916.db2.gz YMWMFIUXEMICRY-OAQYLSRUSA-N 1 1 398.438 3.686 20 5 GHBDMO COc1ccc(CNC(C)(C)C[NH+](C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000453593214 881116665 /nfs/dbraw/zinc/11/66/65/881116665.db2.gz BJMYFMAUMOIQMN-UHFFFAOYSA-N 1 1 387.480 3.612 20 5 GHBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000609490850 883255817 /nfs/dbraw/zinc/25/58/17/883255817.db2.gz AUWWSTPHMOSETD-ZDUSSCGKSA-N 1 1 389.839 3.722 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000609508429 883305871 /nfs/dbraw/zinc/30/58/71/883305871.db2.gz ZBWPDDBYVRSLJS-OAHLLOKOSA-N 1 1 385.489 3.663 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000609508429 883305886 /nfs/dbraw/zinc/30/58/86/883305886.db2.gz ZBWPDDBYVRSLJS-OAHLLOKOSA-N 1 1 385.489 3.663 20 5 GHBDMO CC[N@@H+](CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000609772696 883630479 /nfs/dbraw/zinc/63/04/79/883630479.db2.gz DRFZIOMOMSJJGX-UHFFFAOYSA-N 1 1 384.436 3.993 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000139338207 884023628 /nfs/dbraw/zinc/02/36/28/884023628.db2.gz DANRSYYRFDJRRW-GJZGRUSLSA-N 1 1 379.888 3.975 20 5 GHBDMO C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000498362249 884159591 /nfs/dbraw/zinc/15/95/91/884159591.db2.gz FHKDWDGVEIVVIB-KGLIPLIRSA-N 1 1 388.493 3.569 20 5 GHBDMO C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000498363429 884162224 /nfs/dbraw/zinc/16/22/24/884162224.db2.gz KUVPQNYEIDVLRC-ZIAGYGMSSA-N 1 1 388.493 3.569 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000918738991 884259926 /nfs/dbraw/zinc/25/99/26/884259926.db2.gz RXUBPBXYGMUXAK-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000897987654 884547622 /nfs/dbraw/zinc/54/76/22/884547622.db2.gz SZYRHVBDQODJQU-GFCCVEGCSA-N 1 1 399.234 3.509 20 5 GHBDMO COc1ccc(-c2ccc(CN[C@@H]3CC[N@H+](C4CCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000609287847 884553431 /nfs/dbraw/zinc/55/34/31/884553431.db2.gz ZYMAATVKIUFTOT-OAHLLOKOSA-N 1 1 385.464 3.970 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCN(C4CCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000609287847 884553440 /nfs/dbraw/zinc/55/34/40/884553440.db2.gz ZYMAATVKIUFTOT-OAHLLOKOSA-N 1 1 385.464 3.970 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000153328467 884597557 /nfs/dbraw/zinc/59/75/57/884597557.db2.gz UAEYCMFWLQVREY-UHFFFAOYSA-N 1 1 384.823 3.899 20 5 GHBDMO C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272215624 884687069 /nfs/dbraw/zinc/68/70/69/884687069.db2.gz BBSDUKUQADGFCI-GDBMZVCRSA-N 1 1 387.867 3.889 20 5 GHBDMO CC1(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCC(F)(F)CC1 ZINC000860780589 884994753 /nfs/dbraw/zinc/99/47/53/884994753.db2.gz LSCYNVUZKKMBNB-INIZCTEOSA-N 1 1 382.407 3.928 20 5 GHBDMO CC1(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCC(F)(F)CC1 ZINC000860780589 884994777 /nfs/dbraw/zinc/99/47/77/884994777.db2.gz LSCYNVUZKKMBNB-INIZCTEOSA-N 1 1 382.407 3.928 20 5 GHBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000191491041 885207730 /nfs/dbraw/zinc/20/77/30/885207730.db2.gz KHNHTAUTXMJZDJ-UHFFFAOYSA-N 1 1 385.468 3.828 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026250781 885347803 /nfs/dbraw/zinc/34/78/03/885347803.db2.gz GIGLYVPVIQEFSK-UHFFFAOYSA-N 1 1 383.857 3.779 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)s1 ZINC000026250968 885355777 /nfs/dbraw/zinc/35/57/77/885355777.db2.gz IHHMYEOZUBOJFU-UHFFFAOYSA-N 1 1 398.282 3.879 20 5 GHBDMO C[N@@H+](CCCCc1ccccc1)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000532474202 885678539 /nfs/dbraw/zinc/67/85/39/885678539.db2.gz HSIBOCHJMHERGZ-UHFFFAOYSA-N 1 1 383.448 3.848 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153540967 886188950 /nfs/dbraw/zinc/18/89/50/886188950.db2.gz OSLTZCXJTWZLRN-UHFFFAOYSA-N 1 1 396.491 3.703 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc4ccccc4nc3Cl)C2)nc1 ZINC000118865918 886285568 /nfs/dbraw/zinc/28/55/68/886285568.db2.gz UBWFIDAXLKJFJR-OAHLLOKOSA-N 1 1 383.839 3.878 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc4ccccc4nc3Cl)C2)nc1 ZINC000118865918 886285584 /nfs/dbraw/zinc/28/55/84/886285584.db2.gz UBWFIDAXLKJFJR-OAHLLOKOSA-N 1 1 383.839 3.878 20 5 GHBDMO O=[N+]([O-])c1c(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc2ccccn21 ZINC000762556444 886409716 /nfs/dbraw/zinc/40/97/16/886409716.db2.gz BWJNFOAVBXPSPB-UHFFFAOYSA-N 1 1 391.475 3.735 20 5 GHBDMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1(CC)CC ZINC000556871748 886426907 /nfs/dbraw/zinc/42/69/07/886426907.db2.gz MDNUKRZJRLQVJX-GUDVDZBRSA-N 1 1 386.496 3.991 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)nc1 ZINC000556892263 886521702 /nfs/dbraw/zinc/52/17/02/886521702.db2.gz QMNTWPYNLIFRDF-LBPRGKRZSA-N 1 1 398.797 3.931 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)nc1 ZINC000556892263 886521710 /nfs/dbraw/zinc/52/17/10/886521710.db2.gz QMNTWPYNLIFRDF-LBPRGKRZSA-N 1 1 398.797 3.931 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)nc1-c1ccncc1 ZINC000863273267 886990581 /nfs/dbraw/zinc/99/05/81/886990581.db2.gz OANQHRVRPZEOOS-MRXNPFEDSA-N 1 1 399.401 3.969 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)nc1-c1ccncc1 ZINC000863273267 886990593 /nfs/dbraw/zinc/99/05/93/886990593.db2.gz OANQHRVRPZEOOS-MRXNPFEDSA-N 1 1 399.401 3.969 20 5 GHBDMO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272520491 887616190 /nfs/dbraw/zinc/61/61/90/887616190.db2.gz LCZWOOSUNBLZLO-HOJAQTOUSA-N 1 1 386.496 3.991 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272540300 887668529 /nfs/dbraw/zinc/66/85/29/887668529.db2.gz OXKFINYPWIIKKQ-VQTJNVASSA-N 1 1 392.459 3.521 20 5 GHBDMO CC(C)C[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H]1CCCc2cccnc21 ZINC000794641033 887670702 /nfs/dbraw/zinc/67/07/02/887670702.db2.gz BWUCBXNCSQRVQD-INIZCTEOSA-N 1 1 396.447 3.891 20 5 GHBDMO CC(C)C[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H]1CCCc2cccnc21 ZINC000794641033 887670708 /nfs/dbraw/zinc/67/07/08/887670708.db2.gz BWUCBXNCSQRVQD-INIZCTEOSA-N 1 1 396.447 3.891 20 5 GHBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000809696045 887674410 /nfs/dbraw/zinc/67/44/10/887674410.db2.gz BTBNNULLMHYBMV-QGZVFWFLSA-N 1 1 398.337 3.782 20 5 GHBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000809696045 887674420 /nfs/dbraw/zinc/67/44/20/887674420.db2.gz BTBNNULLMHYBMV-QGZVFWFLSA-N 1 1 398.337 3.782 20 5 GHBDMO CC1(C)CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000729650796 887693030 /nfs/dbraw/zinc/69/30/30/887693030.db2.gz YHPVKBUHHKVTEJ-UHFFFAOYSA-N 1 1 384.505 3.888 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000193925906 887826122 /nfs/dbraw/zinc/82/61/22/887826122.db2.gz XBWSCXKQQJTTHX-LJQANCHMSA-N 1 1 389.383 3.588 20 5 GHBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000174820339 888079035 /nfs/dbraw/zinc/07/90/35/888079035.db2.gz XAMVAXZEHYCXQF-CQSZACIVSA-N 1 1 379.888 3.719 20 5 GHBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000810615709 888682016 /nfs/dbraw/zinc/68/20/16/888682016.db2.gz PQADNYLUCPVORC-HNNXBMFYSA-N 1 1 386.452 3.582 20 5 GHBDMO Cc1nn(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121069290 888877274 /nfs/dbraw/zinc/87/72/74/888877274.db2.gz GOWHPSMTWHHLRC-UHFFFAOYSA-N 1 1 393.447 3.561 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488134844 889164419 /nfs/dbraw/zinc/16/44/19/889164419.db2.gz OHDPYWXNHINKEN-JLTOFOAXSA-N 1 1 397.500 3.959 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454534304 889284022 /nfs/dbraw/zinc/28/40/22/889284022.db2.gz DWTXYUUDTAKKIH-ZWKOTPCHSA-N 1 1 386.496 3.501 20 5 GHBDMO CN(C(=O)C[N@H+](C)CCCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000532925095 889293529 /nfs/dbraw/zinc/29/35/29/889293529.db2.gz IGKQJHVCKVMFMA-UHFFFAOYSA-N 1 1 391.855 3.612 20 5 GHBDMO CN(C(=O)C[N@@H+](C)CCCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000532925095 889293542 /nfs/dbraw/zinc/29/35/42/889293542.db2.gz IGKQJHVCKVMFMA-UHFFFAOYSA-N 1 1 391.855 3.612 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000811478289 889664525 /nfs/dbraw/zinc/66/45/25/889664525.db2.gz DOZYNFCULHTGJP-UHFFFAOYSA-N 1 1 378.219 3.772 20 5 GHBDMO C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454762949 889708100 /nfs/dbraw/zinc/70/81/00/889708100.db2.gz GPCZSRIDZDFCML-QKLQHJQFSA-N 1 1 396.491 3.866 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)c2)c1 ZINC000811782069 889957618 /nfs/dbraw/zinc/95/76/18/889957618.db2.gz MGIWNKYFANHUHW-JOCHJYFZSA-N 1 1 390.443 3.886 20 5 GHBDMO COC(=O)/C=C\c1ccc(NCc2cc(C)[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000811853581 890047021 /nfs/dbraw/zinc/04/70/21/890047021.db2.gz FMCLIOSVDWFLIW-VURMDHGXSA-N 1 1 396.447 3.697 20 5 GHBDMO Cc1ccccc1C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000533246938 890086031 /nfs/dbraw/zinc/08/60/31/890086031.db2.gz HRXIUCVCUKHSDM-UHFFFAOYSA-N 1 1 381.432 3.866 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000533250833 890094004 /nfs/dbraw/zinc/09/40/04/890094004.db2.gz UNEMWMOHXAUNJP-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533251870 890095861 /nfs/dbraw/zinc/09/58/61/890095861.db2.gz YMXXGPHUTGXBPG-KRWDZBQOSA-N 1 1 393.365 3.851 20 5 GHBDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533251870 890095876 /nfs/dbraw/zinc/09/58/76/890095876.db2.gz YMXXGPHUTGXBPG-KRWDZBQOSA-N 1 1 393.365 3.851 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000533292322 890206665 /nfs/dbraw/zinc/20/66/65/890206665.db2.gz DULXGNSHELGIBC-XWIAVFTESA-N 1 1 395.887 3.712 20 5 GHBDMO COc1c(C)cc(C[N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1C ZINC000533406968 890473756 /nfs/dbraw/zinc/47/37/56/890473756.db2.gz AWOPKDHTXZSICW-UHFFFAOYSA-N 1 1 399.447 3.650 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC2(CCCCC2)C1 ZINC000533441641 890596972 /nfs/dbraw/zinc/59/69/72/890596972.db2.gz QGNVARYJLLYQEF-UHFFFAOYSA-N 1 1 375.469 3.978 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000917069033 890989992 /nfs/dbraw/zinc/98/99/92/890989992.db2.gz JFDDQGQRBWIAMN-SNVBAGLBSA-N 1 1 376.335 3.666 20 5 GHBDMO O=C(Cc1coc2cc(F)ccc12)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171043 891326772 /nfs/dbraw/zinc/32/67/72/891326772.db2.gz CSRXOTPKKGHDKW-SFHVURJKSA-N 1 1 398.390 3.840 20 5 GHBDMO O=C(Cc1coc2cc(F)ccc12)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171043 891326788 /nfs/dbraw/zinc/32/67/88/891326788.db2.gz CSRXOTPKKGHDKW-SFHVURJKSA-N 1 1 398.390 3.840 20 5 GHBDMO COc1cc(Cl)ccc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170699 891328186 /nfs/dbraw/zinc/32/81/86/891328186.db2.gz KGPIUGZQBHKLKX-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO COc1cc(Cl)ccc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170699 891328202 /nfs/dbraw/zinc/32/82/02/891328202.db2.gz KGPIUGZQBHKLKX-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CSc2ccccc21 ZINC000813172923 891331331 /nfs/dbraw/zinc/33/13/31/891331331.db2.gz SYDQGSLLMLQNGF-FUHWJXTLSA-N 1 1 384.457 3.602 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CSc2ccccc21 ZINC000813172923 891331345 /nfs/dbraw/zinc/33/13/45/891331345.db2.gz SYDQGSLLMLQNGF-FUHWJXTLSA-N 1 1 384.457 3.602 20 5 GHBDMO CCCn1ncc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1C1CC1 ZINC000813174354 891337749 /nfs/dbraw/zinc/33/77/49/891337749.db2.gz YORWJUSLBDMSMA-SFHVURJKSA-N 1 1 398.463 3.510 20 5 GHBDMO CCCn1ncc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1C1CC1 ZINC000813174354 891337762 /nfs/dbraw/zinc/33/77/62/891337762.db2.gz YORWJUSLBDMSMA-SFHVURJKSA-N 1 1 398.463 3.510 20 5 GHBDMO CC(=O)Nc1ccc(C[NH+]2CCC(NCc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000873131650 891479762 /nfs/dbraw/zinc/47/97/62/891479762.db2.gz SNNBSGHQRMWPHS-UHFFFAOYSA-N 1 1 396.491 3.616 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@@H]3CCc3ccccc3)n2)c1 ZINC000917478118 892040714 /nfs/dbraw/zinc/04/07/14/892040714.db2.gz JSLZRFBEEOSLDO-LJQANCHMSA-N 1 1 377.448 3.908 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000825831356 892885771 /nfs/dbraw/zinc/88/57/71/892885771.db2.gz WNGWWPUUZGBISP-GJZGRUSLSA-N 1 1 379.888 3.975 20 5 GHBDMO Cc1c(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933342014 893010427 /nfs/dbraw/zinc/01/04/27/893010427.db2.gz SOXANINMVVTHGU-JQWIXIFHSA-N 1 1 388.390 3.868 20 5 GHBDMO COC[C@@H]1CC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000536673836 893510648 /nfs/dbraw/zinc/51/06/48/893510648.db2.gz UGFGOVHYFLASQP-QGZVFWFLSA-N 1 1 386.448 3.651 20 5 GHBDMO O=C(c1ccccc1Cl)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000934421307 893628055 /nfs/dbraw/zinc/62/80/55/893628055.db2.gz NFBNDMHNPZUPQJ-LJQANCHMSA-N 1 1 388.851 3.877 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000556127251 893856775 /nfs/dbraw/zinc/85/67/75/893856775.db2.gz BODKHEFCZCHQJU-UHFFFAOYSA-N 1 1 375.513 3.843 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1F ZINC000154756754 893925920 /nfs/dbraw/zinc/92/59/20/893925920.db2.gz HSROZAPKIGTMSK-UHFFFAOYSA-N 1 1 388.786 3.811 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)o1 ZINC000878136803 894045304 /nfs/dbraw/zinc/04/53/04/894045304.db2.gz ITTCCNTWULFQLN-QGZVFWFLSA-N 1 1 394.431 3.684 20 5 GHBDMO C[N@@H+](CCC1CCOCC1)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878187357 894081069 /nfs/dbraw/zinc/08/10/69/894081069.db2.gz WNAOIGOYZQZZRB-UHFFFAOYSA-N 1 1 380.832 3.547 20 5 GHBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000537074651 894296348 /nfs/dbraw/zinc/29/63/48/894296348.db2.gz OWCQGDWDLFWMRQ-ZDUSSCGKSA-N 1 1 397.410 3.571 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774876700 913866100 /nfs/dbraw/zinc/86/61/00/913866100.db2.gz QXMGMLVQCXOJLH-MRXNPFEDSA-N 1 1 384.436 3.599 20 5 GHBDMO C[C@@](CO)([NH2+]Cc1ccc(Cl)nc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000879273888 894946103 /nfs/dbraw/zinc/94/61/03/894946103.db2.gz ZQYFFVKXDXFGAD-HNNXBMFYSA-N 1 1 389.761 3.659 20 5 GHBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000565086485 895382695 /nfs/dbraw/zinc/38/26/95/895382695.db2.gz OWPIOMXRTCNKKK-CYBMUJFWSA-N 1 1 388.434 3.608 20 5 GHBDMO C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000565795082 895885285 /nfs/dbraw/zinc/88/52/85/895885285.db2.gz JAOOQVDFQBXNCO-JXFKEZNVSA-N 1 1 381.476 3.652 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)o2)c1 ZINC000565814006 895904112 /nfs/dbraw/zinc/90/41/12/895904112.db2.gz VNAFUVFJJUORNK-DYVFJYSZSA-N 1 1 384.354 3.990 20 5 GHBDMO C[C@H]1C[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC001185743988 914056510 /nfs/dbraw/zinc/05/65/10/914056510.db2.gz AJVIZVLXZISKRR-DOTOQJQBSA-N 1 1 392.459 3.522 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000566889810 896672483 /nfs/dbraw/zinc/67/24/83/896672483.db2.gz PHMXZRXPLNDZRZ-ZDUSSCGKSA-N 1 1 382.395 3.648 20 5 GHBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819639131 896881218 /nfs/dbraw/zinc/88/12/18/896881218.db2.gz CHVJHCORQSYXTQ-HNAYVOBHSA-N 1 1 385.851 3.595 20 5 GHBDMO O=C(C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)NCc1ccc(F)cc1 ZINC000567349624 897084190 /nfs/dbraw/zinc/08/41/90/897084190.db2.gz XMPGVMRPALPPSJ-GOSISDBHSA-N 1 1 385.439 3.652 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000568010726 897534414 /nfs/dbraw/zinc/53/44/14/897534414.db2.gz QLCZFAAGFRXYCH-FQEVSTJZSA-N 1 1 385.489 3.711 20 5 GHBDMO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000568329135 897745448 /nfs/dbraw/zinc/74/54/48/897745448.db2.gz DMVJIYNNOUWMFF-FOIQADDNSA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000568329135 897745459 /nfs/dbraw/zinc/74/54/59/897745459.db2.gz DMVJIYNNOUWMFF-FOIQADDNSA-N 1 1 390.867 3.790 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000289544800 914234430 /nfs/dbraw/zinc/23/44/30/914234430.db2.gz DWNMVUVORYXLIJ-IUODEOHRSA-N 1 1 378.860 3.729 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000303040130 914236384 /nfs/dbraw/zinc/23/63/84/914236384.db2.gz SSDAKZKGOHKTCJ-UHFFFAOYSA-N 1 1 383.448 3.844 20 5 GHBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000800146588 898663282 /nfs/dbraw/zinc/66/32/82/898663282.db2.gz BAWRGSCPPFGNHB-UHFFFAOYSA-N 1 1 391.309 3.813 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc2ccc(Br)cn12 ZINC000569491212 898710130 /nfs/dbraw/zinc/71/01/30/898710130.db2.gz PQHNRBWHZIOSHT-UHFFFAOYSA-N 1 1 389.253 3.680 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)CC2 ZINC000155445281 898787092 /nfs/dbraw/zinc/78/70/92/898787092.db2.gz MPJJWWQFCLVYCU-QGZVFWFLSA-N 1 1 380.366 3.575 20 5 GHBDMO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000824293499 899506341 /nfs/dbraw/zinc/50/63/41/899506341.db2.gz OTAZLJRATBYWOW-UHFFFAOYSA-N 1 1 386.843 3.839 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000824293499 899506343 /nfs/dbraw/zinc/50/63/43/899506343.db2.gz OTAZLJRATBYWOW-UHFFFAOYSA-N 1 1 386.843 3.839 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000570984053 899701932 /nfs/dbraw/zinc/70/19/32/899701932.db2.gz BDZXKHNHMKSRRI-WMZOPIPTSA-N 1 1 397.475 3.885 20 5 GHBDMO COc1c(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000332543756 899751958 /nfs/dbraw/zinc/75/19/58/899751958.db2.gz YRWUAFCFJUENIO-MRXNPFEDSA-N 1 1 389.496 3.720 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001186326096 914437140 /nfs/dbraw/zinc/43/71/40/914437140.db2.gz ZIXBXXRIIIHXNA-KRWDZBQOSA-N 1 1 392.459 3.508 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)nc1 ZINC000136402288 900656034 /nfs/dbraw/zinc/65/60/34/900656034.db2.gz ICIFXDAMLBMDQY-BLLLJJGKSA-N 1 1 397.262 3.516 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000772904441 900841597 /nfs/dbraw/zinc/84/15/97/900841597.db2.gz MSTNAPUMXZOHBI-DOMZBBRYSA-N 1 1 380.286 3.810 20 5 GHBDMO CC(C)c1ccc(CNc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000575075373 901107841 /nfs/dbraw/zinc/10/78/41/901107841.db2.gz BOYPXQCRPQBWQU-UHFFFAOYSA-N 1 1 396.491 3.718 20 5 GHBDMO Cc1cccnc1C(C)(C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000577308675 902667275 /nfs/dbraw/zinc/66/72/75/902667275.db2.gz JKQGKILJSOSTTJ-SFHVURJKSA-N 1 1 379.464 3.689 20 5 GHBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303331651 914670476 /nfs/dbraw/zinc/67/04/76/914670476.db2.gz BSIWTFVAKRNSKP-QGZVFWFLSA-N 1 1 393.365 3.851 20 5 GHBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303331651 914670480 /nfs/dbraw/zinc/67/04/80/914670480.db2.gz BSIWTFVAKRNSKP-QGZVFWFLSA-N 1 1 393.365 3.851 20 5 GHBDMO COc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000132554858 903274866 /nfs/dbraw/zinc/27/48/66/903274866.db2.gz HIXBLWYLXCWIRY-QFBILLFUSA-N 1 1 397.475 3.729 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001147945495 903929244 /nfs/dbraw/zinc/92/92/44/903929244.db2.gz PVZCGDAEAXAIPB-CQSZACIVSA-N 1 1 385.386 3.750 20 5 GHBDMO C[C@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCc2ccc(F)cc21 ZINC001171670819 904909111 /nfs/dbraw/zinc/90/91/11/904909111.db2.gz LRPQPULFJXSQQX-XOBRGWDASA-N 1 1 383.423 3.501 20 5 GHBDMO C[C@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCc2ccc(F)cc21 ZINC001171670819 904909118 /nfs/dbraw/zinc/90/91/18/904909118.db2.gz LRPQPULFJXSQQX-XOBRGWDASA-N 1 1 383.423 3.501 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@H]1c1ccccc1 ZINC000365786297 921161569 /nfs/dbraw/zinc/16/15/69/921161569.db2.gz NHQOUKVVYKJVSK-FYYLOGMGSA-N 1 1 397.478 3.857 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@H]1c1ccccc1 ZINC000365786297 921161573 /nfs/dbraw/zinc/16/15/73/921161573.db2.gz NHQOUKVVYKJVSK-FYYLOGMGSA-N 1 1 397.478 3.857 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176234106 905789884 /nfs/dbraw/zinc/78/98/84/905789884.db2.gz DXARGYPQAFMJKS-INIZCTEOSA-N 1 1 387.867 3.543 20 5 GHBDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922459 905993130 /nfs/dbraw/zinc/99/31/30/905993130.db2.gz XOYBGENMLLZVGS-WMZOPIPTSA-N 1 1 375.469 3.741 20 5 GHBDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922459 905993138 /nfs/dbraw/zinc/99/31/38/905993138.db2.gz XOYBGENMLLZVGS-WMZOPIPTSA-N 1 1 375.469 3.741 20 5 GHBDMO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909516 906016294 /nfs/dbraw/zinc/01/62/94/906016294.db2.gz SGGJHZOJZHNNOW-SJLPKXTDSA-N 1 1 376.453 3.868 20 5 GHBDMO CC[N@@H+](Cc1cccnc1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018345 906095371 /nfs/dbraw/zinc/09/53/71/906095371.db2.gz RPXGXZZRJRKLSJ-UHFFFAOYSA-N 1 1 376.407 3.759 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(c3cccc(Cl)c3)COC2)c1F ZINC001173190436 906271595 /nfs/dbraw/zinc/27/15/95/906271595.db2.gz YERFKLDUTSBOLW-LBPRGKRZSA-N 1 1 394.830 3.842 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](Oc3ncccc3C)C2)c1F ZINC001173191136 906273193 /nfs/dbraw/zinc/27/31/93/906273193.db2.gz ARKNNTBJHVFDBO-GJZGRUSLSA-N 1 1 389.427 3.530 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1F ZINC001173192027 906275389 /nfs/dbraw/zinc/27/53/89/906275389.db2.gz HIUQLWLUHLIMMM-BBRMVZONSA-N 1 1 392.402 3.966 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCc3ncc(Cl)cc3C2)c1F ZINC001173193108 906276913 /nfs/dbraw/zinc/27/69/13/906276913.db2.gz QAFSRGSOELQWMW-LLVKDONJSA-N 1 1 379.819 3.780 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCc3ncc(Cl)cc3C2)c1F ZINC001173193109 906277872 /nfs/dbraw/zinc/27/78/72/906277872.db2.gz QAFSRGSOELQWMW-NSHDSACASA-N 1 1 379.819 3.780 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H](Oc3ccncc3C)C2)c1F ZINC001173193943 906279490 /nfs/dbraw/zinc/27/94/90/906279490.db2.gz SDIYZRSURDDKEH-CABCVRRESA-N 1 1 389.427 3.530 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001173223117 906304073 /nfs/dbraw/zinc/30/40/73/906304073.db2.gz YARIGJFMEXVNAU-HZPDHXFCSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001173229623 906314486 /nfs/dbraw/zinc/31/44/86/906314486.db2.gz XYNTVRDZNYCQEN-RBDMOPTHSA-N 1 1 397.475 3.623 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173231274 906316214 /nfs/dbraw/zinc/31/62/14/906316214.db2.gz ANKPGIBIPVHAPH-RDJZCZTQSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001173237740 906347939 /nfs/dbraw/zinc/34/79/39/906347939.db2.gz LSMDCSOZAQEJCZ-TWKWOARYSA-N 1 1 389.496 3.761 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182798209 907267027 /nfs/dbraw/zinc/26/70/27/907267027.db2.gz ULAAYMKNNVWDMF-NSHDSACASA-N 1 1 382.363 3.804 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])cc1F ZINC000184302326 907556484 /nfs/dbraw/zinc/55/64/84/907556484.db2.gz ISHCBLIYSDLDQQ-LBPRGKRZSA-N 1 1 378.400 3.919 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c([N+](=O)[O-])cc1F ZINC000184306312 907557252 /nfs/dbraw/zinc/55/72/52/907557252.db2.gz GGIHNIWQLJEUSG-GFCCVEGCSA-N 1 1 389.383 3.550 20 5 GHBDMO COc1ccc2oc([C@@H](C)[NH2+]Cc3ccc(C(N)=O)cc3[N+](=O)[O-])c(C)c2c1 ZINC000184330977 907563885 /nfs/dbraw/zinc/56/38/85/907563885.db2.gz BABCOCZAPMTZGD-GFCCVEGCSA-N 1 1 383.404 3.608 20 5 GHBDMO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001175821623 907777734 /nfs/dbraw/zinc/77/77/34/907777734.db2.gz MCRONBNBBLSLLS-HNNXBMFYSA-N 1 1 389.402 3.740 20 5 GHBDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001175907373 907820876 /nfs/dbraw/zinc/82/08/76/907820876.db2.gz OAUDSHOOFUWMIN-NRFANRHFSA-N 1 1 387.455 3.882 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)Cc1cncc(F)c1 ZINC001177387339 908556042 /nfs/dbraw/zinc/55/60/42/908556042.db2.gz YWPXZSKZCAOMJY-UHFFFAOYSA-N 1 1 390.418 3.672 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193848000 908760462 /nfs/dbraw/zinc/76/04/62/908760462.db2.gz NMAPVOODPXPZTO-SFHVURJKSA-N 1 1 382.464 3.855 20 5 GHBDMO Cc1cc([C@](C)(O)C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])c(C)o1 ZINC001177912766 908800139 /nfs/dbraw/zinc/80/01/39/908800139.db2.gz SGVFLFKBWXNBMC-MRXNPFEDSA-N 1 1 383.242 3.564 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266341683 909087521 /nfs/dbraw/zinc/08/75/21/909087521.db2.gz AKPMGBRNXZPIPD-KRWDZBQOSA-N 1 1 392.459 3.670 20 5 GHBDMO CCC[N@@H+]1CC[C@H](NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC001179238281 909435733 /nfs/dbraw/zinc/43/57/33/909435733.db2.gz JJNZQTXLXDIANV-IBGZPJMESA-N 1 1 399.491 3.756 20 5 GHBDMO CCC[N@H+]1CC[C@H](NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC001179238281 909435738 /nfs/dbraw/zinc/43/57/38/909435738.db2.gz JJNZQTXLXDIANV-IBGZPJMESA-N 1 1 399.491 3.756 20 5 GHBDMO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)cc1[N+](=O)[O-] ZINC000268716906 909984496 /nfs/dbraw/zinc/98/44/96/909984496.db2.gz GYOKHKBYEODDAX-LLVKDONJSA-N 1 1 379.342 3.816 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000246258588 910207265 /nfs/dbraw/zinc/20/72/65/910207265.db2.gz KOMATUCVFWACAS-AKIFATBCSA-N 1 1 395.503 3.615 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)CCNC(=O)C1CC1 ZINC001180852256 910395034 /nfs/dbraw/zinc/39/50/34/910395034.db2.gz NGTHGRHPUPKZMG-UHFFFAOYSA-N 1 1 390.487 3.617 20 5 GHBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000271123869 910789221 /nfs/dbraw/zinc/78/92/21/910789221.db2.gz JZZXIZYHLZQJGQ-IRXDYDNUSA-N 1 1 393.553 3.556 20 5 GHBDMO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000271609298 910982727 /nfs/dbraw/zinc/98/27/27/910982727.db2.gz CCTTZUNUOYTQJV-MJGOQNOKSA-N 1 1 396.491 3.819 20 5 GHBDMO C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000271609301 910982873 /nfs/dbraw/zinc/98/28/73/910982873.db2.gz CCTTZUNUOYTQJV-PKOBYXMFSA-N 1 1 396.491 3.819 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)C1(C)CC[NH+](C)CC1 ZINC001181987440 911111546 /nfs/dbraw/zinc/11/15/46/911111546.db2.gz LPMSPWMGMAAYJL-UHFFFAOYSA-N 1 1 392.503 3.627 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H]1COC(=O)[C@H]1C ZINC001182080578 911176833 /nfs/dbraw/zinc/17/68/33/911176833.db2.gz AMUOOAPIXOLUGL-GUYCJALGSA-N 1 1 377.444 3.510 20 5 GHBDMO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001186905939 914892224 /nfs/dbraw/zinc/89/22/24/914892224.db2.gz NZNJGBUNLZOJHF-OWCLPIDISA-N 1 1 379.464 3.959 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CC[N@H+]3C3CCCCCC3)c2c1 ZINC001187362334 915195088 /nfs/dbraw/zinc/19/50/88/915195088.db2.gz WDYACTFKIVXEIJ-INIZCTEOSA-N 1 1 399.451 3.682 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001187362482 915196812 /nfs/dbraw/zinc/19/68/12/915196812.db2.gz ZHGDKPYGMAICLD-GOSISDBHSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCO[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001187362482 915196814 /nfs/dbraw/zinc/19/68/14/915196814.db2.gz ZHGDKPYGMAICLD-GOSISDBHSA-N 1 1 392.459 3.764 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 ZINC001187454380 915261961 /nfs/dbraw/zinc/26/19/61/915261961.db2.gz KYVMLXJKWRHUGZ-UHFFFAOYSA-N 1 1 394.397 3.893 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000303959316 915323539 /nfs/dbraw/zinc/32/35/39/915323539.db2.gz YTPFBJFHHZWFOU-LJQANCHMSA-N 1 1 383.448 3.996 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000303959316 915323559 /nfs/dbraw/zinc/32/35/59/915323559.db2.gz YTPFBJFHHZWFOU-LJQANCHMSA-N 1 1 383.448 3.996 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000293388011 916169242 /nfs/dbraw/zinc/16/92/42/916169242.db2.gz NKWNRCFTKRYIFZ-PXAZEXFGSA-N 1 1 397.397 3.703 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000293434887 916202799 /nfs/dbraw/zinc/20/27/99/916202799.db2.gz BLWZXJPRJSKQOK-CYBMUJFWSA-N 1 1 386.292 3.893 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000293434887 916202818 /nfs/dbraw/zinc/20/28/18/916202818.db2.gz BLWZXJPRJSKQOK-CYBMUJFWSA-N 1 1 386.292 3.893 20 5 GHBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1 ZINC000362336326 917215172 /nfs/dbraw/zinc/21/51/72/917215172.db2.gz ODXQZJRQTLVWIS-YOEHRIQHSA-N 1 1 385.489 3.814 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC001190426705 917332173 /nfs/dbraw/zinc/33/21/73/917332173.db2.gz KAJTVDRJMWBIGE-IBGZPJMESA-N 1 1 383.448 3.639 20 5 GHBDMO CCOc1cc(C[N@@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001190707177 917495688 /nfs/dbraw/zinc/49/56/88/917495688.db2.gz FOJBYZPGURBRSS-MRXNPFEDSA-N 1 1 393.484 3.825 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001190707177 917495696 /nfs/dbraw/zinc/49/56/96/917495696.db2.gz FOJBYZPGURBRSS-MRXNPFEDSA-N 1 1 393.484 3.825 20 5 GHBDMO O=[N+]([O-])c1cccc(OCCN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC001191359717 917962394 /nfs/dbraw/zinc/96/23/94/917962394.db2.gz XLFIMSMEJPKFIL-QHCPKHFHSA-N 1 1 395.503 3.962 20 5 GHBDMO CC(C)(C)OC(=O)c1ccccc1OCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001191520230 918040239 /nfs/dbraw/zinc/04/02/39/918040239.db2.gz FKKTYUSFHIIAFH-UHFFFAOYSA-N 1 1 398.459 3.987 20 5 GHBDMO CC(C)(C)OC(=O)c1ccccc1OCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001191520230 918040252 /nfs/dbraw/zinc/04/02/52/918040252.db2.gz FKKTYUSFHIIAFH-UHFFFAOYSA-N 1 1 398.459 3.987 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001192174414 918523629 /nfs/dbraw/zinc/52/36/29/918523629.db2.gz RIYPHOPQXWFKGV-GFCCVEGCSA-N 1 1 397.353 3.952 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001192174414 918523632 /nfs/dbraw/zinc/52/36/32/918523632.db2.gz RIYPHOPQXWFKGV-GFCCVEGCSA-N 1 1 397.353 3.952 20 5 GHBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116103677 919497665 /nfs/dbraw/zinc/49/76/65/919497665.db2.gz WIFCWVMHRKHSTQ-SFHVURJKSA-N 1 1 391.830 3.954 20 5 GHBDMO COc1cccc([C@@H]2CCC[N@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000117334563 919537483 /nfs/dbraw/zinc/53/74/83/919537483.db2.gz JRHSADJDTBYNKC-SFHVURJKSA-N 1 1 397.431 3.739 20 5 GHBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000800343887 919935307 /nfs/dbraw/zinc/93/53/07/919935307.db2.gz HHRALPNIXOBTDY-XFQAVAEZSA-N 1 1 383.448 3.774 20 5 GHBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000800343887 919935341 /nfs/dbraw/zinc/93/53/41/919935341.db2.gz HHRALPNIXOBTDY-XFQAVAEZSA-N 1 1 383.448 3.774 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000800567527 920277748 /nfs/dbraw/zinc/27/77/48/920277748.db2.gz MGYWRBGCVNHPKM-DGWAXEAPSA-N 1 1 379.460 3.734 20 5 GHBDMO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000800845916 920524533 /nfs/dbraw/zinc/52/45/33/920524533.db2.gz SDHXHFSZQCRKJM-UHFFFAOYSA-N 1 1 380.370 3.518 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801524065 921095037 /nfs/dbraw/zinc/09/50/37/921095037.db2.gz NYHWTTBSRPLYIP-HIFRSBDPSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@](F)(COC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000802146676 921861813 /nfs/dbraw/zinc/86/18/13/921861813.db2.gz ORIANTKEBFJFFF-IERDGZPVSA-N 1 1 386.423 3.856 20 5 GHBDMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)o2)cc1C ZINC000369684824 923541287 /nfs/dbraw/zinc/54/12/87/923541287.db2.gz XWJLAHHGXOJROY-HNNXBMFYSA-N 1 1 396.451 3.856 20 5 GHBDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000748316941 923569203 /nfs/dbraw/zinc/56/92/03/923569203.db2.gz JEVKVNNIYTYSOG-MRXNPFEDSA-N 1 1 377.485 3.512 20 5 GHBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000369836762 923662991 /nfs/dbraw/zinc/66/29/91/923662991.db2.gz WXZPGFAYURXSOJ-QGZVFWFLSA-N 1 1 382.464 3.718 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3coc(-c4c(F)cccc4F)n3)CC2)n1 ZINC000373299713 926002941 /nfs/dbraw/zinc/00/29/41/926002941.db2.gz OVRNTUVJFOCOFC-UHFFFAOYSA-N 1 1 389.362 3.562 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000726601063 926755967 /nfs/dbraw/zinc/75/59/67/926755967.db2.gz PQJKUDHOKOSOFT-YJBOKZPZSA-N 1 1 377.485 3.905 20 5 GHBDMO CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000374132304 926808667 /nfs/dbraw/zinc/80/86/67/926808667.db2.gz USZTZCAGVDVCNY-GOSISDBHSA-N 1 1 397.475 3.588 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411998664 926999170 /nfs/dbraw/zinc/99/91/70/926999170.db2.gz LHXFGAYNYUSMKR-JXFKEZNVSA-N 1 1 395.459 3.776 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411998664 926999175 /nfs/dbraw/zinc/99/91/75/926999175.db2.gz LHXFGAYNYUSMKR-JXFKEZNVSA-N 1 1 395.459 3.776 20 5 GHBDMO COc1ccc(C[N@@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000749479681 927127467 /nfs/dbraw/zinc/12/74/67/927127467.db2.gz HJRKNHVSCIWEGB-MRXNPFEDSA-N 1 1 391.468 3.577 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000749602740 927209394 /nfs/dbraw/zinc/20/93/94/927209394.db2.gz RGFXXPHROBFNMR-OAHLLOKOSA-N 1 1 392.456 3.504 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c1 ZINC000749675428 927230420 /nfs/dbraw/zinc/23/04/20/927230420.db2.gz ZCHUFKOKCBFUHD-PKOBYXMFSA-N 1 1 376.840 3.825 20 5 GHBDMO CC[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000749909082 927343532 /nfs/dbraw/zinc/34/35/32/927343532.db2.gz VLZDSPVTOKEMBA-INIZCTEOSA-N 1 1 387.867 3.815 20 5 GHBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749951526 927366984 /nfs/dbraw/zinc/36/69/84/927366984.db2.gz YOUKHSPUWMNNQS-FXAWDEMLSA-N 1 1 395.463 3.705 20 5 GHBDMO Cc1nn(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749951530 927367997 /nfs/dbraw/zinc/36/79/97/927367997.db2.gz YOUKHSPUWMNNQS-XLIONFOSSA-N 1 1 395.463 3.705 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000750291283 927538138 /nfs/dbraw/zinc/53/81/38/927538138.db2.gz VWWXEOMQWUDTED-INIZCTEOSA-N 1 1 393.484 3.553 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H](O)c3ccccc3)n2)c1 ZINC000750608419 927746378 /nfs/dbraw/zinc/74/63/78/927746378.db2.gz GMYJDCNABVPLSH-UYAOXDASSA-N 1 1 394.431 3.733 20 5 GHBDMO CC[C@H](C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000544070600 928764964 /nfs/dbraw/zinc/76/49/64/928764964.db2.gz BYSKEBNZTGJELQ-INIZCTEOSA-N 1 1 376.478 3.669 20 5 GHBDMO CC[C@H](C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000544070600 928764969 /nfs/dbraw/zinc/76/49/69/928764969.db2.gz BYSKEBNZTGJELQ-INIZCTEOSA-N 1 1 376.478 3.669 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000544188147 928909928 /nfs/dbraw/zinc/90/99/28/928909928.db2.gz RFPMJBZETNCWIO-DOTOQJQBSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000544188147 928909936 /nfs/dbraw/zinc/90/99/36/928909936.db2.gz RFPMJBZETNCWIO-DOTOQJQBSA-N 1 1 383.448 3.728 20 5 GHBDMO CC(C)(C)[N@H+]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000544226321 928954015 /nfs/dbraw/zinc/95/40/15/928954015.db2.gz XIJBMZPYJFQHFG-UHFFFAOYSA-N 1 1 385.917 3.673 20 5 GHBDMO C[N@H+](CCc1ccc(Cl)cc1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752792254 929023979 /nfs/dbraw/zinc/02/39/79/929023979.db2.gz LRPGBDLIJMHUDU-UHFFFAOYSA-N 1 1 388.855 3.622 20 5 GHBDMO C[N@@H+](CCc1ccc(Cl)cc1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752792254 929023992 /nfs/dbraw/zinc/02/39/92/929023992.db2.gz LRPGBDLIJMHUDU-UHFFFAOYSA-N 1 1 388.855 3.622 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000544393499 929126965 /nfs/dbraw/zinc/12/69/65/929126965.db2.gz SOMDHMSEZGHIRY-WBVHZDCISA-N 1 1 377.448 3.861 20 5 GHBDMO Cc1ccncc1N1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000467547918 929186502 /nfs/dbraw/zinc/18/65/02/929186502.db2.gz WCIGRRPHZPWJIN-UHFFFAOYSA-N 1 1 378.432 3.880 20 5 GHBDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000544608187 929339157 /nfs/dbraw/zinc/33/91/57/929339157.db2.gz MCSSAKYGDMFOEB-UHFFFAOYSA-N 1 1 385.464 3.633 20 5 GHBDMO CC[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757111461 929649809 /nfs/dbraw/zinc/64/98/09/929649809.db2.gz QQSKKNRYSQFXKG-YJBOKZPZSA-N 1 1 393.484 3.599 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000469477330 929926847 /nfs/dbraw/zinc/92/68/47/929926847.db2.gz DEGNJTCHSRIWOP-NRFANRHFSA-N 1 1 383.492 3.800 20 5 GHBDMO Cc1nn(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000758265357 929994837 /nfs/dbraw/zinc/99/48/37/929994837.db2.gz WRNCOQFJNPZBEV-VQIMIIECSA-N 1 1 399.426 3.597 20 5 GHBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000758268952 929996713 /nfs/dbraw/zinc/99/67/13/929996713.db2.gz VAOIUOJAUGVYCG-PXNSSMCTSA-N 1 1 384.411 3.893 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000758508236 930065259 /nfs/dbraw/zinc/06/52/59/930065259.db2.gz MVHARTLUIUDRRA-INIZCTEOSA-N 1 1 385.439 3.779 20 5 GHBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000470151300 930410704 /nfs/dbraw/zinc/41/07/04/930410704.db2.gz GYLLZCAFSZFBBK-UHFFFAOYSA-N 1 1 390.390 3.613 20 5 GHBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000470151300 930410708 /nfs/dbraw/zinc/41/07/08/930410708.db2.gz GYLLZCAFSZFBBK-UHFFFAOYSA-N 1 1 390.390 3.613 20 5 GHBDMO COc1ccc(C[N@@H+](CCO)C/C(C)=C\c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000470169936 930428242 /nfs/dbraw/zinc/42/82/42/930428242.db2.gz LZQDPVKOFDGOQS-WJDWOHSUSA-N 1 1 386.448 3.510 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470809260 930931133 /nfs/dbraw/zinc/93/11/33/930931133.db2.gz AVQWMWAUXXYICT-ZFWWWQNUSA-N 1 1 398.891 3.749 20 5 GHBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470809260 930931140 /nfs/dbraw/zinc/93/11/40/930931140.db2.gz AVQWMWAUXXYICT-ZFWWWQNUSA-N 1 1 398.891 3.749 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000471071735 931135105 /nfs/dbraw/zinc/13/51/05/931135105.db2.gz ZVIODGUUBRCWMF-RBBKRZOGSA-N 1 1 397.475 3.820 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000471071735 931135106 /nfs/dbraw/zinc/13/51/06/931135106.db2.gz ZVIODGUUBRCWMF-RBBKRZOGSA-N 1 1 397.475 3.820 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@]1(c2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000927119976 932420726 /nfs/dbraw/zinc/42/07/26/932420726.db2.gz NFFIWDUGVKRKIY-IRLDBZIGSA-N 1 1 392.459 3.713 20 5 GHBDMO C[C@@]1(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798373235 932619293 /nfs/dbraw/zinc/61/92/93/932619293.db2.gz VBMYHCCWLGKVCA-FQEVSTJZSA-N 1 1 384.505 3.793 20 5 GHBDMO CC(C)(C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000798526344 932692098 /nfs/dbraw/zinc/69/20/98/932692098.db2.gz PMBJDOOPJBRLJV-HSZRJFAPSA-N 1 1 395.503 3.901 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000799156994 932891578 /nfs/dbraw/zinc/89/15/78/932891578.db2.gz NDMMDEQPCWOGDS-DOVSJBTNSA-N 1 1 384.480 3.677 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000799361224 932971818 /nfs/dbraw/zinc/97/18/18/932971818.db2.gz XJPMOTIXJDYDER-CQSZACIVSA-N 1 1 381.448 3.861 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001116127036 933350284 /nfs/dbraw/zinc/35/02/84/933350284.db2.gz XVMMVURYCCTBMZ-UGSOOPFHSA-N 1 1 388.493 3.511 20 5 GHBDMO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116187175 933393008 /nfs/dbraw/zinc/39/30/08/933393008.db2.gz GDSPSLCCSZOYMC-HXUWFJFHSA-N 1 1 383.423 3.631 20 5 GHBDMO O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116187175 933393018 /nfs/dbraw/zinc/39/30/18/933393018.db2.gz GDSPSLCCSZOYMC-HXUWFJFHSA-N 1 1 383.423 3.631 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H]3CCCC[C@]32c2ccccc2)c([N+](=O)[O-])c1 ZINC001116340476 933493555 /nfs/dbraw/zinc/49/35/55/933493555.db2.gz SFBKYPJJJHBARS-VGSWGCGISA-N 1 1 395.459 3.943 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H]3CCCC[C@]32c2ccccc2)c([N+](=O)[O-])c1 ZINC001116340476 933493559 /nfs/dbraw/zinc/49/35/59/933493559.db2.gz SFBKYPJJJHBARS-VGSWGCGISA-N 1 1 395.459 3.943 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116349399 933500983 /nfs/dbraw/zinc/50/09/83/933500983.db2.gz KPPXCLHGKMTUCT-LSDHHAIUSA-N 1 1 393.447 3.678 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116349399 933500988 /nfs/dbraw/zinc/50/09/88/933500988.db2.gz KPPXCLHGKMTUCT-LSDHHAIUSA-N 1 1 393.447 3.678 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)cc1 ZINC001116377993 933520839 /nfs/dbraw/zinc/52/08/39/933520839.db2.gz VJNMDKUEDPJKDS-DLBZAZTESA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)cc1 ZINC001116377993 933520847 /nfs/dbraw/zinc/52/08/47/933520847.db2.gz VJNMDKUEDPJKDS-DLBZAZTESA-N 1 1 392.818 3.954 20 5 GHBDMO C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000560759961 933537354 /nfs/dbraw/zinc/53/73/54/933537354.db2.gz KAGUCVCYWFJSRL-JPYJTQIMSA-N 1 1 393.487 3.823 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000777806471 933544302 /nfs/dbraw/zinc/54/43/02/933544302.db2.gz AKSLAUGXBHODKR-MJGOQNOKSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000777806471 933544307 /nfs/dbraw/zinc/54/43/07/933544307.db2.gz AKSLAUGXBHODKR-MJGOQNOKSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000777806471 933544321 /nfs/dbraw/zinc/54/43/21/933544321.db2.gz AKSLAUGXBHODKR-MJGOQNOKSA-N 1 1 399.495 3.674 20 5 GHBDMO CCOc1ccc2c(c1)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC001116443073 933561400 /nfs/dbraw/zinc/56/14/00/933561400.db2.gz DLQHZNSWWAMGQR-UHFFFAOYSA-N 1 1 392.459 3.952 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001116448404 933565325 /nfs/dbraw/zinc/56/53/25/933565325.db2.gz UYEYWYVQTFYLDE-XLIONFOSSA-N 1 1 385.439 3.834 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001116448404 933565332 /nfs/dbraw/zinc/56/53/32/933565332.db2.gz UYEYWYVQTFYLDE-XLIONFOSSA-N 1 1 385.439 3.834 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@](C)(CO)C2)cc1OC ZINC001116530074 933613507 /nfs/dbraw/zinc/61/35/07/933613507.db2.gz CUKBVBUSCJUXCI-FOIQADDNSA-N 1 1 380.485 3.623 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@](C)(CO)C2)cc1OC ZINC001116530074 933613516 /nfs/dbraw/zinc/61/35/16/933613516.db2.gz CUKBVBUSCJUXCI-FOIQADDNSA-N 1 1 380.485 3.623 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777889250 933982930 /nfs/dbraw/zinc/98/29/30/933982930.db2.gz VCZAFUTVQXVVLX-MRXNPFEDSA-N 1 1 393.390 3.623 20 5 GHBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc([C@H]([NH3+])c3ccccc3)no2)CC1 ZINC001118236773 934116847 /nfs/dbraw/zinc/11/68/47/934116847.db2.gz JKYNJKFGWUXEGP-LJQANCHMSA-N 1 1 393.447 3.929 20 5 GHBDMO CC1(C)C[C@@H]([N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc2)C(C)(C)O1 ZINC000562156840 934733384 /nfs/dbraw/zinc/73/33/84/934733384.db2.gz DDAMBYWBUZJECV-LJQANCHMSA-N 1 1 399.491 3.605 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cccc1[N+](=O)[O-] ZINC000931913125 934762719 /nfs/dbraw/zinc/76/27/19/934762719.db2.gz GUBJORLQYHWJFR-HNNXBMFYSA-N 1 1 389.349 3.598 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778053721 934810497 /nfs/dbraw/zinc/81/04/97/934810497.db2.gz CABKJHKDACRZIS-UHFFFAOYSA-N 1 1 391.418 3.713 20 5 GHBDMO CCN(C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001123371900 935172383 /nfs/dbraw/zinc/17/23/83/935172383.db2.gz FRDORPWUIDWEBR-KRWDZBQOSA-N 1 1 398.463 3.732 20 5 GHBDMO Cc1cc(Cc2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)ccc1[N+](=O)[O-] ZINC000545077121 1015489412 /nfs/dbraw/zinc/48/94/12/1015489412.db2.gz PVBMHIVPGLOPRB-SFHVURJKSA-N 1 1 393.447 3.652 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000547277442 1016878901 /nfs/dbraw/zinc/87/89/01/1016878901.db2.gz JMOSDJGVVYIHSF-RDJZCZTQSA-N 1 1 399.466 3.791 20 5 GHBDMO CCc1[nH+]ccn1CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001154616626 1032214075 /nfs/dbraw/zinc/21/40/75/1032214075.db2.gz UJYAUTYDYXOOTC-UHFFFAOYSA-N 1 1 396.472 3.935 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001227337113 1032380709 /nfs/dbraw/zinc/38/07/09/1032380709.db2.gz DSVKWLZUWUBZKH-GFCCVEGCSA-N 1 1 383.235 3.653 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001227337113 1032380722 /nfs/dbraw/zinc/38/07/22/1032380722.db2.gz DSVKWLZUWUBZKH-GFCCVEGCSA-N 1 1 383.235 3.653 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000558064750 1017105704 /nfs/dbraw/zinc/10/57/04/1017105704.db2.gz JWVRTNFCNRCPHF-SJORKVTESA-N 1 1 384.480 3.784 20 5 GHBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccnc2c1ccc1cccnc12 ZINC001155819668 1032724373 /nfs/dbraw/zinc/72/43/73/1032724373.db2.gz YRJDCIRLVLQXMI-SGRGSNTQSA-N 1 1 394.478 3.643 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C(C)(C)C ZINC001204305498 1032747163 /nfs/dbraw/zinc/74/71/63/1032747163.db2.gz CGKDMIZCYVGKRF-INIZCTEOSA-N 1 1 384.480 3.982 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c(F)c1 ZINC000778096943 1018418054 /nfs/dbraw/zinc/41/80/54/1018418054.db2.gz KDZLGXREVIJJGC-OAHLLOKOSA-N 1 1 392.736 3.927 20 5 GHBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc4cc5ccccc5nc43)C[C@H]1[N@H+]2C ZINC001228176985 1032825307 /nfs/dbraw/zinc/82/53/07/1032825307.db2.gz VLLNPENYBCZWCX-RUOSDFBUSA-N 1 1 376.456 3.934 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)c2ncc([N+](=O)[O-])cc2F)cc1 ZINC001156294603 1032964103 /nfs/dbraw/zinc/96/41/03/1032964103.db2.gz RCSAYHGKBVCLSU-MRXNPFEDSA-N 1 1 388.443 3.628 20 5 GHBDMO O=[N+]([O-])c1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc2[nH]ccc21 ZINC001156317794 1032980350 /nfs/dbraw/zinc/98/03/50/1032980350.db2.gz NNBMQFATZHHRFR-KBAYOESNSA-N 1 1 377.448 3.794 20 5 GHBDMO C[N@H+]1CCC[C@H](CCNc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001156386586 1033011942 /nfs/dbraw/zinc/01/19/42/1033011942.db2.gz YPGZUVOVZFQLFJ-CYBMUJFWSA-N 1 1 375.860 3.849 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755135703 1023088351 /nfs/dbraw/zinc/08/83/51/1023088351.db2.gz ZPTVCKDHYITCLU-YJBOKZPZSA-N 1 1 395.793 3.588 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1Cl ZINC000836673264 1023237878 /nfs/dbraw/zinc/23/78/78/1023237878.db2.gz MYYFVTWEVYHYHA-CQSZACIVSA-N 1 1 375.856 3.807 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756919721 1023865750 /nfs/dbraw/zinc/86/57/50/1023865750.db2.gz HHIZYLNVVIDLBE-AWEZNQCLSA-N 1 1 382.892 3.560 20 5 GHBDMO O=C1O[C@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CN1c1ccccc1 ZINC000831539198 1024627268 /nfs/dbraw/zinc/62/72/68/1024627268.db2.gz OPMRZILBLNIGBZ-YLJYHZDGSA-N 1 1 381.432 3.800 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001229055982 1033253054 /nfs/dbraw/zinc/25/30/54/1033253054.db2.gz IZYFAXLEKCPWTL-FOIQADDNSA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001229055984 1033253924 /nfs/dbraw/zinc/25/39/24/1033253924.db2.gz IZYFAXLEKCPWTL-QRWLVFNGSA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1c(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001229049742 1033250296 /nfs/dbraw/zinc/25/02/96/1033250296.db2.gz JRXMYQJSAFVVDU-YJBOKZPZSA-N 1 1 384.432 3.671 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001162120806 1025617438 /nfs/dbraw/zinc/61/74/38/1025617438.db2.gz UOIZZBCGBWAJRU-KRWDZBQOSA-N 1 1 380.423 3.781 20 5 GHBDMO COC(=O)/C=C\c1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001162545846 1025788475 /nfs/dbraw/zinc/78/84/75/1025788475.db2.gz WBJDITSLLHURNF-LEVJEWGPSA-N 1 1 395.459 3.858 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832671289 1025820845 /nfs/dbraw/zinc/82/08/45/1025820845.db2.gz CGMSBSCHVINRMR-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832671289 1025820862 /nfs/dbraw/zinc/82/08/62/1025820862.db2.gz CGMSBSCHVINRMR-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@H](O)c2ccccc2Br)ccc1[N+](=O)[O-] ZINC000832680115 1025830386 /nfs/dbraw/zinc/83/03/86/1025830386.db2.gz NRXPMBAOJZMHPY-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000839601616 1026101011 /nfs/dbraw/zinc/10/10/11/1026101011.db2.gz LEHLXCSVOCIWPV-MRXNPFEDSA-N 1 1 377.485 3.716 20 5 GHBDMO C[N@H+]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC001163577724 1026241116 /nfs/dbraw/zinc/24/11/16/1026241116.db2.gz OKFNBOFTWCENRM-HIFRSBDPSA-N 1 1 380.370 3.766 20 5 GHBDMO C[N@H+]1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001163668984 1026273777 /nfs/dbraw/zinc/27/37/77/1026273777.db2.gz HKLOFOKAUGNPIQ-SFHVURJKSA-N 1 1 383.839 3.685 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(NC[C@@H]3CC[N@H+]3Cc3ccccc3)c2c1 ZINC001163763617 1026307064 /nfs/dbraw/zinc/30/70/64/1026307064.db2.gz BYZBZIXDXHAPIB-AWEZNQCLSA-N 1 1 383.839 3.878 20 5 GHBDMO Cc1cccc(C[N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3Br)C2)c1 ZINC001163831473 1026331371 /nfs/dbraw/zinc/33/13/71/1026331371.db2.gz QUPUHUCDYSFCTB-AWEZNQCLSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1cccc(C[N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3Br)C2)c1 ZINC001163831473 1026331383 /nfs/dbraw/zinc/33/13/83/1026331383.db2.gz QUPUHUCDYSFCTB-AWEZNQCLSA-N 1 1 391.269 3.747 20 5 GHBDMO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001164499929 1026536764 /nfs/dbraw/zinc/53/67/64/1026536764.db2.gz VZNNWLMPDACLJX-IXDOHACOSA-N 1 1 377.448 3.794 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001165202018 1026663425 /nfs/dbraw/zinc/66/34/25/1026663425.db2.gz QNVGAGKOFSVOQU-JKSUJKDBSA-N 1 1 377.448 3.637 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001166494296 1027013549 /nfs/dbraw/zinc/01/35/49/1027013549.db2.gz TXKCLBZAQCGMHY-MRVPVSSYSA-N 1 1 378.231 3.643 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccc(O)c([N+](=O)[O-])c1 ZINC001210398306 1027487830 /nfs/dbraw/zinc/48/78/30/1027487830.db2.gz VKBSKUCWEJWYJW-UHFFFAOYSA-N 1 1 390.399 3.858 20 5 GHBDMO C[C@H]([NH2+]Cc1cn2ccc(Br)cc2n1)c1ccc([N+](=O)[O-])cc1 ZINC001203664942 1027519415 /nfs/dbraw/zinc/51/94/15/1027519415.db2.gz CTKLXAMBKHLNFL-NSHDSACASA-N 1 1 375.226 3.856 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001222260589 1030037665 /nfs/dbraw/zinc/03/76/65/1030037665.db2.gz OSVCAGJXLVSNLY-NRFANRHFSA-N 1 1 396.491 3.791 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001150120173 1030405703 /nfs/dbraw/zinc/40/57/03/1030405703.db2.gz UEGMJMDYZCAOMS-RHSMWYFYSA-N 1 1 391.537 3.946 20 5 GHBDMO COC(=O)C1=C[C@H](O[C@H](C)c2cccc([N+](=O)[O-])c2)C[N@@H+](Cc2ccccc2)C1 ZINC001223427338 1030569436 /nfs/dbraw/zinc/56/94/36/1030569436.db2.gz LKPJSHFCGWVWEK-IERDGZPVSA-N 1 1 396.443 3.656 20 5 GHBDMO CCOc1ccc(-c2nnc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)o2)cc1OCC ZINC001217714199 1030624230 /nfs/dbraw/zinc/62/42/30/1030624230.db2.gz FRNBUVTWLCSXKX-MRXNPFEDSA-N 1 1 398.419 3.685 20 5 GHBDMO COC(=O)[C@H](O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001223640613 1030677685 /nfs/dbraw/zinc/67/76/85/1030677685.db2.gz WSURYUMNFSSMTM-TYCQWZJGSA-N 1 1 398.459 3.736 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1C[NH2+]C[C@H]1C ZINC001217967227 1030693930 /nfs/dbraw/zinc/69/39/30/1030693930.db2.gz OPFPKJPQTCQMOT-XCLFUZPHSA-N 1 1 395.455 3.853 20 5 GHBDMO COC(=O)c1cc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC001223692251 1030707380 /nfs/dbraw/zinc/70/73/80/1030707380.db2.gz ZZOJDEWOYCCLNE-IERDGZPVSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)C1=C[C@@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[N@@H+](Cc2ccccc2)C1 ZINC001224023027 1030853384 /nfs/dbraw/zinc/85/33/84/1030853384.db2.gz TWRSJEWFLMQDJT-HRAATJIYSA-N 1 1 396.443 3.656 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@H]2C[NH2+][C@@H]2C)c2c(=O)c3cccc(O)c3oc12 ZINC001218389238 1030917014 /nfs/dbraw/zinc/91/70/14/1030917014.db2.gz WXCJFZHBPUWFIF-XIKOKIGWSA-N 1 1 381.428 3.605 20 5 GHBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC[C@@H]21 ZINC001151993377 1031072087 /nfs/dbraw/zinc/07/20/87/1031072087.db2.gz QZSJRRWMKAAODX-BEFAXECRSA-N 1 1 397.500 3.912 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001225449793 1031420195 /nfs/dbraw/zinc/42/01/95/1031420195.db2.gz AOPRUEMJKDOIGF-PWIZWCRZSA-N 1 1 396.443 3.671 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001225894528 1031680138 /nfs/dbraw/zinc/68/01/38/1031680138.db2.gz MMTSBNOPXSJPER-LRDDRELGSA-N 1 1 381.354 3.908 20 5 GHBDMO COc1ccc(C)cc1C[NH+]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC001205223713 1033313453 /nfs/dbraw/zinc/31/34/53/1033313453.db2.gz DIVOFTIMKHWHIA-UHFFFAOYSA-N 1 1 383.492 3.846 20 5 GHBDMO COc1ccc(C)cc1CN1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC001205223713 1033313466 /nfs/dbraw/zinc/31/34/66/1033313466.db2.gz DIVOFTIMKHWHIA-UHFFFAOYSA-N 1 1 383.492 3.846 20 5 GHBDMO Cc1ccc(-c2ccc(N(C)CC[N@@H+](C)Cc3ccccc3)nn2)cc1[N+](=O)[O-] ZINC001157556681 1033658912 /nfs/dbraw/zinc/65/89/12/1033658912.db2.gz NSOAWUMJXLVVEW-UHFFFAOYSA-N 1 1 391.475 3.928 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(-n2ccc(C[NH2+]Cc3ccccc3)n2)nn1 ZINC001157616050 1033693180 /nfs/dbraw/zinc/69/31/80/1033693180.db2.gz KAQGYOLGTZQQQV-UHFFFAOYSA-N 1 1 386.415 3.527 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001229956259 1033816238 /nfs/dbraw/zinc/81/62/38/1033816238.db2.gz AYIYOKVMKXZHAO-QGZVFWFLSA-N 1 1 384.432 3.733 20 5 GHBDMO COc1cc(O[C@H]2CC[N@H+](C(C)C)C2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001230525715 1034102917 /nfs/dbraw/zinc/10/29/17/1034102917.db2.gz ILICHTQWQMMVDY-ZDUSSCGKSA-N 1 1 399.443 3.531 20 5 GHBDMO CC(=O)Cc1c(F)c(OC2CCN(c3ccc(C)c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC001230796030 1034229891 /nfs/dbraw/zinc/22/98/91/1034229891.db2.gz GOFCRFUUBUOILC-UHFFFAOYSA-N 1 1 387.411 3.617 20 5 GHBDMO CCOC(=O)c1ccc(OC2CCN(c3cc(C)cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC001230916926 1034285672 /nfs/dbraw/zinc/28/56/72/1034285672.db2.gz GBKIUHJEYBQYPL-UHFFFAOYSA-N 1 1 385.420 3.523 20 5 GHBDMO COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC001207391228 1034336911 /nfs/dbraw/zinc/33/69/11/1034336911.db2.gz HGTGKPUFBYIEPF-INIZCTEOSA-N 1 1 375.812 3.540 20 5 GHBDMO O=C(c1ccco1)N1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232223740 1035171481 /nfs/dbraw/zinc/17/14/81/1035171481.db2.gz VGQDBDABGMGXPF-UHFFFAOYSA-N 1 1 386.455 3.724 20 5 GHBDMO O=C(c1ccco1)N1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232223740 1035171482 /nfs/dbraw/zinc/17/14/82/1035171482.db2.gz VGQDBDABGMGXPF-UHFFFAOYSA-N 1 1 386.455 3.724 20 5 GHBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3nc4ccccc4cc3[N+](=O)[O-])C2)c1 ZINC001161192937 1035174095 /nfs/dbraw/zinc/17/40/95/1035174095.db2.gz NQDRDLVQRZVDGB-KRWDZBQOSA-N 1 1 378.432 3.838 20 5 GHBDMO CCOc1ccc(-c2noc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)n2)cc1Cl ZINC001248209706 1035641314 /nfs/dbraw/zinc/64/13/14/1035641314.db2.gz UQOOPASBRUXBLD-OAHLLOKOSA-N 1 1 388.811 3.939 20 5 GHBDMO CCOc1ccc(-c2noc([C@@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c(F)c1F ZINC001248210527 1035642943 /nfs/dbraw/zinc/64/29/43/1035642943.db2.gz QWCBDEOVJPIIBG-ZDUSSCGKSA-N 1 1 390.346 3.564 20 5 GHBDMO COc1cc(-c2nc3cc(C)ccc3n2C2CC[NH2+]CC2)cc([N+](=O)[O-])c1O ZINC001247039204 1037863112 /nfs/dbraw/zinc/86/31/12/1037863112.db2.gz SGKPRXJXKDVLMW-UHFFFAOYSA-N 1 1 382.420 3.559 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001233707812 1039555661 /nfs/dbraw/zinc/55/56/61/1039555661.db2.gz MAISYHACSFWNCB-OAHLLOKOSA-N 1 1 375.356 3.686 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001233707812 1039555675 /nfs/dbraw/zinc/55/56/75/1039555675.db2.gz MAISYHACSFWNCB-OAHLLOKOSA-N 1 1 375.356 3.686 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2cc(F)c([N+](=O)[O-])c(F)c2)O1 ZINC001233752199 1039588640 /nfs/dbraw/zinc/58/86/40/1039588640.db2.gz ASQYYNRRGRZRNB-MRXNPFEDSA-N 1 1 392.402 3.931 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2cc(F)c([N+](=O)[O-])c(F)c2)O1 ZINC001233752199 1039588657 /nfs/dbraw/zinc/58/86/57/1039588657.db2.gz ASQYYNRRGRZRNB-MRXNPFEDSA-N 1 1 392.402 3.931 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001233986171 1039744192 /nfs/dbraw/zinc/74/41/92/1039744192.db2.gz ISLMROOFFGRFAU-XLIONFOSSA-N 1 1 384.476 3.804 20 5 GHBDMO COc1c(O)ccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1[N+](=O)[O-] ZINC001462409645 1070233427 /nfs/dbraw/zinc/23/34/27/1070233427.db2.gz YFYFNMWRYZLERM-CQSZACIVSA-N 1 1 376.384 3.840 20 5 GHBDMO C[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001234357413 1039982560 /nfs/dbraw/zinc/98/25/60/1039982560.db2.gz CSVKDLIIIWRLPT-QKLQHJQFSA-N 1 1 396.491 3.723 20 5 GHBDMO C[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476079 1040261735 /nfs/dbraw/zinc/26/17/35/1040261735.db2.gz KZJYIGCDUXICRK-HSZRJFAPSA-N 1 1 394.519 3.770 20 5 GHBDMO Cc1cccc(O[C@@H]2CCC[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)n1 ZINC001254481356 1040267944 /nfs/dbraw/zinc/26/79/44/1040267944.db2.gz BKROIJMOIIGFNO-OAQYLSRUSA-N 1 1 396.491 3.810 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001254551434 1040319772 /nfs/dbraw/zinc/31/97/72/1040319772.db2.gz AVMPAVDASNQCSV-CVEARBPZSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001254553062 1040320574 /nfs/dbraw/zinc/32/05/74/1040320574.db2.gz RJIJUUHPTZOFHB-OLMNPRSZSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001254553062 1040320594 /nfs/dbraw/zinc/32/05/94/1040320594.db2.gz RJIJUUHPTZOFHB-OLMNPRSZSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001254553060 1040321695 /nfs/dbraw/zinc/32/16/95/1040321695.db2.gz RJIJUUHPTZOFHB-FHLIZLRMSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001254553060 1040321714 /nfs/dbraw/zinc/32/17/14/1040321714.db2.gz RJIJUUHPTZOFHB-FHLIZLRMSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001254554162 1040322443 /nfs/dbraw/zinc/32/24/43/1040322443.db2.gz AAETWWAAPPENEO-MRXNPFEDSA-N 1 1 384.480 3.555 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001254559212 1040329757 /nfs/dbraw/zinc/32/97/57/1040329757.db2.gz JSABDTADGHYZPT-HZPDHXFCSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001254568529 1040345102 /nfs/dbraw/zinc/34/51/02/1040345102.db2.gz ZZWWFYPMFKVUIG-HOTGVXAUSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001255293918 1040939681 /nfs/dbraw/zinc/93/96/81/1040939681.db2.gz VPXOFSNNFUNXEZ-OXQOHEQNSA-N 1 1 382.464 3.572 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(F)cc1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255478070 1041078104 /nfs/dbraw/zinc/07/81/04/1041078104.db2.gz JUYQAPSATVTBFW-ZDUSSCGKSA-N 1 1 386.358 3.913 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCc4ccc(F)cc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256100594 1041528692 /nfs/dbraw/zinc/52/86/92/1041528692.db2.gz KUXKTJYMWXUWDC-UHFFFAOYSA-N 1 1 385.439 3.770 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001291552469 1043339243 /nfs/dbraw/zinc/33/92/43/1043339243.db2.gz OKDSCPAIWCXYNM-OAHLLOKOSA-N 1 1 381.904 3.952 20 5 GHBDMO CC[C@@H](C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C(C)C ZINC001291702675 1043402909 /nfs/dbraw/zinc/40/29/09/1043402909.db2.gz ADUJPRMKNSBJSO-MRXNPFEDSA-N 1 1 388.516 3.676 20 5 GHBDMO C[C@]1(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001256506481 1043438479 /nfs/dbraw/zinc/43/84/79/1043438479.db2.gz ZUMOMHCQKYJAPG-JOCHJYFZSA-N 1 1 394.475 3.532 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001293364461 1044137727 /nfs/dbraw/zinc/13/77/27/1044137727.db2.gz NWZKOURDTRTYKZ-SFHVURJKSA-N 1 1 398.511 3.718 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001297115591 1045455874 /nfs/dbraw/zinc/45/58/74/1045455874.db2.gz JRBGJKYQMCVFKM-INIZCTEOSA-N 1 1 375.469 3.520 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)c(Br)c1 ZINC001262077970 1046174705 /nfs/dbraw/zinc/17/47/05/1046174705.db2.gz VFIORLMADMHRCM-CYBMUJFWSA-N 1 1 377.242 3.527 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)c(Br)c1 ZINC001262077970 1046174712 /nfs/dbraw/zinc/17/47/12/1046174712.db2.gz VFIORLMADMHRCM-CYBMUJFWSA-N 1 1 377.242 3.527 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC001302594313 1046995016 /nfs/dbraw/zinc/99/50/16/1046995016.db2.gz SODGVIDTOUPGTN-GOSISDBHSA-N 1 1 389.496 3.585 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001279363240 1047780620 /nfs/dbraw/zinc/78/06/20/1047780620.db2.gz AGFSCRFXFUOGSP-KCQSEKJDSA-N 1 1 393.487 3.977 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001279364298 1047781544 /nfs/dbraw/zinc/78/15/44/1047781544.db2.gz JTIXPVAOUZHZCY-FQEVSTJZSA-N 1 1 397.475 3.586 20 5 GHBDMO CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1C ZINC001306682115 1048810441 /nfs/dbraw/zinc/81/04/41/1048810441.db2.gz CQAROHAWXPUJQT-INIZCTEOSA-N 1 1 386.500 3.574 20 5 GHBDMO Cc1c(Br)c(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001306953904 1048976987 /nfs/dbraw/zinc/97/69/87/1048976987.db2.gz RCUMMYBHIVECID-NSHDSACASA-N 1 1 385.306 3.983 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1CNc1cccc(Br)c1[N+](=O)[O-] ZINC001307083657 1049062382 /nfs/dbraw/zinc/06/23/82/1049062382.db2.gz MXFKNIABQHEYTA-UHFFFAOYSA-N 1 1 388.225 3.859 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])C1 ZINC001307803335 1049601844 /nfs/dbraw/zinc/60/18/44/1049601844.db2.gz ITXDEWXBTCHLFJ-NVXWUHKLSA-N 1 1 390.484 3.601 20 5 GHBDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001307853293 1049635640 /nfs/dbraw/zinc/63/56/40/1049635640.db2.gz LSAUVXOLDHFNDR-RXVVDRJESA-N 1 1 388.439 3.571 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCN1CCc2ccccc21)[C@H]1CC[C@H](O)CC1 ZINC001307874892 1049657920 /nfs/dbraw/zinc/65/79/20/1049657920.db2.gz IOSJMFYUCAMECN-MEMLXQNLSA-N 1 1 395.503 3.763 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C(C)(C)O)C2)cc1OC ZINC001308050365 1049798165 /nfs/dbraw/zinc/79/81/65/1049798165.db2.gz PDKZZDFPBDBWIE-HOCLYGCPSA-N 1 1 380.485 3.621 20 5 GHBDMO CC1(C)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1c1ccccc1 ZINC001308114486 1049859057 /nfs/dbraw/zinc/85/90/57/1049859057.db2.gz RJNDUFXGWQINCY-HXUWFJFHSA-N 1 1 393.487 4.000 20 5 GHBDMO CCON(C)C(=O)C[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001308456968 1049980718 /nfs/dbraw/zinc/98/07/18/1049980718.db2.gz LTBMXNJOGKPCJH-UHFFFAOYSA-N 1 1 389.477 3.554 20 5 GHBDMO Cc1n[nH]cc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001327717419 1050261028 /nfs/dbraw/zinc/26/10/28/1050261028.db2.gz YNXNFTFKFBYOST-UHFFFAOYSA-N 1 1 379.258 3.768 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001330548564 1051025517 /nfs/dbraw/zinc/02/55/17/1051025517.db2.gz DZYWVODKAAWPGI-SEJPIABJSA-N 1 1 393.487 3.839 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001335103326 1052034311 /nfs/dbraw/zinc/03/43/11/1052034311.db2.gz VSJDJLNKLGAGDL-BTYIYWSLSA-N 1 1 394.431 3.689 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001311674991 1052321299 /nfs/dbraw/zinc/32/12/99/1052321299.db2.gz WXHCGJRUDOANKT-FSDCSDTHSA-N 1 1 376.501 3.630 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001312024254 1052535467 /nfs/dbraw/zinc/53/54/67/1052535467.db2.gz KDOJXIKGZBAFKZ-FXAWDEMLSA-N 1 1 396.491 3.928 20 5 GHBDMO CCOC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Br)CC1CC1 ZINC001342932592 1053443364 /nfs/dbraw/zinc/44/33/64/1053443364.db2.gz OFBKWXWGSGDUQF-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO CCOC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Br)CC1CC1 ZINC001342932592 1053443371 /nfs/dbraw/zinc/44/33/71/1053443371.db2.gz OFBKWXWGSGDUQF-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCc1nnc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC001345738483 1055234318 /nfs/dbraw/zinc/23/43/18/1055234318.db2.gz ACCGBTRRMKZPBW-KRWDZBQOSA-N 1 1 394.431 3.936 20 5 GHBDMO C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001320679002 1055925905 /nfs/dbraw/zinc/92/59/05/1055925905.db2.gz ZHRXIKWZVAWRNC-TUAOUCFPSA-N 1 1 385.258 3.662 20 5 GHBDMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cc(F)ccc1[N+](=O)[O-] ZINC001322394035 1056672013 /nfs/dbraw/zinc/67/20/13/1056672013.db2.gz VEZZNIXBQBRFCL-UHFFFAOYSA-N 1 1 397.410 3.848 20 5 GHBDMO COc1ccc(C[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C2CC2)cc1 ZINC000848473316 1057110383 /nfs/dbraw/zinc/11/03/83/1057110383.db2.gz DFKIAPQIXVUIFF-OAQYLSRUSA-N 1 1 395.459 3.541 20 5 GHBDMO COc1ccc(C[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C2CC2)cc1 ZINC000848473316 1057110386 /nfs/dbraw/zinc/11/03/86/1057110386.db2.gz DFKIAPQIXVUIFF-OAQYLSRUSA-N 1 1 395.459 3.541 20 5 GHBDMO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848487946 1057122951 /nfs/dbraw/zinc/12/29/51/1057122951.db2.gz BIUDOHRLCRVDBF-MGPUTAFESA-N 1 1 385.439 3.570 20 5 GHBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848487946 1057122954 /nfs/dbraw/zinc/12/29/54/1057122954.db2.gz BIUDOHRLCRVDBF-MGPUTAFESA-N 1 1 385.439 3.570 20 5 GHBDMO Cc1[nH+]cn(CCCCc2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)c1C ZINC000848615084 1057206203 /nfs/dbraw/zinc/20/62/03/1057206203.db2.gz PFHYGIUWNDELJF-UHFFFAOYSA-N 1 1 389.387 3.532 20 5 GHBDMO COCCn1cc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cn1 ZINC001327067945 1057591968 /nfs/dbraw/zinc/59/19/68/1057591968.db2.gz QVSWNNGACWJQPJ-UHFFFAOYSA-N 1 1 390.827 3.641 20 5 GHBDMO CCC(=O)c1ccc(NCc2cccc(C[NH+]3CCN(C)CC3)c2)c([N+](=O)[O-])c1 ZINC001339682643 1059387003 /nfs/dbraw/zinc/38/70/03/1059387003.db2.gz QEUMUQURNKTYOC-UHFFFAOYSA-N 1 1 396.491 3.547 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001341132953 1060435837 /nfs/dbraw/zinc/43/58/37/1060435837.db2.gz KQNYBGHXJMUEIJ-IRXDYDNUSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001341132953 1060435848 /nfs/dbraw/zinc/43/58/48/1060435848.db2.gz KQNYBGHXJMUEIJ-IRXDYDNUSA-N 1 1 377.803 3.563 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC001347484217 1062420652 /nfs/dbraw/zinc/42/06/52/1062420652.db2.gz OQRSRIMOASYVNQ-HZPDHXFCSA-N 1 1 390.484 3.722 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC001435308001 1062491302 /nfs/dbraw/zinc/49/13/02/1062491302.db2.gz AKLYOQQFODKLBD-IBGZPJMESA-N 1 1 385.439 3.951 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001435336931 1062521122 /nfs/dbraw/zinc/52/11/22/1062521122.db2.gz BRKDFAOHBFEBAI-QFBILLFUSA-N 1 1 381.476 3.852 20 5 GHBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001456456611 1062694125 /nfs/dbraw/zinc/69/41/25/1062694125.db2.gz FAVIYLQOAUFZTA-UHFFFAOYSA-N 1 1 383.452 3.811 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)cc1 ZINC001348099010 1062916846 /nfs/dbraw/zinc/91/68/46/1062916846.db2.gz PRRWDSGNHWBCHZ-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)c3nc4sccn4c3[N+](=O)[O-])C2)s1 ZINC001458469403 1063829425 /nfs/dbraw/zinc/82/94/25/1063829425.db2.gz QMFKPPQEYSJKDY-ZDUSSCGKSA-N 1 1 391.522 3.632 20 5 GHBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001458547038 1063883575 /nfs/dbraw/zinc/88/35/75/1063883575.db2.gz MRCXKKCCJJWEJS-CQSZACIVSA-N 1 1 383.290 3.961 20 5 GHBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001437770881 1063928914 /nfs/dbraw/zinc/92/89/14/1063928914.db2.gz QGBVTHBJFVTRMY-CJNGLKHVSA-N 1 1 395.887 3.539 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001438339145 1064037363 /nfs/dbraw/zinc/03/73/63/1064037363.db2.gz XJELWAQLEOSWIL-FUHWJXTLSA-N 1 1 399.516 3.571 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001459608271 1064140635 /nfs/dbraw/zinc/14/06/35/1064140635.db2.gz KYLULUVDOSHWPM-RHSMWYFYSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001459608271 1064140638 /nfs/dbraw/zinc/14/06/38/1064140638.db2.gz KYLULUVDOSHWPM-RHSMWYFYSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@](C)(CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001459625435 1064149027 /nfs/dbraw/zinc/14/90/27/1064149027.db2.gz SKKONTACJMHVSS-JOCHJYFZSA-N 1 1 397.475 3.887 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001459625435 1064149031 /nfs/dbraw/zinc/14/90/31/1064149031.db2.gz SKKONTACJMHVSS-JOCHJYFZSA-N 1 1 397.475 3.887 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC001459993031 1064327612 /nfs/dbraw/zinc/32/76/12/1064327612.db2.gz PCMVZHXLUDGFGP-OAHLLOKOSA-N 1 1 375.469 3.834 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001464424174 1064999657 /nfs/dbraw/zinc/99/96/57/1064999657.db2.gz FGOZEZIQZZNBHP-ZNMIVQPWSA-N 1 1 381.904 3.663 20 5 GHBDMO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001465969176 1065941537 /nfs/dbraw/zinc/94/15/37/1065941537.db2.gz HRYFQDPTLBRQNH-HNNXBMFYSA-N 1 1 391.830 3.734 20 5 GHBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001200384055 1066054840 /nfs/dbraw/zinc/05/48/40/1066054840.db2.gz MXAWOMNSEMLMGH-OAHLLOKOSA-N 1 1 384.436 3.993 20 5 GHBDMO C[C@@H](Nc1ccc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000847826906 1066218404 /nfs/dbraw/zinc/21/84/04/1066218404.db2.gz ZZRPQUQFKPCERP-HZPDHXFCSA-N 1 1 398.463 3.662 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001477797068 1078570105 /nfs/dbraw/zinc/57/01/05/1078570105.db2.gz GHYPZBLVKCOGQV-QGZVFWFLSA-N 1 1 396.919 3.745 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@H](C)[N@H+]1C ZINC001468545398 1067766070 /nfs/dbraw/zinc/76/60/70/1067766070.db2.gz IJEBBAIRRLXDGI-GASCZTMLSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@H](C)[N@@H+]1C ZINC001468545398 1067766077 /nfs/dbraw/zinc/76/60/77/1067766077.db2.gz IJEBBAIRRLXDGI-GASCZTMLSA-N 1 1 385.489 3.911 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC001470139849 1068591853 /nfs/dbraw/zinc/59/18/53/1068591853.db2.gz BALRMLVTEUHWJX-HXUWFJFHSA-N 1 1 385.439 3.717 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001460792966 1069182274 /nfs/dbraw/zinc/18/22/74/1069182274.db2.gz WNZARLJJNPFFKA-UHFFFAOYSA-N 1 1 383.782 3.990 20 5 GHBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460959401 1069297971 /nfs/dbraw/zinc/29/79/71/1069297971.db2.gz NGFBVBILXUPLPT-UHFFFAOYSA-N 1 1 381.448 3.813 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001471029010 1072892034 /nfs/dbraw/zinc/89/20/34/1072892034.db2.gz WPHRCJFYMGVHLA-NVXWUHKLSA-N 1 1 392.459 3.574 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001472667236 1073605604 /nfs/dbraw/zinc/60/56/04/1073605604.db2.gz QTYLHYMXIFFMBP-XQQFMLRXSA-N 1 1 383.876 3.813 20 5 GHBDMO CC[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001472721150 1073635233 /nfs/dbraw/zinc/63/52/33/1073635233.db2.gz ZEAQKHUYXDMAPN-SJLPKXTDSA-N 1 1 390.871 3.735 20 5 GHBDMO CC[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001472721150 1073635241 /nfs/dbraw/zinc/63/52/41/1073635241.db2.gz ZEAQKHUYXDMAPN-SJLPKXTDSA-N 1 1 390.871 3.735 20 5 GHBDMO CC[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001472721149 1073635282 /nfs/dbraw/zinc/63/52/82/1073635282.db2.gz ZEAQKHUYXDMAPN-FUHWJXTLSA-N 1 1 390.871 3.735 20 5 GHBDMO CC[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001472721149 1073635286 /nfs/dbraw/zinc/63/52/86/1073635286.db2.gz ZEAQKHUYXDMAPN-FUHWJXTLSA-N 1 1 390.871 3.735 20 5 GHBDMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001472860245 1073698854 /nfs/dbraw/zinc/69/88/54/1073698854.db2.gz NSHYTVKUHCLHMN-QGZVFWFLSA-N 1 1 384.436 3.994 20 5 GHBDMO C[C@@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001479296445 1079174286 /nfs/dbraw/zinc/17/42/86/1079174286.db2.gz AKOFKNOYEZVAME-KURKYZTESA-N 1 1 388.512 3.952 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCCN2CCN(c3ccccc3)CC2)C2CC2)c1 ZINC001473233071 1073878096 /nfs/dbraw/zinc/87/80/96/1073878096.db2.gz DMLJWNXQQNUJDJ-UHFFFAOYSA-N 1 1 394.519 3.772 20 5 GHBDMO O=[N+]([O-])c1cccc(CN(CCC[NH+]2CCN(c3ccccc3)CC2)C2CC2)c1 ZINC001473233071 1073878102 /nfs/dbraw/zinc/87/81/02/1073878102.db2.gz DMLJWNXQQNUJDJ-UHFFFAOYSA-N 1 1 394.519 3.772 20 5 GHBDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(Cl)cc1 ZINC001473262548 1073896258 /nfs/dbraw/zinc/89/62/58/1073896258.db2.gz YAIIVWDAAFTGEQ-UHFFFAOYSA-N 1 1 391.855 3.978 20 5 GHBDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001473523592 1074000384 /nfs/dbraw/zinc/00/03/84/1074000384.db2.gz KDSPZNHUZZVPLT-AWEZNQCLSA-N 1 1 393.846 3.977 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001473526456 1074002451 /nfs/dbraw/zinc/00/24/51/1074002451.db2.gz GIHVIYZPVNYDDS-GDBMZVCRSA-N 1 1 393.484 3.586 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)ccc1[N+](=O)[O-] ZINC001473581804 1074030220 /nfs/dbraw/zinc/03/02/20/1074030220.db2.gz FFZBMXWMYYDSPR-PZJWPPBQSA-N 1 1 384.476 3.952 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001473619349 1074051395 /nfs/dbraw/zinc/05/13/95/1074051395.db2.gz YZTREWARESUFLS-XOBRGWDASA-N 1 1 393.459 3.861 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001473619349 1074051405 /nfs/dbraw/zinc/05/14/05/1074051405.db2.gz YZTREWARESUFLS-XOBRGWDASA-N 1 1 393.459 3.861 20 5 GHBDMO COc1ccc(C[C@H]2CCCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC001473619982 1074052401 /nfs/dbraw/zinc/05/24/01/1074052401.db2.gz UFZAEXHWNVMTHL-GOSISDBHSA-N 1 1 397.475 3.948 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1CCNC(=O)OC(C)(C)C ZINC001473792191 1074144598 /nfs/dbraw/zinc/14/45/98/1074144598.db2.gz LSKKBQUYENKGKH-ZIAGYGMSSA-N 1 1 381.448 3.717 20 5 GHBDMO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001474225542 1074300117 /nfs/dbraw/zinc/30/01/17/1074300117.db2.gz LYHDHLRTOLRTNX-AWEZNQCLSA-N 1 1 389.477 3.552 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(C)c(Br)c2)c([N+](=O)[O-])cc1O ZINC001474256496 1074312289 /nfs/dbraw/zinc/31/22/89/1074312289.db2.gz ORIJWDGLQGSXNK-UHFFFAOYSA-N 1 1 381.226 3.670 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825961959 608526484 /nfs/dbraw/zinc/52/64/84/608526484.db2.gz PVPHFCSQVJFGOE-UHFFFAOYSA-N 1 1 390.403 3.667 20 5 GHBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180850222 837590565 /nfs/dbraw/zinc/59/05/65/837590565.db2.gz WKNYRUHGIWPCAC-WMZOPIPTSA-N 1 1 392.459 3.650 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000180987777 837779876 /nfs/dbraw/zinc/77/98/76/837779876.db2.gz SBZZLRFUEQNDNG-KRWDZBQOSA-N 1 1 385.464 3.505 20 5 GHBDMO Cc1cc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000584442653 834623072 /nfs/dbraw/zinc/62/30/72/834623072.db2.gz ALHWNKDAKITYEB-UHFFFAOYSA-N 1 1 381.358 3.924 20 5 GHBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000472324967 834871866 /nfs/dbraw/zinc/87/18/66/834871866.db2.gz XDBBPNBQMBSLJB-SJLPKXTDSA-N 1 1 395.459 3.846 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000536103334 834875408 /nfs/dbraw/zinc/87/54/08/834875408.db2.gz ORJFNTROMDCQDH-HNNXBMFYSA-N 1 1 377.485 3.624 20 5 GHBDMO Cc1ccc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510081920 834992540 /nfs/dbraw/zinc/99/25/40/834992540.db2.gz CCOZLTXRMVKQLZ-PKOBYXMFSA-N 1 1 381.476 3.934 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510087852 835060528 /nfs/dbraw/zinc/06/05/28/835060528.db2.gz RVOCKPBKLYPJHA-MJGOQNOKSA-N 1 1 381.476 3.934 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510087855 835060600 /nfs/dbraw/zinc/06/06/00/835060600.db2.gz RVOCKPBKLYPJHA-PKOBYXMFSA-N 1 1 381.476 3.934 20 5 GHBDMO C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583855943 835159411 /nfs/dbraw/zinc/15/94/11/835159411.db2.gz XYOKHFQLBNFMTJ-MSOLQXFVSA-N 1 1 381.476 3.679 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H](CO)C(C)C)cc1 ZINC000430217273 835201785 /nfs/dbraw/zinc/20/17/85/835201785.db2.gz KBQBTQOJSWKFPX-HXUWFJFHSA-N 1 1 388.464 3.631 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000014932159 835235663 /nfs/dbraw/zinc/23/56/63/835235663.db2.gz LEEBYYKWIQQXLP-NEPJUHHUSA-N 1 1 377.828 3.935 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120509645 835523321 /nfs/dbraw/zinc/52/33/21/835523321.db2.gz IBUYGMJZZDMMFJ-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120509645 835523323 /nfs/dbraw/zinc/52/33/23/835523323.db2.gz IBUYGMJZZDMMFJ-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO Cc1ccccc1OCCC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001167083294 835543795 /nfs/dbraw/zinc/54/37/95/835543795.db2.gz FICXPOFXNQQINB-UHFFFAOYSA-N 1 1 385.464 3.941 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612128100 835569093 /nfs/dbraw/zinc/56/90/93/835569093.db2.gz QLRHXJNIPFCVGN-CEMLEFRQSA-N 1 1 393.487 3.554 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000612131830 835580282 /nfs/dbraw/zinc/58/02/82/835580282.db2.gz FMRCWEBARIVXMV-HLAWJBBLSA-N 1 1 379.460 3.625 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612132294 835588696 /nfs/dbraw/zinc/58/86/96/835588696.db2.gz JINCRDPJCDFVSU-SESVDKBCSA-N 1 1 393.487 3.934 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000134612797 835870112 /nfs/dbraw/zinc/87/01/12/835870112.db2.gz UPISESQNZPGBOG-LBPRGKRZSA-N 1 1 376.425 3.922 20 5 GHBDMO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000549686552 844114852 /nfs/dbraw/zinc/11/48/52/844114852.db2.gz HQZSAMDCQVCTAL-YWZLYKJASA-N 1 1 385.439 3.570 20 5 GHBDMO COc1ccc2c(c1)CC[N@@H+]([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000375833782 836032570 /nfs/dbraw/zinc/03/25/70/836032570.db2.gz VDPAUPBXEKOQID-CQSZACIVSA-N 1 1 394.431 3.815 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000411132018 836064232 /nfs/dbraw/zinc/06/42/32/836064232.db2.gz KJANBXCXZBZEEA-SFHVURJKSA-N 1 1 387.411 3.908 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000411145801 836067842 /nfs/dbraw/zinc/06/78/42/836067842.db2.gz WUYMASKVYLRYDH-SCTDSRPQSA-N 1 1 387.867 3.771 20 5 GHBDMO C[N@H+]1CCCC12CCN(c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])CC2 ZINC000364812790 836068808 /nfs/dbraw/zinc/06/88/08/836068808.db2.gz OYJRIHNSIOUUHU-UHFFFAOYSA-N 1 1 394.344 3.709 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411595246 836229510 /nfs/dbraw/zinc/22/95/10/836229510.db2.gz XUZRDNUYPDWQRZ-WUHBCXKYSA-N 1 1 379.460 3.650 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000582618760 836510422 /nfs/dbraw/zinc/51/04/22/836510422.db2.gz IKJCYCJJNMCRIA-LBPRGKRZSA-N 1 1 387.402 3.854 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247026741 836585226 /nfs/dbraw/zinc/58/52/26/836585226.db2.gz NGUSIWMTPVDMAS-TZIWHRDSSA-N 1 1 379.460 3.722 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247100742 836802977 /nfs/dbraw/zinc/80/29/77/836802977.db2.gz XDHVCDLGEQZATI-HUUCEWRRSA-N 1 1 379.888 3.975 20 5 GHBDMO COc1ccc(C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000007661977 837026358 /nfs/dbraw/zinc/02/63/58/837026358.db2.gz ISQNICXVRNCRAI-UHFFFAOYSA-N 1 1 389.839 3.860 20 5 GHBDMO COc1ccc(C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000007661977 837026364 /nfs/dbraw/zinc/02/63/64/837026364.db2.gz ISQNICXVRNCRAI-UHFFFAOYSA-N 1 1 389.839 3.860 20 5 GHBDMO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000471297565 837103163 /nfs/dbraw/zinc/10/31/63/837103163.db2.gz SSFYKQAFAJTXCC-SFHVURJKSA-N 1 1 381.476 3.511 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180507635 837321719 /nfs/dbraw/zinc/32/17/19/837321719.db2.gz CJMZNCZZPPNDIJ-ZDUSSCGKSA-N 1 1 385.411 3.581 20 5 GHBDMO CCOC(=O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000177295109 837904178 /nfs/dbraw/zinc/90/41/78/837904178.db2.gz YBTBINGIEJCSCS-UHFFFAOYSA-N 1 1 387.436 3.600 20 5 GHBDMO CCOC(=O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000177295109 837904185 /nfs/dbraw/zinc/90/41/85/837904185.db2.gz YBTBINGIEJCSCS-UHFFFAOYSA-N 1 1 387.436 3.600 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCC[C@H]2CCC[NH2+]2)cc1 ZINC000414902817 838967417 /nfs/dbraw/zinc/96/74/17/838967417.db2.gz IPGGLMFUUCJSCG-LJQANCHMSA-N 1 1 391.475 3.679 20 5 GHBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000378376402 838982486 /nfs/dbraw/zinc/98/24/86/838982486.db2.gz JOVQWDCNECNNHB-FXAWDEMLSA-N 1 1 396.447 3.676 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000549168945 839139157 /nfs/dbraw/zinc/13/91/57/839139157.db2.gz OVCKKOUHRCBOEK-RBBKRZOGSA-N 1 1 384.476 3.524 20 5 GHBDMO C[C@@H](OC[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549172942 839156188 /nfs/dbraw/zinc/15/61/88/839156188.db2.gz PZHFUASBAUTMPB-FOIQADDNSA-N 1 1 392.883 3.861 20 5 GHBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261680570 839552786 /nfs/dbraw/zinc/55/27/86/839552786.db2.gz BVBJIDDMWDQDTL-KRWDZBQOSA-N 1 1 391.880 3.513 20 5 GHBDMO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000511523648 839609694 /nfs/dbraw/zinc/60/96/94/839609694.db2.gz GRBUNTPQIBTQFL-UHFFFAOYSA-N 1 1 379.844 3.808 20 5 GHBDMO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000511523648 839609699 /nfs/dbraw/zinc/60/96/99/839609699.db2.gz GRBUNTPQIBTQFL-UHFFFAOYSA-N 1 1 379.844 3.808 20 5 GHBDMO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247279169 839701346 /nfs/dbraw/zinc/70/13/46/839701346.db2.gz XDZRQWHLCYFAHI-QFBILLFUSA-N 1 1 397.475 3.776 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610445689 839746556 /nfs/dbraw/zinc/74/65/56/839746556.db2.gz DQSPEGJHPXRZPC-GOSISDBHSA-N 1 1 395.503 3.995 20 5 GHBDMO CC(C)Oc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000412198280 839959860 /nfs/dbraw/zinc/95/98/60/839959860.db2.gz WKSDXTRZQLGHLQ-LJQANCHMSA-N 1 1 397.475 3.729 20 5 GHBDMO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471609975 839992385 /nfs/dbraw/zinc/99/23/85/839992385.db2.gz LGQIMLYOCZPGOZ-LBPRGKRZSA-N 1 1 384.465 3.571 20 5 GHBDMO NC(=O)c1ccc(C[NH+](Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000053216207 840528729 /nfs/dbraw/zinc/52/87/29/840528729.db2.gz ZYOQTECCKXFRFE-UHFFFAOYSA-N 1 1 375.428 3.896 20 5 GHBDMO COc1cc2c(c(OC)c1OC)CC[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000432035533 840561598 /nfs/dbraw/zinc/56/15/98/840561598.db2.gz VHVQWDIKXXBNKG-AWEZNQCLSA-N 1 1 386.448 3.782 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000610481371 840746776 /nfs/dbraw/zinc/74/67/76/840746776.db2.gz WTOKDRHRMAYCSM-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000610481371 840746786 /nfs/dbraw/zinc/74/67/86/840746786.db2.gz WTOKDRHRMAYCSM-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO Cc1c(C[N@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000111057236 840993306 /nfs/dbraw/zinc/99/33/06/840993306.db2.gz PRRGXZKRFJSGPN-GOSISDBHSA-N 1 1 383.492 3.626 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120622478 844623963 /nfs/dbraw/zinc/62/39/63/844623963.db2.gz XWGLBHREZUHGEW-KRWDZBQOSA-N 1 1 388.512 3.923 20 5 GHBDMO C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000302066575 861194351 /nfs/dbraw/zinc/19/43/51/861194351.db2.gz WHDRCPSYWNJFAZ-NWDGAFQWSA-N 1 1 383.290 3.817 20 5 GHBDMO C[C@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000131099123 861194816 /nfs/dbraw/zinc/19/48/16/861194816.db2.gz OOIGZXLTSGCVOG-LPHOPBHVSA-N 1 1 399.516 3.607 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000107586397 841397327 /nfs/dbraw/zinc/39/73/27/841397327.db2.gz IWUXLFMCHUGGJO-QGZVFWFLSA-N 1 1 397.475 3.664 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000014929992 841407927 /nfs/dbraw/zinc/40/79/27/841407927.db2.gz KICHNBPIIAGILO-SWLSCSKDSA-N 1 1 375.450 3.829 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000014929992 841407937 /nfs/dbraw/zinc/40/79/37/841407937.db2.gz KICHNBPIIAGILO-SWLSCSKDSA-N 1 1 375.450 3.829 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178031681 841508125 /nfs/dbraw/zinc/50/81/25/841508125.db2.gz WBLFIASDEUZCII-INIZCTEOSA-N 1 1 385.439 3.572 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178031681 841508132 /nfs/dbraw/zinc/50/81/32/841508132.db2.gz WBLFIASDEUZCII-INIZCTEOSA-N 1 1 385.439 3.572 20 5 GHBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000600191544 861222903 /nfs/dbraw/zinc/22/29/03/861222903.db2.gz QBLAFDLDLWMVGD-UHFFFAOYSA-N 1 1 392.459 3.916 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000477208587 841911665 /nfs/dbraw/zinc/91/16/65/841911665.db2.gz JZXJETJNTVXIRK-UHFFFAOYSA-N 1 1 387.867 3.735 20 5 GHBDMO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[N@@H+](CC2CCC2)CC1 ZINC000569116280 842027039 /nfs/dbraw/zinc/02/70/39/842027039.db2.gz CSFRIWDIKTUFCK-UHFFFAOYSA-N 1 1 394.475 3.605 20 5 GHBDMO Cc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cc3OC(F)F)CC2)[nH+]c1 ZINC000302030581 842104361 /nfs/dbraw/zinc/10/43/61/842104361.db2.gz BUCBZGNIHVFFBL-UHFFFAOYSA-N 1 1 378.379 3.981 20 5 GHBDMO CCS[C@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112090322 842182169 /nfs/dbraw/zinc/18/21/69/842182169.db2.gz BYPSENXMLLZXIT-ZFWWWQNUSA-N 1 1 381.498 3.538 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093684935 842370580 /nfs/dbraw/zinc/37/05/80/842370580.db2.gz LYHIGJQHKUTSTA-HNNXBMFYSA-N 1 1 387.402 3.526 20 5 GHBDMO COc1ccc(OCC[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000278985128 842430298 /nfs/dbraw/zinc/43/02/98/842430298.db2.gz RMTFCEQKBZDRIC-VIFPVBQESA-N 1 1 391.371 3.808 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1C ZINC000178267306 842649274 /nfs/dbraw/zinc/64/92/74/842649274.db2.gz BZSHYEAGGLGTQT-UHFFFAOYSA-N 1 1 398.463 3.583 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000603889975 861334002 /nfs/dbraw/zinc/33/40/02/861334002.db2.gz ILAVPPASNLKGBY-INIZCTEOSA-N 1 1 378.432 3.555 20 5 GHBDMO COc1ccc(C[N@@H+](C)C[C@H]2CCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093840405 842773174 /nfs/dbraw/zinc/77/31/74/842773174.db2.gz AOWGZFNLJFJJDS-GOSISDBHSA-N 1 1 386.448 3.651 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600229028 861350463 /nfs/dbraw/zinc/35/04/63/861350463.db2.gz NPPGZXAVBCKJIB-YOEHRIQHSA-N 1 1 377.510 3.599 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000051406898 842968004 /nfs/dbraw/zinc/96/80/04/842968004.db2.gz ZZGMUFDUWREYDW-UHFFFAOYSA-N 1 1 395.459 3.660 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000512196250 843037873 /nfs/dbraw/zinc/03/78/73/843037873.db2.gz OBYJMFSEICHDNN-GOSISDBHSA-N 1 1 382.464 3.593 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430881195 843124273 /nfs/dbraw/zinc/12/42/73/843124273.db2.gz ZBKRAWCXUOJIOH-LYDJUCFBSA-N 1 1 379.460 3.983 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](OCCCc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000430932439 843197661 /nfs/dbraw/zinc/19/76/61/843197661.db2.gz GPYXDANHVLCJOP-NRFANRHFSA-N 1 1 397.475 3.647 20 5 GHBDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000510749593 843401416 /nfs/dbraw/zinc/40/14/16/843401416.db2.gz LDSIBTQEELNLCK-IBGZPJMESA-N 1 1 392.839 3.825 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000131487495 861418529 /nfs/dbraw/zinc/41/85/29/861418529.db2.gz OCVUVXVLRAHYTM-YJBOKZPZSA-N 1 1 385.439 3.859 20 5 GHBDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000481832767 843529849 /nfs/dbraw/zinc/52/98/49/843529849.db2.gz PXGOPVTZOZIQGV-CQSZACIVSA-N 1 1 381.274 3.507 20 5 GHBDMO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599636830 861429427 /nfs/dbraw/zinc/42/94/27/861429427.db2.gz PWFPZLVEZWFIAC-INIZCTEOSA-N 1 1 379.258 3.699 20 5 GHBDMO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599636830 861429429 /nfs/dbraw/zinc/42/94/29/861429429.db2.gz PWFPZLVEZWFIAC-INIZCTEOSA-N 1 1 379.258 3.699 20 5 GHBDMO Cc1cnc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000433288606 843975728 /nfs/dbraw/zinc/97/57/28/843975728.db2.gz RQPRRQQHNMUDJO-AWEZNQCLSA-N 1 1 388.493 3.875 20 5 GHBDMO C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+](C2CCC2)C1 ZINC000432914542 844640062 /nfs/dbraw/zinc/64/00/62/844640062.db2.gz SIARDFDCSQFLHV-LBPRGKRZSA-N 1 1 398.410 3.534 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000151146730 844991591 /nfs/dbraw/zinc/99/15/91/844991591.db2.gz XQHQZHTXLQNWSF-SEJPIABJSA-N 1 1 393.487 3.839 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000599680647 861519609 /nfs/dbraw/zinc/51/96/09/861519609.db2.gz VLHGEMKTGRGEMU-DZGCQCFKSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000599680647 861519622 /nfs/dbraw/zinc/51/96/22/861519622.db2.gz VLHGEMKTGRGEMU-DZGCQCFKSA-N 1 1 387.411 3.559 20 5 GHBDMO COC[C@@H](C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000599684259 861525454 /nfs/dbraw/zinc/52/54/54/861525454.db2.gz XJXWIJNUYREGPW-IIBYNOLFSA-N 1 1 397.475 3.582 20 5 GHBDMO C[N@@H+](CCS[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)Cc1ccccc1 ZINC000433038798 845041192 /nfs/dbraw/zinc/04/11/92/845041192.db2.gz LLRXTUUJMNNJQO-LJQANCHMSA-N 1 1 385.489 3.565 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1 ZINC000513256823 845154808 /nfs/dbraw/zinc/15/48/08/845154808.db2.gz UAUKFQJBNXYFFA-GASCZTMLSA-N 1 1 399.447 3.560 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1 ZINC000513256823 845154816 /nfs/dbraw/zinc/15/48/16/845154816.db2.gz UAUKFQJBNXYFFA-GASCZTMLSA-N 1 1 399.447 3.560 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255436149 845232954 /nfs/dbraw/zinc/23/29/54/845232954.db2.gz WPPGSIZDMOUJDI-DGDFFNOKSA-N 1 1 393.487 3.979 20 5 GHBDMO COc1cccc(C(C)(C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000611560889 845434645 /nfs/dbraw/zinc/43/46/45/845434645.db2.gz XWZGJZKUCZGFRH-HXUWFJFHSA-N 1 1 394.475 3.994 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000843813001 861575676 /nfs/dbraw/zinc/57/56/76/861575676.db2.gz FVTOLBDZYGEGKQ-HNNXBMFYSA-N 1 1 385.439 3.779 20 5 GHBDMO CC1(C)C[C@@H]([NH2+]Cc2cc(S(C)(=O)=O)ccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000502602958 846244466 /nfs/dbraw/zinc/24/44/66/846244466.db2.gz UPOGICULYQDQPZ-GOSISDBHSA-N 1 1 392.452 3.650 20 5 GHBDMO O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000731493208 861659388 /nfs/dbraw/zinc/65/93/88/861659388.db2.gz WCTGRFHXNARETO-GOSISDBHSA-N 1 1 376.526 3.926 20 5 GHBDMO O=C(CCc1ccccc1)N1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255027772 846343587 /nfs/dbraw/zinc/34/35/87/846343587.db2.gz ARKMYCUOTKJYTN-WDZFZDKYSA-N 1 1 393.487 3.775 20 5 GHBDMO O=C(CCc1ccccc1)N1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255027772 846343592 /nfs/dbraw/zinc/34/35/92/846343592.db2.gz ARKMYCUOTKJYTN-WDZFZDKYSA-N 1 1 393.487 3.775 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000119901548 846465085 /nfs/dbraw/zinc/46/50/85/846465085.db2.gz UTYOQLMMHHFTPR-UHFFFAOYSA-N 1 1 393.378 3.639 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000367067398 846535138 /nfs/dbraw/zinc/53/51/38/846535138.db2.gz RJPWHWPOFZREOV-PBHICJAKSA-N 1 1 389.477 3.573 20 5 GHBDMO CC[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000604075470 861712658 /nfs/dbraw/zinc/71/26/58/861712658.db2.gz UKPNONLKROJMIA-OXJNMPFZSA-N 1 1 396.491 3.792 20 5 GHBDMO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000503043686 846745815 /nfs/dbraw/zinc/74/58/15/846745815.db2.gz SJXSDOHBLKAYKG-QGZVFWFLSA-N 1 1 394.518 3.722 20 5 GHBDMO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000503043686 846745820 /nfs/dbraw/zinc/74/58/20/846745820.db2.gz SJXSDOHBLKAYKG-QGZVFWFLSA-N 1 1 394.518 3.722 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506942 861752520 /nfs/dbraw/zinc/75/25/20/861752520.db2.gz BCHUITVUXKDQNY-RTBURBONSA-N 1 1 375.513 3.950 20 5 GHBDMO Cc1nc(COc2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)cc2)no1 ZINC000183808828 847171190 /nfs/dbraw/zinc/17/11/90/847171190.db2.gz WCYHUQDMDWYKHM-UHFFFAOYSA-N 1 1 388.811 3.808 20 5 GHBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000135073945 847228876 /nfs/dbraw/zinc/22/88/76/847228876.db2.gz RFYKRKWNWXONCX-LAUBAEHRSA-N 1 1 396.491 3.962 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCCC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000562046625 847244459 /nfs/dbraw/zinc/24/44/59/847244459.db2.gz IZMRZUGMBABHAV-UHFFFAOYSA-N 1 1 375.469 3.978 20 5 GHBDMO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126434 847257210 /nfs/dbraw/zinc/25/72/10/847257210.db2.gz PYVOFPXMALTXQW-YJBOKZPZSA-N 1 1 387.505 3.883 20 5 GHBDMO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126434 847257221 /nfs/dbraw/zinc/25/72/21/847257221.db2.gz PYVOFPXMALTXQW-YJBOKZPZSA-N 1 1 387.505 3.883 20 5 GHBDMO COc1cc(-c2noc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])n2)ccc1C ZINC000511142002 847421659 /nfs/dbraw/zinc/42/16/59/847421659.db2.gz YEKXHMINWHRVBT-UHFFFAOYSA-N 1 1 382.420 3.636 20 5 GHBDMO COc1cc(-c2noc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])n2)ccc1C ZINC000511142002 847421664 /nfs/dbraw/zinc/42/16/64/847421664.db2.gz YEKXHMINWHRVBT-UHFFFAOYSA-N 1 1 382.420 3.636 20 5 GHBDMO Cc1nc(CC[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000503574048 847809072 /nfs/dbraw/zinc/80/90/72/847809072.db2.gz PPMQNXFQTMWUNO-UHFFFAOYSA-N 1 1 387.827 3.799 20 5 GHBDMO Cc1nnc(CC[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)[nH]1 ZINC000503574048 847809078 /nfs/dbraw/zinc/80/90/78/847809078.db2.gz PPMQNXFQTMWUNO-UHFFFAOYSA-N 1 1 387.827 3.799 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000303685904 861837632 /nfs/dbraw/zinc/83/76/32/861837632.db2.gz ZYYAWRAHWOBKEJ-NRFANRHFSA-N 1 1 383.448 3.596 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000303685904 861837649 /nfs/dbraw/zinc/83/76/49/861837649.db2.gz ZYYAWRAHWOBKEJ-NRFANRHFSA-N 1 1 383.448 3.596 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000131950487 861841884 /nfs/dbraw/zinc/84/18/84/861841884.db2.gz HXRVSLYZOWBUJP-HNNXBMFYSA-N 1 1 378.432 3.899 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc([NH+]2CCCC2)cc1C ZINC000052774370 847957215 /nfs/dbraw/zinc/95/72/15/847957215.db2.gz VRPZZGPJECHLIO-OAHLLOKOSA-N 1 1 398.463 3.951 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000024110922 848087322 /nfs/dbraw/zinc/08/73/22/848087322.db2.gz MKXRBNUZOHBLCS-MRXNPFEDSA-N 1 1 387.505 3.714 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(CO)(Cc4ccccc4)CC3)nc2c1 ZINC000277807776 848090031 /nfs/dbraw/zinc/09/00/31/848090031.db2.gz PUBQNXZXTPGDHG-UHFFFAOYSA-N 1 1 381.432 3.553 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000128113118 848128498 /nfs/dbraw/zinc/12/84/98/848128498.db2.gz VQNDIIOXFNAPHQ-LJQANCHMSA-N 1 1 386.448 3.793 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132223511 861971031 /nfs/dbraw/zinc/97/10/31/861971031.db2.gz BDOCQIIBXKXLPB-ICSRJNTNSA-N 1 1 379.460 3.722 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[C@H]1c1ccccc1 ZINC000248029490 849196107 /nfs/dbraw/zinc/19/61/07/849196107.db2.gz KAAAWHRCQNZZDY-NHCUHLMSSA-N 1 1 394.475 3.714 20 5 GHBDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000029615732 862013703 /nfs/dbraw/zinc/01/37/03/862013703.db2.gz XGZSGCHBPHLJJE-ZIAGYGMSSA-N 1 1 387.436 3.598 20 5 GHBDMO CC[NH+](CC)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000029620799 862016251 /nfs/dbraw/zinc/01/62/51/862016251.db2.gz AQPSCQORKIOMRF-QGZVFWFLSA-N 1 1 397.522 3.555 20 5 GHBDMO C[C@H](C1CC1)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000029724835 862049469 /nfs/dbraw/zinc/04/94/69/862049469.db2.gz WFHKAEKQEHFVRL-SNVBAGLBSA-N 1 1 382.258 3.559 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](O)C3)o2)c(Br)c1 ZINC000158771679 849726508 /nfs/dbraw/zinc/72/65/08/849726508.db2.gz MEUSQZDZBMBKTN-GFCCVEGCSA-N 1 1 381.226 3.574 20 5 GHBDMO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184013271 849929149 /nfs/dbraw/zinc/92/91/49/849929149.db2.gz OGNDMIGOYNOVDK-KRWDZBQOSA-N 1 1 393.447 3.746 20 5 GHBDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184013271 849929153 /nfs/dbraw/zinc/92/91/53/849929153.db2.gz OGNDMIGOYNOVDK-KRWDZBQOSA-N 1 1 393.447 3.746 20 5 GHBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000435046986 850018973 /nfs/dbraw/zinc/01/89/73/850018973.db2.gz ZRIGKWMVSAUOHJ-AWEZNQCLSA-N 1 1 393.871 3.661 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000487124666 850460104 /nfs/dbraw/zinc/46/01/04/850460104.db2.gz XQYKGHDCSZDABA-KRWDZBQOSA-N 1 1 393.443 3.635 20 5 GHBDMO COc1cc2c(cc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)OCO2 ZINC000487154522 850501365 /nfs/dbraw/zinc/50/13/65/850501365.db2.gz HHCXGOQDTSLCAD-UHFFFAOYSA-N 1 1 384.310 3.641 20 5 GHBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000487228769 850583520 /nfs/dbraw/zinc/58/35/20/850583520.db2.gz DMWUPNBNONHSSH-HNNXBMFYSA-N 1 1 385.489 3.818 20 5 GHBDMO O=C(NC1CC1)c1ccc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000435589616 850678151 /nfs/dbraw/zinc/67/81/51/850678151.db2.gz RCOSYWWCRMFLHQ-SFHVURJKSA-N 1 1 386.496 3.696 20 5 GHBDMO COc1ccccc1-c1ncc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000430076367 850729118 /nfs/dbraw/zinc/72/91/18/850729118.db2.gz DVEMXLVYDOXXQX-UHFFFAOYSA-N 1 1 378.432 3.735 20 5 GHBDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC001167959653 850776454 /nfs/dbraw/zinc/77/64/54/850776454.db2.gz PCAMMSBWULONON-QZTJIDSGSA-N 1 1 377.485 3.839 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425059054 850899112 /nfs/dbraw/zinc/89/91/12/850899112.db2.gz QIGSZSZJPDNIOB-WMLDXEAASA-N 1 1 377.510 3.509 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000513815968 850908594 /nfs/dbraw/zinc/90/85/94/850908594.db2.gz FNVFBTVREIQSRB-KRWDZBQOSA-N 1 1 399.516 3.733 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513881329 850969579 /nfs/dbraw/zinc/96/95/79/850969579.db2.gz NFGHXGKFDVPNMH-LJQANCHMSA-N 1 1 381.476 3.968 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[N@H+]1C ZINC000488217398 851275203 /nfs/dbraw/zinc/27/52/03/851275203.db2.gz NVLGVJURSCGJGW-GDBMZVCRSA-N 1 1 385.489 3.959 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H]1C1CCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000436253809 851385974 /nfs/dbraw/zinc/38/59/74/851385974.db2.gz OCJFJQUMBARZGG-QGZVFWFLSA-N 1 1 386.477 3.921 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](CCc2ccccc2)C2CCCC2)c1 ZINC000604493069 862252999 /nfs/dbraw/zinc/25/29/99/862252999.db2.gz KQNGIGMBSVQPDJ-NRFANRHFSA-N 1 1 384.476 3.822 20 5 GHBDMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)o2)cc1 ZINC000488769527 851758951 /nfs/dbraw/zinc/75/89/51/851758951.db2.gz NUZCDMPAXMTTIO-CQSZACIVSA-N 1 1 382.424 3.548 20 5 GHBDMO CCN(CC)[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000604532168 862283322 /nfs/dbraw/zinc/28/33/22/862283322.db2.gz CLCUNDXXYHGXMQ-LJQANCHMSA-N 1 1 385.464 3.539 20 5 GHBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000519575249 852169421 /nfs/dbraw/zinc/16/94/21/852169421.db2.gz KQMXTJCHOUMDJV-QOKNQOGYSA-N 1 1 387.505 3.959 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000507021776 852463617 /nfs/dbraw/zinc/46/36/17/852463617.db2.gz LGIIBDGTOSXFIC-WMLDXEAASA-N 1 1 380.448 3.727 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438505686 852505055 /nfs/dbraw/zinc/50/50/55/852505055.db2.gz QJKRROPPGBTPLB-YCRPNKLZSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438505686 852505057 /nfs/dbraw/zinc/50/50/57/852505057.db2.gz QJKRROPPGBTPLB-YCRPNKLZSA-N 1 1 383.448 3.594 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000438553264 852567848 /nfs/dbraw/zinc/56/78/48/852567848.db2.gz KZCUHHJDSJCNTI-QFIPXVFZSA-N 1 1 379.460 3.564 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 ZINC000490004475 852699942 /nfs/dbraw/zinc/69/99/42/852699942.db2.gz IOUIUQVNDWWLEI-QGZVFWFLSA-N 1 1 385.464 3.731 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000437849530 852845607 /nfs/dbraw/zinc/84/56/07/852845607.db2.gz GZXLGRMEROMVCU-INIZCTEOSA-N 1 1 382.464 3.670 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437844501 852861732 /nfs/dbraw/zinc/86/17/32/852861732.db2.gz UWSAJQDRMWRNNK-QAPCUYQASA-N 1 1 391.537 3.989 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000507628693 853124520 /nfs/dbraw/zinc/12/45/20/853124520.db2.gz GFSXAKMWJLEIHE-RDJZCZTQSA-N 1 1 385.489 3.639 20 5 GHBDMO C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490760117 853223706 /nfs/dbraw/zinc/22/37/06/853223706.db2.gz UBENYQMZIUPABY-RDJZCZTQSA-N 1 1 392.459 3.717 20 5 GHBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000517009349 853250555 /nfs/dbraw/zinc/25/05/55/853250555.db2.gz OTJMVMWWYBQNOO-HOTGVXAUSA-N 1 1 377.488 3.532 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2(N3CCCC3)CCOCC2)c2ccccc2)c1 ZINC000491016586 853399595 /nfs/dbraw/zinc/39/95/95/853399595.db2.gz CUBGTWZYVIOOJE-JOCHJYFZSA-N 1 1 395.503 3.919 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437698822 853433698 /nfs/dbraw/zinc/43/36/98/853433698.db2.gz PEARGNLPJZYXRI-IBGZPJMESA-N 1 1 394.475 3.543 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c(Cl)c1 ZINC000519776237 853481569 /nfs/dbraw/zinc/48/15/69/853481569.db2.gz FGAYGLSCOAZPMB-IBGZPJMESA-N 1 1 378.831 3.814 20 5 GHBDMO C[C@H]1[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000441301595 854069041 /nfs/dbraw/zinc/06/90/41/854069041.db2.gz HQIHWLSXYQYASA-HOCLYGCPSA-N 1 1 385.489 3.959 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000184458614 854322068 /nfs/dbraw/zinc/32/20/68/854322068.db2.gz XXQNEURBUCFOKJ-AWEZNQCLSA-N 1 1 382.892 3.560 20 5 GHBDMO C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458883514 854411795 /nfs/dbraw/zinc/41/17/95/854411795.db2.gz BRKSNQZLHSHEDR-JXFKEZNVSA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466588172 862568676 /nfs/dbraw/zinc/56/86/76/862568676.db2.gz SVHFXUJNNZCHLD-AWEZNQCLSA-N 1 1 382.892 3.702 20 5 GHBDMO CCC[N@@H+](CCc1cccs1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000184515934 854641672 /nfs/dbraw/zinc/64/16/72/854641672.db2.gz LDTKMQVMPVDTDC-UHFFFAOYSA-N 1 1 377.466 3.558 20 5 GHBDMO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589199726 854744372 /nfs/dbraw/zinc/74/43/72/854744372.db2.gz FUVHYUFOZFNCDB-INIZCTEOSA-N 1 1 386.452 3.823 20 5 GHBDMO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589199726 854744379 /nfs/dbraw/zinc/74/43/79/854744379.db2.gz FUVHYUFOZFNCDB-INIZCTEOSA-N 1 1 386.452 3.823 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000589496890 854908857 /nfs/dbraw/zinc/90/88/57/854908857.db2.gz WBPPBQALYKEQST-IBGZPJMESA-N 1 1 384.432 3.563 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000589496890 854908864 /nfs/dbraw/zinc/90/88/64/854908864.db2.gz WBPPBQALYKEQST-IBGZPJMESA-N 1 1 384.432 3.563 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000553272946 854942258 /nfs/dbraw/zinc/94/22/58/854942258.db2.gz VDYAGXHTSLCWII-HNNXBMFYSA-N 1 1 398.463 3.620 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)sc2C1 ZINC000273078216 855052140 /nfs/dbraw/zinc/05/21/40/855052140.db2.gz CGDHGAURVJOTJM-UHFFFAOYSA-N 1 1 385.449 3.551 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)sc2C1 ZINC000273078216 855052144 /nfs/dbraw/zinc/05/21/44/855052144.db2.gz CGDHGAURVJOTJM-UHFFFAOYSA-N 1 1 385.449 3.551 20 5 GHBDMO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000441467526 855088343 /nfs/dbraw/zinc/08/83/43/855088343.db2.gz DXNKEMFFEJVSNI-ATZDWAIDSA-N 1 1 378.469 3.508 20 5 GHBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC[N@H+]2C2CC2)c1 ZINC000482048390 862639935 /nfs/dbraw/zinc/63/99/35/862639935.db2.gz YJYZRRSLBFFCQE-TZIWHRDSSA-N 1 1 395.459 3.620 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000130809820 855123630 /nfs/dbraw/zinc/12/36/30/855123630.db2.gz XEUCCOYOSBCLAZ-MJGOQNOKSA-N 1 1 396.491 3.518 20 5 GHBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000438554182 855220851 /nfs/dbraw/zinc/22/08/51/855220851.db2.gz UARBFZQYTUOTBI-CQSZACIVSA-N 1 1 385.251 3.642 20 5 GHBDMO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000273332706 855278221 /nfs/dbraw/zinc/27/82/21/855278221.db2.gz JMMSSVLUARRQRL-GFCCVEGCSA-N 1 1 378.812 3.651 20 5 GHBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123032162 855282148 /nfs/dbraw/zinc/28/21/48/855282148.db2.gz GTHMQJOMBYUMKU-KRWDZBQOSA-N 1 1 390.443 3.537 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](Cc3cccs3)CC2)c1 ZINC000590153893 855301277 /nfs/dbraw/zinc/30/12/77/855301277.db2.gz VCQMQIHLJLCUDZ-UHFFFAOYSA-N 1 1 385.411 3.993 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590315356 855372968 /nfs/dbraw/zinc/37/29/68/855372968.db2.gz ZCHDYBMGJYKSPW-INIZCTEOSA-N 1 1 379.338 3.530 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590315356 855372972 /nfs/dbraw/zinc/37/29/72/855372972.db2.gz ZCHDYBMGJYKSPW-INIZCTEOSA-N 1 1 379.338 3.530 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000542701833 855502738 /nfs/dbraw/zinc/50/27/38/855502738.db2.gz PPONVHGWSHVLGK-KRWDZBQOSA-N 1 1 379.254 3.831 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591066138 855763173 /nfs/dbraw/zinc/76/31/73/855763173.db2.gz JNJJCUCDVKXDFV-VOQZNFBZSA-N 1 1 393.487 3.821 20 5 GHBDMO C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001272892964 855991833 /nfs/dbraw/zinc/99/18/33/855991833.db2.gz UPNYGSFZGWEAOC-IRXDYDNUSA-N 1 1 399.466 3.818 20 5 GHBDMO C[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000172223523 856374811 /nfs/dbraw/zinc/37/48/11/856374811.db2.gz NUOJDPMROXPQTN-SQNIBIBYSA-N 1 1 388.512 3.952 20 5 GHBDMO C[C@@H](NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000429234755 856543565 /nfs/dbraw/zinc/54/35/65/856543565.db2.gz CLRZHDVUOPQBLJ-CYBMUJFWSA-N 1 1 375.856 3.950 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000091685570 856548325 /nfs/dbraw/zinc/54/83/25/856548325.db2.gz WPQNFLGVQZJHHY-QKYXPGDISA-N 1 1 380.448 3.662 20 5 GHBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172837956 856631064 /nfs/dbraw/zinc/63/10/64/856631064.db2.gz ZFKPCJMBKMAGIH-HNNXBMFYSA-N 1 1 388.493 3.665 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592135610 856698385 /nfs/dbraw/zinc/69/83/85/856698385.db2.gz OLBWHJHXKQZJLW-JSGCOSHPSA-N 1 1 375.425 3.536 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592135610 856698391 /nfs/dbraw/zinc/69/83/91/856698391.db2.gz OLBWHJHXKQZJLW-JSGCOSHPSA-N 1 1 375.425 3.536 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301667506 856906755 /nfs/dbraw/zinc/90/67/55/856906755.db2.gz CTPFHOBHZQFMDH-ZIAGYGMSSA-N 1 1 397.317 3.843 20 5 GHBDMO COc1cc(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000592693967 857026896 /nfs/dbraw/zinc/02/68/96/857026896.db2.gz FPELEXVBKGHGCD-LJQANCHMSA-N 1 1 397.475 3.729 20 5 GHBDMO Cc1sc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1[N+](=O)[O-] ZINC000552869404 857087527 /nfs/dbraw/zinc/08/75/27/857087527.db2.gz RLOTWUVZYAAOBS-HNNXBMFYSA-N 1 1 385.445 3.819 20 5 GHBDMO Cc1cccc(N2CCC(Nc3ncc(Br)cc3[N+](=O)[O-])CC2)[nH+]1 ZINC000301690186 857220028 /nfs/dbraw/zinc/22/00/28/857220028.db2.gz NHAXCTIOIURBPI-UHFFFAOYSA-N 1 1 392.257 3.537 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000246432798 857378293 /nfs/dbraw/zinc/37/82/93/857378293.db2.gz CRRFDYTYPHOOLZ-PXNSSMCTSA-N 1 1 396.491 3.741 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H]4[C@@H](CCCN4C4CC4)C3)o2)c1 ZINC000246432798 857378376 /nfs/dbraw/zinc/37/83/76/857378376.db2.gz CRRFDYTYPHOOLZ-PXNSSMCTSA-N 1 1 396.491 3.741 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H]4[C@@H](CCCN4C4CC4)C3)o2)c1 ZINC000246432798 857378393 /nfs/dbraw/zinc/37/83/93/857378393.db2.gz CRRFDYTYPHOOLZ-PXNSSMCTSA-N 1 1 396.491 3.741 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246437642 857379898 /nfs/dbraw/zinc/37/98/98/857379898.db2.gz NERYLHXCUAOYHP-GUYCJALGSA-N 1 1 381.423 3.645 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246604720 857415387 /nfs/dbraw/zinc/41/53/87/857415387.db2.gz JCZNJPGRNLKYPH-NVXWUHKLSA-N 1 1 398.463 3.507 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246604720 857415394 /nfs/dbraw/zinc/41/53/94/857415394.db2.gz JCZNJPGRNLKYPH-NVXWUHKLSA-N 1 1 398.463 3.507 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccnc(-n4cccn4)c3)cs2)c1 ZINC000113320242 857424308 /nfs/dbraw/zinc/42/43/08/857424308.db2.gz XDLBCINVWBDJFJ-UHFFFAOYSA-N 1 1 392.444 3.589 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cccs1)C1CC1 ZINC000027109486 857444178 /nfs/dbraw/zinc/44/41/78/857444178.db2.gz NLOFKKUDSDOUTQ-UHFFFAOYSA-N 1 1 375.450 3.658 20 5 GHBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246748053 857448990 /nfs/dbraw/zinc/44/89/90/857448990.db2.gz NCBSIMWHWNQUFW-KUHUBIRLSA-N 1 1 387.411 3.525 20 5 GHBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246748053 857448993 /nfs/dbraw/zinc/44/89/93/857448993.db2.gz NCBSIMWHWNQUFW-KUHUBIRLSA-N 1 1 387.411 3.525 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592524595 857670315 /nfs/dbraw/zinc/67/03/15/857670315.db2.gz YRDPGVJAEYBUOQ-PGNDWZGLSA-N 1 1 379.460 3.636 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000486420832 857720072 /nfs/dbraw/zinc/72/00/72/857720072.db2.gz ATPJUEKUBGSXBC-CRAIPNDOSA-N 1 1 399.516 3.957 20 5 GHBDMO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301794932 857768187 /nfs/dbraw/zinc/76/81/87/857768187.db2.gz SLSBGQUCBHISAV-YLJYHZDGSA-N 1 1 393.491 3.813 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000555007104 858296761 /nfs/dbraw/zinc/29/67/61/858296761.db2.gz QUHQUTVTRKESJR-IAGOWNOFSA-N 1 1 389.496 3.720 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000301859114 858326239 /nfs/dbraw/zinc/32/62/39/858326239.db2.gz CXKGJIQNAYHAAM-CVEARBPZSA-N 1 1 395.381 3.661 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000595018482 858352165 /nfs/dbraw/zinc/35/21/65/858352165.db2.gz BFNWZFCBFPTINZ-MLGOLLRUSA-N 1 1 389.839 3.713 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(C2CCCCC2)C1=O ZINC000595039438 858376547 /nfs/dbraw/zinc/37/65/47/858376547.db2.gz FWTHXIWJPWFWCF-RDTXWAMCSA-N 1 1 375.469 3.578 20 5 GHBDMO CCC[N@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c2C1 ZINC000066968238 858379017 /nfs/dbraw/zinc/37/90/17/858379017.db2.gz IHAVTISNIWFWKB-CQSZACIVSA-N 1 1 398.463 3.768 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000593020611 858542538 /nfs/dbraw/zinc/54/25/38/858542538.db2.gz PZOOPNCWUHLAAE-CYBMUJFWSA-N 1 1 397.431 3.581 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)ccc1[N+](=O)[O-] ZINC000595521867 858551799 /nfs/dbraw/zinc/55/17/99/858551799.db2.gz GATYWWYJJJKNCF-UHFFFAOYSA-N 1 1 385.468 3.845 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000184909218 858630620 /nfs/dbraw/zinc/63/06/20/858630620.db2.gz IAVHLXZSFMBIAK-JRGCBEDISA-N 1 1 381.476 3.725 20 5 GHBDMO COc1cc(C[NH+]2CCC(c3ccon3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595828802 858701324 /nfs/dbraw/zinc/70/13/24/858701324.db2.gz MQAZZAZXXLYODY-UHFFFAOYSA-N 1 1 397.378 3.615 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000595921696 858735116 /nfs/dbraw/zinc/73/51/16/858735116.db2.gz WBMGZFCWSYKVSD-GFCCVEGCSA-N 1 1 395.868 3.871 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000595921696 858735120 /nfs/dbraw/zinc/73/51/20/858735120.db2.gz WBMGZFCWSYKVSD-GFCCVEGCSA-N 1 1 395.868 3.871 20 5 GHBDMO CC(C)(C)Oc1cc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596422838 858892654 /nfs/dbraw/zinc/89/26/54/858892654.db2.gz HPBDWUOWIGGTAU-IBGZPJMESA-N 1 1 399.491 3.951 20 5 GHBDMO O=[N+]([O-])c1c(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc2sccn21 ZINC000142823839 858975620 /nfs/dbraw/zinc/97/56/20/858975620.db2.gz MPFBDXVHCQAUQK-LBPRGKRZSA-N 1 1 377.495 3.690 20 5 GHBDMO COc1cc(F)c([N+](=O)[O-])c(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000301929648 858985701 /nfs/dbraw/zinc/98/57/01/858985701.db2.gz MFKRCHLURMTKMI-AWEZNQCLSA-N 1 1 389.427 3.575 20 5 GHBDMO COc1cc(F)c([N+](=O)[O-])c(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000301929648 858985711 /nfs/dbraw/zinc/98/57/11/858985711.db2.gz MFKRCHLURMTKMI-AWEZNQCLSA-N 1 1 389.427 3.575 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596829994 859112781 /nfs/dbraw/zinc/11/27/81/859112781.db2.gz PVHLOXQLNMEHHF-KRWDZBQOSA-N 1 1 386.496 3.676 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000543631002 859124352 /nfs/dbraw/zinc/12/43/52/859124352.db2.gz YCDQHUUETZUAOX-UHFFFAOYSA-N 1 1 380.347 3.865 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000543631002 859124358 /nfs/dbraw/zinc/12/43/58/859124358.db2.gz YCDQHUUETZUAOX-UHFFFAOYSA-N 1 1 380.347 3.865 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCc3nn(-c4ccccc4)cc3C2)c([N+](=O)[O-])c1 ZINC001170352875 881390070 /nfs/dbraw/zinc/39/00/70/881390070.db2.gz SMYRRHOWRGGUPT-INIZCTEOSA-N 1 1 392.459 3.778 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)o1 ZINC001212570133 859172483 /nfs/dbraw/zinc/17/24/83/859172483.db2.gz PESQTYQGPVNOHM-CQSZACIVSA-N 1 1 381.323 3.776 20 5 GHBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000543645355 859193222 /nfs/dbraw/zinc/19/32/22/859193222.db2.gz WWIPFWREPMHHBW-KRWDZBQOSA-N 1 1 386.427 3.862 20 5 GHBDMO C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000601420205 859249670 /nfs/dbraw/zinc/24/96/70/859249670.db2.gz CDKOZQCGSVUSMJ-SJORKVTESA-N 1 1 385.508 3.786 20 5 GHBDMO C[C@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000597094040 859281383 /nfs/dbraw/zinc/28/13/83/859281383.db2.gz AKZRPMYXUGNLLC-RYUDHWBXSA-N 1 1 395.891 3.605 20 5 GHBDMO Cc1ncsc1-c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000597149455 859317317 /nfs/dbraw/zinc/31/73/17/859317317.db2.gz KQLRDQCMFONALE-UHFFFAOYSA-N 1 1 395.488 3.744 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3c(F)cccc3[N+](=O)[O-])sc2C1 ZINC000601647517 859404907 /nfs/dbraw/zinc/40/49/07/859404907.db2.gz MKLKURHAKWIOFQ-UHFFFAOYSA-N 1 1 378.429 3.599 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474206026 859607374 /nfs/dbraw/zinc/60/73/74/859607374.db2.gz AXAISXMNLIYNCI-UHFFFAOYSA-N 1 1 397.475 3.649 20 5 GHBDMO O=[N+]([O-])c1ncccc1N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000611221725 859655341 /nfs/dbraw/zinc/65/53/41/859655341.db2.gz HAQBXSVDZFHKJR-UHFFFAOYSA-N 1 1 381.263 3.661 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)o1 ZINC000611254005 859664619 /nfs/dbraw/zinc/66/46/19/859664619.db2.gz DJCGBBOKZMSVKH-QGZVFWFLSA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCN(C[C@H]3CCCO3)CC2)o1 ZINC000611254005 859664624 /nfs/dbraw/zinc/66/46/24/859664624.db2.gz DJCGBBOKZMSVKH-QGZVFWFLSA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCN(C[C@H]3CCCO3)CC2)o1 ZINC000611254005 859664628 /nfs/dbraw/zinc/66/46/28/859664628.db2.gz DJCGBBOKZMSVKH-QGZVFWFLSA-N 1 1 385.464 3.542 20 5 GHBDMO NC(=O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CCCC1 ZINC000611254307 859664864 /nfs/dbraw/zinc/66/48/64/859664864.db2.gz XTYCTYVJMOKNDI-UHFFFAOYSA-N 1 1 377.828 3.738 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597583997 859666354 /nfs/dbraw/zinc/66/63/54/859666354.db2.gz WJCJUYWCNHYBLD-IRXDYDNUSA-N 1 1 395.500 3.745 20 5 GHBDMO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000611271960 859675675 /nfs/dbraw/zinc/67/56/75/859675675.db2.gz WXISEXQNLOESRE-UHFFFAOYSA-N 1 1 391.225 3.972 20 5 GHBDMO C[N@H+](Cc1cn[nH]c1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000611271960 859675677 /nfs/dbraw/zinc/67/56/77/859675677.db2.gz WXISEXQNLOESRE-UHFFFAOYSA-N 1 1 391.225 3.972 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000552079077 859719804 /nfs/dbraw/zinc/71/98/04/859719804.db2.gz PAJMNZLEVULRRL-OAHLLOKOSA-N 1 1 388.464 3.931 20 5 GHBDMO Cc1nn(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765013132 859728335 /nfs/dbraw/zinc/72/83/35/859728335.db2.gz YZMITKFDUXHCQB-AEFFLSMTSA-N 1 1 385.512 3.797 20 5 GHBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000611382744 859729782 /nfs/dbraw/zinc/72/97/82/859729782.db2.gz SNDFUTQTGPWUME-LBPRGKRZSA-N 1 1 395.419 3.871 20 5 GHBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895805580 859970687 /nfs/dbraw/zinc/97/06/87/859970687.db2.gz GCJJGEAARAKYIR-MRVPVSSYSA-N 1 1 389.214 3.612 20 5 GHBDMO CCn1c(SCC[C@H]2CCCC[N@H+]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000123682289 860035956 /nfs/dbraw/zinc/03/59/56/860035956.db2.gz HXUFCLNIPSRZSB-OAHLLOKOSA-N 1 1 375.498 3.840 20 5 GHBDMO O=C(NC1CC1)c1cccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000602531655 860101458 /nfs/dbraw/zinc/10/14/58/860101458.db2.gz ZFEHJJYGCCFFKK-UHFFFAOYSA-N 1 1 393.365 3.796 20 5 GHBDMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000484571107 860124934 /nfs/dbraw/zinc/12/49/34/860124934.db2.gz MVHSIZDZQUFUFA-CQSZACIVSA-N 1 1 379.416 3.923 20 5 GHBDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000484571107 860124940 /nfs/dbraw/zinc/12/49/40/860124940.db2.gz MVHSIZDZQUFUFA-CQSZACIVSA-N 1 1 379.416 3.923 20 5 GHBDMO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602719978 860230784 /nfs/dbraw/zinc/23/07/84/860230784.db2.gz VGUAMRQMQMEWLG-UHFFFAOYSA-N 1 1 385.287 3.710 20 5 GHBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1[N+](=O)[O-] ZINC000598395512 860278481 /nfs/dbraw/zinc/27/84/81/860278481.db2.gz DCXIYKUCBWCPPH-SFHVURJKSA-N 1 1 379.460 3.627 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000154864785 860303395 /nfs/dbraw/zinc/30/33/95/860303395.db2.gz TYQAOWUULYBGHS-UHFFFAOYSA-N 1 1 392.500 3.506 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552249650 860407946 /nfs/dbraw/zinc/40/79/46/860407946.db2.gz GWEUDGXCTHBBFY-PXNSSMCTSA-N 1 1 399.539 3.908 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598651047 860482765 /nfs/dbraw/zinc/48/27/65/860482765.db2.gz QFRNOMYNPIUEDI-MMOPVJDHSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598651047 860482776 /nfs/dbraw/zinc/48/27/76/860482776.db2.gz QFRNOMYNPIUEDI-MMOPVJDHSA-N 1 1 397.475 3.533 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc(C(C)=O)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000484970128 860558491 /nfs/dbraw/zinc/55/84/91/860558491.db2.gz JKFJWAFOASSEGL-QGZVFWFLSA-N 1 1 399.447 3.501 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc(C(C)=O)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000484970128 860558501 /nfs/dbraw/zinc/55/85/01/860558501.db2.gz JKFJWAFOASSEGL-QGZVFWFLSA-N 1 1 399.447 3.501 20 5 GHBDMO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000429019307 860705744 /nfs/dbraw/zinc/70/57/44/860705744.db2.gz ITTYPMHAUJANBK-BONVTDFDSA-N 1 1 383.217 3.881 20 5 GHBDMO CC1(C)C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2cc(F)ccc2O1 ZINC000593674558 860787390 /nfs/dbraw/zinc/78/73/90/860787390.db2.gz YBDVPCUJUITBNG-HNNXBMFYSA-N 1 1 388.395 3.897 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599245718 860951659 /nfs/dbraw/zinc/95/16/59/860951659.db2.gz UFXLSGWRZAYYHD-ZDUSSCGKSA-N 1 1 398.301 3.742 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000899511860 860955667 /nfs/dbraw/zinc/95/56/67/860955667.db2.gz VROIRIZGRDBUTN-UHFFFAOYSA-N 1 1 396.369 3.973 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000062230991 863128500 /nfs/dbraw/zinc/12/85/00/863128500.db2.gz INNMVQJJVCIRRR-KRWDZBQOSA-N 1 1 392.459 3.718 20 5 GHBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444005965 863135550 /nfs/dbraw/zinc/13/55/50/863135550.db2.gz ZQTNEVSIXXCSGV-CQSZACIVSA-N 1 1 399.441 3.564 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](COCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000444162989 863570239 /nfs/dbraw/zinc/57/02/39/863570239.db2.gz AJRMYWYVNOIYGF-PKOBYXMFSA-N 1 1 397.475 3.769 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000792870655 881740330 /nfs/dbraw/zinc/74/03/30/881740330.db2.gz JBQXMRNINVVZGZ-UHFFFAOYSA-N 1 1 391.811 3.952 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c([N+](=O)[O-])c1 ZINC000792870718 881741339 /nfs/dbraw/zinc/74/13/39/881741339.db2.gz JLIUUKYNVDGWKG-MRXNPFEDSA-N 1 1 381.392 3.517 20 5 GHBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n1)OC2 ZINC000520458242 881794681 /nfs/dbraw/zinc/79/46/81/881794681.db2.gz NKSDMZDCQPCZBK-CZUORRHYSA-N 1 1 398.341 3.589 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000499275748 881863416 /nfs/dbraw/zinc/86/34/16/881863416.db2.gz MSZAZOPKAWGDIP-GOSISDBHSA-N 1 1 378.375 3.812 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000499275748 881863435 /nfs/dbraw/zinc/86/34/35/881863435.db2.gz MSZAZOPKAWGDIP-GOSISDBHSA-N 1 1 378.375 3.812 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000738055569 865488565 /nfs/dbraw/zinc/48/85/65/865488565.db2.gz KQKOJZJCHRGLQB-FUHWJXTLSA-N 1 1 377.448 3.997 20 5 GHBDMO O=C(OCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000763798365 865654826 /nfs/dbraw/zinc/65/48/26/865654826.db2.gz WTVKBERCVDMVTD-UHFFFAOYSA-N 1 1 394.493 3.509 20 5 GHBDMO O=[N+]([O-])c1ccccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555230990 865750819 /nfs/dbraw/zinc/75/08/19/865750819.db2.gz JJKFFKYKWGIMLQ-IBGZPJMESA-N 1 1 381.476 3.936 20 5 GHBDMO COC(=O)c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC001170424613 881903198 /nfs/dbraw/zinc/90/31/98/881903198.db2.gz NDWBJZRYPOAGGF-INIZCTEOSA-N 1 1 394.431 3.637 20 5 GHBDMO COC(=O)c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC001170424613 881903214 /nfs/dbraw/zinc/90/32/14/881903214.db2.gz NDWBJZRYPOAGGF-INIZCTEOSA-N 1 1 394.431 3.637 20 5 GHBDMO CC(C)[N@H+]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000609036620 865913505 /nfs/dbraw/zinc/91/35/05/865913505.db2.gz JKERMPLNFVQIMF-UHFFFAOYSA-N 1 1 382.464 3.895 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444409624 866081820 /nfs/dbraw/zinc/08/18/20/866081820.db2.gz XZKPBSVVQDGELU-UHFFFAOYSA-N 1 1 382.464 3.584 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000609913663 866133980 /nfs/dbraw/zinc/13/39/80/866133980.db2.gz NAHBEHIOOKVMJM-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000609913663 866133988 /nfs/dbraw/zinc/13/39/88/866133988.db2.gz NAHBEHIOOKVMJM-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000478506694 866220025 /nfs/dbraw/zinc/22/00/25/866220025.db2.gz KQUBTNSMRWEUKD-HNAYVOBHSA-N 1 1 397.475 3.552 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000475545711 866255239 /nfs/dbraw/zinc/25/52/39/866255239.db2.gz BSBSONZQIQOYQM-AWEZNQCLSA-N 1 1 376.434 3.545 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](Cc2ccc(C)s2)C(C)C)cc1[N+](=O)[O-] ZINC000475567466 866329850 /nfs/dbraw/zinc/32/98/50/866329850.db2.gz RNBYUIRFUMPPRI-UHFFFAOYSA-N 1 1 392.477 3.927 20 5 GHBDMO COC(=O)c1cc(C)nc(N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1[N+](=O)[O-] ZINC000553112882 866821400 /nfs/dbraw/zinc/82/14/00/866821400.db2.gz JFQODPWNZIREEY-ZDUSSCGKSA-N 1 1 395.419 3.752 20 5 GHBDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000534472508 866877108 /nfs/dbraw/zinc/87/71/08/866877108.db2.gz CODFZYLLJXTRFM-QGZVFWFLSA-N 1 1 380.448 3.796 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOc3c(Cl)cccc3Cl)C2)nc1 ZINC000440495737 866972007 /nfs/dbraw/zinc/97/20/07/866972007.db2.gz PVIHHSNJCGHXPB-GFCCVEGCSA-N 1 1 397.262 3.862 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOc3c(Cl)cccc3Cl)C2)nc1 ZINC000440495737 866972023 /nfs/dbraw/zinc/97/20/23/866972023.db2.gz PVIHHSNJCGHXPB-GFCCVEGCSA-N 1 1 397.262 3.862 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000542485668 882036240 /nfs/dbraw/zinc/03/62/40/882036240.db2.gz SAFIOFYEBKIEBC-WMZOPIPTSA-N 1 1 395.793 3.588 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1)C(C)C ZINC000444641669 867024579 /nfs/dbraw/zinc/02/45/79/867024579.db2.gz GNVRPRANTFPAII-UHFFFAOYSA-N 1 1 395.463 3.631 20 5 GHBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1(c2ccccc2)CC1 ZINC000444681967 867055587 /nfs/dbraw/zinc/05/55/87/867055587.db2.gz XZFSSFZHYBCREW-UHFFFAOYSA-N 1 1 381.432 3.556 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000444746509 867171663 /nfs/dbraw/zinc/17/16/63/867171663.db2.gz VYMIRALQWWBYKE-UHFFFAOYSA-N 1 1 375.400 3.512 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475700886 882081948 /nfs/dbraw/zinc/08/19/48/882081948.db2.gz XPCNFGFLAMMZHG-APWZRJJASA-N 1 1 398.459 3.772 20 5 GHBDMO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000065357498 868202665 /nfs/dbraw/zinc/20/26/65/868202665.db2.gz XXADSHTYCHNYTB-GOSISDBHSA-N 1 1 382.464 3.937 20 5 GHBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442720050 868399100 /nfs/dbraw/zinc/39/91/00/868399100.db2.gz RCKLEZQHIQSQLL-HUUCEWRRSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442720050 868399118 /nfs/dbraw/zinc/39/91/18/868399118.db2.gz RCKLEZQHIQSQLL-HUUCEWRRSA-N 1 1 385.489 3.911 20 5 GHBDMO Cc1cccc(C[NH+]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000524143075 868592229 /nfs/dbraw/zinc/59/22/29/868592229.db2.gz GJAYUKPLUXCZLN-UHFFFAOYSA-N 1 1 381.476 3.525 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000744384437 868801873 /nfs/dbraw/zinc/80/18/73/868801873.db2.gz WOVRGRAFPKTOKT-KRWDZBQOSA-N 1 1 385.439 3.718 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000480022922 868891260 /nfs/dbraw/zinc/89/12/60/868891260.db2.gz WINYIGODLZCUJN-IBGZPJMESA-N 1 1 386.427 3.766 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000535582008 869013309 /nfs/dbraw/zinc/01/33/09/869013309.db2.gz DDZGNQQESAQQFS-UHFFFAOYSA-N 1 1 377.444 3.501 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000440934751 869318552 /nfs/dbraw/zinc/31/85/52/869318552.db2.gz UKNCWJDUFGGRJX-MAUKXSAKSA-N 1 1 394.475 3.562 20 5 GHBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000428431207 869372468 /nfs/dbraw/zinc/37/24/68/869372468.db2.gz RVSCKBCSLKYZDL-OAQYLSRUSA-N 1 1 386.448 3.529 20 5 GHBDMO COc1ccc(CNCC[N@@H+]2CC[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539704670 869630971 /nfs/dbraw/zinc/63/09/71/869630971.db2.gz XVUSIVYEVYBUET-QGZVFWFLSA-N 1 1 399.491 3.614 20 5 GHBDMO COc1ccc(CNCC[N@H+]2CC[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539704670 869630975 /nfs/dbraw/zinc/63/09/75/869630975.db2.gz XVUSIVYEVYBUET-QGZVFWFLSA-N 1 1 399.491 3.614 20 5 GHBDMO C[C@H]1C[N@@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000539827786 869860221 /nfs/dbraw/zinc/86/02/21/869860221.db2.gz AWDOKBWKFACWQY-LBPRGKRZSA-N 1 1 394.269 3.753 20 5 GHBDMO C[C@H]1CN(C)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000539827786 869860238 /nfs/dbraw/zinc/86/02/38/869860238.db2.gz AWDOKBWKFACWQY-LBPRGKRZSA-N 1 1 394.269 3.753 20 5 GHBDMO C[C@H]1CN(C)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000539827786 869860249 /nfs/dbraw/zinc/86/02/49/869860249.db2.gz AWDOKBWKFACWQY-LBPRGKRZSA-N 1 1 394.269 3.753 20 5 GHBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000539827835 869861396 /nfs/dbraw/zinc/86/13/96/869861396.db2.gz HHVWFLODCFVQGT-ZLQZBKBYSA-N 1 1 385.851 3.999 20 5 GHBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000539827835 869861409 /nfs/dbraw/zinc/86/14/09/869861409.db2.gz HHVWFLODCFVQGT-ZLQZBKBYSA-N 1 1 385.851 3.999 20 5 GHBDMO COc1cccc(C[N@H+](CC(C)C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000746053951 869981423 /nfs/dbraw/zinc/98/14/23/869981423.db2.gz PDSCXAGTLAGNHA-UHFFFAOYSA-N 1 1 385.420 3.627 20 5 GHBDMO COc1cccc(C[N@@H+](CC(C)C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000746053951 869981431 /nfs/dbraw/zinc/98/14/31/869981431.db2.gz PDSCXAGTLAGNHA-UHFFFAOYSA-N 1 1 385.420 3.627 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)c1C ZINC000462758314 870038441 /nfs/dbraw/zinc/03/84/41/870038441.db2.gz FCTSNFSNTWFRIU-UHFFFAOYSA-N 1 1 379.420 3.838 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000525193156 870117061 /nfs/dbraw/zinc/11/70/61/870117061.db2.gz SCDUTJDNMGZKJW-UHFFFAOYSA-N 1 1 377.391 3.958 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000540013178 870197956 /nfs/dbraw/zinc/19/79/56/870197956.db2.gz HQUMUWJLZKDEDK-UHFFFAOYSA-N 1 1 387.524 3.888 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c(OC)c3)CC2)cs1 ZINC000462845062 870218709 /nfs/dbraw/zinc/21/87/09/870218709.db2.gz KTGIMAYRPCPIJS-UHFFFAOYSA-N 1 1 390.509 3.946 20 5 GHBDMO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000441074335 870243950 /nfs/dbraw/zinc/24/39/50/870243950.db2.gz UIUILWPVLTWOEM-KKSFZXQISA-N 1 1 376.460 3.907 20 5 GHBDMO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000441074335 870243952 /nfs/dbraw/zinc/24/39/52/870243952.db2.gz UIUILWPVLTWOEM-KKSFZXQISA-N 1 1 376.460 3.907 20 5 GHBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000461545175 870390203 /nfs/dbraw/zinc/39/02/03/870390203.db2.gz OCXQODRDFQKBQK-AWEZNQCLSA-N 1 1 383.467 3.671 20 5 GHBDMO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC(F)F)cc1C ZINC000446844706 870581736 /nfs/dbraw/zinc/58/17/36/870581736.db2.gz VIXUIWFJBDTYGS-UHFFFAOYSA-N 1 1 376.363 3.979 20 5 GHBDMO CC[N@H+](Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000463021636 870705522 /nfs/dbraw/zinc/70/55/22/870705522.db2.gz HDYVTUHHMYGXKV-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO CC[N@@H+](Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000463021636 870705557 /nfs/dbraw/zinc/70/55/57/870705557.db2.gz HDYVTUHHMYGXKV-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001193094278 870904530 /nfs/dbraw/zinc/90/45/30/870904530.db2.gz PNLXDYZVKAPOJZ-NRFANRHFSA-N 1 1 396.491 3.520 20 5 GHBDMO CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001193094278 870904539 /nfs/dbraw/zinc/90/45/39/870904539.db2.gz PNLXDYZVKAPOJZ-NRFANRHFSA-N 1 1 396.491 3.520 20 5 GHBDMO CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001193094278 870904558 /nfs/dbraw/zinc/90/45/58/870904558.db2.gz PNLXDYZVKAPOJZ-NRFANRHFSA-N 1 1 396.491 3.520 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011920 871096520 /nfs/dbraw/zinc/09/65/20/871096520.db2.gz NJVAEXVENJLZNE-SQGPQFPESA-N 1 1 381.517 3.687 20 5 GHBDMO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000540477445 871358401 /nfs/dbraw/zinc/35/84/01/871358401.db2.gz DUJNMVWLKPWNLE-INIZCTEOSA-N 1 1 382.464 3.793 20 5 GHBDMO COc1cccc(CC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000618305226 871482117 /nfs/dbraw/zinc/48/21/17/871482117.db2.gz KCYVWOBTHHMSKU-UHFFFAOYSA-N 1 1 380.448 3.934 20 5 GHBDMO Cc1ccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000618470593 871654223 /nfs/dbraw/zinc/65/42/23/871654223.db2.gz XASNQSWLFQTSBF-UHFFFAOYSA-N 1 1 388.855 3.790 20 5 GHBDMO O=C1[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccccc1F ZINC001194466926 871707392 /nfs/dbraw/zinc/70/73/92/871707392.db2.gz MAYAYRJSUXRRMJ-OXQOHEQNSA-N 1 1 383.423 3.719 20 5 GHBDMO O=C1[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccccc1F ZINC001194466926 871707405 /nfs/dbraw/zinc/70/74/05/871707405.db2.gz MAYAYRJSUXRRMJ-OXQOHEQNSA-N 1 1 383.423 3.719 20 5 GHBDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC001169675457 871779424 /nfs/dbraw/zinc/77/94/24/871779424.db2.gz ITWSZKAZGOEEDK-INIZCTEOSA-N 1 1 387.455 3.839 20 5 GHBDMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC001169675457 871779442 /nfs/dbraw/zinc/77/94/42/871779442.db2.gz ITWSZKAZGOEEDK-INIZCTEOSA-N 1 1 387.455 3.839 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462192346 871820590 /nfs/dbraw/zinc/82/05/90/871820590.db2.gz BLAOUEICJPJMHQ-TWOQFEAHSA-N 1 1 399.516 3.712 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000552047949 871931775 /nfs/dbraw/zinc/93/17/75/871931775.db2.gz AVRHWWJGGGRHPK-FQEVSTJZSA-N 1 1 390.447 3.516 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000475712366 882578929 /nfs/dbraw/zinc/57/89/29/882578929.db2.gz YDFDJTBRJBJTLR-APWZRJJASA-N 1 1 398.459 3.600 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000478031354 872380955 /nfs/dbraw/zinc/38/09/55/872380955.db2.gz UVHTUOVPWVGNAB-ROUUACIJSA-N 1 1 375.469 3.511 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)ccc1Cl ZINC000767426241 872511838 /nfs/dbraw/zinc/51/18/38/872511838.db2.gz MZPXDMVHSGBVIV-CQSZACIVSA-N 1 1 385.645 3.834 20 5 GHBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000448034650 872725373 /nfs/dbraw/zinc/72/53/73/872725373.db2.gz KFOIWLCOEFRSLG-FQEVSTJZSA-N 1 1 382.464 3.827 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182851919 872836057 /nfs/dbraw/zinc/83/60/57/872836057.db2.gz PUJUWHVBYJDKLM-ZDUSSCGKSA-N 1 1 384.358 3.526 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182851943 872836321 /nfs/dbraw/zinc/83/63/21/872836321.db2.gz PUJUWHVBYJDKLM-CYBMUJFWSA-N 1 1 384.358 3.526 20 5 GHBDMO O=C1C[C@@]2(CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)Oc2ccccc21 ZINC001196131849 872888054 /nfs/dbraw/zinc/88/80/54/872888054.db2.gz JVRLQAMGUTYCCH-JOCHJYFZSA-N 1 1 396.443 3.864 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000619784373 872997638 /nfs/dbraw/zinc/99/76/38/872997638.db2.gz DVYIMTYQRNWNDO-HXUWFJFHSA-N 1 1 387.411 3.503 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000448217296 873025307 /nfs/dbraw/zinc/02/53/07/873025307.db2.gz LEKOZHMWXRBDLP-IBGZPJMESA-N 1 1 390.528 3.585 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000552755085 873135478 /nfs/dbraw/zinc/13/54/78/873135478.db2.gz BRKZMVNIJKIHQQ-UHFFFAOYSA-N 1 1 387.461 3.997 20 5 GHBDMO COc1ccc(C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)CCCO)cc1 ZINC001196683146 873282683 /nfs/dbraw/zinc/28/26/83/873282683.db2.gz CARQWIBPWBLKEX-OAHLLOKOSA-N 1 1 376.428 3.906 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)CCCO)cc1 ZINC001196683146 873282688 /nfs/dbraw/zinc/28/26/88/873282688.db2.gz CARQWIBPWBLKEX-OAHLLOKOSA-N 1 1 376.428 3.906 20 5 GHBDMO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CN1c1ccccc1Cl ZINC000541540529 873797478 /nfs/dbraw/zinc/79/74/78/873797478.db2.gz YUXHCEVIKRLKOF-GFCCVEGCSA-N 1 1 380.231 3.797 20 5 GHBDMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000541583370 873871494 /nfs/dbraw/zinc/87/14/94/873871494.db2.gz RAIVSBYBAMWZDN-IAGOWNOFSA-N 1 1 399.466 3.960 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541833962 874379925 /nfs/dbraw/zinc/37/99/25/874379925.db2.gz RCDNHFUGUJFEGB-CYBMUJFWSA-N 1 1 392.456 3.829 20 5 GHBDMO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)C1 ZINC000769989674 874387876 /nfs/dbraw/zinc/38/78/76/874387876.db2.gz WHYAOFDMPRQPIE-DNVCBOLYSA-N 1 1 387.436 3.660 20 5 GHBDMO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464781964 874482184 /nfs/dbraw/zinc/48/21/84/874482184.db2.gz UORBZNREIFNLGR-AQFXKWCLSA-N 1 1 389.496 3.521 20 5 GHBDMO Cc1sc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000129857465 874560355 /nfs/dbraw/zinc/56/03/55/874560355.db2.gz CHJGGBPBEBPIMC-LRDDRELGSA-N 1 1 379.507 3.839 20 5 GHBDMO COc1cc(C[N@H+](C2CC2)C2COC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000449349739 874743625 /nfs/dbraw/zinc/74/36/25/874743625.db2.gz GXDHGYDSQYZCOF-UHFFFAOYSA-N 1 1 384.432 3.546 20 5 GHBDMO COc1cc(C[N@@H+](C2CC2)C2COC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000449349739 874743636 /nfs/dbraw/zinc/74/36/36/874743636.db2.gz GXDHGYDSQYZCOF-UHFFFAOYSA-N 1 1 384.432 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000770663444 874809957 /nfs/dbraw/zinc/80/99/57/874809957.db2.gz DNLCQGFKCNJJOH-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3csc(-c4ncccn4)n3)C2)cc1 ZINC000449503832 874967216 /nfs/dbraw/zinc/96/72/16/874967216.db2.gz UVJMVZAOILGMDN-OAHLLOKOSA-N 1 1 381.461 3.888 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3csc(-c4ncccn4)n3)C2)cc1 ZINC000449503832 874967228 /nfs/dbraw/zinc/96/72/28/874967228.db2.gz UVJMVZAOILGMDN-OAHLLOKOSA-N 1 1 381.461 3.888 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([NH2+][C@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449619768 875135106 /nfs/dbraw/zinc/13/51/06/875135106.db2.gz QVQJUMOLVOXHCN-WFXMLNOXSA-N 1 1 392.459 3.962 20 5 GHBDMO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc([N+](=O)[O-])c1 ZINC000122507718 875210318 /nfs/dbraw/zinc/21/03/18/875210318.db2.gz HEMAQSBGMCNFCF-UHFFFAOYSA-N 1 1 389.402 3.576 20 5 GHBDMO Cc1cccc([C@H]2CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)c1 ZINC000542318480 875360763 /nfs/dbraw/zinc/36/07/63/875360763.db2.gz ZSYPIVSCBWCYKO-KRWDZBQOSA-N 1 1 381.432 3.691 20 5 GHBDMO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000491368385 875620097 /nfs/dbraw/zinc/62/00/97/875620097.db2.gz PLVMRILIQUQTSN-WMZOPIPTSA-N 1 1 382.464 3.935 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000153102842 875787408 /nfs/dbraw/zinc/78/74/08/875787408.db2.gz UVCHGQUTIIIRQZ-OXJNMPFZSA-N 1 1 387.505 3.788 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3nccc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000450273108 876173178 /nfs/dbraw/zinc/17/31/78/876173178.db2.gz APNBBBYPAYVHHL-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3nccc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000450273108 876173188 /nfs/dbraw/zinc/17/31/88/876173188.db2.gz APNBBBYPAYVHHL-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@@H]1C[NH+](CCC2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000537659559 883006056 /nfs/dbraw/zinc/00/60/56/883006056.db2.gz YJYANOWGHMLXCC-MFDDNUIFSA-N 1 1 387.524 3.819 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000173152732 876316038 /nfs/dbraw/zinc/31/60/38/876316038.db2.gz HENHFYAPZQXBHP-UHFFFAOYSA-N 1 1 389.402 3.576 20 5 GHBDMO COC(=O)c1nc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1Cl ZINC000850516900 876988775 /nfs/dbraw/zinc/98/87/75/876988775.db2.gz ZDCBCFXMKMBUMG-MRXNPFEDSA-N 1 1 389.839 3.942 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000609975204 877236503 /nfs/dbraw/zinc/23/65/03/877236503.db2.gz ISPMAXWJPBJVQW-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000609975204 877236515 /nfs/dbraw/zinc/23/65/15/877236515.db2.gz ISPMAXWJPBJVQW-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000428717960 877334348 /nfs/dbraw/zinc/33/43/48/877334348.db2.gz LVJCFWWWZLNPBO-FXAWDEMLSA-N 1 1 394.475 3.895 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001170074667 877459852 /nfs/dbraw/zinc/45/98/52/877459852.db2.gz LBXUUBPNOHOOCP-INIZCTEOSA-N 1 1 393.484 3.873 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000110069022 877791711 /nfs/dbraw/zinc/79/17/11/877791711.db2.gz PUXNHQNFYOBVSE-INIZCTEOSA-N 1 1 393.484 3.553 20 5 GHBDMO Cc1noc(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000851737158 877886019 /nfs/dbraw/zinc/88/60/19/877886019.db2.gz UPODYDVAFPISTJ-CQSZACIVSA-N 1 1 380.242 3.861 20 5 GHBDMO Cc1noc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851832451 877931953 /nfs/dbraw/zinc/93/19/53/877931953.db2.gz CEPQUQFVBVNJPE-GJZGRUSLSA-N 1 1 394.472 3.645 20 5 GHBDMO Cc1noc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851832451 877931955 /nfs/dbraw/zinc/93/19/55/877931955.db2.gz CEPQUQFVBVNJPE-GJZGRUSLSA-N 1 1 394.472 3.645 20 5 GHBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000788490222 878099198 /nfs/dbraw/zinc/09/91/98/878099198.db2.gz YZSGTBPLYVPDCG-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000788490222 878099213 /nfs/dbraw/zinc/09/92/13/878099213.db2.gz YZSGTBPLYVPDCG-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cc1 ZINC000776588738 878291073 /nfs/dbraw/zinc/29/10/73/878291073.db2.gz BJHOFGILJHIKSM-PMACEKPBSA-N 1 1 398.484 3.926 20 5 GHBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@H](O)c4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC000776596502 878345856 /nfs/dbraw/zinc/34/58/56/878345856.db2.gz FWQJPVHRNFOETF-JXFKEZNVSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@H]3CCC[N@H+](C[C@H](O)c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000776596502 878345874 /nfs/dbraw/zinc/34/58/74/878345874.db2.gz FWQJPVHRNFOETF-JXFKEZNVSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@H](O)c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000776596502 878345890 /nfs/dbraw/zinc/34/58/90/878345890.db2.gz FWQJPVHRNFOETF-JXFKEZNVSA-N 1 1 380.448 3.693 20 5 GHBDMO O=C(N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000852472235 878348152 /nfs/dbraw/zinc/34/81/52/878348152.db2.gz ASYVKCWYQJJMGZ-WBVHZDCISA-N 1 1 399.413 3.750 20 5 GHBDMO O=C(N1CCC[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000852473194 878351426 /nfs/dbraw/zinc/35/14/26/878351426.db2.gz KCWBCAJXYFVHFU-GDBMZVCRSA-N 1 1 399.413 3.750 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000795678739 912338661 /nfs/dbraw/zinc/33/86/61/912338661.db2.gz FZVSUSIOOUMDBL-KSZLIROESA-N 1 1 379.416 3.728 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852596965 878451689 /nfs/dbraw/zinc/45/16/89/878451689.db2.gz PUICKMZIYMVNEU-QWQRMKEZSA-N 1 1 395.887 3.856 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852596965 878451693 /nfs/dbraw/zinc/45/16/93/878451693.db2.gz PUICKMZIYMVNEU-QWQRMKEZSA-N 1 1 395.887 3.856 20 5 GHBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497031 879063532 /nfs/dbraw/zinc/06/35/32/879063532.db2.gz OHHZYAHQYJXUKO-GOEBONIOSA-N 1 1 381.411 3.828 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000452185226 879099058 /nfs/dbraw/zinc/09/90/58/879099058.db2.gz ZGMLIHZTUYSTTI-MAUKXSAKSA-N 1 1 385.439 3.823 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761534039 879245456 /nfs/dbraw/zinc/24/54/56/879245456.db2.gz YZAJBFFNZLVLCY-JSGCOSHPSA-N 1 1 383.876 3.983 20 5 GHBDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000790123059 879492240 /nfs/dbraw/zinc/49/22/40/879492240.db2.gz FKMLBJVTLDAAKY-UHFFFAOYSA-N 1 1 384.480 3.900 20 5 GHBDMO CCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000265966547 879611112 /nfs/dbraw/zinc/61/11/12/879611112.db2.gz VFVGCLOERKTCOT-KBAYOESNSA-N 1 1 386.452 3.670 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031565838 879702504 /nfs/dbraw/zinc/70/25/04/879702504.db2.gz BFRZERIAQAAZOB-FUHWJXTLSA-N 1 1 399.516 3.856 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000538572988 879745562 /nfs/dbraw/zinc/74/55/62/879745562.db2.gz NBXOPVJUYSJWTI-OAHLLOKOSA-N 1 1 379.526 3.901 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000493937295 879748067 /nfs/dbraw/zinc/74/80/67/879748067.db2.gz OYZHCTKNQVFXJY-CRAIPNDOSA-N 1 1 395.793 3.588 20 5 GHBDMO CCOc1cc(N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000531385224 879753427 /nfs/dbraw/zinc/75/34/27/879753427.db2.gz FNRCGBAFFZUKNV-KKSFZXQISA-N 1 1 385.464 3.695 20 5 GHBDMO CCOc1cc(N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000531385224 879753437 /nfs/dbraw/zinc/75/34/37/879753437.db2.gz FNRCGBAFFZUKNV-KKSFZXQISA-N 1 1 385.464 3.695 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC000494025784 879837054 /nfs/dbraw/zinc/83/70/54/879837054.db2.gz DZXULYGKXGABIG-ZDUSSCGKSA-N 1 1 382.420 3.544 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1F ZINC000854483873 879844932 /nfs/dbraw/zinc/84/49/32/879844932.db2.gz JYMKHJYBTCYEJG-HIFRSBDPSA-N 1 1 389.402 3.574 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494118564 879915678 /nfs/dbraw/zinc/91/56/78/879915678.db2.gz GCLHILIZDAONKK-RTBURBONSA-N 1 1 389.402 3.827 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494118564 879915682 /nfs/dbraw/zinc/91/56/82/879915682.db2.gz GCLHILIZDAONKK-RTBURBONSA-N 1 1 389.402 3.827 20 5 GHBDMO C[N@H+](C[C@@H]1OCCc2ccccc21)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774626838 912527381 /nfs/dbraw/zinc/52/73/81/912527381.db2.gz JYMIDHRXFRKCGU-SFHVURJKSA-N 1 1 386.839 3.801 20 5 GHBDMO C[N@@H+](C[C@@H]1OCCc2ccccc21)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774626838 912527423 /nfs/dbraw/zinc/52/74/23/912527423.db2.gz JYMIDHRXFRKCGU-SFHVURJKSA-N 1 1 386.839 3.801 20 5 GHBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n1)OC2 ZINC000453174828 880541768 /nfs/dbraw/zinc/54/17/68/880541768.db2.gz AVGOXDOEYRZCCO-CZUORRHYSA-N 1 1 398.341 3.589 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774638612 912581142 /nfs/dbraw/zinc/58/11/42/912581142.db2.gz HWMAESIUSNVVMI-KGLIPLIRSA-N 1 1 378.860 3.694 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774638612 912581154 /nfs/dbraw/zinc/58/11/54/912581154.db2.gz HWMAESIUSNVVMI-KGLIPLIRSA-N 1 1 378.860 3.694 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774638610 912581890 /nfs/dbraw/zinc/58/18/90/912581890.db2.gz HWMAESIUSNVVMI-KBPBESRZSA-N 1 1 378.860 3.694 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774638610 912581906 /nfs/dbraw/zinc/58/19/06/912581906.db2.gz HWMAESIUSNVVMI-KBPBESRZSA-N 1 1 378.860 3.694 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2c(Cl)c1 ZINC000774640085 912585543 /nfs/dbraw/zinc/58/55/43/912585543.db2.gz PHULSWASKCBSIE-UGSOOPFHSA-N 1 1 389.887 3.504 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000795710117 912595522 /nfs/dbraw/zinc/59/55/22/912595522.db2.gz KOLIYPLBTHRSJZ-JOCHJYFZSA-N 1 1 391.475 3.500 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000855735026 880706556 /nfs/dbraw/zinc/70/65/56/880706556.db2.gz LBHVIBDHYDIHTP-QGZVFWFLSA-N 1 1 387.867 3.637 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C/C(C)=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000494235357 881314685 /nfs/dbraw/zinc/31/46/85/881314685.db2.gz VZIAZIITGHOHDM-RTYFKUQISA-N 1 1 383.448 3.966 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C/C(C)=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000494235357 881314707 /nfs/dbraw/zinc/31/47/07/881314707.db2.gz VZIAZIITGHOHDM-RTYFKUQISA-N 1 1 383.448 3.966 20 5 GHBDMO CC(C)[N@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350482 883161842 /nfs/dbraw/zinc/16/18/42/883161842.db2.gz SIHMUGZQOVNPRV-UHFFFAOYSA-N 1 1 389.883 3.818 20 5 GHBDMO CC(C)[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350482 883161852 /nfs/dbraw/zinc/16/18/52/883161852.db2.gz SIHMUGZQOVNPRV-UHFFFAOYSA-N 1 1 389.883 3.818 20 5 GHBDMO C[N@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000609449407 883204891 /nfs/dbraw/zinc/20/48/91/883204891.db2.gz QHJVWABSXWEBOE-KRWDZBQOSA-N 1 1 393.365 3.851 20 5 GHBDMO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000609449407 883204906 /nfs/dbraw/zinc/20/49/06/883204906.db2.gz QHJVWABSXWEBOE-KRWDZBQOSA-N 1 1 393.365 3.851 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000127483307 883424485 /nfs/dbraw/zinc/42/44/85/883424485.db2.gz MTNGIIPZUPIJPT-LPHOPBHVSA-N 1 1 396.491 3.762 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000609614067 883455835 /nfs/dbraw/zinc/45/58/35/883455835.db2.gz LSPDGIHTTHRLGO-DLBZAZTESA-N 1 1 389.496 3.548 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCCN(c4ccccc4F)CC3)c2)c1 ZINC000795726180 912715267 /nfs/dbraw/zinc/71/52/67/912715267.db2.gz FRPVXFDKBSMWMF-UHFFFAOYSA-N 1 1 395.438 3.767 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCCN(c4ccccc4F)CC3)c2)c1 ZINC000795726180 912715278 /nfs/dbraw/zinc/71/52/78/912715278.db2.gz FRPVXFDKBSMWMF-UHFFFAOYSA-N 1 1 395.438 3.767 20 5 GHBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCc2ccccc21 ZINC000609770767 883628671 /nfs/dbraw/zinc/62/86/71/883628671.db2.gz BEOHTKUKTUPVEJ-SFHVURJKSA-N 1 1 381.432 3.902 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCS[C@@H](c4ccccc4)C3)n2)cc1 ZINC000609800782 883661552 /nfs/dbraw/zinc/66/15/52/883661552.db2.gz SRMYFKUOHMOERH-QGZVFWFLSA-N 1 1 382.445 3.935 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCS[C@@H](c4ccccc4)C3)n2)cc1 ZINC000609800782 883661560 /nfs/dbraw/zinc/66/15/60/883661560.db2.gz SRMYFKUOHMOERH-QGZVFWFLSA-N 1 1 382.445 3.935 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848934 883727082 /nfs/dbraw/zinc/72/70/82/883727082.db2.gz QHFBJNAOUGVJPJ-DYESRHJHSA-N 1 1 397.475 3.677 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848934 883727092 /nfs/dbraw/zinc/72/70/92/883727092.db2.gz QHFBJNAOUGVJPJ-DYESRHJHSA-N 1 1 397.475 3.677 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000026226292 884204255 /nfs/dbraw/zinc/20/42/55/884204255.db2.gz BDURMZMKQGYBPH-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C[C@H]2C1 ZINC000192541515 884293766 /nfs/dbraw/zinc/29/37/66/884293766.db2.gz KTYXVAGZQYMRJM-IYBDPMFKSA-N 1 1 389.521 3.511 20 5 GHBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000897962402 884529413 /nfs/dbraw/zinc/52/94/13/884529413.db2.gz ZFDNDYRJVMKGME-VIFPVBQESA-N 1 1 378.231 3.502 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001130668301 884806721 /nfs/dbraw/zinc/80/67/21/884806721.db2.gz HDZMFSDBNPIWSW-OKZBNKHCSA-N 1 1 381.476 3.647 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1nccc2ccsc21 ZINC000860780683 884994443 /nfs/dbraw/zinc/99/44/43/884994443.db2.gz NRPAPNZXVGLLSU-INIZCTEOSA-N 1 1 383.429 3.636 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1nccc2ccsc21 ZINC000860780683 884994461 /nfs/dbraw/zinc/99/44/61/884994461.db2.gz NRPAPNZXVGLLSU-INIZCTEOSA-N 1 1 383.429 3.636 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000130579586 885357529 /nfs/dbraw/zinc/35/75/29/885357529.db2.gz XGQXLWTUGNUNKZ-QUCCMNQESA-N 1 1 387.867 3.742 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000130579586 885357550 /nfs/dbraw/zinc/35/75/50/885357550.db2.gz XGQXLWTUGNUNKZ-QUCCMNQESA-N 1 1 387.867 3.742 20 5 GHBDMO CC(C)[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccs1 ZINC000532483593 885810458 /nfs/dbraw/zinc/81/04/58/885810458.db2.gz FJPAKPBOMMYPAG-UHFFFAOYSA-N 1 1 375.450 3.865 20 5 GHBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000919682210 886126934 /nfs/dbraw/zinc/12/69/34/886126934.db2.gz WMMPKJNJIKGZCZ-SFHVURJKSA-N 1 1 391.830 3.954 20 5 GHBDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000532575741 886158514 /nfs/dbraw/zinc/15/85/14/886158514.db2.gz JRSSFCBGBLFPKU-CQSZACIVSA-N 1 1 375.856 3.774 20 5 GHBDMO Cc1c(CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC001131249116 886263948 /nfs/dbraw/zinc/26/39/48/886263948.db2.gz SMWNZAMHMKILME-JOCHJYFZSA-N 1 1 395.503 3.815 20 5 GHBDMO CCC(CC)[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000915307607 886297234 /nfs/dbraw/zinc/29/72/34/886297234.db2.gz MTTUBMRVRUQCDF-QGZVFWFLSA-N 1 1 398.891 3.507 20 5 GHBDMO COc1ccc(CCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000556857168 886388594 /nfs/dbraw/zinc/38/85/94/886388594.db2.gz FWBZJRXYFOGWOQ-FQEVSTJZSA-N 1 1 380.448 3.649 20 5 GHBDMO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000556872843 886432246 /nfs/dbraw/zinc/43/22/46/886432246.db2.gz RNXWDYXQKTXTOZ-GUDVDZBRSA-N 1 1 386.496 3.991 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556873979 886440635 /nfs/dbraw/zinc/44/06/35/886440635.db2.gz YNJXVXXDNIRTEL-NQIIRXRSSA-N 1 1 391.475 3.676 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000808795080 886791810 /nfs/dbraw/zinc/79/18/10/886791810.db2.gz QFVDUTQEVACBLY-IBGZPJMESA-N 1 1 378.831 3.814 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000808795080 886791823 /nfs/dbraw/zinc/79/18/23/886791823.db2.gz QFVDUTQEVACBLY-IBGZPJMESA-N 1 1 378.831 3.814 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000026713133 887758136 /nfs/dbraw/zinc/75/81/36/887758136.db2.gz SKZPTGNHRZVBNE-IBGZPJMESA-N 1 1 382.416 3.630 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758305 887801383 /nfs/dbraw/zinc/80/13/83/887801383.db2.gz IVEIDLRFKOWBHR-UONOGXRCSA-N 1 1 383.286 3.996 20 5 GHBDMO CC1([C@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)OCCO1 ZINC000809975101 888034339 /nfs/dbraw/zinc/03/43/39/888034339.db2.gz WXINMHZQAKKQAE-LBPRGKRZSA-N 1 1 375.252 3.877 20 5 GHBDMO CC1([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)OCCO1 ZINC000809975101 888034346 /nfs/dbraw/zinc/03/43/46/888034346.db2.gz WXINMHZQAKKQAE-LBPRGKRZSA-N 1 1 375.252 3.877 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000301114899 888469719 /nfs/dbraw/zinc/46/97/19/888469719.db2.gz PGSWLLUIYYWTOE-INIZCTEOSA-N 1 1 396.491 3.798 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C(F)F)c1 ZINC000865936007 888655270 /nfs/dbraw/zinc/65/52/70/888655270.db2.gz CGXIBNXWHUVKIN-MRXNPFEDSA-N 1 1 377.391 3.711 20 5 GHBDMO COc1ccccc1[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000032695200 888704785 /nfs/dbraw/zinc/70/47/85/888704785.db2.gz FAWOTWCVZOVKTG-LJQANCHMSA-N 1 1 399.491 3.934 20 5 GHBDMO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796115245 913293334 /nfs/dbraw/zinc/29/33/34/913293334.db2.gz OEUDECSYAQGPNP-QGZVFWFLSA-N 1 1 396.491 3.697 20 5 GHBDMO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796115245 913293351 /nfs/dbraw/zinc/29/33/51/913293351.db2.gz OEUDECSYAQGPNP-QGZVFWFLSA-N 1 1 396.491 3.697 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488134846 889164823 /nfs/dbraw/zinc/16/48/23/889164823.db2.gz OHDPYWXNHINKEN-VBKZILBWSA-N 1 1 397.500 3.959 20 5 GHBDMO CC(C)(C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001132621310 889201187 /nfs/dbraw/zinc/20/11/87/889201187.db2.gz DNHVCYTUILVJKM-QGZVFWFLSA-N 1 1 391.487 3.925 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c1 ZINC000811465807 889627186 /nfs/dbraw/zinc/62/71/86/889627186.db2.gz ILVBXIOCEWEAAU-LJQANCHMSA-N 1 1 383.448 3.785 20 5 GHBDMO CCNC(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000811474751 889661051 /nfs/dbraw/zinc/66/10/51/889661051.db2.gz APCTXRAWVJMCEC-UHFFFAOYSA-N 1 1 382.247 3.941 20 5 GHBDMO C[C@@H](CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000173601436 890009495 /nfs/dbraw/zinc/00/94/95/890009495.db2.gz JYUOXYPFKXAGND-AWEZNQCLSA-N 1 1 375.856 3.889 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000795103191 890266141 /nfs/dbraw/zinc/26/61/41/890266141.db2.gz PMZIBAUMORFKHL-CJNGLKHVSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000795103191 890266156 /nfs/dbraw/zinc/26/61/56/890266156.db2.gz PMZIBAUMORFKHL-CJNGLKHVSA-N 1 1 379.432 3.565 20 5 GHBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cc1SC ZINC000154201950 890270194 /nfs/dbraw/zinc/27/01/94/890270194.db2.gz IBMHTOXYEMQZNC-CQSZACIVSA-N 1 1 395.525 3.566 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154206481 890280115 /nfs/dbraw/zinc/28/01/15/890280115.db2.gz HYLPVGIZWOFFCF-OAQYLSRUSA-N 1 1 398.438 3.722 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000455179717 890478932 /nfs/dbraw/zinc/47/89/32/890478932.db2.gz HXNJSYOXUTYJSF-MRXNPFEDSA-N 1 1 382.464 3.889 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850840 891043216 /nfs/dbraw/zinc/04/32/16/891043216.db2.gz WAVFEMJPVDJQAD-BFUOFWGJSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850840 891043228 /nfs/dbraw/zinc/04/32/28/891043228.db2.gz WAVFEMJPVDJQAD-BFUOFWGJSA-N 1 1 391.855 3.631 20 5 GHBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)cc1 ZINC000872057837 891133785 /nfs/dbraw/zinc/13/37/85/891133785.db2.gz JGSBJHZMWMMQFW-ZDUSSCGKSA-N 1 1 394.518 3.961 20 5 GHBDMO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350316 891232450 /nfs/dbraw/zinc/23/24/50/891232450.db2.gz IKAWIAAOBOVJRB-MRXNPFEDSA-N 1 1 385.464 3.691 20 5 GHBDMO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350316 891232461 /nfs/dbraw/zinc/23/24/61/891232461.db2.gz IKAWIAAOBOVJRB-MRXNPFEDSA-N 1 1 385.464 3.691 20 5 GHBDMO Cc1c(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cnc2ccccc12 ZINC000813170682 891328407 /nfs/dbraw/zinc/32/84/07/891328407.db2.gz JTTIRIOCJWYHEX-SFHVURJKSA-N 1 1 391.427 3.883 20 5 GHBDMO Cc1c(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cnc2ccccc12 ZINC000813170682 891328419 /nfs/dbraw/zinc/32/84/19/891328419.db2.gz JTTIRIOCJWYHEX-SFHVURJKSA-N 1 1 391.427 3.883 20 5 GHBDMO O=C(CCc1cc(F)ccc1F)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171663 891331902 /nfs/dbraw/zinc/33/19/02/891331902.db2.gz PNWHGVLPFCDHAJ-SFHVURJKSA-N 1 1 390.386 3.623 20 5 GHBDMO O=C(CCc1cc(F)ccc1F)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171663 891331919 /nfs/dbraw/zinc/33/19/19/891331919.db2.gz PNWHGVLPFCDHAJ-SFHVURJKSA-N 1 1 390.386 3.623 20 5 GHBDMO Cc1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c2ccccc2n1 ZINC000813171290 891332768 /nfs/dbraw/zinc/33/27/68/891332768.db2.gz HZGJNWVAVQYMQX-SFHVURJKSA-N 1 1 391.427 3.883 20 5 GHBDMO Cc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c2ccccc2n1 ZINC000813171290 891332785 /nfs/dbraw/zinc/33/27/85/891332785.db2.gz HZGJNWVAVQYMQX-SFHVURJKSA-N 1 1 391.427 3.883 20 5 GHBDMO CCSc1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000813174211 891337877 /nfs/dbraw/zinc/33/78/77/891337877.db2.gz SDUPYVZDDZYNMS-KRWDZBQOSA-N 1 1 387.461 3.533 20 5 GHBDMO CCSc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000813174211 891337894 /nfs/dbraw/zinc/33/78/94/891337894.db2.gz SDUPYVZDDZYNMS-KRWDZBQOSA-N 1 1 387.461 3.533 20 5 GHBDMO CCOC(=O)C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)CC1 ZINC001170700478 891398912 /nfs/dbraw/zinc/39/89/12/891398912.db2.gz BRUMCKPBBJZZSN-SHTZXODSSA-N 1 1 375.469 3.507 20 5 GHBDMO CCOC(=O)C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)CC1 ZINC001170700478 891398930 /nfs/dbraw/zinc/39/89/30/891398930.db2.gz BRUMCKPBBJZZSN-SHTZXODSSA-N 1 1 375.469 3.507 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000813300572 891490929 /nfs/dbraw/zinc/49/09/29/891490929.db2.gz ZLLUGIOYEKRIHM-KRWDZBQOSA-N 1 1 385.439 3.766 20 5 GHBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000813492219 891648280 /nfs/dbraw/zinc/64/82/80/891648280.db2.gz KLDQUHQPILUPDU-MEDUHNTESA-N 1 1 398.290 3.991 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813492027 891648594 /nfs/dbraw/zinc/64/85/94/891648594.db2.gz HOTXQUZAZOLDEG-LBPRGKRZSA-N 1 1 388.295 3.999 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000067702011 891710463 /nfs/dbraw/zinc/71/04/63/891710463.db2.gz NSDSVZPFXNSRKE-UHFFFAOYSA-N 1 1 388.786 3.811 20 5 GHBDMO COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000508677408 892179340 /nfs/dbraw/zinc/17/93/40/892179340.db2.gz HADCNGYTRYSQRU-SKTWIKFTSA-N 1 1 382.464 3.726 20 5 GHBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000774823225 913653273 /nfs/dbraw/zinc/65/32/73/913653273.db2.gz QZDYLURAJSNBFK-MRXNPFEDSA-N 1 1 387.392 3.555 20 5 GHBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000774823225 913653279 /nfs/dbraw/zinc/65/32/79/913653279.db2.gz QZDYLURAJSNBFK-MRXNPFEDSA-N 1 1 387.392 3.555 20 5 GHBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000533777668 892939921 /nfs/dbraw/zinc/93/99/21/892939921.db2.gz FSDGRNGFEXKQBS-GASCZTMLSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000498149259 893410082 /nfs/dbraw/zinc/41/00/82/893410082.db2.gz GTFXMQJKQUYSIU-YCRPNKLZSA-N 1 1 397.500 3.616 20 5 GHBDMO C[C@@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000498149259 893410093 /nfs/dbraw/zinc/41/00/93/893410093.db2.gz GTFXMQJKQUYSIU-YCRPNKLZSA-N 1 1 397.500 3.616 20 5 GHBDMO COc1cc(C[NH+]2CC3(C2)CCOCC3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000459619447 893910984 /nfs/dbraw/zinc/91/09/84/893910984.db2.gz MHXMRNHVSJTROC-UHFFFAOYSA-N 1 1 398.459 3.795 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000877984295 893928862 /nfs/dbraw/zinc/92/88/62/893928862.db2.gz FQPMQTKGMJTHPP-MRXNPFEDSA-N 1 1 394.431 3.861 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000459654369 893992469 /nfs/dbraw/zinc/99/24/69/893992469.db2.gz FKQFLEPWIKSVQK-MRXNPFEDSA-N 1 1 388.386 3.784 20 5 GHBDMO CC(C)(C)[N@@H+]1CC[C@](F)(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000563839619 894248155 /nfs/dbraw/zinc/24/81/55/894248155.db2.gz CWOGGZKYTBMIKQ-LJQANCHMSA-N 1 1 387.415 3.719 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@](F)(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000563839619 894248166 /nfs/dbraw/zinc/24/81/66/894248166.db2.gz CWOGGZKYTBMIKQ-LJQANCHMSA-N 1 1 387.415 3.719 20 5 GHBDMO C[C@H](C[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1nccs1 ZINC000878407669 894266419 /nfs/dbraw/zinc/26/64/19/894266419.db2.gz XVAQQNLVUWRRIT-SNVBAGLBSA-N 1 1 393.856 3.990 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1nccs1 ZINC000878407669 894266425 /nfs/dbraw/zinc/26/64/25/894266425.db2.gz XVAQQNLVUWRRIT-SNVBAGLBSA-N 1 1 393.856 3.990 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1)C1CC1 ZINC000537129342 894375080 /nfs/dbraw/zinc/37/50/80/894375080.db2.gz QMDKLSIDETVJSR-UHFFFAOYSA-N 1 1 392.459 3.894 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000935690454 894728857 /nfs/dbraw/zinc/72/88/57/894728857.db2.gz YUANCAXVTOZCRF-UHFFFAOYSA-N 1 1 387.461 3.704 20 5 GHBDMO COc1ccc(CC(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000816455194 894815925 /nfs/dbraw/zinc/81/59/25/894815925.db2.gz OLGTXRCDTSOJCW-OXQOHEQNSA-N 1 1 398.459 3.600 20 5 GHBDMO Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000564520760 895050184 /nfs/dbraw/zinc/05/01/84/895050184.db2.gz HYZOUOXYIVVGEP-IBGZPJMESA-N 1 1 381.476 3.935 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000565449022 895633641 /nfs/dbraw/zinc/63/36/41/895633641.db2.gz KAJXAPNBRYCPJL-UHFFFAOYSA-N 1 1 383.452 3.783 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881277230 896276351 /nfs/dbraw/zinc/27/63/51/896276351.db2.gz DMLJPXWVACTSKW-QRWLVFNGSA-N 1 1 377.448 3.963 20 5 GHBDMO C[C@H](NC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000819066075 896384458 /nfs/dbraw/zinc/38/44/58/896384458.db2.gz SUUPAYIFEAIDPE-UWJYYQICSA-N 1 1 383.492 3.881 20 5 GHBDMO CC[N@H+](c1ccc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000819396977 896621198 /nfs/dbraw/zinc/62/11/98/896621198.db2.gz FXGAUACTZMKJBU-UHFFFAOYSA-N 1 1 391.493 3.715 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000566946371 896725083 /nfs/dbraw/zinc/72/50/83/896725083.db2.gz AUVHZAHCGYCVJR-INIZCTEOSA-N 1 1 385.464 3.574 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000566946371 896725094 /nfs/dbraw/zinc/72/50/94/896725094.db2.gz AUVHZAHCGYCVJR-INIZCTEOSA-N 1 1 385.464 3.574 20 5 GHBDMO C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000567137873 896904835 /nfs/dbraw/zinc/90/48/35/896904835.db2.gz YNGDILSOIZGUGL-FOIQADDNSA-N 1 1 399.466 3.791 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)c2)c1 ZINC000819902166 897044639 /nfs/dbraw/zinc/04/46/39/897044639.db2.gz MTQSVOOLAYQZFC-FQEVSTJZSA-N 1 1 382.464 3.697 20 5 GHBDMO CCc1nn(C)c(Cl)c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130723496 897201735 /nfs/dbraw/zinc/20/17/35/897201735.db2.gz VZVPXVBOXJICTQ-UHFFFAOYSA-N 1 1 378.860 3.588 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289427641 914180923 /nfs/dbraw/zinc/18/09/23/914180923.db2.gz VHJUVMNSYVTPFG-CQSZACIVSA-N 1 1 377.404 3.890 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289427641 914180929 /nfs/dbraw/zinc/18/09/29/914180929.db2.gz VHJUVMNSYVTPFG-CQSZACIVSA-N 1 1 377.404 3.890 20 5 GHBDMO Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000110383960 898697100 /nfs/dbraw/zinc/69/71/00/898697100.db2.gz LGYFAQQPCFAYLD-YQQQUEKLSA-N 1 1 379.460 3.829 20 5 GHBDMO CCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000823980013 899340818 /nfs/dbraw/zinc/34/08/18/899340818.db2.gz HJAJTQKZTVTASX-YJBOKZPZSA-N 1 1 397.479 3.866 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC001186203808 914359873 /nfs/dbraw/zinc/35/98/73/914359873.db2.gz UGYNNWJHLWFXKU-HXUWFJFHSA-N 1 1 383.448 3.704 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4nnc5n4CCC5)C3)o2)cc1 ZINC000119835400 899692034 /nfs/dbraw/zinc/69/20/34/899692034.db2.gz SYDXZYQGXKABMT-INIZCTEOSA-N 1 1 393.447 3.772 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000572144261 900077961 /nfs/dbraw/zinc/07/79/61/900077961.db2.gz DYYVELWQHXKNAC-UHFFFAOYSA-N 1 1 399.369 3.801 20 5 GHBDMO O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885983824 900666539 /nfs/dbraw/zinc/66/65/39/900666539.db2.gz QMIYUVDEZFPPQM-KRWDZBQOSA-N 1 1 386.839 3.591 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000574125740 900785995 /nfs/dbraw/zinc/78/59/95/900785995.db2.gz NVBLAWVVAOWDLK-UHFFFAOYSA-N 1 1 376.379 3.553 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000844442192 900862921 /nfs/dbraw/zinc/86/29/21/900862921.db2.gz WTSVASCWWRQZHY-INIZCTEOSA-N 1 1 392.349 3.869 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000844442192 900862929 /nfs/dbraw/zinc/86/29/29/900862929.db2.gz WTSVASCWWRQZHY-INIZCTEOSA-N 1 1 392.349 3.869 20 5 GHBDMO C[N@@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001144024071 900945766 /nfs/dbraw/zinc/94/57/66/900945766.db2.gz GKABMJOOUJVZCF-HNNXBMFYSA-N 1 1 385.917 3.529 20 5 GHBDMO C[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001144024071 900945769 /nfs/dbraw/zinc/94/57/69/900945769.db2.gz GKABMJOOUJVZCF-HNNXBMFYSA-N 1 1 385.917 3.529 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3ncccn3)C2)c1Br ZINC000886688445 901228484 /nfs/dbraw/zinc/22/84/84/901228484.db2.gz RPMXBYNVIWYHTE-ZDUSSCGKSA-N 1 1 377.242 3.527 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](c3ncccn3)C2)c1Br ZINC000886688445 901228489 /nfs/dbraw/zinc/22/84/89/901228489.db2.gz RPMXBYNVIWYHTE-ZDUSSCGKSA-N 1 1 377.242 3.527 20 5 GHBDMO CC(C)[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000158492445 901607762 /nfs/dbraw/zinc/60/77/62/901607762.db2.gz VKIMDUZDICAEJB-VQHVLOKHSA-N 1 1 378.432 3.755 20 5 GHBDMO CC(C)[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000158492445 901607767 /nfs/dbraw/zinc/60/77/67/901607767.db2.gz VKIMDUZDICAEJB-VQHVLOKHSA-N 1 1 378.432 3.755 20 5 GHBDMO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000576081607 901660629 /nfs/dbraw/zinc/66/06/29/901660629.db2.gz VWAACWQSPXBDBG-HXUWFJFHSA-N 1 1 396.491 3.696 20 5 GHBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])C2)C1 ZINC000576489789 902050498 /nfs/dbraw/zinc/05/04/98/902050498.db2.gz OXDNZWJQAPHSEN-OAQYLSRUSA-N 1 1 397.500 3.914 20 5 GHBDMO COc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)cc1[N+](=O)[O-] ZINC000124783892 902116776 /nfs/dbraw/zinc/11/67/76/902116776.db2.gz KMYLKXHIYJACLP-UHFFFAOYSA-N 1 1 378.375 3.677 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778971047 902363183 /nfs/dbraw/zinc/36/31/83/902363183.db2.gz ANRRGEVDQCAAGL-JSGCOSHPSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778971047 902363192 /nfs/dbraw/zinc/36/31/92/902363192.db2.gz ANRRGEVDQCAAGL-JSGCOSHPSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778982582 902462195 /nfs/dbraw/zinc/46/21/95/902462195.db2.gz USPOKBLKAWCUDH-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778982582 902462199 /nfs/dbraw/zinc/46/21/99/902462199.db2.gz USPOKBLKAWCUDH-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000778984892 902556331 /nfs/dbraw/zinc/55/63/31/902556331.db2.gz FCEBNBWJMQCCGW-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000778984892 902556345 /nfs/dbraw/zinc/55/63/45/902556345.db2.gz FCEBNBWJMQCCGW-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO COc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000132555277 903275129 /nfs/dbraw/zinc/27/51/29/903275129.db2.gz HIXBLWYLXCWIRY-LPHOPBHVSA-N 1 1 397.475 3.729 20 5 GHBDMO O=C(CC1CCCC1)NC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601116298 903350897 /nfs/dbraw/zinc/35/08/97/903350897.db2.gz PZFOYPGRBDBFNC-UHFFFAOYSA-N 1 1 382.464 3.808 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000578396740 903800279 /nfs/dbraw/zinc/80/02/79/903800279.db2.gz KQJAWCNFXZBLIX-WIYYLYMNSA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000578396740 903800288 /nfs/dbraw/zinc/80/02/88/903800288.db2.gz KQJAWCNFXZBLIX-WIYYLYMNSA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])cc1 ZINC000303439933 914769109 /nfs/dbraw/zinc/76/91/09/914769109.db2.gz BUGFQEVWSFMTCB-OAHLLOKOSA-N 1 1 385.489 3.736 20 5 GHBDMO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000159957331 904400305 /nfs/dbraw/zinc/40/03/05/904400305.db2.gz QYGVTSPRYDKXPG-JXFKEZNVSA-N 1 1 385.464 3.594 20 5 GHBDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000159957331 904400316 /nfs/dbraw/zinc/40/03/16/904400316.db2.gz QYGVTSPRYDKXPG-JXFKEZNVSA-N 1 1 385.464 3.594 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000773274599 904657993 /nfs/dbraw/zinc/65/79/93/904657993.db2.gz NZYSBZNVMXOXFU-SQFISAMPSA-N 1 1 381.432 3.772 20 5 GHBDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001171489616 904734089 /nfs/dbraw/zinc/73/40/89/904734089.db2.gz JYNPZMKRSVOBRU-DYESRHJHSA-N 1 1 388.439 3.571 20 5 GHBDMO O=C(C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)NCc1ccc(F)cc1 ZINC001171545827 904774369 /nfs/dbraw/zinc/77/43/69/904774369.db2.gz XXBIMTKSRNCANF-IBGZPJMESA-N 1 1 399.466 3.695 20 5 GHBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC[C@H]21 ZINC001171813855 905073414 /nfs/dbraw/zinc/07/34/14/905073414.db2.gz CZJCZQQQUJMPKW-KBXCAEBGSA-N 1 1 389.521 3.796 20 5 GHBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC[C@@H]21 ZINC001171815456 905074776 /nfs/dbraw/zinc/07/47/76/905074776.db2.gz WNZFWGOCNFMBMV-KXBFYZLASA-N 1 1 381.432 3.553 20 5 GHBDMO CC(C)OCc1nc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000290930705 914874359 /nfs/dbraw/zinc/87/43/59/914874359.db2.gz OWXXWVVSWWVWPD-ZOBUZTSGSA-N 1 1 388.468 3.965 20 5 GHBDMO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801550765 921124433 /nfs/dbraw/zinc/12/44/33/921124433.db2.gz HYDKGCWQNVJHFJ-HNNXBMFYSA-N 1 1 380.423 3.993 20 5 GHBDMO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801550765 921124440 /nfs/dbraw/zinc/12/44/40/921124440.db2.gz HYDKGCWQNVJHFJ-HNNXBMFYSA-N 1 1 380.423 3.993 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000801574832 921144765 /nfs/dbraw/zinc/14/47/65/921144765.db2.gz YREQIZJUYQBRLY-SFHVURJKSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000801574832 921144771 /nfs/dbraw/zinc/14/47/71/921144771.db2.gz YREQIZJUYQBRLY-SFHVURJKSA-N 1 1 383.876 3.985 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176234082 905789596 /nfs/dbraw/zinc/78/95/96/905789596.db2.gz DXARGYPQAFMJKS-MRXNPFEDSA-N 1 1 387.867 3.543 20 5 GHBDMO COc1cccc(C2(N)CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)c1 ZINC001172900083 905921480 /nfs/dbraw/zinc/92/14/80/905921480.db2.gz BVXFYQSWKFJORP-HXUWFJFHSA-N 1 1 395.503 3.801 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H]3C[C@H]1CN3Cc1ccccc1)CC2 ZINC001172914587 905986573 /nfs/dbraw/zinc/98/65/73/905986573.db2.gz IADQINPELKAPMM-PUHATCMVSA-N 1 1 377.488 3.801 20 5 GHBDMO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921331 905993184 /nfs/dbraw/zinc/99/31/84/905993184.db2.gz OSKIBMGWPDMDON-FPOVZHCZSA-N 1 1 382.460 3.558 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H]3CN(c4ccccc4)C[C@H]3C1)CC2 ZINC001172911440 906018069 /nfs/dbraw/zinc/01/80/69/906018069.db2.gz BXWVUUBNIFHCKN-VWPQPMDRSA-N 1 1 377.488 3.910 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCOC[C@@H]2C2CCCCC2)c1F ZINC001173194006 906279627 /nfs/dbraw/zinc/27/96/27/906279627.db2.gz WJDVCGFMMCMZKN-KBXCAEBGSA-N 1 1 380.460 3.955 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCOC[C@@H]2C2CCCCC2)c1F ZINC001173194006 906279640 /nfs/dbraw/zinc/27/96/40/906279640.db2.gz WJDVCGFMMCMZKN-KBXCAEBGSA-N 1 1 380.460 3.955 20 5 GHBDMO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)O1 ZINC001173223872 906305004 /nfs/dbraw/zinc/30/50/04/906305004.db2.gz DOUCGCLEGRYVGB-QYRPDUKASA-N 1 1 376.497 3.820 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173225351 906307761 /nfs/dbraw/zinc/30/77/61/906307761.db2.gz JJCWZJXUPXFFDW-SJORKVTESA-N 1 1 385.512 3.639 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001173231087 906316237 /nfs/dbraw/zinc/31/62/37/906316237.db2.gz JNBOEMUZXHFWJY-NVXWUHKLSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001173234224 906320695 /nfs/dbraw/zinc/32/06/95/906320695.db2.gz PZCWIASSNYWWDE-RDJZCZTQSA-N 1 1 377.485 3.905 20 5 GHBDMO Cc1ccc(N2CCC(NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)[nH+]c1 ZINC000191322216 906870891 /nfs/dbraw/zinc/87/08/91/906870891.db2.gz QXZIRZXHCZNZPH-UHFFFAOYSA-N 1 1 383.452 3.706 20 5 GHBDMO COC[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000181699522 907057661 /nfs/dbraw/zinc/05/76/61/907057661.db2.gz JTSLYXHVNVYFPY-CQSZACIVSA-N 1 1 382.363 3.682 20 5 GHBDMO C[C@@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000773440372 907358163 /nfs/dbraw/zinc/35/81/63/907358163.db2.gz KEHHHVGLWVJOAF-TUAOUCFPSA-N 1 1 385.258 3.662 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)CCCO)cc1 ZINC001175121822 907390938 /nfs/dbraw/zinc/39/09/38/907390938.db2.gz XMEHDIMMTXPIIY-OAHLLOKOSA-N 1 1 376.428 3.906 20 5 GHBDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001175907375 907821599 /nfs/dbraw/zinc/82/15/99/907821599.db2.gz OAUDSHOOFUWMIN-OAQYLSRUSA-N 1 1 387.455 3.882 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1OC ZINC001176071402 907900889 /nfs/dbraw/zinc/90/08/89/907900889.db2.gz XXGLUSPOGAMPAK-BPQIPLTHSA-N 1 1 391.512 3.697 20 5 GHBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000193668662 908614585 /nfs/dbraw/zinc/61/45/85/908614585.db2.gz CTGGJKUVXAHGCG-INIZCTEOSA-N 1 1 398.246 3.817 20 5 GHBDMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001177588501 908653342 /nfs/dbraw/zinc/65/33/42/908653342.db2.gz ZGMLIHZTUYSTTI-QAPCUYQASA-N 1 1 385.439 3.823 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)Cc1cc(C)ccn1 ZINC001178268449 908974426 /nfs/dbraw/zinc/97/44/26/908974426.db2.gz CHUUBSNZVLHTPH-UHFFFAOYSA-N 1 1 386.455 3.841 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H]3/C=C\c3ccccc3)n2)cc1 ZINC000779890408 909062154 /nfs/dbraw/zinc/06/21/54/909062154.db2.gz WMYNGKYLKSFBRN-SCEWNMGZSA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@@H]3/C=C\c3ccccc3)n2)cc1 ZINC000779890408 909062170 /nfs/dbraw/zinc/06/21/70/909062170.db2.gz WMYNGKYLKSFBRN-SCEWNMGZSA-N 1 1 375.432 3.989 20 5 GHBDMO COc1ccc(CNc2[nH]c3cc(Br)c(F)cc3[nH+]2)cc1[N+](=O)[O-] ZINC001179768150 909695800 /nfs/dbraw/zinc/69/58/00/909695800.db2.gz LJLLBZFVAMFAJL-UHFFFAOYSA-N 1 1 395.188 3.993 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 ZINC000801821281 921524016 /nfs/dbraw/zinc/52/40/16/921524016.db2.gz RZTJJKHXDFJFSR-ZDUSSCGKSA-N 1 1 386.427 3.943 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246094113 910095269 /nfs/dbraw/zinc/09/52/69/910095269.db2.gz LHNCAAVMTQRATC-YJBOKZPZSA-N 1 1 385.439 3.825 20 5 GHBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000246334626 910239001 /nfs/dbraw/zinc/23/90/01/910239001.db2.gz TVOCJVLMSIEYFU-BZSNNMDCSA-N 1 1 397.258 3.525 20 5 GHBDMO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+](C1CC1)C1CCCC1 ZINC000795409317 910252376 /nfs/dbraw/zinc/25/23/76/910252376.db2.gz RPLLIDXWAFQASZ-UHFFFAOYSA-N 1 1 394.269 3.678 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C2CCOCC2)n1 ZINC001181880162 911057682 /nfs/dbraw/zinc/05/76/82/911057682.db2.gz NWNQJDWZXVDJJI-GOSISDBHSA-N 1 1 384.480 3.602 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000092072734 911389335 /nfs/dbraw/zinc/38/93/35/911389335.db2.gz MVAAEUBGUNTDFD-CQSZACIVSA-N 1 1 382.420 3.966 20 5 GHBDMO COCC[NH+]1CCN(C(=O)CCc2c3ccccc3cc3ccccc32)CC1 ZINC001182415687 911628790 /nfs/dbraw/zinc/62/87/90/911628790.db2.gz JBPAECBESBSAEA-UHFFFAOYSA-N 1 1 376.500 3.716 20 5 GHBDMO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000284780801 912029074 /nfs/dbraw/zinc/02/90/74/912029074.db2.gz LKUJINSGKPNJJU-ROKPMTFOSA-N 1 1 393.483 3.698 20 5 GHBDMO Cc1cc(N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC001186922921 914902830 /nfs/dbraw/zinc/90/28/30/914902830.db2.gz SGTODLVHNLITAZ-RTWAWAEBSA-N 1 1 385.439 3.522 20 5 GHBDMO C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000303799989 915114029 /nfs/dbraw/zinc/11/40/29/915114029.db2.gz WOYQJRUDRUPJIZ-ICSRJNTNSA-N 1 1 383.492 3.959 20 5 GHBDMO C[C@H]1C[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303799989 915114034 /nfs/dbraw/zinc/11/40/34/915114034.db2.gz WOYQJRUDRUPJIZ-ICSRJNTNSA-N 1 1 383.492 3.959 20 5 GHBDMO C[C@H]1C[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303799989 915114043 /nfs/dbraw/zinc/11/40/43/915114043.db2.gz WOYQJRUDRUPJIZ-ICSRJNTNSA-N 1 1 383.492 3.959 20 5 GHBDMO CCOc1cc(N2CCC[N@@H+](Cc3ccccc3)CCOCC2)ccc1[N+](=O)[O-] ZINC001187732050 915454898 /nfs/dbraw/zinc/45/48/98/915454898.db2.gz CFQCIFPOUQSHLT-UHFFFAOYSA-N 1 1 399.491 3.722 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1)CC(F)(F)F ZINC001191463599 918029365 /nfs/dbraw/zinc/02/93/65/918029365.db2.gz FEZPBRYWFVJILZ-HNNXBMFYSA-N 1 1 389.418 3.570 20 5 GHBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117342114 919538573 /nfs/dbraw/zinc/53/85/73/919538573.db2.gz WJUFHCNJGQZWJB-DOTOQJQBSA-N 1 1 381.432 3.771 20 5 GHBDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000298744098 920876634 /nfs/dbraw/zinc/87/66/34/920876634.db2.gz SBOHLYOKYQEJGQ-GOSISDBHSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000298744098 920876645 /nfs/dbraw/zinc/87/66/45/920876645.db2.gz SBOHLYOKYQEJGQ-GOSISDBHSA-N 1 1 380.404 3.991 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H](c4nc(C5CC5)no4)C3)cs2)c1 ZINC000367477808 922130512 /nfs/dbraw/zinc/13/05/12/922130512.db2.gz UKICUIZZWKZOKJ-AWEZNQCLSA-N 1 1 397.460 3.968 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@H](c4nc(C5CC5)no4)C3)cs2)c1 ZINC000367477808 922130516 /nfs/dbraw/zinc/13/05/16/922130516.db2.gz UKICUIZZWKZOKJ-AWEZNQCLSA-N 1 1 397.460 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)o2)cc1 ZINC000368095901 922470134 /nfs/dbraw/zinc/47/01/34/922470134.db2.gz UJYWHQTWAANHIC-OAQYLSRUSA-N 1 1 392.415 3.615 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)o2)cc1 ZINC000368095901 922470145 /nfs/dbraw/zinc/47/01/45/922470145.db2.gz UJYWHQTWAANHIC-OAQYLSRUSA-N 1 1 392.415 3.615 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368626361 922780636 /nfs/dbraw/zinc/78/06/36/922780636.db2.gz SPMGEOSXMOHSCJ-UKRRQHHQSA-N 1 1 388.855 3.535 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368626361 922780640 /nfs/dbraw/zinc/78/06/40/922780640.db2.gz SPMGEOSXMOHSCJ-UKRRQHHQSA-N 1 1 388.855 3.535 20 5 GHBDMO COc1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000411124305 926091195 /nfs/dbraw/zinc/09/11/95/926091195.db2.gz GYFVNWWRDVRUNV-IBGZPJMESA-N 1 1 399.447 3.778 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000411121199 926094353 /nfs/dbraw/zinc/09/43/53/926094353.db2.gz UABWCBMZHJWAEP-UHFFFAOYSA-N 1 1 387.411 3.736 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000411177927 926179252 /nfs/dbraw/zinc/17/92/52/926179252.db2.gz IONMYXHYPSIVSH-UHFFFAOYSA-N 1 1 387.411 3.736 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c2c(c1)COCO2 ZINC000726972394 926966340 /nfs/dbraw/zinc/96/63/40/926966340.db2.gz AOHFQDMBXVSYQD-VQTJNVASSA-N 1 1 384.432 3.549 20 5 GHBDMO COc1ccc(OCC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c([N+](=O)[O-])c1 ZINC000749528923 927168602 /nfs/dbraw/zinc/16/86/02/927168602.db2.gz OPBSMUNLKUGSEU-UHFFFAOYSA-N 1 1 387.392 3.555 20 5 GHBDMO COc1ccc(OCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c([N+](=O)[O-])c1 ZINC000749528923 927168624 /nfs/dbraw/zinc/16/86/24/927168624.db2.gz OPBSMUNLKUGSEU-UHFFFAOYSA-N 1 1 387.392 3.555 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000412214670 927216331 /nfs/dbraw/zinc/21/63/31/927216331.db2.gz GODKOLQAZSXTHL-YLJYHZDGSA-N 1 1 383.448 3.557 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 ZINC000751113636 928035704 /nfs/dbraw/zinc/03/57/04/928035704.db2.gz YFCTZTIORFRFHL-AWEZNQCLSA-N 1 1 393.447 3.646 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000544070450 928765480 /nfs/dbraw/zinc/76/54/80/928765480.db2.gz ZZHMQGSIHXQDFC-IAGOWNOFSA-N 1 1 376.840 3.825 20 5 GHBDMO Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C2CCCCC2)n1 ZINC000753527665 929390704 /nfs/dbraw/zinc/39/07/04/929390704.db2.gz QCEZOTRQTVESFS-UHFFFAOYSA-N 1 1 383.496 3.698 20 5 GHBDMO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1c(F)cccc1F ZINC000753922281 929593035 /nfs/dbraw/zinc/59/30/35/929593035.db2.gz ZUDCNTNDSHLLFP-UHFFFAOYSA-N 1 1 381.354 3.863 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1c(F)cccc1F ZINC000753922281 929593042 /nfs/dbraw/zinc/59/30/42/929593042.db2.gz ZUDCNTNDSHLLFP-UHFFFAOYSA-N 1 1 381.354 3.863 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107697 929645998 /nfs/dbraw/zinc/64/59/98/929645998.db2.gz VDUDQMZHPOEAEK-YOEHRIQHSA-N 1 1 393.484 3.729 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000758413284 930037903 /nfs/dbraw/zinc/03/79/03/930037903.db2.gz WAIRSTHRWZZKSU-UHFFFAOYSA-N 1 1 385.439 3.699 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000470174089 930430393 /nfs/dbraw/zinc/43/03/93/930430393.db2.gz QBPKGORXQXEPML-XSVZSIDJSA-N 1 1 377.448 3.920 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000470175782 930433641 /nfs/dbraw/zinc/43/36/41/930433641.db2.gz SHUFYZHXQKNQMA-SAPNQHFASA-N 1 1 397.450 3.985 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000470175782 930433644 /nfs/dbraw/zinc/43/36/44/930433644.db2.gz SHUFYZHXQKNQMA-SAPNQHFASA-N 1 1 397.450 3.985 20 5 GHBDMO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470675431 930814287 /nfs/dbraw/zinc/81/42/87/930814287.db2.gz ZKABCHYTSSEURG-LJQANCHMSA-N 1 1 396.491 3.520 20 5 GHBDMO C[N@@H+](CCOc1ccccc1Cl)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782469226 931232663 /nfs/dbraw/zinc/23/26/63/931232663.db2.gz DSOAHVAWEBCDLI-UHFFFAOYSA-N 1 1 395.818 3.727 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000782487868 931240694 /nfs/dbraw/zinc/24/06/94/931240694.db2.gz NKAANUACTAEAJT-MLGOLLRUSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000782487868 931240698 /nfs/dbraw/zinc/24/06/98/931240698.db2.gz NKAANUACTAEAJT-MLGOLLRUSA-N 1 1 383.876 3.983 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000782511609 931248509 /nfs/dbraw/zinc/24/85/09/931248509.db2.gz BKHXSUPJSUBUNO-AEFFLSMTSA-N 1 1 375.469 3.611 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000557363941 931378360 /nfs/dbraw/zinc/37/83/60/931378360.db2.gz PQRWIJNZCSMEJG-IBGZPJMESA-N 1 1 399.466 3.647 20 5 GHBDMO Cc1cccc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c1[N+](=O)[O-] ZINC000557458498 931442474 /nfs/dbraw/zinc/44/24/74/931442474.db2.gz VFIPVPCAOGLBBA-SFHVURJKSA-N 1 1 379.416 3.757 20 5 GHBDMO CCC[N@@H+](C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000557681931 931609870 /nfs/dbraw/zinc/60/98/70/931609870.db2.gz PCICDYXXKZIBBH-KRWDZBQOSA-N 1 1 390.871 3.842 20 5 GHBDMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000784008483 931753315 /nfs/dbraw/zinc/75/33/15/931753315.db2.gz IIKVKALLYGNSKC-LEWJYISDSA-N 1 1 378.432 3.988 20 5 GHBDMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000784008483 931753320 /nfs/dbraw/zinc/75/33/20/931753320.db2.gz IIKVKALLYGNSKC-LEWJYISDSA-N 1 1 378.432 3.988 20 5 GHBDMO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000558167460 931868792 /nfs/dbraw/zinc/86/87/92/931868792.db2.gz SRTQZPIHJCKACA-GOSISDBHSA-N 1 1 387.436 3.634 20 5 GHBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000558167460 931868800 /nfs/dbraw/zinc/86/88/00/931868800.db2.gz SRTQZPIHJCKACA-GOSISDBHSA-N 1 1 387.436 3.634 20 5 GHBDMO COc1c(C(=O)O[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000796825587 932080799 /nfs/dbraw/zinc/08/07/99/932080799.db2.gz IMXVRCMESGYWAQ-NVXWUHKLSA-N 1 1 384.432 3.671 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1 ZINC000926903823 932342354 /nfs/dbraw/zinc/34/23/54/932342354.db2.gz AFCKMPYRIFEYRS-BZUAXINKSA-N 1 1 398.385 3.507 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559295010 932582567 /nfs/dbraw/zinc/58/25/67/932582567.db2.gz UAHHWKMHIIACJU-UHFFFAOYSA-N 1 1 387.402 3.950 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000559551098 932729589 /nfs/dbraw/zinc/72/95/89/932729589.db2.gz DDSNDNANEFBCFO-UHFFFAOYSA-N 1 1 398.301 3.612 20 5 GHBDMO C[NH+](C)Cc1cc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)ccc1Cl ZINC000799057116 932865750 /nfs/dbraw/zinc/86/57/50/932865750.db2.gz NIJBKBLVPKYCPB-UHFFFAOYSA-N 1 1 391.840 3.567 20 5 GHBDMO C[N@H+](CCCOCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000799200870 932912275 /nfs/dbraw/zinc/91/22/75/932912275.db2.gz NWDKGUCSHGIFNM-UHFFFAOYSA-N 1 1 391.855 3.725 20 5 GHBDMO C[N@@H+](CCCOCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000799200870 932912280 /nfs/dbraw/zinc/91/22/80/932912280.db2.gz NWDKGUCSHGIFNM-UHFFFAOYSA-N 1 1 391.855 3.725 20 5 GHBDMO COc1ccc(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000799225861 932924268 /nfs/dbraw/zinc/92/42/68/932924268.db2.gz QLVKKTXQRRWTPN-NRFANRHFSA-N 1 1 398.463 3.637 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531766 933316964 /nfs/dbraw/zinc/31/69/64/933316964.db2.gz LQFPDNIWBHPQCX-PXNSSMCTSA-N 1 1 385.512 3.519 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC001118591138 934204701 /nfs/dbraw/zinc/20/47/01/934204701.db2.gz HNJFZYHNZUVPHF-PXAZEXFGSA-N 1 1 387.871 3.645 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931914694 934763884 /nfs/dbraw/zinc/76/38/84/934763884.db2.gz RGUBYLBFFUYBSS-OAHLLOKOSA-N 1 1 389.349 3.598 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000830401021 935940713 /nfs/dbraw/zinc/94/07/13/935940713.db2.gz FKVGJLQBSIKIOY-UWJYYQICSA-N 1 1 397.450 3.861 20 5 GHBDMO COc1cc([C@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O ZINC001460977671 1069312545 /nfs/dbraw/zinc/31/25/45/1069312545.db2.gz WMNIOEZSWPQXAB-NSHDSACASA-N 1 1 398.868 3.511 20 5 GHBDMO CC[N@H+]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001625950868 1014522466 /nfs/dbraw/zinc/52/24/66/1014522466.db2.gz LRSMGORTSQECDW-QGZVFWFLSA-N 1 1 396.491 3.763 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000469760918 1016616237 /nfs/dbraw/zinc/61/62/37/1016616237.db2.gz ORQITFLWOYZRIW-OEWRPIJISA-N 1 1 383.492 3.720 20 5 GHBDMO Cc1ccc(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC001220883230 1032173071 /nfs/dbraw/zinc/17/30/71/1032173071.db2.gz KLODNCKGPDKOOP-UHFFFAOYSA-N 1 1 384.480 3.743 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC001227043576 1032248700 /nfs/dbraw/zinc/24/87/00/1032248700.db2.gz GHOHDJXWMSFLGL-HNNXBMFYSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC001227043576 1032248712 /nfs/dbraw/zinc/24/87/12/1032248712.db2.gz GHOHDJXWMSFLGL-HNNXBMFYSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001227296848 1032360194 /nfs/dbraw/zinc/36/01/94/1032360194.db2.gz BESGBUUVENKKGO-DNVCBOLYSA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000246264187 1021050278 /nfs/dbraw/zinc/05/02/78/1021050278.db2.gz LNDVKEYUFNOYAG-NQSCKRDGSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000246264187 1021050290 /nfs/dbraw/zinc/05/02/90/1021050290.db2.gz LNDVKEYUFNOYAG-NQSCKRDGSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000246264187 1021050294 /nfs/dbraw/zinc/05/02/94/1021050294.db2.gz LNDVKEYUFNOYAG-NQSCKRDGSA-N 1 1 383.492 3.613 20 5 GHBDMO COC(=O)c1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC001228772091 1033088926 /nfs/dbraw/zinc/08/89/26/1033088926.db2.gz UJQAGHVJYQMOOD-RMFSNUHRSA-N 1 1 396.443 3.956 20 5 GHBDMO C[C@H](NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000836442515 1022976549 /nfs/dbraw/zinc/97/65/49/1022976549.db2.gz KKMPHRKHTIDIPM-JTSKRJEESA-N 1 1 396.491 3.867 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000755879414 1023417034 /nfs/dbraw/zinc/41/70/34/1023417034.db2.gz MCVYNLPXIRROKX-NVXWUHKLSA-N 1 1 384.432 3.671 20 5 GHBDMO O=C1O[C@@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CN1c1ccccc1 ZINC000831539197 1024626951 /nfs/dbraw/zinc/62/69/51/1024626951.db2.gz OPMRZILBLNIGBZ-XLIONFOSSA-N 1 1 381.432 3.800 20 5 GHBDMO COC(=O)c1ccc2c(c1)[C@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)CCC2 ZINC001161931738 1025501304 /nfs/dbraw/zinc/50/13/04/1025501304.db2.gz IHCFVAVNEDIYBD-QZEKMECESA-N 1 1 396.447 3.798 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c([N+](=O)[O-])c1 ZINC000839074337 1025569265 /nfs/dbraw/zinc/56/92/65/1025569265.db2.gz OMQZULISMGJGNT-LJQANCHMSA-N 1 1 385.420 3.887 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839151526 1025649451 /nfs/dbraw/zinc/64/94/51/1025649451.db2.gz DSVQOEIMRFVFPH-FQEVSTJZSA-N 1 1 392.402 3.827 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001162355747 1025724341 /nfs/dbraw/zinc/72/43/41/1025724341.db2.gz JEBXBPNAEMGDOL-LBPRGKRZSA-N 1 1 383.876 3.957 20 5 GHBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001163572138 1026240137 /nfs/dbraw/zinc/24/01/37/1026240137.db2.gz UIUXRCMPVAJCAN-ZWKOTPCHSA-N 1 1 382.464 3.568 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001163968711 1026374482 /nfs/dbraw/zinc/37/44/82/1026374482.db2.gz SXTLMGGJVFMKSB-QGZVFWFLSA-N 1 1 383.448 3.685 20 5 GHBDMO O=[N+]([O-])c1cnc2cccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)n21 ZINC001164498764 1026534672 /nfs/dbraw/zinc/53/46/72/1026534672.db2.gz GXQXOCQJKGUYNS-KZNAEPCWSA-N 1 1 377.448 3.565 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1 ZINC001165202898 1026665175 /nfs/dbraw/zinc/66/51/75/1026665175.db2.gz QDWNOSZEYJCJBD-QAZIKRLUSA-N 1 1 395.507 3.621 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)c2c1 ZINC000840160331 1027295047 /nfs/dbraw/zinc/29/50/47/1027295047.db2.gz BWYJYTTXXRWJHT-INIZCTEOSA-N 1 1 398.385 3.583 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)c2c1 ZINC000840160331 1027295063 /nfs/dbraw/zinc/29/50/63/1027295063.db2.gz BWYJYTTXXRWJHT-INIZCTEOSA-N 1 1 398.385 3.583 20 5 GHBDMO COc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])cc1O ZINC001461228705 1069451762 /nfs/dbraw/zinc/45/17/62/1069451762.db2.gz DWLLITWGRBJELT-ORAYPTAESA-N 1 1 391.493 3.543 20 5 GHBDMO C[NH+]1CCC(COc2cccc(F)c2Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC001210399051 1027490338 /nfs/dbraw/zinc/49/03/38/1027490338.db2.gz MIGJFWQTLQZSFE-UHFFFAOYSA-N 1 1 375.400 3.904 20 5 GHBDMO O=[N+]([O-])c1ncccc1-c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001213171995 1028026149 /nfs/dbraw/zinc/02/61/49/1028026149.db2.gz KRJCYFOHMSIWPR-MRXNPFEDSA-N 1 1 392.350 3.578 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000842832210 1029617870 /nfs/dbraw/zinc/61/78/70/1029617870.db2.gz AVWNBGOJIYXFCI-AWEZNQCLSA-N 1 1 389.477 3.996 20 5 GHBDMO CC[NH2+]Cc1noc(-c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n1 ZINC000843143128 1029827634 /nfs/dbraw/zinc/82/76/34/1029827634.db2.gz PCXLCMWGOYRIDI-UHFFFAOYSA-N 1 1 377.451 3.670 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CNC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001461646633 1069656613 /nfs/dbraw/zinc/65/66/13/1069656613.db2.gz UDYVYTFWPOUIOD-AWEZNQCLSA-N 1 1 382.302 3.854 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001223403866 1030559024 /nfs/dbraw/zinc/55/90/24/1030559024.db2.gz YHMVMGUNJARLJZ-QFBILLFUSA-N 1 1 382.464 3.620 20 5 GHBDMO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001461698326 1069685924 /nfs/dbraw/zinc/68/59/24/1069685924.db2.gz QVJDPFLQIRHLCE-UHFFFAOYSA-N 1 1 382.508 3.725 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1C[NH2+]C[C@@H]1F ZINC001218018991 1030726239 /nfs/dbraw/zinc/72/62/39/1030726239.db2.gz BSKBHDWMADGZCL-KXBFYZLASA-N 1 1 399.418 3.555 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4C[NH2+]CCC4(F)F)ccc3c21 ZINC001218449207 1030941261 /nfs/dbraw/zinc/94/12/61/1030941261.db2.gz RLZXNJOHBUIHTD-MRXNPFEDSA-N 1 1 387.338 3.774 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001152816142 1031367708 /nfs/dbraw/zinc/36/77/08/1031367708.db2.gz OVDYIYOEAXGJMV-HUUCEWRRSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001152816142 1031367715 /nfs/dbraw/zinc/36/77/15/1031367715.db2.gz OVDYIYOEAXGJMV-HUUCEWRRSA-N 1 1 385.489 3.911 20 5 GHBDMO Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)c2cccc3nc4ccccc4nc32)C1 ZINC001153866707 1031780704 /nfs/dbraw/zinc/78/07/04/1031780704.db2.gz PLHUTZRNGSNUPA-MRXNPFEDSA-N 1 1 384.439 3.780 20 5 GHBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccc2nc3ccccc3nc21 ZINC001153870494 1031783573 /nfs/dbraw/zinc/78/35/73/1031783573.db2.gz FOVQHALRTOEQQD-MOJGAOKDSA-N 1 1 394.478 3.643 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229141802 1033303845 /nfs/dbraw/zinc/30/38/45/1033303845.db2.gz RPWCBOWCAYMXRU-SWLSCSKDSA-N 1 1 392.253 3.967 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001157528231 1033642814 /nfs/dbraw/zinc/64/28/14/1033642814.db2.gz UMYKCCWMUBPHMK-UHFFFAOYSA-N 1 1 393.365 3.570 20 5 GHBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1-n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001157609731 1033689015 /nfs/dbraw/zinc/68/90/15/1033689015.db2.gz QKELADZQRQIMMU-UHFFFAOYSA-N 1 1 394.822 3.667 20 5 GHBDMO C[C@@H]1COCC[C@@H]1Oc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229808291 1033731737 /nfs/dbraw/zinc/73/17/37/1033731737.db2.gz PBYZPCOTZRXICT-VFNWGFHPSA-N 1 1 393.487 3.692 20 5 GHBDMO COc1ccc(C2=CCN(c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)CC2)cc1 ZINC001157732935 1033744332 /nfs/dbraw/zinc/74/43/32/1033744332.db2.gz AXPBLIGJTCRTES-DHZHZOJOSA-N 1 1 380.448 3.824 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N[C@H](CO)c2ccc(C(F)(F)F)cc2)ncc1[N+](=O)[O-] ZINC001159995569 1034820695 /nfs/dbraw/zinc/82/06/95/1034820695.db2.gz RJJQVQSLNBQPDH-MVGZEHJDSA-N 1 1 396.369 3.686 20 5 GHBDMO [NH3+]CCc1cn(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)c2ccncc12 ZINC001160952159 1035103286 /nfs/dbraw/zinc/10/32/86/1035103286.db2.gz SUNMBYRRAVAHPU-UHFFFAOYSA-N 1 1 394.822 3.545 20 5 GHBDMO CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232223117 1035171430 /nfs/dbraw/zinc/17/14/30/1035171430.db2.gz KFRXCHVQGZGMIP-QFIPXVFZSA-N 1 1 390.531 3.858 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cc(F)c(F)cc2Cl)no1 ZINC001248208784 1035639187 /nfs/dbraw/zinc/63/91/87/1035639187.db2.gz KXKAWXMMOSIPGV-CQSZACIVSA-N 1 1 380.738 3.819 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(c3cccc(F)c3)CCNCC1)CC2 ZINC001246436868 1037400386 /nfs/dbraw/zinc/40/03/86/1037400386.db2.gz KQVAGRAGEBPIMI-FQEVSTJZSA-N 1 1 383.467 3.850 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NC1(c3cccc(F)c3)CC[NH2+]CC1)CC2 ZINC001246436868 1037400400 /nfs/dbraw/zinc/40/04/00/1037400400.db2.gz KQVAGRAGEBPIMI-FQEVSTJZSA-N 1 1 383.467 3.850 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246669850 1037538071 /nfs/dbraw/zinc/53/80/71/1037538071.db2.gz ACECSDBWEAJCAP-AAIMPIBUSA-N 1 1 379.504 3.779 20 5 GHBDMO COc1cc([N+](=O)[O-])cc(-c2nc3cc(C)ccc3n2C2CC[NH2+]CC2)c1O ZINC001247038062 1037860913 /nfs/dbraw/zinc/86/09/13/1037860913.db2.gz KUGKHPGNOCKPSO-UHFFFAOYSA-N 1 1 382.420 3.559 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001247667048 1038302492 /nfs/dbraw/zinc/30/24/92/1038302492.db2.gz SOCPIILXWJUXEJ-HNNXBMFYSA-N 1 1 377.360 3.542 20 5 GHBDMO COC(=O)COc1ccccc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001462254730 1070122957 /nfs/dbraw/zinc/12/29/57/1070122957.db2.gz ITXIZCUMLNXMSJ-KRWDZBQOSA-N 1 1 384.432 3.526 20 5 GHBDMO O[C@]1(CNc2cccc3nc4ccccc4nc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001252939670 1039284776 /nfs/dbraw/zinc/28/47/76/1039284776.db2.gz VFGVRDCTXOUBRQ-DEOSSOPVSA-N 1 1 384.483 3.832 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1[N+](=O)[O-] ZINC001233577944 1039454759 /nfs/dbraw/zinc/45/47/59/1039454759.db2.gz LYDWTDCOLYTIEX-SOLBZPMBSA-N 1 1 383.404 3.792 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc(F)c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001233698014 1039546254 /nfs/dbraw/zinc/54/62/54/1039546254.db2.gz DWKCUEXECICVCX-INIZCTEOSA-N 1 1 378.375 3.543 20 5 GHBDMO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ncccc12 ZINC001233903004 1039693820 /nfs/dbraw/zinc/69/38/20/1039693820.db2.gz ZKOUJFVESLBMAS-OAHLLOKOSA-N 1 1 394.387 3.705 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001234048240 1039783952 /nfs/dbraw/zinc/78/39/52/1039783952.db2.gz HHHVBJQNKYBSFK-YWZLYKJASA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001234050314 1039786018 /nfs/dbraw/zinc/78/60/18/1039786018.db2.gz HGNUPTULQKBSHB-FOIQADDNSA-N 1 1 384.432 3.671 20 5 GHBDMO CC(C)(C)OC(=O)O[C@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254475197 1040261591 /nfs/dbraw/zinc/26/15/91/1040261591.db2.gz BRNNCQSQDQZYGW-SFHVURJKSA-N 1 1 391.468 3.590 20 5 GHBDMO CN1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H](c2ccccc2)C1 ZINC001254475149 1040262583 /nfs/dbraw/zinc/26/25/83/1040262583.db2.gz AWVCTYYAHBTBLL-QFIPXVFZSA-N 1 1 380.492 3.552 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001254551495 1040319634 /nfs/dbraw/zinc/31/96/34/1040319634.db2.gz CGSVQUYXTDZPHN-JQHSSLGASA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001254550785 1040319835 /nfs/dbraw/zinc/31/98/35/1040319835.db2.gz QXBHSAQGCQILEZ-HOTGVXAUSA-N 1 1 377.485 3.857 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(CC3CC3)nc21 ZINC001254560361 1040332322 /nfs/dbraw/zinc/33/23/22/1040332322.db2.gz FLRGDKWEPVPRPL-OXJNMPFZSA-N 1 1 398.507 3.768 20 5 GHBDMO CC(C)COC[C@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(C)c21 ZINC001254560858 1040333623 /nfs/dbraw/zinc/33/36/23/1040333623.db2.gz HXZWFCOVQGFGKY-SJLPKXTDSA-N 1 1 386.496 3.531 20 5 GHBDMO CC(C)COC[C@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(C)c21 ZINC001254560858 1040333629 /nfs/dbraw/zinc/33/36/29/1040333629.db2.gz HXZWFCOVQGFGKY-SJLPKXTDSA-N 1 1 386.496 3.531 20 5 GHBDMO CCn1ncc2c1C[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C[C@@H]2COCC1CC1 ZINC001254562158 1040333763 /nfs/dbraw/zinc/33/37/63/1040333763.db2.gz OPZUTIQZQJEQPG-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO CCn1ncc2c1C[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C[C@@H]2COCC1CC1 ZINC001254562158 1040333772 /nfs/dbraw/zinc/33/37/72/1040333772.db2.gz OPZUTIQZQJEQPG-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO Cc1ccc(O[C@@H]2C[C@H]3CN([C@@H](C)Cc4ccccc4[N+](=O)[O-])CC[N@H+]3C2)cc1 ZINC001254561335 1040333856 /nfs/dbraw/zinc/33/38/56/1040333856.db2.gz GPTOVQZJTJCAIH-RCZSKKKRSA-N 1 1 395.503 3.672 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592428 1040364652 /nfs/dbraw/zinc/36/46/52/1040364652.db2.gz DBXRZCFGYCWYGP-RXVVDRJESA-N 1 1 387.480 3.537 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3CCC[C@@]3(COc3cccnc3)C1)C2 ZINC001254594822 1040367067 /nfs/dbraw/zinc/36/70/67/1040367067.db2.gz FZERVWKMPYFROI-CBQOVEMMSA-N 1 1 379.460 3.638 20 5 GHBDMO CC(C)(C)OC(=O)N1CCCCC12C[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254602125 1040372512 /nfs/dbraw/zinc/37/25/12/1040372512.db2.gz BZYPRBJXYBRVEP-SFHVURJKSA-N 1 1 387.480 3.537 20 5 GHBDMO O=C1Nc2ccccc2CN1[C@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610288 1040382442 /nfs/dbraw/zinc/38/24/42/1040382442.db2.gz JGQFJXIKZRYWSH-PMACEKPBSA-N 1 1 392.459 3.574 20 5 GHBDMO C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001254609411 1040382739 /nfs/dbraw/zinc/38/27/39/1040382739.db2.gz WHLCBRBYYSUQTB-QRVBRYPASA-N 1 1 389.496 3.830 20 5 GHBDMO O=[N+]([O-])c1ccc(F)c(Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255422832 1041019052 /nfs/dbraw/zinc/01/90/52/1041019052.db2.gz YGWUCTMJSIKMTB-OAHLLOKOSA-N 1 1 382.395 3.697 20 5 GHBDMO O=[N+]([O-])c1cc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc([N+](=O)[O-])c1 ZINC001255479119 1041078076 /nfs/dbraw/zinc/07/80/76/1041078076.db2.gz QAIQMOZKGCCHRH-CQSZACIVSA-N 1 1 395.375 3.543 20 5 GHBDMO COc1cc(F)c([N+](=O)[O-])cc1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255486620 1041082917 /nfs/dbraw/zinc/08/29/17/1041082917.db2.gz KGXMZCBHDPYIOM-AWEZNQCLSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCO[C@@H](c4ccccc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099305 1041527697 /nfs/dbraw/zinc/52/76/97/1041527697.db2.gz NGKLIFIRVVOGSW-JOCHJYFZSA-N 1 1 397.475 3.646 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C)C[C@H]3Cc4ccccc4O3)CC2)ccc1[N+](=O)[O-] ZINC001256103572 1041529738 /nfs/dbraw/zinc/52/97/38/1041529738.db2.gz MVRTUBMBFFHHFL-LJQANCHMSA-N 1 1 397.475 3.508 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001462625701 1070424058 /nfs/dbraw/zinc/42/40/58/1070424058.db2.gz FFJUDXDCXHRGTQ-ZDUSSCGKSA-N 1 1 383.876 3.985 20 5 GHBDMO C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C1 ZINC001278304105 1042855529 /nfs/dbraw/zinc/85/55/29/1042855529.db2.gz OPMWAOKODYZBFE-LJQANCHMSA-N 1 1 395.503 3.891 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C1 ZINC001278304105 1042855534 /nfs/dbraw/zinc/85/55/34/1042855534.db2.gz OPMWAOKODYZBFE-LJQANCHMSA-N 1 1 395.503 3.891 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292272866 1043658129 /nfs/dbraw/zinc/65/81/29/1043658129.db2.gz LDLOAUSDCCNNTG-QGZVFWFLSA-N 1 1 399.516 3.959 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1C ZINC001292540594 1043779506 /nfs/dbraw/zinc/77/95/06/1043779506.db2.gz NNONXEJYHNVWGY-UHFFFAOYSA-N 1 1 395.503 3.992 20 5 GHBDMO COc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc([N+](=O)[O-])c1C ZINC001293053470 1044002918 /nfs/dbraw/zinc/00/29/18/1044002918.db2.gz SPJFTLKHYDWRPK-UHFFFAOYSA-N 1 1 397.475 3.648 20 5 GHBDMO COc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc([N+](=O)[O-])c1C ZINC001293053470 1044002933 /nfs/dbraw/zinc/00/29/33/1044002933.db2.gz SPJFTLKHYDWRPK-UHFFFAOYSA-N 1 1 397.475 3.648 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001296189038 1045277363 /nfs/dbraw/zinc/27/73/63/1045277363.db2.gz RFNBADVSPKGGCA-GOSISDBHSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001296189038 1045277365 /nfs/dbraw/zinc/27/73/65/1045277365.db2.gz RFNBADVSPKGGCA-GOSISDBHSA-N 1 1 387.867 3.985 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c([N+](=O)[O-])cc1F ZINC001297080187 1045443597 /nfs/dbraw/zinc/44/35/97/1045443597.db2.gz MYSSJXKEJOAGTP-UHFFFAOYSA-N 1 1 381.791 3.710 20 5 GHBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001297113753 1045454641 /nfs/dbraw/zinc/45/46/41/1045454641.db2.gz AHQJSMZYSSGZFS-HXUWFJFHSA-N 1 1 388.512 3.700 20 5 GHBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC001301379028 1046515721 /nfs/dbraw/zinc/51/57/21/1046515721.db2.gz MYGNTXKQUBCHEK-OAHLLOKOSA-N 1 1 385.489 3.960 20 5 GHBDMO CC[C@@H](NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610530332 1047473525 /nfs/dbraw/zinc/47/35/25/1047473525.db2.gz FIUDWEJQUFUZFI-LJQANCHMSA-N 1 1 376.501 3.808 20 5 GHBDMO C[C@H](C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC001266225368 1047719381 /nfs/dbraw/zinc/71/93/81/1047719381.db2.gz MGEWXZQOCPBWNX-IKGGRYGDSA-N 1 1 399.466 3.959 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[N@@H+](CC)C[C@H]2C)cc1OC ZINC001307645092 1049471819 /nfs/dbraw/zinc/47/18/19/1049471819.db2.gz USNOVHWTPGOFIF-GVDBMIGSSA-N 1 1 393.528 3.943 20 5 GHBDMO O=c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc(-c2ccccc2)[nH]1 ZINC001307648798 1049474996 /nfs/dbraw/zinc/47/49/96/1049474996.db2.gz SXFWPAZJTRZGDQ-UHFFFAOYSA-N 1 1 376.416 3.922 20 5 GHBDMO O=c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc(-c2ccccc2)[nH]1 ZINC001307648798 1049475005 /nfs/dbraw/zinc/47/50/05/1049475005.db2.gz SXFWPAZJTRZGDQ-UHFFFAOYSA-N 1 1 376.416 3.922 20 5 GHBDMO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)c(C)c1 ZINC001307742752 1049553985 /nfs/dbraw/zinc/55/39/85/1049553985.db2.gz UBOFHDWEKQZAEN-GOSISDBHSA-N 1 1 379.460 3.590 20 5 GHBDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001307853289 1049635318 /nfs/dbraw/zinc/63/53/18/1049635318.db2.gz LSAUVXOLDHFNDR-GHTZIAJQSA-N 1 1 388.439 3.571 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC001307898298 1049676283 /nfs/dbraw/zinc/67/62/83/1049676283.db2.gz WVEJDSCKSSFBLH-IBGZPJMESA-N 1 1 376.840 3.611 20 5 GHBDMO C[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccc(F)cc1 ZINC001310261465 1051255700 /nfs/dbraw/zinc/25/57/00/1051255700.db2.gz IOWUKFIHWYKZJV-UHFFFAOYSA-N 1 1 380.807 3.641 20 5 GHBDMO Cc1ccc(NCCNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[nH+]c1 ZINC001310472577 1051380623 /nfs/dbraw/zinc/38/06/23/1051380623.db2.gz UZHDRJBFHMHALO-UHFFFAOYSA-N 1 1 383.330 3.551 20 5 GHBDMO COc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC001333018922 1051634276 /nfs/dbraw/zinc/63/42/76/1051634276.db2.gz JCJDSXHNVMYSPK-QGZVFWFLSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1cccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC001333018922 1051634282 /nfs/dbraw/zinc/63/42/82/1051634282.db2.gz JCJDSXHNVMYSPK-QGZVFWFLSA-N 1 1 380.404 3.991 20 5 GHBDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cn1 ZINC001333831185 1051850349 /nfs/dbraw/zinc/85/03/49/1051850349.db2.gz ROXCOWIZDBBJSW-XGSMCBPESA-N 1 1 392.463 3.560 20 5 GHBDMO CCOc1ccc(C[N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)cc1OC ZINC001336105856 1052228309 /nfs/dbraw/zinc/22/83/09/1052228309.db2.gz VRFYFKQLBKKKHG-UHFFFAOYSA-N 1 1 384.436 3.750 20 5 GHBDMO CCOc1ccc(C[N@@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)cc1OC ZINC001336105856 1052228316 /nfs/dbraw/zinc/22/83/16/1052228316.db2.gz VRFYFKQLBKKKHG-UHFFFAOYSA-N 1 1 384.436 3.750 20 5 GHBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320643035 1055912772 /nfs/dbraw/zinc/91/27/72/1055912772.db2.gz LFEFYFMJLKZLHU-OMPKRAJASA-N 1 1 389.839 3.594 20 5 GHBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001320700026 1055933391 /nfs/dbraw/zinc/93/33/91/1055933391.db2.gz XDQWZUDNJFCPQL-AWEZNQCLSA-N 1 1 380.828 3.746 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC001321706788 1056369782 /nfs/dbraw/zinc/36/97/82/1056369782.db2.gz PNRGEZQKSOKSFH-UHFFFAOYSA-N 1 1 393.443 3.998 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4[C@H]3CCC[N@@H+]4C)c([N+](=O)[O-])c2)cc1 ZINC001472867988 1056975553 /nfs/dbraw/zinc/97/55/53/1056975553.db2.gz WHCWFFOCRDWBBH-RBUKOAKNSA-N 1 1 394.475 3.828 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc([N+](=O)[O-])cc1Br ZINC001323546685 1056984322 /nfs/dbraw/zinc/98/43/22/1056984322.db2.gz UVGZTVUFWWHNNB-UHFFFAOYSA-N 1 1 394.225 3.940 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc([N+](=O)[O-])cc1Br ZINC001323546685 1056984327 /nfs/dbraw/zinc/98/43/27/1056984327.db2.gz UVGZTVUFWWHNNB-UHFFFAOYSA-N 1 1 394.225 3.940 20 5 GHBDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848486828 1057122464 /nfs/dbraw/zinc/12/24/64/1057122464.db2.gz JTZRCDXZHPRTLW-ZNXRZULTSA-N 1 1 392.463 3.560 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001324610892 1057179121 /nfs/dbraw/zinc/17/91/21/1057179121.db2.gz LLCITQHJLGWSGH-SFHVURJKSA-N 1 1 381.476 3.741 20 5 GHBDMO Cc1c(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cnn1-c1cc[nH+]cc1 ZINC001325409742 1057323903 /nfs/dbraw/zinc/32/39/03/1057323903.db2.gz FXJXKXWHBJEQRW-KRWDZBQOSA-N 1 1 391.431 3.504 20 5 GHBDMO NC(=O)c1ccc(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001326084626 1057410833 /nfs/dbraw/zinc/41/08/33/1057410833.db2.gz OUPLJPVXJQXDDH-YQQQUEKLSA-N 1 1 394.475 3.691 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001441678142 1058838825 /nfs/dbraw/zinc/83/88/25/1058838825.db2.gz ALOHEROKRBNAMO-UHFFFAOYSA-N 1 1 385.811 3.709 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001340929082 1060256671 /nfs/dbraw/zinc/25/66/71/1060256671.db2.gz MQJQFLVBDJHBBD-HUUCEWRRSA-N 1 1 393.447 3.678 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001340929082 1060256685 /nfs/dbraw/zinc/25/66/85/1060256685.db2.gz MQJQFLVBDJHBBD-HUUCEWRRSA-N 1 1 393.447 3.678 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001545813261 1062018230 /nfs/dbraw/zinc/01/82/30/1062018230.db2.gz CMLOVPUACDTTFE-PBHICJAKSA-N 1 1 395.793 3.702 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001545813261 1062018258 /nfs/dbraw/zinc/01/82/58/1062018258.db2.gz CMLOVPUACDTTFE-PBHICJAKSA-N 1 1 395.793 3.702 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001545873518 1062056249 /nfs/dbraw/zinc/05/62/49/1062056249.db2.gz RHDVOANAQUQYKY-HUUCEWRRSA-N 1 1 379.526 3.898 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001545873518 1062056271 /nfs/dbraw/zinc/05/62/71/1062056271.db2.gz RHDVOANAQUQYKY-HUUCEWRRSA-N 1 1 379.526 3.898 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001348111978 1062923764 /nfs/dbraw/zinc/92/37/64/1062923764.db2.gz MGTASUQYBJLOME-MRXNPFEDSA-N 1 1 389.477 3.867 20 5 GHBDMO CC(C)Oc1nc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC001458367051 1063765966 /nfs/dbraw/zinc/76/59/66/1063765966.db2.gz ILPWEVGLGBXHFC-QFIPXVFZSA-N 1 1 396.491 3.879 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001458367986 1063766652 /nfs/dbraw/zinc/76/66/52/1063766652.db2.gz MITMYTCVWIPVEZ-UHFFFAOYSA-N 1 1 376.254 3.678 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC001459370909 1064079198 /nfs/dbraw/zinc/07/91/98/1064079198.db2.gz NWEHEWQBICCFPV-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO COc1ccc(CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])Cc2ccccc2)cc1 ZINC001459426954 1064096733 /nfs/dbraw/zinc/09/67/33/1064096733.db2.gz ZITLQTNIOWZUBR-UHFFFAOYSA-N 1 1 394.475 3.853 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC001459773198 1064210316 /nfs/dbraw/zinc/21/03/16/1064210316.db2.gz ZGKQMYJGBHMLEN-HZPDHXFCSA-N 1 1 379.501 3.554 20 5 GHBDMO CC(C)c1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001352081851 1064818696 /nfs/dbraw/zinc/81/86/96/1064818696.db2.gz UVSCHMUWQNLTKI-MRXNPFEDSA-N 1 1 381.476 3.895 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001465016185 1065328671 /nfs/dbraw/zinc/32/86/71/1065328671.db2.gz XDOWNIALCIGMQQ-AWEZNQCLSA-N 1 1 398.301 3.660 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)NCC[NH+]3CC=CC3)cc2[N+](=O)[O-])cc1 ZINC001465332331 1065549834 /nfs/dbraw/zinc/54/98/34/1065549834.db2.gz XRMPQARJUFBQHX-UHFFFAOYSA-N 1 1 383.473 3.656 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC001465366504 1065569490 /nfs/dbraw/zinc/56/94/90/1065569490.db2.gz FEFDNOVKRCZKEF-UHFFFAOYSA-N 1 1 379.888 3.658 20 5 GHBDMO Cc1ccc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c(N2CCCC2)[nH+]1 ZINC001466773508 1066306847 /nfs/dbraw/zinc/30/68/47/1066306847.db2.gz HEWDZTMIBIDTQY-UHFFFAOYSA-N 1 1 394.475 3.637 20 5 GHBDMO CCNc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc1[N+](=O)[O-] ZINC001357702179 1067236033 /nfs/dbraw/zinc/23/60/33/1067236033.db2.gz SFMHDBSPHFTHOJ-KRWDZBQOSA-N 1 1 380.448 3.651 20 5 GHBDMO Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC001357871418 1067313508 /nfs/dbraw/zinc/31/35/08/1067313508.db2.gz FQFRDJHDYFLINF-UHFFFAOYSA-N 1 1 398.419 3.700 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001361048150 1068751086 /nfs/dbraw/zinc/75/10/86/1068751086.db2.gz RHYHVBDYZYCRDC-DHWLSRIRSA-N 1 1 393.487 3.725 20 5 GHBDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001460084787 1068771118 /nfs/dbraw/zinc/77/11/18/1068771118.db2.gz OEHQGYDAGXLSIZ-OXJNMPFZSA-N 1 1 379.460 3.957 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@H]1Cc1ccccc1Cl ZINC001460166942 1068825590 /nfs/dbraw/zinc/82/55/90/1068825590.db2.gz QQRFORDRYHZOPF-KRWDZBQOSA-N 1 1 389.883 3.897 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@]1(O)CCc2ccccc21 ZINC001460284645 1068906816 /nfs/dbraw/zinc/90/68/16/1068906816.db2.gz UCWVZGSUPINOMK-SFHVURJKSA-N 1 1 391.265 3.623 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC001460481354 1068975074 /nfs/dbraw/zinc/97/50/74/1068975074.db2.gz JGMWHEAYJCQMQR-MRXNPFEDSA-N 1 1 375.469 3.977 20 5 GHBDMO C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001460880411 1069249496 /nfs/dbraw/zinc/24/94/96/1069249496.db2.gz OWBFRCKZIGVDEQ-INIZCTEOSA-N 1 1 394.475 3.516 20 5 GHBDMO C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001460880411 1069249519 /nfs/dbraw/zinc/24/95/19/1069249519.db2.gz OWBFRCKZIGVDEQ-INIZCTEOSA-N 1 1 394.475 3.516 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001471315212 1073014452 /nfs/dbraw/zinc/01/44/52/1073014452.db2.gz ODZUVFFFDHWHPK-IBGZPJMESA-N 1 1 381.476 3.572 20 5 GHBDMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001471399670 1073053307 /nfs/dbraw/zinc/05/33/07/1073053307.db2.gz LMHYHOBCAQJYEY-OAQYLSRUSA-N 1 1 381.476 3.650 20 5 GHBDMO CC[N@H+]1CCCC[C@@H]1CNc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001472693227 1073622889 /nfs/dbraw/zinc/62/28/89/1073622889.db2.gz XATLSWOQNNNYGH-CYBMUJFWSA-N 1 1 393.285 3.614 20 5 GHBDMO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@H+]1Cc1ccccc1 ZINC001472716045 1073632797 /nfs/dbraw/zinc/63/27/97/1073632797.db2.gz DNEYBCLLHAFYGV-JSGCOSHPSA-N 1 1 397.401 3.812 20 5 GHBDMO CC[N@H+]1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001472781384 1073663062 /nfs/dbraw/zinc/66/30/62/1073663062.db2.gz JHBVOSOEWRNXMO-INIZCTEOSA-N 1 1 382.464 3.686 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC001472834190 1073686929 /nfs/dbraw/zinc/68/69/29/1073686929.db2.gz SVVPUEHAXWDBQN-INIZCTEOSA-N 1 1 378.432 3.838 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001473175652 1073832360 /nfs/dbraw/zinc/83/23/60/1073832360.db2.gz NDTCUEVYLRHOEO-RBUKOAKNSA-N 1 1 389.496 3.983 20 5 GHBDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001473213281 1073864616 /nfs/dbraw/zinc/86/46/16/1073864616.db2.gz SPVLCPFCRGRYEM-DENIHFKCSA-N 1 1 384.476 3.679 20 5 GHBDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001473560678 1074017193 /nfs/dbraw/zinc/01/71/93/1074017193.db2.gz AIVHJSQKJZQIOR-HZPDHXFCSA-N 1 1 378.469 3.663 20 5 GHBDMO COC[C@@H](C)[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCc2ccccc21 ZINC001473691148 1074089902 /nfs/dbraw/zinc/08/99/02/1074089902.db2.gz DJOZADHLQLKCTA-IERDGZPVSA-N 1 1 397.475 3.866 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)[nH]n1 ZINC001473772642 1074134831 /nfs/dbraw/zinc/13/48/31/1074134831.db2.gz KKCRIFJPEVFMKM-AWEZNQCLSA-N 1 1 396.451 3.871 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)[nH]n1 ZINC001473772642 1074134837 /nfs/dbraw/zinc/13/48/37/1074134837.db2.gz KKCRIFJPEVFMKM-AWEZNQCLSA-N 1 1 396.451 3.871 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)n[nH]1 ZINC001473772642 1074134845 /nfs/dbraw/zinc/13/48/45/1074134845.db2.gz KKCRIFJPEVFMKM-AWEZNQCLSA-N 1 1 396.451 3.871 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)n[nH]1 ZINC001473772642 1074134849 /nfs/dbraw/zinc/13/48/49/1074134849.db2.gz KKCRIFJPEVFMKM-AWEZNQCLSA-N 1 1 396.451 3.871 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)C1 ZINC001474318049 1074339928 /nfs/dbraw/zinc/33/99/28/1074339928.db2.gz ONLMQWIBICJARB-GWCFXTLKSA-N 1 1 376.320 3.581 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c21 ZINC001164631506 719108867 /nfs/dbraw/zinc/10/88/67/719108867.db2.gz YKFKNRDNSYTOEG-FXAWDEMLSA-N 1 1 389.459 3.639 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721768 720376116 /nfs/dbraw/zinc/37/61/16/720376116.db2.gz AYQRNGKMTDIZGS-KBPBESRZSA-N 1 1 394.262 3.545 20 5 GHBDMO Cc1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c([N+](=O)[O-])c1 ZINC001164839771 720661937 /nfs/dbraw/zinc/66/19/37/720661937.db2.gz KEUHTPVTZXIWLM-IBGZPJMESA-N 1 1 396.491 3.558 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019881 721814967 /nfs/dbraw/zinc/81/49/67/721814967.db2.gz CANGCYWCSVZWAG-SXLOBPIMSA-N 1 1 395.507 3.739 20 5 GHBDMO O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H](c3[nH+]cc4n3CCCC4)C1)CCCC2 ZINC000580890121 837439445 /nfs/dbraw/zinc/43/94/45/837439445.db2.gz ZIIDWXFOCYLQLK-MRXNPFEDSA-N 1 1 381.480 3.785 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431777476 837455712 /nfs/dbraw/zinc/45/57/12/837455712.db2.gz BJLYKKUTVNQELN-ZDUSSCGKSA-N 1 1 398.301 3.599 20 5 GHBDMO Cc1ccc(Sc2ccc(C[NH2+][C@@H](CO)c3cnn(C)c3)cc2[N+](=O)[O-])cc1 ZINC000536054785 834524713 /nfs/dbraw/zinc/52/47/13/834524713.db2.gz ALXXKEYFQWPPSU-SFHVURJKSA-N 1 1 398.488 3.611 20 5 GHBDMO C[C@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000583630662 834784718 /nfs/dbraw/zinc/78/47/18/834784718.db2.gz NHTPKURLTIMVLO-QWRGUYRKSA-N 1 1 382.258 3.833 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246164258 834819763 /nfs/dbraw/zinc/81/97/63/834819763.db2.gz ONKLTDRVBMMKIH-JKSUJKDBSA-N 1 1 390.484 3.722 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000536102191 834878464 /nfs/dbraw/zinc/87/84/64/834878464.db2.gz GRPBVSBZEHMNON-INIZCTEOSA-N 1 1 391.855 3.680 20 5 GHBDMO Cc1[nH+]ccn1CCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278442576 835092889 /nfs/dbraw/zinc/09/28/89/835092889.db2.gz KOTJVXUBRUSEOT-UHFFFAOYSA-N 1 1 379.289 3.651 20 5 GHBDMO COc1cc(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000480580463 835113257 /nfs/dbraw/zinc/11/32/57/835113257.db2.gz QOVYDZFUGPKJAT-AEFFLSMTSA-N 1 1 397.475 3.552 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000472343656 835178203 /nfs/dbraw/zinc/17/82/03/835178203.db2.gz SFIPCSLBIQDMLO-FUHWJXTLSA-N 1 1 397.475 3.885 20 5 GHBDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1OCC(=O)NC ZINC000611796999 835351561 /nfs/dbraw/zinc/35/15/61/835351561.db2.gz AKKFQSBLDCLEBB-KRWDZBQOSA-N 1 1 391.855 3.614 20 5 GHBDMO CCOC(=O)C(C)(C)C1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000510118622 835405748 /nfs/dbraw/zinc/40/57/48/835405748.db2.gz IHHHMFTUFFLRBN-UHFFFAOYSA-N 1 1 382.432 3.544 20 5 GHBDMO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000179320373 835529812 /nfs/dbraw/zinc/52/98/12/835529812.db2.gz AIVVHRZNVSJKTM-UHFFFAOYSA-N 1 1 389.408 3.931 20 5 GHBDMO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000179320373 835529816 /nfs/dbraw/zinc/52/98/16/835529816.db2.gz AIVVHRZNVSJKTM-UHFFFAOYSA-N 1 1 389.408 3.931 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1[N+](=O)[O-] ZINC000612132008 835580382 /nfs/dbraw/zinc/58/03/82/835580382.db2.gz LGKAIHJFPFOVID-PWIZWCRZSA-N 1 1 397.450 3.764 20 5 GHBDMO COc1ccc(C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C2CC2)cc1 ZINC000052866957 835748099 /nfs/dbraw/zinc/74/80/99/835748099.db2.gz VELMZVYKMINGPG-INIZCTEOSA-N 1 1 397.475 3.867 20 5 GHBDMO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000102691972 835763012 /nfs/dbraw/zinc/76/30/12/835763012.db2.gz SKRPDAPIRBARHW-GFCCVEGCSA-N 1 1 377.828 3.855 20 5 GHBDMO CCOc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(Cl)c1OC ZINC000278716680 835867163 /nfs/dbraw/zinc/86/71/63/835867163.db2.gz PDEMXDGQSSTHSB-UHFFFAOYSA-N 1 1 390.827 3.822 20 5 GHBDMO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000179555023 835876681 /nfs/dbraw/zinc/87/66/81/835876681.db2.gz XHAYTEPUBKPEHN-GKCIPKSASA-N 1 1 389.883 3.971 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000375815564 835987696 /nfs/dbraw/zinc/98/76/96/835987696.db2.gz PXCXHVSVTAFTDQ-HXUWFJFHSA-N 1 1 389.496 3.607 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000411138899 836065071 /nfs/dbraw/zinc/06/50/71/836065071.db2.gz WWBBWBWUVKXHCI-GFCCVEGCSA-N 1 1 393.390 3.903 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3sccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000411150207 836068430 /nfs/dbraw/zinc/06/84/30/836068430.db2.gz ZANIOQPAYARZDR-GFCCVEGCSA-N 1 1 375.450 3.613 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609784704 836146248 /nfs/dbraw/zinc/14/62/48/836146248.db2.gz RHSWVJDTDJQWCO-YOEHRIQHSA-N 1 1 387.867 3.742 20 5 GHBDMO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000187205913 836189618 /nfs/dbraw/zinc/18/96/18/836189618.db2.gz HMBLGZNAMQRYMW-UHFFFAOYSA-N 1 1 379.416 3.964 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000612479116 836284135 /nfs/dbraw/zinc/28/41/35/836284135.db2.gz UETGPKIGHFJBKG-KRWDZBQOSA-N 1 1 399.466 3.880 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174178911 836401873 /nfs/dbraw/zinc/40/18/73/836401873.db2.gz OYXXISOMZXTYMM-GOSISDBHSA-N 1 1 382.464 3.971 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563067206 836464254 /nfs/dbraw/zinc/46/42/54/836464254.db2.gz FBQLKYJBHDRSNU-JSGCOSHPSA-N 1 1 386.395 3.596 20 5 GHBDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179953384 836464281 /nfs/dbraw/zinc/46/42/81/836464281.db2.gz CUMSQRLZSADKCF-SNVBAGLBSA-N 1 1 381.791 3.685 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000175787239 836708997 /nfs/dbraw/zinc/70/89/97/836708997.db2.gz KUFJPLGIMOJQBD-MRXNPFEDSA-N 1 1 387.867 3.842 20 5 GHBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000120538503 844231472 /nfs/dbraw/zinc/23/14/72/844231472.db2.gz OUHGYZGZCQQNCA-LLVKDONJSA-N 1 1 378.226 3.647 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510951222 844238923 /nfs/dbraw/zinc/23/89/23/844238923.db2.gz KYVKJGVDKBCYDH-UONOGXRCSA-N 1 1 387.402 3.745 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510951218 844239221 /nfs/dbraw/zinc/23/92/21/844239221.db2.gz KYVKJGVDKBCYDH-KBPBESRZSA-N 1 1 387.402 3.745 20 5 GHBDMO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175735952 837231428 /nfs/dbraw/zinc/23/14/28/837231428.db2.gz BSJDJBMKGBDSGU-MJGOQNOKSA-N 1 1 396.491 3.819 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000177290710 837902185 /nfs/dbraw/zinc/90/21/85/837902185.db2.gz IDMCBGTWYVFCSQ-GOSISDBHSA-N 1 1 381.476 3.823 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000177290710 837902190 /nfs/dbraw/zinc/90/21/90/837902190.db2.gz IDMCBGTWYVFCSQ-GOSISDBHSA-N 1 1 381.476 3.823 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000101604365 837970605 /nfs/dbraw/zinc/97/06/05/837970605.db2.gz QDOOGSSYYLWGKJ-UHFFFAOYSA-N 1 1 382.464 3.767 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177527860 837999493 /nfs/dbraw/zinc/99/94/93/837999493.db2.gz CIQLVQBJKWWRRH-YJBOKZPZSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000189018623 838045464 /nfs/dbraw/zinc/04/54/64/838045464.db2.gz GORFZEQRZJTIGX-DNVCBOLYSA-N 1 1 397.475 3.695 20 5 GHBDMO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000610341169 838562641 /nfs/dbraw/zinc/56/26/41/838562641.db2.gz MYIMRMXVABECSG-NRFANRHFSA-N 1 1 392.459 3.937 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](C2CC2)C1)Nc1cc(N2CC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000535727172 844352023 /nfs/dbraw/zinc/35/20/23/844352023.db2.gz SDKJMNHHDULDSF-ROUUACIJSA-N 1 1 398.507 3.502 20 5 GHBDMO Cc1c(CC(=O)Nc2ccccc2C[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000163918137 838686263 /nfs/dbraw/zinc/68/62/63/838686263.db2.gz IIGCHDAVKZCGNX-UHFFFAOYSA-N 1 1 385.489 3.633 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)nc1 ZINC000118866208 838734033 /nfs/dbraw/zinc/73/40/33/838734033.db2.gz OOTJRWHTHMVRCJ-CQSZACIVSA-N 1 1 383.839 3.878 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275766350 838767853 /nfs/dbraw/zinc/76/78/53/838767853.db2.gz LGNCIQZXSXAKSQ-INIZCTEOSA-N 1 1 377.488 3.898 20 5 GHBDMO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000414925379 838990403 /nfs/dbraw/zinc/99/04/03/838990403.db2.gz LSTZJNYRKOYSQL-VXGBXAGGSA-N 1 1 394.269 3.977 20 5 GHBDMO CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000549156717 839077106 /nfs/dbraw/zinc/07/71/06/839077106.db2.gz LECKFPHMCMTMSC-ZHPFXUNLSA-N 1 1 379.460 3.968 20 5 GHBDMO COc1cc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)c([N+](=O)[O-])cc1OC ZINC000415035713 839086448 /nfs/dbraw/zinc/08/64/48/839086448.db2.gz MKLDXEGLHKGDGP-HNNXBMFYSA-N 1 1 387.436 3.586 20 5 GHBDMO COc1cc(-c2noc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)ccc1C ZINC000549170507 839145094 /nfs/dbraw/zinc/14/50/94/839145094.db2.gz DNJKGORXQHDAPV-UHFFFAOYSA-N 1 1 382.420 3.636 20 5 GHBDMO COc1cc(-c2noc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)ccc1C ZINC000549170507 839145097 /nfs/dbraw/zinc/14/50/97/839145097.db2.gz DNJKGORXQHDAPV-UHFFFAOYSA-N 1 1 382.420 3.636 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000549172099 839146673 /nfs/dbraw/zinc/14/66/73/839146673.db2.gz QXOCSVHPRCLJMU-KRWDZBQOSA-N 1 1 398.381 3.528 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247270042 839556426 /nfs/dbraw/zinc/55/64/26/839556426.db2.gz RFDXOEYENODCBJ-XJKSGUPXSA-N 1 1 398.891 3.507 20 5 GHBDMO Cc1ccc(-c2ncc(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)s2)cc1 ZINC000535785642 844447923 /nfs/dbraw/zinc/44/79/23/844447923.db2.gz HWCKPIYZQDYRER-UHFFFAOYSA-N 1 1 395.488 3.744 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC[C@@H]21 ZINC000275907139 839769566 /nfs/dbraw/zinc/76/95/66/839769566.db2.gz CVXJXLIDENHNRN-KKSFZXQISA-N 1 1 375.472 3.650 20 5 GHBDMO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419380508 844469553 /nfs/dbraw/zinc/46/95/53/844469553.db2.gz BKXXOTAAEKRZLU-IBGZPJMESA-N 1 1 394.431 3.997 20 5 GHBDMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419380508 844469558 /nfs/dbraw/zinc/46/95/58/844469558.db2.gz BKXXOTAAEKRZLU-IBGZPJMESA-N 1 1 394.431 3.997 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000119244747 839932244 /nfs/dbraw/zinc/93/22/44/839932244.db2.gz JPUFVWBOXVXRNY-PXNSSMCTSA-N 1 1 381.476 3.697 20 5 GHBDMO COCCn1cc2c(n1)[C@@H]([NH2+][C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000417340699 840730267 /nfs/dbraw/zinc/73/02/67/840730267.db2.gz KFCMKZVOSPNWEW-PMACEKPBSA-N 1 1 384.480 3.872 20 5 GHBDMO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417332139 840734550 /nfs/dbraw/zinc/73/45/50/840734550.db2.gz NMSQRFJYGLNSOJ-IBGZPJMESA-N 1 1 392.452 3.695 20 5 GHBDMO CN(C(=O)C[NH+]1CCC(c2nc3ccccc3o2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000105331835 840826267 /nfs/dbraw/zinc/82/62/67/840826267.db2.gz JATTWBUFKMWNOU-UHFFFAOYSA-N 1 1 394.431 3.578 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000156923567 840897278 /nfs/dbraw/zinc/89/72/78/840897278.db2.gz LCAMSLLYLHUDPY-IRLDBZIGSA-N 1 1 393.487 3.650 20 5 GHBDMO CSc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181679329 840988483 /nfs/dbraw/zinc/98/84/83/840988483.db2.gz PIVPQFXEWVNHIH-UKRRQHHQSA-N 1 1 377.510 3.700 20 5 GHBDMO Cc1c(CC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000126482879 841149334 /nfs/dbraw/zinc/14/93/34/841149334.db2.gz WPNRJUHCKNPATH-QGZVFWFLSA-N 1 1 381.476 3.569 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2COCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000418099154 841503332 /nfs/dbraw/zinc/50/33/32/841503332.db2.gz BNLGBGZEEBQNOX-OAHLLOKOSA-N 1 1 394.374 3.608 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1OCc1ccccc1 ZINC000302188721 861233583 /nfs/dbraw/zinc/23/35/83/861233583.db2.gz XGSAMILEGRYRJW-MRXNPFEDSA-N 1 1 379.420 3.676 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000109565245 841959148 /nfs/dbraw/zinc/95/91/48/841959148.db2.gz BVQVXKRMLBFFIH-CYBMUJFWSA-N 1 1 393.896 3.952 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000126743149 842014366 /nfs/dbraw/zinc/01/43/66/842014366.db2.gz SHXFWOPIMAEKIE-CVEARBPZSA-N 1 1 386.471 3.898 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000599516206 861274923 /nfs/dbraw/zinc/27/49/23/861274923.db2.gz YECWQLRRDAJYBC-PHIMTYICSA-N 1 1 394.365 3.970 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000599516206 861274934 /nfs/dbraw/zinc/27/49/34/861274934.db2.gz YECWQLRRDAJYBC-PHIMTYICSA-N 1 1 394.365 3.970 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)s1 ZINC000600208926 861283193 /nfs/dbraw/zinc/28/31/93/861283193.db2.gz RVOYROPXOTYZEX-OKXMYEFYSA-N 1 1 376.503 3.809 20 5 GHBDMO CC(C)NC(=O)c1ccc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000603859568 861285677 /nfs/dbraw/zinc/28/56/77/861285677.db2.gz CHCXCEACZAVHSL-IYBDPMFKSA-N 1 1 376.501 3.513 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c2c(c1)COCO2 ZINC000175952143 842448251 /nfs/dbraw/zinc/44/82/51/842448251.db2.gz XYRNUGVTMITWEW-OAQYLSRUSA-N 1 1 398.459 3.685 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c2c(c1)COCO2 ZINC000175952143 842448259 /nfs/dbraw/zinc/44/82/59/842448259.db2.gz XYRNUGVTMITWEW-OAQYLSRUSA-N 1 1 398.459 3.685 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c2c(c1)COCO2 ZINC000175952160 842448315 /nfs/dbraw/zinc/44/83/15/842448315.db2.gz XYRNUGVTMITWEW-NRFANRHFSA-N 1 1 398.459 3.685 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c2c(c1)COCO2 ZINC000175952160 842448318 /nfs/dbraw/zinc/44/83/18/842448318.db2.gz XYRNUGVTMITWEW-NRFANRHFSA-N 1 1 398.459 3.685 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)CC3CC3)o2)c(Br)c1 ZINC000512084560 842451588 /nfs/dbraw/zinc/45/15/88/842451588.db2.gz XDPBGNPLSMQRLA-UHFFFAOYSA-N 1 1 395.253 3.822 20 5 GHBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000182065338 842569061 /nfs/dbraw/zinc/56/90/61/842569061.db2.gz FJLWORFGECGZPS-CQSZACIVSA-N 1 1 379.888 3.719 20 5 GHBDMO CC1CCN(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000182071275 842577735 /nfs/dbraw/zinc/57/77/35/842577735.db2.gz SOTGMAMBHNHEMK-UHFFFAOYSA-N 1 1 379.888 3.719 20 5 GHBDMO C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+]1CCC[C@@H](C)C1 ZINC000581923232 842698720 /nfs/dbraw/zinc/69/87/20/842698720.db2.gz IWHFPDPDOFBWAL-HZPDHXFCSA-N 1 1 377.488 3.532 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000603890057 861336990 /nfs/dbraw/zinc/33/69/90/861336990.db2.gz NANJNZQNYCPOIJ-MRXNPFEDSA-N 1 1 378.432 3.894 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000603890057 861336993 /nfs/dbraw/zinc/33/69/93/861336993.db2.gz NANJNZQNYCPOIJ-MRXNPFEDSA-N 1 1 378.432 3.894 20 5 GHBDMO Cc1cc(OCC(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000430831858 843049735 /nfs/dbraw/zinc/04/97/35/843049735.db2.gz WLAKOPZWVRTSIM-UHFFFAOYSA-N 1 1 377.828 3.636 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024663907 843059224 /nfs/dbraw/zinc/05/92/24/843059224.db2.gz BHJRFLVLEXQKEH-OAHLLOKOSA-N 1 1 394.431 3.863 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024663907 843059237 /nfs/dbraw/zinc/05/92/37/843059237.db2.gz BHJRFLVLEXQKEH-OAHLLOKOSA-N 1 1 394.431 3.863 20 5 GHBDMO COc1cc(C[NH+]2CCC(COc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000510620412 843064501 /nfs/dbraw/zinc/06/45/01/843064501.db2.gz UHOCABJUBUMHQG-UHFFFAOYSA-N 1 1 386.448 3.903 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000510666580 843154855 /nfs/dbraw/zinc/15/48/55/843154855.db2.gz LYHCKNLQLJRBOI-NRFANRHFSA-N 1 1 397.475 3.604 20 5 GHBDMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000548402651 843233583 /nfs/dbraw/zinc/23/35/83/843233583.db2.gz ZSGAVCZZDRBUNE-NSHDSACASA-N 1 1 389.362 3.629 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000603919351 861401369 /nfs/dbraw/zinc/40/13/69/861401369.db2.gz DFLLHNIUXWTNHL-MOPGFXCFSA-N 1 1 394.475 3.564 20 5 GHBDMO COc1cc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000510807510 843516719 /nfs/dbraw/zinc/51/67/19/843516719.db2.gz UILIWDWACHEQHB-MRXNPFEDSA-N 1 1 397.475 3.765 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000510873042 843683455 /nfs/dbraw/zinc/68/34/55/843683455.db2.gz CZXQEURXNFBTQF-NSHDSACASA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000510873042 843683459 /nfs/dbraw/zinc/68/34/59/843683459.db2.gz CZXQEURXNFBTQF-NSHDSACASA-N 1 1 393.793 3.529 20 5 GHBDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000471942544 843760167 /nfs/dbraw/zinc/76/01/67/843760167.db2.gz FXHMQZBDQLALJW-UHFFFAOYSA-N 1 1 384.480 3.850 20 5 GHBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)c1cccc(OC)c1 ZINC000052706226 845124161 /nfs/dbraw/zinc/12/41/61/845124161.db2.gz YSPBNARRKWQJCU-HNNXBMFYSA-N 1 1 383.448 3.576 20 5 GHBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)c1cccc(OC)c1 ZINC000052706226 845124165 /nfs/dbraw/zinc/12/41/65/845124165.db2.gz YSPBNARRKWQJCU-HNNXBMFYSA-N 1 1 383.448 3.576 20 5 GHBDMO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000509777794 845136095 /nfs/dbraw/zinc/13/60/95/845136095.db2.gz RXQRNRHAXPZAKS-QFBILLFUSA-N 1 1 397.475 3.901 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)OCC)c2)CC1 ZINC000433724022 845252468 /nfs/dbraw/zinc/25/24/68/845252468.db2.gz LCILLAVLSJFQFI-UHFFFAOYSA-N 1 1 377.485 3.720 20 5 GHBDMO Cc1noc(C2(C)CC[NH+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)n1 ZINC000513378868 845306325 /nfs/dbraw/zinc/30/63/25/845306325.db2.gz RJWIVVMRIJUOBT-UHFFFAOYSA-N 1 1 399.476 3.963 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000433828284 845443867 /nfs/dbraw/zinc/44/38/67/845443867.db2.gz JLRNNKQZCFLXOS-CQSZACIVSA-N 1 1 385.468 3.926 20 5 GHBDMO CC1(C)CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1Cc1ccccc1 ZINC000513449088 845472925 /nfs/dbraw/zinc/47/29/25/845472925.db2.gz XNCJGDCRDAELDN-UHFFFAOYSA-N 1 1 397.475 3.558 20 5 GHBDMO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000511059848 846154145 /nfs/dbraw/zinc/15/41/45/846154145.db2.gz OXPDQBFBQGHNFC-MRXNPFEDSA-N 1 1 387.480 3.578 20 5 GHBDMO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000511059848 846154151 /nfs/dbraw/zinc/15/41/51/846154151.db2.gz OXPDQBFBQGHNFC-MRXNPFEDSA-N 1 1 387.480 3.578 20 5 GHBDMO O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000731493209 861659158 /nfs/dbraw/zinc/65/91/58/861659158.db2.gz WCTGRFHXNARETO-SFHVURJKSA-N 1 1 376.526 3.926 20 5 GHBDMO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000366974094 846300321 /nfs/dbraw/zinc/30/03/21/846300321.db2.gz DLOSFGWCBYHUNI-UHFFFAOYSA-N 1 1 393.440 3.747 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000421562586 846337793 /nfs/dbraw/zinc/33/77/93/846337793.db2.gz SOAQRQDMMVMOSS-UXHICEINSA-N 1 1 393.487 3.806 20 5 GHBDMO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cn2cc[nH+]c12 ZINC000502859425 846555661 /nfs/dbraw/zinc/55/56/61/846555661.db2.gz XODWLBBYEGCYJZ-UHFFFAOYSA-N 1 1 375.182 3.566 20 5 GHBDMO Cc1cc(F)cc([C@]2(F)CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000502886901 846579846 /nfs/dbraw/zinc/57/98/46/846579846.db2.gz INYMVQTVWQGVRW-FQEVSTJZSA-N 1 1 389.402 3.942 20 5 GHBDMO Cc1cc(F)cc([C@]2(F)CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000502886901 846579852 /nfs/dbraw/zinc/57/98/52/846579852.db2.gz INYMVQTVWQGVRW-FQEVSTJZSA-N 1 1 389.402 3.942 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000501037488 846583853 /nfs/dbraw/zinc/58/38/53/846583853.db2.gz PYBUFVDIGQUPQM-IBGZPJMESA-N 1 1 396.491 3.520 20 5 GHBDMO CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501037488 846583862 /nfs/dbraw/zinc/58/38/62/846583862.db2.gz PYBUFVDIGQUPQM-IBGZPJMESA-N 1 1 396.491 3.520 20 5 GHBDMO CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501037488 846583870 /nfs/dbraw/zinc/58/38/70/846583870.db2.gz PYBUFVDIGQUPQM-IBGZPJMESA-N 1 1 396.491 3.520 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000511091523 846630573 /nfs/dbraw/zinc/63/05/73/846630573.db2.gz LYJPZLNCZYEFOZ-SIKLNZKXSA-N 1 1 384.476 3.524 20 5 GHBDMO COC(=O)c1cnc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000478280804 847040752 /nfs/dbraw/zinc/04/07/52/847040752.db2.gz CARPIVGWLQOWJG-OAHLLOKOSA-N 1 1 398.463 3.620 20 5 GHBDMO Cc1cc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc(N2CCCC2)[nH+]1 ZINC000413312065 847159438 /nfs/dbraw/zinc/15/94/38/847159438.db2.gz PQMZSHMCZUETHQ-UHFFFAOYSA-N 1 1 381.358 3.924 20 5 GHBDMO COc1ccc([C@@H](NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000511126652 847256466 /nfs/dbraw/zinc/25/64/66/847256466.db2.gz ZZACFICVGNKXFB-QFIPXVFZSA-N 1 1 399.491 3.591 20 5 GHBDMO COc1ccc([C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000511126652 847256475 /nfs/dbraw/zinc/25/64/75/847256475.db2.gz ZZACFICVGNKXFB-QFIPXVFZSA-N 1 1 399.491 3.591 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c2cccnc21 ZINC000501911290 847329801 /nfs/dbraw/zinc/32/98/01/847329801.db2.gz ZTVARXXVIFUTRF-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO Cc1c(CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000480071581 848062342 /nfs/dbraw/zinc/06/23/42/848062342.db2.gz JRVWJFDJCALPGA-KRWDZBQOSA-N 1 1 396.491 3.709 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000509158720 861881510 /nfs/dbraw/zinc/88/15/10/861881510.db2.gz XKGRHYIEKHPDRG-VBKZILBWSA-N 1 1 375.419 3.873 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247969501 849083904 /nfs/dbraw/zinc/08/39/04/849083904.db2.gz FKFVDUWTXINRBG-KYNGSXCRSA-N 1 1 385.489 3.637 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC[C@H]21 ZINC000248202522 849518868 /nfs/dbraw/zinc/51/88/68/849518868.db2.gz ZDSSRGOCOKFBRT-OXQOHEQNSA-N 1 1 395.459 3.943 20 5 GHBDMO COCC[N@@H+](C)CC[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000583451279 849921148 /nfs/dbraw/zinc/92/11/48/849921148.db2.gz PYHVCOCWDSIGIO-NHCUHLMSSA-N 1 1 383.492 3.881 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1OC ZINC000518765328 850061352 /nfs/dbraw/zinc/06/13/52/850061352.db2.gz VOPCXTNAPMAFQC-RKVPGOIHSA-N 1 1 378.469 3.639 20 5 GHBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c(C(F)(F)F)c1 ZINC000425279005 850096196 /nfs/dbraw/zinc/09/61/96/850096196.db2.gz UEPGKGLKVIZWTQ-WMLDXEAASA-N 1 1 392.381 3.719 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825592 862092561 /nfs/dbraw/zinc/09/25/61/862092561.db2.gz SFKTVMQNBOBFLF-LSDHHAIUSA-N 1 1 394.431 3.943 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825592 862092575 /nfs/dbraw/zinc/09/25/75/862092575.db2.gz SFKTVMQNBOBFLF-LSDHHAIUSA-N 1 1 394.431 3.943 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481720090 862097125 /nfs/dbraw/zinc/09/71/25/862097125.db2.gz SJOHSLVITPEWKB-QFIPXVFZSA-N 1 1 395.459 3.753 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000518865885 850246364 /nfs/dbraw/zinc/24/63/64/850246364.db2.gz BYRMYORBABTZQM-QLFBSQMISA-N 1 1 377.510 3.794 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000518870719 850264307 /nfs/dbraw/zinc/26/43/07/850264307.db2.gz GFLSAVCWAINZFZ-DAYGRLMNSA-N 1 1 386.496 3.647 20 5 GHBDMO CN(c1ccccc1)c1ccc(CN2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000514790342 850290839 /nfs/dbraw/zinc/29/08/39/850290839.db2.gz QFVRGNBFFOQMIQ-UHFFFAOYSA-N 1 1 398.507 3.693 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000518913885 850341215 /nfs/dbraw/zinc/34/12/15/850341215.db2.gz NOUKAQIDAVTMHF-IBGZPJMESA-N 1 1 397.479 3.817 20 5 GHBDMO CC[N@@H+](CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(C)C ZINC000435329266 850376451 /nfs/dbraw/zinc/37/64/51/850376451.db2.gz OUDYTIIUWCNSFK-UHFFFAOYSA-N 1 1 387.278 3.518 20 5 GHBDMO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435374646 850421836 /nfs/dbraw/zinc/42/18/36/850421836.db2.gz JEPVPPBCGOQDHQ-RYUDHWBXSA-N 1 1 394.269 3.786 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000439932525 850603632 /nfs/dbraw/zinc/60/36/32/850603632.db2.gz OJCZKVCTCPTXJR-UHFFFAOYSA-N 1 1 392.500 3.969 20 5 GHBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000425396187 850708999 /nfs/dbraw/zinc/70/89/99/850708999.db2.gz APTZQJKQQDWEMC-MRXNPFEDSA-N 1 1 379.254 3.913 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000425396187 850709002 /nfs/dbraw/zinc/70/90/02/850709002.db2.gz APTZQJKQQDWEMC-MRXNPFEDSA-N 1 1 379.254 3.913 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2c1 ZINC000604472608 862215152 /nfs/dbraw/zinc/21/51/52/862215152.db2.gz GJGTXASKJAUNOE-SFHVURJKSA-N 1 1 376.460 3.889 20 5 GHBDMO C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@H+]1CCCC[C@H]1C ZINC000436095231 851213315 /nfs/dbraw/zinc/21/33/15/851213315.db2.gz AMKQLJWQPUWHJM-CABCVRRESA-N 1 1 395.478 3.813 20 5 GHBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)c1ccccc1 ZINC000514088189 851227761 /nfs/dbraw/zinc/22/77/61/851227761.db2.gz KHFBHKNKSMKKMV-UZLBHIALSA-N 1 1 379.464 3.532 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)n2)c1 ZINC000570087033 851304442 /nfs/dbraw/zinc/30/44/42/851304442.db2.gz HMGQNWRCEGLKLO-NRFANRHFSA-N 1 1 392.415 3.615 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)n2)c1 ZINC000570087033 851304445 /nfs/dbraw/zinc/30/44/45/851304445.db2.gz HMGQNWRCEGLKLO-NRFANRHFSA-N 1 1 392.415 3.615 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000436340301 851484462 /nfs/dbraw/zinc/48/44/62/851484462.db2.gz ZFWCNPYUFMIAHN-LLVKDONJSA-N 1 1 381.358 3.535 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000488470908 851542047 /nfs/dbraw/zinc/54/20/47/851542047.db2.gz SBSPUYHVVUDTOR-UZLBHIALSA-N 1 1 399.516 3.714 20 5 GHBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430103706 851556798 /nfs/dbraw/zinc/55/67/98/851556798.db2.gz LTQYDVSRWAGMON-INIZCTEOSA-N 1 1 392.477 3.644 20 5 GHBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430103706 851556806 /nfs/dbraw/zinc/55/68/06/851556806.db2.gz LTQYDVSRWAGMON-INIZCTEOSA-N 1 1 392.477 3.644 20 5 GHBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)C1 ZINC000430118529 851600887 /nfs/dbraw/zinc/60/08/87/851600887.db2.gz CCBNSISYIQCKBH-VCBZYWHSSA-N 1 1 386.521 3.880 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000175180102 851788602 /nfs/dbraw/zinc/78/86/02/851788602.db2.gz PKOJANUVVRKVFS-UHFFFAOYSA-N 1 1 383.404 3.810 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000481798243 862289193 /nfs/dbraw/zinc/28/91/93/862289193.db2.gz FEWZENHOPRPYIY-HNNXBMFYSA-N 1 1 399.516 3.883 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000604539628 862291735 /nfs/dbraw/zinc/29/17/35/862291735.db2.gz ABADUESUQWFKAW-UHFFFAOYSA-N 1 1 392.459 3.733 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000515918565 851945409 /nfs/dbraw/zinc/94/54/09/851945409.db2.gz IPZWIFDFDBSMKU-FCONWMNKSA-N 1 1 399.413 3.779 20 5 GHBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000517626247 852167752 /nfs/dbraw/zinc/16/77/52/852167752.db2.gz YKXTZOAFIDOTHA-AEFFLSMTSA-N 1 1 397.258 3.871 20 5 GHBDMO CNC(=O)C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000481822502 862348742 /nfs/dbraw/zinc/34/87/42/862348742.db2.gz HLEUNWHJIGBFKP-LJQANCHMSA-N 1 1 379.416 3.822 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000489501576 852390547 /nfs/dbraw/zinc/39/05/47/852390547.db2.gz WXFDTNYZMNTKHU-YLJYHZDGSA-N 1 1 396.491 3.647 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000150801913 852406523 /nfs/dbraw/zinc/40/65/23/852406523.db2.gz MCKIIUXIODKGAQ-KBPBESRZSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000150801913 852406530 /nfs/dbraw/zinc/40/65/30/852406530.db2.gz MCKIIUXIODKGAQ-KBPBESRZSA-N 1 1 381.448 3.859 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000507202071 852651539 /nfs/dbraw/zinc/65/15/39/852651539.db2.gz GIODVJHETHUWRX-JKSUJKDBSA-N 1 1 383.448 3.728 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490017045 852724998 /nfs/dbraw/zinc/72/49/98/852724998.db2.gz XMEOMIKRXMYLIP-QFBILLFUSA-N 1 1 396.491 3.650 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000516688534 852889434 /nfs/dbraw/zinc/88/94/34/852889434.db2.gz HJAMGRVJEMAEFC-UYAOXDASSA-N 1 1 381.476 3.557 20 5 GHBDMO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490286372 852898411 /nfs/dbraw/zinc/89/84/11/852898411.db2.gz KAKMAWIQXNMIBR-MJGOQNOKSA-N 1 1 395.503 3.899 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000507578331 853049803 /nfs/dbraw/zinc/04/98/03/853049803.db2.gz DZHLGRSJYKQBRQ-NVXWUHKLSA-N 1 1 385.489 3.639 20 5 GHBDMO C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000437463429 853163443 /nfs/dbraw/zinc/16/34/43/853163443.db2.gz SJFZNKGAWAFFHD-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000517009348 853250749 /nfs/dbraw/zinc/25/07/49/853250749.db2.gz OTJMVMWWYBQNOO-CVEARBPZSA-N 1 1 377.488 3.532 20 5 GHBDMO C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490779285 853255777 /nfs/dbraw/zinc/25/57/77/853255777.db2.gz AYIWYONJUHKCOS-FUHWJXTLSA-N 1 1 399.516 3.714 20 5 GHBDMO COc1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000543892613 853264434 /nfs/dbraw/zinc/26/44/34/853264434.db2.gz NQRVAAHPUBZDPL-NVXWUHKLSA-N 1 1 398.463 3.636 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)COCc2ccccc2Cl)C2CC2)cc1 ZINC000490824092 853276643 /nfs/dbraw/zinc/27/66/43/853276643.db2.gz GRNJPLXWZRXLBV-LJQANCHMSA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490808660 853283901 /nfs/dbraw/zinc/28/39/01/853283901.db2.gz CPMIQSQVFXJCIT-RDJZCZTQSA-N 1 1 392.459 3.717 20 5 GHBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729479975 853390557 /nfs/dbraw/zinc/39/05/57/853390557.db2.gz LKRHYHZQQDMZIW-SFHVURJKSA-N 1 1 377.485 3.859 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000586778960 853542413 /nfs/dbraw/zinc/54/24/13/853542413.db2.gz KZGRCAYTMNLJTC-VSKRKVRLSA-N 1 1 382.460 3.868 20 5 GHBDMO CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760657019 853659185 /nfs/dbraw/zinc/65/91/85/853659185.db2.gz OQORMTRRBJLFEK-KRWDZBQOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000171584427 862490152 /nfs/dbraw/zinc/49/01/52/862490152.db2.gz HEDAXJIIHNBJSW-ZDUSSCGKSA-N 1 1 381.448 3.859 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441373565 854156865 /nfs/dbraw/zinc/15/68/65/854156865.db2.gz BRRWDUWPTRAHRH-ZIAGYGMSSA-N 1 1 387.402 3.779 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000588821054 854507871 /nfs/dbraw/zinc/50/78/71/854507871.db2.gz MWLCMRAUJKKZLN-NRFANRHFSA-N 1 1 383.496 3.612 20 5 GHBDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589257583 854763528 /nfs/dbraw/zinc/76/35/28/854763528.db2.gz RAHAXWIZTKTQAX-NSHDSACASA-N 1 1 397.216 3.787 20 5 GHBDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589257583 854763532 /nfs/dbraw/zinc/76/35/32/854763532.db2.gz RAHAXWIZTKTQAX-NSHDSACASA-N 1 1 397.216 3.787 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)Cc1ccc3ccccc3c1)CCO2 ZINC000589304707 854774601 /nfs/dbraw/zinc/77/46/01/854774601.db2.gz MHLYBRKJIVQLOS-OAQYLSRUSA-N 1 1 378.428 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)Cc1ccc3ccccc3c1)CCO2 ZINC000589304707 854774607 /nfs/dbraw/zinc/77/46/07/854774607.db2.gz MHLYBRKJIVQLOS-OAQYLSRUSA-N 1 1 378.428 3.546 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000589484896 854903351 /nfs/dbraw/zinc/90/33/51/854903351.db2.gz ASYSLIFMLRXUST-QGZVFWFLSA-N 1 1 385.439 3.766 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000589494539 854907275 /nfs/dbraw/zinc/90/72/75/854907275.db2.gz XZTBSBMMKANZOG-OAHLLOKOSA-N 1 1 395.415 3.902 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(c3ncc(C)s3)CC2)c1 ZINC000589515152 854973076 /nfs/dbraw/zinc/97/30/76/854973076.db2.gz LMMKRLGSLOTEDL-UHFFFAOYSA-N 1 1 375.450 3.526 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589580699 855020090 /nfs/dbraw/zinc/02/00/90/855020090.db2.gz FXOVGWGLBFTBCA-IAGOWNOFSA-N 1 1 398.438 3.720 20 5 GHBDMO C[N@@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000553449612 855023453 /nfs/dbraw/zinc/02/34/53/855023453.db2.gz UVCUUYUWXQGHEF-HIFRSBDPSA-N 1 1 391.403 3.735 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000553449612 855023461 /nfs/dbraw/zinc/02/34/61/855023461.db2.gz UVCUUYUWXQGHEF-HIFRSBDPSA-N 1 1 391.403 3.735 20 5 GHBDMO CNC(=O)c1ccc(N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])c1 ZINC000301526390 855200116 /nfs/dbraw/zinc/20/01/16/855200116.db2.gz HYFMAGLVTAYEFW-ZDUSSCGKSA-N 1 1 379.420 3.622 20 5 GHBDMO Cc1cc(N2CCC(Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)nc(C)[nH+]1 ZINC000301539159 855205799 /nfs/dbraw/zinc/20/57/99/855205799.db2.gz JOJRVGIONPRSKP-UHFFFAOYSA-N 1 1 393.394 3.684 20 5 GHBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000590661463 855536740 /nfs/dbraw/zinc/53/67/40/855536740.db2.gz SBZDXHKAHXIBSK-MEBBXXQBSA-N 1 1 381.226 3.572 20 5 GHBDMO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000573242189 856019461 /nfs/dbraw/zinc/01/94/61/856019461.db2.gz DQSYNUOVVXWCIC-HXUWFJFHSA-N 1 1 398.507 3.833 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000573243495 856020134 /nfs/dbraw/zinc/02/01/34/856020134.db2.gz PHOKXOBGMWBPQS-HIFRSBDPSA-N 1 1 397.401 3.842 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000045806409 856029747 /nfs/dbraw/zinc/02/97/47/856029747.db2.gz LBXDFZLTSGUKDF-CQSZACIVSA-N 1 1 387.436 3.634 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000045806409 856029751 /nfs/dbraw/zinc/02/97/51/856029751.db2.gz LBXDFZLTSGUKDF-CQSZACIVSA-N 1 1 387.436 3.634 20 5 GHBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1c(Cl)cccc1Cl ZINC000046599292 856332321 /nfs/dbraw/zinc/33/23/21/856332321.db2.gz AMZNFAFSSPGODL-ZDUSSCGKSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1c(Cl)cccc1Cl ZINC000046599292 856332331 /nfs/dbraw/zinc/33/23/31/856332331.db2.gz AMZNFAFSSPGODL-ZDUSSCGKSA-N 1 1 385.247 3.773 20 5 GHBDMO CNC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301437926 856359796 /nfs/dbraw/zinc/35/97/96/856359796.db2.gz SOZNPGDSKCJFCA-KBXCAEBGSA-N 1 1 388.493 3.511 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)cs1 ZINC000592144839 856697205 /nfs/dbraw/zinc/69/72/05/856697205.db2.gz JUPKSOAFAVQCJQ-CYBMUJFWSA-N 1 1 376.356 3.768 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173104722 856740280 /nfs/dbraw/zinc/74/02/80/856740280.db2.gz OAUKVDNSWFNHKV-KRWDZBQOSA-N 1 1 381.476 3.686 20 5 GHBDMO CNc1c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000462983250 856766154 /nfs/dbraw/zinc/76/61/54/856766154.db2.gz ZVSMFYMSEJJWJF-FUHWJXTLSA-N 1 1 396.491 3.762 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173339273 856870852 /nfs/dbraw/zinc/87/08/52/856870852.db2.gz RZTMIHNLSGBUSK-GOSISDBHSA-N 1 1 382.464 3.971 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000173476519 856952400 /nfs/dbraw/zinc/95/24/00/856952400.db2.gz UJPIMRVAEZLAAK-FQEVSTJZSA-N 1 1 382.464 3.745 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000173476519 856952407 /nfs/dbraw/zinc/95/24/07/856952407.db2.gz UJPIMRVAEZLAAK-FQEVSTJZSA-N 1 1 382.464 3.745 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173651131 857055699 /nfs/dbraw/zinc/05/56/99/857055699.db2.gz UCVXBGGLOBGTLH-IBGZPJMESA-N 1 1 397.475 3.771 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001128960615 857100364 /nfs/dbraw/zinc/10/03/64/857100364.db2.gz BDFMILQLTDAQPH-INIZCTEOSA-N 1 1 381.476 3.806 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000174005830 857196684 /nfs/dbraw/zinc/19/66/84/857196684.db2.gz QDOGIOOWRBVTMQ-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000174005830 857196688 /nfs/dbraw/zinc/19/66/88/857196688.db2.gz QDOGIOOWRBVTMQ-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO COC[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000112990791 857248483 /nfs/dbraw/zinc/24/84/83/857248483.db2.gz HKDXLCTUXXEZOB-UWJYYQICSA-N 1 1 397.475 3.941 20 5 GHBDMO COC[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000112990791 857248491 /nfs/dbraw/zinc/24/84/91/857248491.db2.gz HKDXLCTUXXEZOB-UWJYYQICSA-N 1 1 397.475 3.941 20 5 GHBDMO Cc1c(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000141712661 857298293 /nfs/dbraw/zinc/29/82/93/857298293.db2.gz DLGIEUBNVDADIJ-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1c(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000141712661 857298319 /nfs/dbraw/zinc/29/83/19/857298319.db2.gz DLGIEUBNVDADIJ-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(Br)cc1O ZINC000592396405 857332840 /nfs/dbraw/zinc/33/28/40/857332840.db2.gz AEAZYHXCTMVYRH-SNVBAGLBSA-N 1 1 381.226 3.922 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000246432787 857378845 /nfs/dbraw/zinc/37/88/45/857378845.db2.gz CRRFDYTYPHOOLZ-FXAWDEMLSA-N 1 1 396.491 3.741 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)o2)c1 ZINC000246432787 857378884 /nfs/dbraw/zinc/37/88/84/857378884.db2.gz CRRFDYTYPHOOLZ-FXAWDEMLSA-N 1 1 396.491 3.741 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)o2)c1 ZINC000246432787 857378892 /nfs/dbraw/zinc/37/88/92/857378892.db2.gz CRRFDYTYPHOOLZ-FXAWDEMLSA-N 1 1 396.491 3.741 20 5 GHBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000907088992 857476097 /nfs/dbraw/zinc/47/60/97/857476097.db2.gz ZISMPNCFTXUISO-HNAYVOBHSA-N 1 1 391.899 3.656 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COCc1ccccc1F ZINC000065512351 857642206 /nfs/dbraw/zinc/64/22/06/857642206.db2.gz OXVMBXKCJFYGCR-IBGZPJMESA-N 1 1 376.428 3.522 20 5 GHBDMO C[N@@H+](CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000058857123 857664034 /nfs/dbraw/zinc/66/40/34/857664034.db2.gz VMORRJZDNKEPTC-UHFFFAOYSA-N 1 1 389.839 3.865 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486434713 857734379 /nfs/dbraw/zinc/73/43/79/857734379.db2.gz PYGVVPUQNQGGQW-MEXJDSSQSA-N 1 1 394.475 3.997 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1nc(-c3ccc(Cl)cc3)no1)CC2 ZINC000131493625 857839673 /nfs/dbraw/zinc/83/96/73/857839673.db2.gz LAICLVAVZLGTHL-UHFFFAOYSA-N 1 1 384.823 3.899 20 5 GHBDMO Cc1c(Br)c(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000544395982 857841291 /nfs/dbraw/zinc/84/12/91/857841291.db2.gz LSADZNGJFIVHEU-CJNGLKHVSA-N 1 1 391.269 3.918 20 5 GHBDMO Cc1c(Br)c(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000544395982 857841295 /nfs/dbraw/zinc/84/12/95/857841295.db2.gz LSADZNGJFIVHEU-CJNGLKHVSA-N 1 1 391.269 3.918 20 5 GHBDMO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312609121 857886098 /nfs/dbraw/zinc/88/60/98/857886098.db2.gz ZFPBMQMXUNIFSP-UKRRQHHQSA-N 1 1 383.477 3.922 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000186206620 857900672 /nfs/dbraw/zinc/90/06/72/857900672.db2.gz RMNRGEICISDEMX-MRXNPFEDSA-N 1 1 391.537 3.949 20 5 GHBDMO CC[N@@H+](C)[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000486734237 858025806 /nfs/dbraw/zinc/02/58/06/858025806.db2.gz TZIMNLDINHDRQC-QGZVFWFLSA-N 1 1 395.381 3.923 20 5 GHBDMO Cc1cc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000574644391 858104436 /nfs/dbraw/zinc/10/44/36/858104436.db2.gz HLCPCPUFFDYDBB-UHFFFAOYSA-N 1 1 397.479 3.649 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000184888707 858266019 /nfs/dbraw/zinc/26/60/19/858266019.db2.gz ZEDSCIFPFNFMEM-DBXWQHBBSA-N 1 1 385.508 3.639 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000067012918 858395723 /nfs/dbraw/zinc/39/57/23/858395723.db2.gz DATMUGIFLPHGOZ-UHFFFAOYSA-N 1 1 382.464 3.971 20 5 GHBDMO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000301877452 858453329 /nfs/dbraw/zinc/45/33/29/858453329.db2.gz HCTHYDPJITVKCU-WBVHZDCISA-N 1 1 378.335 3.639 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000301877452 858453333 /nfs/dbraw/zinc/45/33/33/858453333.db2.gz HCTHYDPJITVKCU-WBVHZDCISA-N 1 1 378.335 3.639 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000595421609 858526250 /nfs/dbraw/zinc/52/62/50/858526250.db2.gz GVPBDYIBSYZEFP-MRXNPFEDSA-N 1 1 381.411 3.899 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(CNCC3([NH+]4CCCCC4)CCOCC3)o2)cc1 ZINC000522063492 858586291 /nfs/dbraw/zinc/58/62/91/858586291.db2.gz SQKRARQAZVRIBK-UHFFFAOYSA-N 1 1 399.491 3.980 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000595752507 858675569 /nfs/dbraw/zinc/67/55/69/858675569.db2.gz LRZLKQHRDLBXBJ-QGZVFWFLSA-N 1 1 387.411 3.908 20 5 GHBDMO COc1cc(C[NH+]2CCC3(CCCC3=O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595818621 858682265 /nfs/dbraw/zinc/68/22/65/858682265.db2.gz QWXBFPQQTMKPFF-UHFFFAOYSA-N 1 1 398.406 3.583 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000595785405 858686158 /nfs/dbraw/zinc/68/61/58/858686158.db2.gz FESMTFWGJPKRGL-KXBFYZLASA-N 1 1 375.469 3.511 20 5 GHBDMO C[N@@H+](CCc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482676970 858753594 /nfs/dbraw/zinc/75/35/94/858753594.db2.gz KIMMHKVITBNNGJ-UHFFFAOYSA-N 1 1 389.253 3.908 20 5 GHBDMO Cc1ccc([C@H](CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000843782990 858773088 /nfs/dbraw/zinc/77/30/88/858773088.db2.gz CTJXLZAXNIEBEY-INIZCTEOSA-N 1 1 375.400 3.511 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(C(N)=O)c3)cc2)C1 ZINC000596078464 858775071 /nfs/dbraw/zinc/77/50/71/858775071.db2.gz QKGABOOZENFKHR-HNNXBMFYSA-N 1 1 382.464 3.538 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(c3sccc3[N+](=O)[O-])C2)ccn1 ZINC000856535176 881347069 /nfs/dbraw/zinc/34/70/69/881347069.db2.gz QHGPWBZEPPRITG-INIZCTEOSA-N 1 1 376.482 3.549 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000060090388 858847295 /nfs/dbraw/zinc/84/72/95/858847295.db2.gz DBIIDTQWSNIWBF-KRWDZBQOSA-N 1 1 387.436 3.506 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000160437310 858894352 /nfs/dbraw/zinc/89/43/52/858894352.db2.gz FAJDGBOBDFMFBI-APPDUMDISA-N 1 1 395.431 3.747 20 5 GHBDMO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000116276296 858921966 /nfs/dbraw/zinc/92/19/66/858921966.db2.gz ZKBQEQMWDUENNL-GASCZTMLSA-N 1 1 381.904 3.569 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000153204458 881361351 /nfs/dbraw/zinc/36/13/51/881361351.db2.gz QXPYQNOHKPMDEY-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](CC)Cc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000190501436 858967951 /nfs/dbraw/zinc/96/79/51/858967951.db2.gz HKFHZAPFMHMCGW-UHFFFAOYSA-N 1 1 396.447 3.935 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)Cc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000190501436 858967954 /nfs/dbraw/zinc/96/79/54/858967954.db2.gz HKFHZAPFMHMCGW-UHFFFAOYSA-N 1 1 396.447 3.935 20 5 GHBDMO C[NH+](C)[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000482909496 858969260 /nfs/dbraw/zinc/96/92/60/858969260.db2.gz GPLYANHDBXQYFX-KRWDZBQOSA-N 1 1 396.274 3.863 20 5 GHBDMO Cc1c(NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000596636815 858991001 /nfs/dbraw/zinc/99/10/01/858991001.db2.gz VQDHLAJMGIAXMR-SFHVURJKSA-N 1 1 382.464 3.684 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1OC ZINC000439300058 859004475 /nfs/dbraw/zinc/00/44/75/859004475.db2.gz QPZLLRNBVHNRRG-DJIMGWMZSA-N 1 1 380.485 3.764 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000543247402 859032566 /nfs/dbraw/zinc/03/25/66/859032566.db2.gz XKDLIEMLKDSHQY-MRXNPFEDSA-N 1 1 383.448 3.648 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000543247402 859032577 /nfs/dbraw/zinc/03/25/77/859032577.db2.gz XKDLIEMLKDSHQY-MRXNPFEDSA-N 1 1 383.448 3.648 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483106379 859142007 /nfs/dbraw/zinc/14/20/07/859142007.db2.gz OFPIKBKXFWHTMZ-OAHLLOKOSA-N 1 1 387.411 3.561 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483106379 859142013 /nfs/dbraw/zinc/14/20/13/859142013.db2.gz OFPIKBKXFWHTMZ-OAHLLOKOSA-N 1 1 387.411 3.561 20 5 GHBDMO Cc1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)ccc1I ZINC000466364955 859235176 /nfs/dbraw/zinc/23/51/76/859235176.db2.gz SGSFKTGYDZTTJE-UHFFFAOYSA-N 1 1 388.230 3.859 20 5 GHBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597227210 859362076 /nfs/dbraw/zinc/36/20/76/859362076.db2.gz AYQCXYPCWUDCAZ-HNNXBMFYSA-N 1 1 385.489 3.768 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000463951617 859376187 /nfs/dbraw/zinc/37/61/87/859376187.db2.gz PBEZFMBDDSGMQT-VQIMIIECSA-N 1 1 382.464 3.854 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000474159217 859382833 /nfs/dbraw/zinc/38/28/33/859382833.db2.gz MPDRKEDQLXJXJS-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C[C@H]1C ZINC000611088447 859599847 /nfs/dbraw/zinc/59/98/47/859599847.db2.gz WZBLCWBSVQJVKY-OAHLLOKOSA-N 1 1 399.447 3.562 20 5 GHBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C[C@H]1C ZINC000611088447 859599849 /nfs/dbraw/zinc/59/98/49/859599849.db2.gz WZBLCWBSVQJVKY-OAHLLOKOSA-N 1 1 399.447 3.562 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117757565 859611613 /nfs/dbraw/zinc/61/16/13/859611613.db2.gz XUSWOGVNTIUKEJ-UHFFFAOYSA-N 1 1 389.883 3.947 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611222525 859656325 /nfs/dbraw/zinc/65/63/25/859656325.db2.gz UMDSSNBALXTUKV-UHFFFAOYSA-N 1 1 387.399 3.567 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCC1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000552055021 859669661 /nfs/dbraw/zinc/66/96/61/859669661.db2.gz XKROKWBICWHZGX-OAQYLSRUSA-N 1 1 376.460 3.812 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611299590 859691131 /nfs/dbraw/zinc/69/11/31/859691131.db2.gz KAAQIFXPIMQBDR-ZIAGYGMSSA-N 1 1 377.510 3.794 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611299590 859691133 /nfs/dbraw/zinc/69/11/33/859691133.db2.gz KAAQIFXPIMQBDR-ZIAGYGMSSA-N 1 1 377.510 3.794 20 5 GHBDMO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543459167 859777882 /nfs/dbraw/zinc/77/78/82/859777882.db2.gz QRQURJLUJPRQTP-QAPCUYQASA-N 1 1 385.439 3.570 20 5 GHBDMO CCC[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171477 859862184 /nfs/dbraw/zinc/86/21/84/859862184.db2.gz NKWYHVPMKDKERV-VXKWHMMOSA-N 1 1 383.492 3.663 20 5 GHBDMO CCC[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171477 859862194 /nfs/dbraw/zinc/86/21/94/859862194.db2.gz NKWYHVPMKDKERV-VXKWHMMOSA-N 1 1 383.492 3.663 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000597861420 859876633 /nfs/dbraw/zinc/87/66/33/859876633.db2.gz UGRRIMHVFFEIGO-LBPRGKRZSA-N 1 1 385.917 3.577 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000597860037 859877052 /nfs/dbraw/zinc/87/70/52/859877052.db2.gz KNLKCVICLWPMHN-HNNXBMFYSA-N 1 1 382.464 3.507 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3CO)o2)c(Br)c1 ZINC000092455828 860051583 /nfs/dbraw/zinc/05/15/83/860051583.db2.gz KQJZQXIRJJQTQA-LBPRGKRZSA-N 1 1 381.226 3.574 20 5 GHBDMO CC(C)c1ccc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000092585612 860082574 /nfs/dbraw/zinc/08/25/74/860082574.db2.gz MWGJFTUFWUEULM-CQSZACIVSA-N 1 1 391.493 3.559 20 5 GHBDMO CC(C)c1ccc(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000092585612 860082582 /nfs/dbraw/zinc/08/25/82/860082582.db2.gz MWGJFTUFWUEULM-CQSZACIVSA-N 1 1 391.493 3.559 20 5 GHBDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000092705108 860109340 /nfs/dbraw/zinc/10/93/40/860109340.db2.gz IGVZHUZXMYWXLN-CYBMUJFWSA-N 1 1 391.855 3.999 20 5 GHBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123854644 860116929 /nfs/dbraw/zinc/11/69/29/860116929.db2.gz ALKYBNXGSSURQE-KSSFIOAISA-N 1 1 391.830 3.810 20 5 GHBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000602638895 860172643 /nfs/dbraw/zinc/17/26/43/860172643.db2.gz GWROLZWSRYKPBU-UHFFFAOYSA-N 1 1 395.385 3.504 20 5 GHBDMO COc1cc(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])cc1OC ZINC000093365018 860257325 /nfs/dbraw/zinc/25/73/25/860257325.db2.gz NRAIXXPEVMKGOL-CQSZACIVSA-N 1 1 377.466 3.886 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])cc1OC ZINC000093365018 860257336 /nfs/dbraw/zinc/25/73/36/860257336.db2.gz NRAIXXPEVMKGOL-CQSZACIVSA-N 1 1 377.466 3.886 20 5 GHBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000598397935 860280309 /nfs/dbraw/zinc/28/03/09/860280309.db2.gz WUIAHUWTGFQIQK-KRWDZBQOSA-N 1 1 397.450 3.766 20 5 GHBDMO Cn1cc(C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)c([N+](=O)[O-])n1 ZINC000602812344 860293662 /nfs/dbraw/zinc/29/36/62/860293662.db2.gz PHGNYRAIAPJVQT-OAHLLOKOSA-N 1 1 397.248 3.861 20 5 GHBDMO COc1cc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000093607757 860314072 /nfs/dbraw/zinc/31/40/72/860314072.db2.gz AWJKQXRBXGVOLO-UHFFFAOYSA-N 1 1 385.464 3.997 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154942224 860337513 /nfs/dbraw/zinc/33/75/13/860337513.db2.gz JIYIKGXHYIZUCS-GOSISDBHSA-N 1 1 382.464 3.808 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)c([N+](=O)[O-])cc1F ZINC000602888113 860338892 /nfs/dbraw/zinc/33/88/92/860338892.db2.gz PEUFTUPUWIOTTB-AWEZNQCLSA-N 1 1 382.395 3.675 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2CSC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093761092 860345445 /nfs/dbraw/zinc/34/54/45/860345445.db2.gz ABMYBGUYCCEHAV-GFCCVEGCSA-N 1 1 394.415 3.872 20 5 GHBDMO COCCC[N@@H+]1Cc2cccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000727977867 860347265 /nfs/dbraw/zinc/34/72/65/860347265.db2.gz AAXOMMUBQVDJGN-UHFFFAOYSA-N 1 1 386.477 3.756 20 5 GHBDMO COCCC[N@H+]1Cc2cccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000727977867 860347277 /nfs/dbraw/zinc/34/72/77/860347277.db2.gz AAXOMMUBQVDJGN-UHFFFAOYSA-N 1 1 386.477 3.756 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155036697 860371958 /nfs/dbraw/zinc/37/19/58/860371958.db2.gz JCZNJPGRNLKYPH-WBVHZDCISA-N 1 1 398.463 3.507 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155036697 860371967 /nfs/dbraw/zinc/37/19/67/860371967.db2.gz JCZNJPGRNLKYPH-WBVHZDCISA-N 1 1 398.463 3.507 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000598557890 860394188 /nfs/dbraw/zinc/39/41/88/860394188.db2.gz NKJBGSPVMZQZKA-QGZVFWFLSA-N 1 1 394.475 3.509 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000301298001 860444021 /nfs/dbraw/zinc/44/40/21/860444021.db2.gz YUXXLWZGRPHMHS-UHFFFAOYSA-N 1 1 375.498 3.641 20 5 GHBDMO Cc1cccc(N2CCC(Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)[nH+]1 ZINC000301399137 860469922 /nfs/dbraw/zinc/46/99/22/860469922.db2.gz OVXPXELTHUZALW-UHFFFAOYSA-N 1 1 378.379 3.981 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000124753072 860488243 /nfs/dbraw/zinc/48/82/43/860488243.db2.gz VPXOCSCYVNOKJY-YJBOKZPZSA-N 1 1 382.464 3.893 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000603477899 860738056 /nfs/dbraw/zinc/73/80/56/860738056.db2.gz IQCVVEAGNHVFFF-UHFFFAOYSA-N 1 1 388.512 3.579 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125774787 860775454 /nfs/dbraw/zinc/77/54/54/860775454.db2.gz UNDDJUFVVUCVII-QGZVFWFLSA-N 1 1 397.475 3.646 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000593695919 860914503 /nfs/dbraw/zinc/91/45/03/860914503.db2.gz WUBDPYZBGDTQHF-AWEZNQCLSA-N 1 1 396.312 3.776 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000593695919 860914514 /nfs/dbraw/zinc/91/45/14/860914514.db2.gz WUBDPYZBGDTQHF-AWEZNQCLSA-N 1 1 396.312 3.776 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000603643457 860943901 /nfs/dbraw/zinc/94/39/01/860943901.db2.gz QVFHKWIMYGZYCM-QGZVFWFLSA-N 1 1 376.844 3.981 20 5 GHBDMO CNc1ccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000603664223 861016333 /nfs/dbraw/zinc/01/63/33/861016333.db2.gz QCUXOWOEZGVFDW-INIZCTEOSA-N 1 1 396.491 3.941 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000481327025 861069217 /nfs/dbraw/zinc/06/92/17/861069217.db2.gz XZQVLUALPBPVLX-RTBURBONSA-N 1 1 381.432 3.744 20 5 GHBDMO CC1(C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1Cc1ccccc1 ZINC000609192565 881612654 /nfs/dbraw/zinc/61/26/54/881612654.db2.gz QEXXHTLFRPTUDB-UHFFFAOYSA-N 1 1 392.459 3.813 20 5 GHBDMO C[C@@]1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCC[N@H+]1Cc1ccccc1 ZINC000428326542 863390502 /nfs/dbraw/zinc/39/05/02/863390502.db2.gz OOXICXAPEVYPQK-QFIPXVFZSA-N 1 1 392.459 3.861 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](c4nccc(C(F)(F)F)n4)C3)c2c1 ZINC000896903786 863525317 /nfs/dbraw/zinc/52/53/17/863525317.db2.gz MKQIYPHUHKAPHS-LLVKDONJSA-N 1 1 389.337 3.946 20 5 GHBDMO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000444241135 863741941 /nfs/dbraw/zinc/74/19/41/863741941.db2.gz JDMDRYBYLQAXIN-UHFFFAOYSA-N 1 1 389.499 3.772 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000137467644 863980021 /nfs/dbraw/zinc/98/00/21/863980021.db2.gz FSPVQHOCJWSMBJ-RHSMWYFYSA-N 1 1 387.867 3.570 20 5 GHBDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000734145537 864033746 /nfs/dbraw/zinc/03/37/46/864033746.db2.gz LSNHSDPSRFEKKL-IBGZPJMESA-N 1 1 377.448 3.826 20 5 GHBDMO C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000475128502 864267464 /nfs/dbraw/zinc/26/74/64/864267464.db2.gz IKROHYRQUJPGMP-UZLBHIALSA-N 1 1 382.464 3.572 20 5 GHBDMO Cc1cc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c(N)c([N+](=O)[O-])c1 ZINC000072097696 864482507 /nfs/dbraw/zinc/48/25/07/864482507.db2.gz UNIUBZGYTOTLSJ-MRXNPFEDSA-N 1 1 396.491 3.790 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475286505 864715231 /nfs/dbraw/zinc/71/52/31/864715231.db2.gz QIUNDMWHRKSYFM-INIZCTEOSA-N 1 1 392.374 3.545 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475286505 864715240 /nfs/dbraw/zinc/71/52/40/864715240.db2.gz QIUNDMWHRKSYFM-INIZCTEOSA-N 1 1 392.374 3.545 20 5 GHBDMO COc1ccccc1C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735491167 864812892 /nfs/dbraw/zinc/81/28/92/864812892.db2.gz BDBALDPJXQZKBN-UHFFFAOYSA-N 1 1 375.856 3.575 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](c3ccc(C)cc3C)C2)cc1[N+](=O)[O-] ZINC000475346716 864834956 /nfs/dbraw/zinc/83/49/56/864834956.db2.gz HQFALHUGTOZMQP-GOSISDBHSA-N 1 1 398.459 3.753 20 5 GHBDMO CC[N@@H+](CCCO)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000537631978 881810176 /nfs/dbraw/zinc/81/01/76/881810176.db2.gz IIDJNCOUEQPKLC-UHFFFAOYSA-N 1 1 380.448 3.652 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000063549467 864939772 /nfs/dbraw/zinc/93/97/72/864939772.db2.gz KHPYPDORUPVBHT-SFHVURJKSA-N 1 1 397.475 3.948 20 5 GHBDMO C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000184794762 864947036 /nfs/dbraw/zinc/94/70/36/864947036.db2.gz ABCFGMLMCATOJN-UHFFFAOYSA-N 1 1 377.510 3.655 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245473 865617212 /nfs/dbraw/zinc/61/72/12/865617212.db2.gz DBDAOQHQWOWJKN-UHFFFAOYSA-N 1 1 387.392 3.555 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](Cc2cccc(F)c2)C(C)C)cc1[N+](=O)[O-] ZINC000475551532 866242875 /nfs/dbraw/zinc/24/28/75/866242875.db2.gz KEYBIYDARHZBNH-UHFFFAOYSA-N 1 1 390.411 3.696 20 5 GHBDMO C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000456338036 866498879 /nfs/dbraw/zinc/49/88/79/866498879.db2.gz NZNQWXQXKIUMRY-INIZCTEOSA-N 1 1 392.459 3.670 20 5 GHBDMO CN(C)c1nccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)n1 ZINC000543710549 882022396 /nfs/dbraw/zinc/02/23/96/882022396.db2.gz CDXHGJJMPZMUNY-UHFFFAOYSA-N 1 1 397.410 3.672 20 5 GHBDMO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440489679 866961257 /nfs/dbraw/zinc/96/12/57/866961257.db2.gz DIEFDZMZFALXDW-AWEZNQCLSA-N 1 1 385.449 3.701 20 5 GHBDMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440489679 866961272 /nfs/dbraw/zinc/96/12/72/866961272.db2.gz DIEFDZMZFALXDW-AWEZNQCLSA-N 1 1 385.449 3.701 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)cc1)C(C)C ZINC000195309176 882043453 /nfs/dbraw/zinc/04/34/53/882043453.db2.gz SQWPOMNTMOUFQF-UHFFFAOYSA-N 1 1 385.464 3.764 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC(OCC4CCCCC4)CC3)n2)cc1 ZINC000742170680 867095378 /nfs/dbraw/zinc/09/53/78/867095378.db2.gz WTFIVZDZNHEPHL-UHFFFAOYSA-N 1 1 399.495 3.872 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742149728 867103175 /nfs/dbraw/zinc/10/31/75/867103175.db2.gz PHHZQCPLQPZPPR-SJLPKXTDSA-N 1 1 377.448 3.997 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC000742155926 867108257 /nfs/dbraw/zinc/10/82/57/867108257.db2.gz OGUNAQSRLBCOBP-QGZVFWFLSA-N 1 1 380.448 3.865 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000742155205 867110504 /nfs/dbraw/zinc/11/05/04/867110504.db2.gz HMDSSCWHIPVREF-KRWDZBQOSA-N 1 1 380.448 3.865 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1N1CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)CCN2 ZINC000553332635 867197785 /nfs/dbraw/zinc/19/77/85/867197785.db2.gz KYMSGHCSTXEEMZ-QFIPXVFZSA-N 1 1 378.476 3.665 20 5 GHBDMO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000742419712 867285466 /nfs/dbraw/zinc/28/54/66/867285466.db2.gz MHKHGTSLURQHLV-AWEZNQCLSA-N 1 1 385.855 3.779 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000523488140 867389316 /nfs/dbraw/zinc/38/93/16/867389316.db2.gz SEVQJYSRFYTGLG-ZWKOTPCHSA-N 1 1 387.524 3.985 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000743035371 867769224 /nfs/dbraw/zinc/76/92/24/867769224.db2.gz AZJJXONTGGPQSF-KRWDZBQOSA-N 1 1 384.505 3.746 20 5 GHBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128281 868769170 /nfs/dbraw/zinc/76/91/70/868769170.db2.gz GUAZSCQOPNJNCY-GZBFAFLISA-N 1 1 397.928 3.529 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c([N+](=O)[O-])cc1OC ZINC000793617728 882335142 /nfs/dbraw/zinc/33/51/42/882335142.db2.gz RWCNXZMWFYEGQR-LSDHHAIUSA-N 1 1 375.252 3.628 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c([N+](=O)[O-])cc1OC ZINC000793617728 882335157 /nfs/dbraw/zinc/33/51/57/882335157.db2.gz RWCNXZMWFYEGQR-LSDHHAIUSA-N 1 1 375.252 3.628 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(Cl)c1 ZINC000525373551 870572468 /nfs/dbraw/zinc/57/24/68/870572468.db2.gz FDTSRGIKFVBLMF-CRAIPNDOSA-N 1 1 375.856 3.543 20 5 GHBDMO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000766439340 870768933 /nfs/dbraw/zinc/76/89/33/870768933.db2.gz BOVYMMPMCFYIAA-CVEARBPZSA-N 1 1 394.475 3.579 20 5 GHBDMO CSc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001192929094 870793974 /nfs/dbraw/zinc/79/39/74/870793974.db2.gz MRAJMZHPGQSQNH-SFHVURJKSA-N 1 1 388.489 3.721 20 5 GHBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000153429659 871050281 /nfs/dbraw/zinc/05/02/81/871050281.db2.gz QYAHNLYPLJERGM-CQSZACIVSA-N 1 1 379.888 3.719 20 5 GHBDMO COc1ccc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001168992563 871074042 /nfs/dbraw/zinc/07/40/42/871074042.db2.gz FTVPGGYHRAKDRA-YPGOJHLTSA-N 1 1 383.492 3.850 20 5 GHBDMO COc1ccc(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001168992563 871074081 /nfs/dbraw/zinc/07/40/81/871074081.db2.gz FTVPGGYHRAKDRA-YPGOJHLTSA-N 1 1 383.492 3.850 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011918 871096552 /nfs/dbraw/zinc/09/65/52/871096552.db2.gz NJVAEXVENJLZNE-FUHIMQAGSA-N 1 1 381.517 3.687 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CN(C)c2cc(C)c([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C)c1 ZINC000461936982 871313107 /nfs/dbraw/zinc/31/31/07/871313107.db2.gz SEVZBKSCECFQQV-MGPUTAFESA-N 1 1 389.475 3.685 20 5 GHBDMO C[C@H](c1ccsc1)[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001169539446 871615473 /nfs/dbraw/zinc/61/54/73/871615473.db2.gz MVZFSTKCPKZWCJ-MRXNPFEDSA-N 1 1 375.494 3.804 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000618469917 871654420 /nfs/dbraw/zinc/65/44/20/871654420.db2.gz OTYGEZFORLMGKZ-XUVXKRRUSA-N 1 1 393.487 3.934 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000462156650 871709265 /nfs/dbraw/zinc/70/92/65/871709265.db2.gz DHUSXKYDNKLTBD-UZLBHIALSA-N 1 1 381.476 3.509 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000618571808 871738598 /nfs/dbraw/zinc/73/85/98/871738598.db2.gz ZZZCIVSCTVOEQU-NUZGMZIFSA-N 1 1 381.476 3.759 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000618571808 871738610 /nfs/dbraw/zinc/73/86/10/871738610.db2.gz ZZZCIVSCTVOEQU-NUZGMZIFSA-N 1 1 381.476 3.759 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000618571808 871738620 /nfs/dbraw/zinc/73/86/20/871738620.db2.gz ZZZCIVSCTVOEQU-NUZGMZIFSA-N 1 1 381.476 3.759 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000462190729 871757756 /nfs/dbraw/zinc/75/77/56/871757756.db2.gz QLOLXYNCZSFUED-QRWLVFNGSA-N 1 1 399.466 3.648 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)nc2c1 ZINC000447685288 872162901 /nfs/dbraw/zinc/16/29/01/872162901.db2.gz JSKNMJFUCJHBEX-LAUBAEHRSA-N 1 1 391.475 3.962 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c1 ZINC001195713625 872602399 /nfs/dbraw/zinc/60/23/99/872602399.db2.gz XLEIVLVNHNYABN-NJDAHSKKSA-N 1 1 396.443 3.876 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c1 ZINC001195713625 872602404 /nfs/dbraw/zinc/60/24/04/872602404.db2.gz XLEIVLVNHNYABN-NJDAHSKKSA-N 1 1 396.443 3.876 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H]2CCCC[C@H]12 ZINC001195902987 872744792 /nfs/dbraw/zinc/74/47/92/872744792.db2.gz QMHXPPINQMYEBI-GUDVDZBRSA-N 1 1 390.480 3.936 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742150437 872805590 /nfs/dbraw/zinc/80/55/90/872805590.db2.gz YRSMYFIETHVIOM-OAQYLSRUSA-N 1 1 377.448 3.865 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742150437 872805605 /nfs/dbraw/zinc/80/56/05/872805605.db2.gz YRSMYFIETHVIOM-OAQYLSRUSA-N 1 1 377.448 3.865 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000463956082 872948342 /nfs/dbraw/zinc/94/83/42/872948342.db2.gz UPJNVLQACLXVCX-AWEZNQCLSA-N 1 1 388.493 3.841 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000463956082 872948356 /nfs/dbraw/zinc/94/83/56/872948356.db2.gz UPJNVLQACLXVCX-AWEZNQCLSA-N 1 1 388.493 3.841 20 5 GHBDMO Cc1c(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000478454188 873013499 /nfs/dbraw/zinc/01/34/99/873013499.db2.gz DKDIPZQPBAFIKU-SFHVURJKSA-N 1 1 390.871 3.659 20 5 GHBDMO COc1cc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc([N+](=O)[O-])c1C ZINC000478494810 873097319 /nfs/dbraw/zinc/09/73/19/873097319.db2.gz VDMWEVFVFZARLP-AWEZNQCLSA-N 1 1 394.431 3.897 20 5 GHBDMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000541583373 873871831 /nfs/dbraw/zinc/87/18/31/873871831.db2.gz RAIVSBYBAMWZDN-SJORKVTESA-N 1 1 399.466 3.960 20 5 GHBDMO COc1cc(C[NH+]2CCC(CCCn3ccnc3)CC2)c([N+](=O)[O-])cc1F ZINC000464504091 873992410 /nfs/dbraw/zinc/99/24/10/873992410.db2.gz ZQSFODDWUYIFGY-UHFFFAOYSA-N 1 1 376.432 3.631 20 5 GHBDMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769421424 874038158 /nfs/dbraw/zinc/03/81/58/874038158.db2.gz BSBKJWIVXCJFGI-OWWQLCIYSA-N 1 1 375.469 3.843 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000769504633 874112993 /nfs/dbraw/zinc/11/29/93/874112993.db2.gz XDEBPPCLYJAXHI-UHFFFAOYSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000464734737 874371031 /nfs/dbraw/zinc/37/10/31/874371031.db2.gz RHNCPGUBNFIZQK-ACRUOGEOSA-N 1 1 390.528 3.756 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1Br ZINC000770374963 874616132 /nfs/dbraw/zinc/61/61/32/874616132.db2.gz OYSRHYGPHPMVKF-PBHICJAKSA-N 1 1 394.313 3.806 20 5 GHBDMO COC(=O)C[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccnc1 ZINC001198892059 874703017 /nfs/dbraw/zinc/70/30/17/874703017.db2.gz SZALACZJYWKIFF-KRWDZBQOSA-N 1 1 397.353 3.577 20 5 GHBDMO CC[N@H+](CCC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)CC1CC1 ZINC000770685821 874822477 /nfs/dbraw/zinc/82/24/77/874822477.db2.gz MGBOYZOEOBMDLY-UHFFFAOYSA-N 1 1 385.512 3.736 20 5 GHBDMO CC[N@@H+](CCC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)CC1CC1 ZINC000770685821 874822489 /nfs/dbraw/zinc/82/24/89/874822489.db2.gz MGBOYZOEOBMDLY-UHFFFAOYSA-N 1 1 385.512 3.736 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000449618171 875135427 /nfs/dbraw/zinc/13/54/27/875135427.db2.gz KJBJCJKZHQOJJR-DBXWQHBBSA-N 1 1 392.459 3.962 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000542209275 875185999 /nfs/dbraw/zinc/18/59/99/875185999.db2.gz AHDCRVFLGYRECW-IAGOWNOFSA-N 1 1 376.840 3.825 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000542232330 875191706 /nfs/dbraw/zinc/19/17/06/875191706.db2.gz YNQOCHUJALTRJZ-WMZOPIPTSA-N 1 1 399.516 3.856 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)c1 ZINC000465197259 875307360 /nfs/dbraw/zinc/30/73/60/875307360.db2.gz VFHBIIJAMXQCPF-INIZCTEOSA-N 1 1 383.448 3.876 20 5 GHBDMO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000491368185 875627163 /nfs/dbraw/zinc/62/71/63/875627163.db2.gz PLVMRILIQUQTSN-FUHWJXTLSA-N 1 1 382.464 3.935 20 5 GHBDMO CC[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000029911341 875663756 /nfs/dbraw/zinc/66/37/56/875663756.db2.gz CTPZMUAMIIKPAZ-QGZVFWFLSA-N 1 1 399.516 3.883 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000772155355 875751911 /nfs/dbraw/zinc/75/19/11/875751911.db2.gz JKBUPCZHYGAMEA-UHFFFAOYSA-N 1 1 388.855 3.561 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000449980415 875753117 /nfs/dbraw/zinc/75/31/17/875753117.db2.gz JNSZSDULQPPCKY-CQSZACIVSA-N 1 1 385.386 3.608 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000030268910 875949150 /nfs/dbraw/zinc/94/91/50/875949150.db2.gz ZJUAWWGSYZFZDH-HNNXBMFYSA-N 1 1 389.427 3.770 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000443849860 876024432 /nfs/dbraw/zinc/02/44/32/876024432.db2.gz FHZJYCUDRFHACF-IERDGZPVSA-N 1 1 392.459 3.650 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000443849862 876037425 /nfs/dbraw/zinc/03/74/25/876037425.db2.gz FHZJYCUDRFHACF-KKSFZXQISA-N 1 1 392.459 3.650 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000450280395 876212738 /nfs/dbraw/zinc/21/27/38/876212738.db2.gz YFRGAEZHBOWBOF-DOTOQJQBSA-N 1 1 393.365 3.789 20 5 GHBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450385254 876361220 /nfs/dbraw/zinc/36/12/20/876361220.db2.gz CSASXXUTWPGUIX-CQSZACIVSA-N 1 1 383.477 3.911 20 5 GHBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000129976238 876853708 /nfs/dbraw/zinc/85/37/08/876853708.db2.gz SNUCYYRAWMYEPM-AYHJJNSGSA-N 1 1 383.423 3.659 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1Br ZINC000786668842 876883249 /nfs/dbraw/zinc/88/32/49/876883249.db2.gz BEWGQXYRZOAIJH-UHFFFAOYSA-N 1 1 396.216 3.810 20 5 GHBDMO C[C@H](c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000610044319 877325809 /nfs/dbraw/zinc/32/58/09/877325809.db2.gz GIQSVAORFYSXMD-MRXNPFEDSA-N 1 1 397.475 3.904 20 5 GHBDMO O=C(C[C@@]12CCCC[C@@H]1C2(F)F)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035719 877359821 /nfs/dbraw/zinc/35/98/21/877359821.db2.gz WOBJBZSDGVIYQW-LNLFQRSKSA-N 1 1 394.418 3.928 20 5 GHBDMO O=C(C[C@@]12CCCC[C@@H]1C2(F)F)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035719 877359836 /nfs/dbraw/zinc/35/98/36/877359836.db2.gz WOBJBZSDGVIYQW-LNLFQRSKSA-N 1 1 394.418 3.928 20 5 GHBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492695987 877363786 /nfs/dbraw/zinc/36/37/86/877363786.db2.gz LJNWTFHVWHKDBO-WBVHZDCISA-N 1 1 377.485 3.510 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451150224 877459341 /nfs/dbraw/zinc/45/93/41/877459341.db2.gz VVCMCKFROZTKRJ-TUAOUCFPSA-N 1 1 389.374 3.593 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451150224 877459350 /nfs/dbraw/zinc/45/93/50/877459350.db2.gz VVCMCKFROZTKRJ-TUAOUCFPSA-N 1 1 389.374 3.593 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])cc3Cl)CC2)cs1 ZINC000301248361 877512761 /nfs/dbraw/zinc/51/27/61/877512761.db2.gz ACCGKTYORLFPNN-UHFFFAOYSA-N 1 1 395.916 3.986 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000787813217 877632217 /nfs/dbraw/zinc/63/22/17/877632217.db2.gz UJNOJYWBOOSJTH-BBRMVZONSA-N 1 1 388.855 3.890 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](Cc2ccccc2C)C2CC2)cc1[N+](=O)[O-] ZINC000530394497 877699326 /nfs/dbraw/zinc/69/93/26/877699326.db2.gz CRPARWZSIUNOBV-UHFFFAOYSA-N 1 1 384.432 3.620 20 5 GHBDMO C[NH+](C)[C@H]1CCOc2c(NC(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)cccc21 ZINC000451303992 877781138 /nfs/dbraw/zinc/78/11/38/877781138.db2.gz NPUKQKZOFKMHDK-SFHVURJKSA-N 1 1 397.431 3.582 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc2c(c1)OCO2 ZINC000451548763 878123859 /nfs/dbraw/zinc/12/38/59/878123859.db2.gz OIASEXZXVCWKEE-INIZCTEOSA-N 1 1 397.431 3.532 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cccc([N+](=O)[O-])c3C)C2)s1 ZINC000552004165 878144297 /nfs/dbraw/zinc/14/42/97/878144297.db2.gz YIIYSCAZYPPKDL-MRXNPFEDSA-N 1 1 387.505 3.867 20 5 GHBDMO O=C(N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000852473117 878351829 /nfs/dbraw/zinc/35/18/29/878351829.db2.gz JFUFMDIOJTTYKK-WBVHZDCISA-N 1 1 399.413 3.750 20 5 GHBDMO O=C(N1CCC[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000852473116 878352606 /nfs/dbraw/zinc/35/26/06/878352606.db2.gz JFUFMDIOJTTYKK-RDJZCZTQSA-N 1 1 399.413 3.750 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]([NH2+][C@H]2COCC2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000451809741 878499565 /nfs/dbraw/zinc/49/95/65/878499565.db2.gz NLJQSZHDILEYGN-OALUTQOASA-N 1 1 383.448 3.598 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000180206400 878649896 /nfs/dbraw/zinc/64/98/96/878649896.db2.gz LXNFPUNDAKNFSE-UHFFFAOYSA-N 1 1 385.464 3.505 20 5 GHBDMO CCc1ccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1[N+](=O)[O-] ZINC000530873262 878679629 /nfs/dbraw/zinc/67/96/29/878679629.db2.gz WBLCSZQIJXIYFM-UHFFFAOYSA-N 1 1 394.431 3.706 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000538143947 878889544 /nfs/dbraw/zinc/88/95/44/878889544.db2.gz JYCIHWLXRTXDBO-GFCCVEGCSA-N 1 1 379.363 3.794 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452121916 878969632 /nfs/dbraw/zinc/96/96/32/878969632.db2.gz HCLFTSIGDWKWCZ-DYESRHJHSA-N 1 1 397.475 3.677 20 5 GHBDMO NC(=O)c1ccc(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538216388 879032959 /nfs/dbraw/zinc/03/29/59/879032959.db2.gz XSBSBRGLGBHHSG-FQEVSTJZSA-N 1 1 391.427 3.604 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)c2c(Cl)c1 ZINC000853571656 879129612 /nfs/dbraw/zinc/12/96/12/879129612.db2.gz MMFJFPXTWUGJDJ-DYVFJYSZSA-N 1 1 378.860 3.837 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)c2c(Cl)c1 ZINC000853571656 879129623 /nfs/dbraw/zinc/12/96/23/879129623.db2.gz MMFJFPXTWUGJDJ-DYVFJYSZSA-N 1 1 378.860 3.837 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761505990 879210049 /nfs/dbraw/zinc/21/00/49/879210049.db2.gz KPVAYLQPAZODEQ-CQSZACIVSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761505990 879210059 /nfs/dbraw/zinc/21/00/59/879210059.db2.gz KPVAYLQPAZODEQ-CQSZACIVSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000180982518 879552134 /nfs/dbraw/zinc/55/21/34/879552134.db2.gz YGGAFTJQCDDALH-HNNXBMFYSA-N 1 1 379.526 3.946 20 5 GHBDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001170160757 880777986 /nfs/dbraw/zinc/77/79/86/880777986.db2.gz IQALTGRZKQHESZ-OXQOHEQNSA-N 1 1 379.460 3.957 20 5 GHBDMO COc1cc(F)cc(C[C@H](C)[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000453381518 880835886 /nfs/dbraw/zinc/83/58/86/880835886.db2.gz BCRGGVGFBGZOLA-VBKZILBWSA-N 1 1 398.438 3.786 20 5 GHBDMO COCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1c(C)nn(C)c1C ZINC000453622486 881170989 /nfs/dbraw/zinc/17/09/89/881170989.db2.gz XLHGRHFRHSGMGQ-UHFFFAOYSA-N 1 1 398.463 3.854 20 5 GHBDMO COCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1c(C)nn(C)c1C ZINC000453622486 881170994 /nfs/dbraw/zinc/17/09/94/881170994.db2.gz XLHGRHFRHSGMGQ-UHFFFAOYSA-N 1 1 398.463 3.854 20 5 GHBDMO COc1ccc(C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C2CC2)cc1 ZINC000919945902 881229466 /nfs/dbraw/zinc/22/94/66/881229466.db2.gz QZQSJGYZIYEXOG-AWEZNQCLSA-N 1 1 397.431 3.770 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C/c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000609475498 883238407 /nfs/dbraw/zinc/23/84/07/883238407.db2.gz PFVSNUMSGPXIOZ-MDZDMXLPSA-N 1 1 392.415 3.647 20 5 GHBDMO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1cccc([N+](=O)[O-])c1C ZINC000609540422 883333425 /nfs/dbraw/zinc/33/34/25/883333425.db2.gz VZCQXZFQVKHCEC-UHFFFAOYSA-N 1 1 378.375 3.747 20 5 GHBDMO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1cccc([N+](=O)[O-])c1C ZINC000609540422 883333442 /nfs/dbraw/zinc/33/34/42/883333442.db2.gz VZCQXZFQVKHCEC-UHFFFAOYSA-N 1 1 378.375 3.747 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800871 883663878 /nfs/dbraw/zinc/66/38/78/883663878.db2.gz ULCYNJRQEOOHBS-LJQANCHMSA-N 1 1 399.472 3.683 20 5 GHBDMO CCOc1c(Cl)cccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000494935178 884227606 /nfs/dbraw/zinc/22/76/06/884227606.db2.gz HJXOYOUEOXUWLB-AWEZNQCLSA-N 1 1 376.844 3.728 20 5 GHBDMO CCOc1c(Cl)cccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000494935178 884227622 /nfs/dbraw/zinc/22/76/22/884227622.db2.gz HJXOYOUEOXUWLB-AWEZNQCLSA-N 1 1 376.844 3.728 20 5 GHBDMO COc1ccc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cc1F ZINC000860104024 884329706 /nfs/dbraw/zinc/32/97/06/884329706.db2.gz FCUPUYQASKKIPA-ZDUSSCGKSA-N 1 1 375.356 3.640 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cc1F ZINC000860104024 884329721 /nfs/dbraw/zinc/32/97/21/884329721.db2.gz FCUPUYQASKKIPA-ZDUSSCGKSA-N 1 1 375.356 3.640 20 5 GHBDMO COc1ccc(-c2ccc(CN[C@H]3CC[N@H+](C4CCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000609287846 884551633 /nfs/dbraw/zinc/55/16/33/884551633.db2.gz ZYMAATVKIUFTOT-HNNXBMFYSA-N 1 1 385.464 3.970 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@H]3CCN(C4CCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000609287846 884551642 /nfs/dbraw/zinc/55/16/42/884551642.db2.gz ZYMAATVKIUFTOT-HNNXBMFYSA-N 1 1 385.464 3.970 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(Nc4ccc(F)cc4)CC3)n2)cc1 ZINC000170650872 884942024 /nfs/dbraw/zinc/94/20/24/884942024.db2.gz FGQORQZVLWDTFR-UHFFFAOYSA-N 1 1 397.410 3.860 20 5 GHBDMO CCCn1ccnc1CCC[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000762073813 885314179 /nfs/dbraw/zinc/31/41/79/885314179.db2.gz JOHKGKYISLTYNW-UHFFFAOYSA-N 1 1 382.468 3.587 20 5 GHBDMO CN(C(=O)C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000495368828 885544424 /nfs/dbraw/zinc/54/44/24/885544424.db2.gz KWSGONAHTJBTHN-UHFFFAOYSA-N 1 1 397.353 3.588 20 5 GHBDMO CN(C(=O)C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000495368828 885544440 /nfs/dbraw/zinc/54/44/40/885544440.db2.gz KWSGONAHTJBTHN-UHFFFAOYSA-N 1 1 397.353 3.588 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](Cc2cccs2)C(C)C)c([N+](=O)[O-])c1 ZINC000532483677 885810391 /nfs/dbraw/zinc/81/03/91/885810391.db2.gz KZOGEHSEORABEA-UHFFFAOYSA-N 1 1 377.466 3.904 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C(C)C)c([N+](=O)[O-])c1 ZINC000532483677 885810395 /nfs/dbraw/zinc/81/03/95/885810395.db2.gz KZOGEHSEORABEA-UHFFFAOYSA-N 1 1 377.466 3.904 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000915170158 885934464 /nfs/dbraw/zinc/93/44/64/885934464.db2.gz JDJPTAFJAUIWSE-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCCC2 ZINC000532580687 886173324 /nfs/dbraw/zinc/17/33/24/886173324.db2.gz SMMYKTBLVRNKRM-MSOLQXFVSA-N 1 1 389.496 3.901 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCCC2 ZINC000532580687 886173329 /nfs/dbraw/zinc/17/33/29/886173329.db2.gz SMMYKTBLVRNKRM-MSOLQXFVSA-N 1 1 389.496 3.901 20 5 GHBDMO Cc1ccccc1O[C@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000556867704 886384527 /nfs/dbraw/zinc/38/45/27/886384527.db2.gz IKKNPHKXOPYZIP-UZLBHIALSA-N 1 1 380.448 3.783 20 5 GHBDMO C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000556870333 886424242 /nfs/dbraw/zinc/42/42/42/886424242.db2.gz NAPHJSKDPAGYPI-DYESRHJHSA-N 1 1 393.491 3.528 20 5 GHBDMO CSc1ccc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000556879190 886470846 /nfs/dbraw/zinc/47/08/46/886470846.db2.gz FAKKAMCTOGMBBC-LJQANCHMSA-N 1 1 382.489 3.972 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000747530242 886766078 /nfs/dbraw/zinc/76/60/78/886766078.db2.gz SMMPVMBNYUJLCG-ZDUSSCGKSA-N 1 1 381.448 3.859 20 5 GHBDMO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CCCC2(CC2)CC1 ZINC000863331767 887035408 /nfs/dbraw/zinc/03/54/08/887035408.db2.gz VCAMOVCUOBOLDC-UHFFFAOYSA-N 1 1 394.269 3.537 20 5 GHBDMO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CCCC2(CC2)CC1 ZINC000863331767 887035421 /nfs/dbraw/zinc/03/54/21/887035421.db2.gz VCAMOVCUOBOLDC-UHFFFAOYSA-N 1 1 394.269 3.537 20 5 GHBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC001131753683 887523151 /nfs/dbraw/zinc/52/31/51/887523151.db2.gz KARICUWADWHNPT-SFHVURJKSA-N 1 1 397.450 3.766 20 5 GHBDMO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272493684 887584637 /nfs/dbraw/zinc/58/46/37/887584637.db2.gz FGVJYVVPGFDBDP-UAOJZALGSA-N 1 1 398.438 3.659 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272545637 887711479 /nfs/dbraw/zinc/71/14/79/887711479.db2.gz QAHFPFOOZAFOCV-RXVVDRJESA-N 1 1 391.475 3.676 20 5 GHBDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809770309 887758185 /nfs/dbraw/zinc/75/81/85/887758185.db2.gz VYNCZRSRAKKLHD-QRWLVFNGSA-N 1 1 390.867 3.790 20 5 GHBDMO COc1cc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000272573582 887838331 /nfs/dbraw/zinc/83/83/31/887838331.db2.gz WQMGIYWDZHIYQG-FQEVSTJZSA-N 1 1 380.448 3.567 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCCO[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000609233277 888098738 /nfs/dbraw/zinc/09/87/38/888098738.db2.gz CHPGAIVCSCUJFD-FQEVSTJZSA-N 1 1 383.448 3.695 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000139187180 888457944 /nfs/dbraw/zinc/45/79/44/888457944.db2.gz GMSKLAXVEJSDCG-HKUYNNGSSA-N 1 1 397.475 3.624 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001132307115 888580507 /nfs/dbraw/zinc/58/05/07/888580507.db2.gz LIWNRQIEAYJDGX-WMZOPIPTSA-N 1 1 399.516 3.571 20 5 GHBDMO COc1ccccc1[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+](C)C ZINC000032694490 888705003 /nfs/dbraw/zinc/70/50/03/888705003.db2.gz YHWOWPMDJDIEHB-MRXNPFEDSA-N 1 1 399.472 3.851 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000796110743 913286415 /nfs/dbraw/zinc/28/64/15/913286415.db2.gz BLWPDJJDOKTVGQ-UHFFFAOYSA-N 1 1 377.485 3.716 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000027334571 888972916 /nfs/dbraw/zinc/97/29/16/888972916.db2.gz NJPOSJQDQUIMKN-OAHLLOKOSA-N 1 1 385.445 3.969 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000532821304 889013790 /nfs/dbraw/zinc/01/37/90/889013790.db2.gz LHCKWUBNRXZNOU-UHFFFAOYSA-N 1 1 389.883 3.818 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCO)c1ccccc1Br ZINC000544597594 889170027 /nfs/dbraw/zinc/17/00/27/889170027.db2.gz MWZXDVYLNCJLKF-QGZVFWFLSA-N 1 1 379.254 3.879 20 5 GHBDMO C[C@]([NH3+])(C(=O)Nc1ccccc1CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867952640 889235466 /nfs/dbraw/zinc/23/54/66/889235466.db2.gz YTSAEVVHMAPXMX-QGZVFWFLSA-N 1 1 381.354 3.902 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454619232 889390526 /nfs/dbraw/zinc/39/05/26/889390526.db2.gz NXPKXQYDTVEIMF-FIKGOQFSSA-N 1 1 396.491 3.866 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(F)cc3Br)C2)nc1 ZINC000533058135 889645924 /nfs/dbraw/zinc/64/59/24/889645924.db2.gz DNXAKSNBTGIDPN-ZDUSSCGKSA-N 1 1 395.232 3.578 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(F)cc3Br)C2)nc1 ZINC000533058135 889645931 /nfs/dbraw/zinc/64/59/31/889645931.db2.gz DNXAKSNBTGIDPN-ZDUSSCGKSA-N 1 1 395.232 3.578 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c2ccc([N+](=O)[O-])cc12 ZINC000811782005 889955520 /nfs/dbraw/zinc/95/55/20/889955520.db2.gz KPACKVKGGULNSV-OAQYLSRUSA-N 1 1 378.432 3.680 20 5 GHBDMO O=C(C[N@H+](Cc1ccoc1)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533293298 890210374 /nfs/dbraw/zinc/21/03/74/890210374.db2.gz GCIJSRKJVIBUCF-UHFFFAOYSA-N 1 1 383.448 3.912 20 5 GHBDMO O=C(C[N@@H+](Cc1ccoc1)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533293298 890210393 /nfs/dbraw/zinc/21/03/93/890210393.db2.gz GCIJSRKJVIBUCF-UHFFFAOYSA-N 1 1 383.448 3.912 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000154206685 890280167 /nfs/dbraw/zinc/28/01/67/890280167.db2.gz TUILISWWFAAYBH-SFHVURJKSA-N 1 1 399.274 3.820 20 5 GHBDMO COc1ccc2c(c1)CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000533407909 890476810 /nfs/dbraw/zinc/47/68/10/890476810.db2.gz HCAYNTANJOJOCQ-UHFFFAOYSA-N 1 1 383.448 3.689 20 5 GHBDMO O=[N+]([O-])c1cc(Br)cnc1NCCC[N@H+]1CCc2ccccc2C1 ZINC001184819133 913459357 /nfs/dbraw/zinc/45/93/57/913459357.db2.gz AHZWIRGIBMHYAV-UHFFFAOYSA-N 1 1 391.269 3.613 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000533442527 890597888 /nfs/dbraw/zinc/59/78/88/890597888.db2.gz OMCHTFWYXFYITG-JOCHJYFZSA-N 1 1 395.459 3.947 20 5 GHBDMO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)c2cc1C ZINC000917119372 891300829 /nfs/dbraw/zinc/30/08/29/891300829.db2.gz AUDGNCCOSOBNRH-UHFFFAOYSA-N 1 1 393.443 3.640 20 5 GHBDMO Cc1cccc2c(CC(=O)O[C@H]3CC[N@H+](Cc4cccc([N+](=O)[O-])c4)C3)c[nH]c21 ZINC000813170913 891328692 /nfs/dbraw/zinc/32/86/92/891328692.db2.gz NEEMAMBMGNZZTI-IBGZPJMESA-N 1 1 393.443 3.745 20 5 GHBDMO Cc1cccc2c(CC(=O)O[C@H]3CC[N@@H+](Cc4cccc([N+](=O)[O-])c4)C3)c[nH]c21 ZINC000813170913 891328705 /nfs/dbraw/zinc/32/87/05/891328705.db2.gz NEEMAMBMGNZZTI-IBGZPJMESA-N 1 1 393.443 3.745 20 5 GHBDMO COc1ccc(CCCC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813174385 891337829 /nfs/dbraw/zinc/33/78/29/891337829.db2.gz QRJUDCLYMNILJB-NRFANRHFSA-N 1 1 398.459 3.744 20 5 GHBDMO COc1ccc(CCCC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813174385 891337846 /nfs/dbraw/zinc/33/78/46/891337846.db2.gz QRJUDCLYMNILJB-NRFANRHFSA-N 1 1 398.459 3.744 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C12CC(c3ccccc3)(C1)C2 ZINC000813174279 891338372 /nfs/dbraw/zinc/33/83/72/891338372.db2.gz VPUIULIXUYNCMB-RBKXMNCYSA-N 1 1 392.455 3.834 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C12CC(c3ccccc3)(C1)C2 ZINC000813174279 891338384 /nfs/dbraw/zinc/33/83/84/891338384.db2.gz VPUIULIXUYNCMB-RBKXMNCYSA-N 1 1 392.455 3.834 20 5 GHBDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000497406381 891521297 /nfs/dbraw/zinc/52/12/97/891521297.db2.gz FVPOOVNBKGLFBR-HXUWFJFHSA-N 1 1 385.420 3.591 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000179241205 891675412 /nfs/dbraw/zinc/67/54/12/891675412.db2.gz HVOYZBFBIKTERR-OAHLLOKOSA-N 1 1 375.469 3.816 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)c1 ZINC000154439473 892179363 /nfs/dbraw/zinc/17/93/63/892179363.db2.gz MXNYDKUIPOWCJE-UXHICEINSA-N 1 1 398.484 3.926 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000533830587 893192783 /nfs/dbraw/zinc/19/27/83/893192783.db2.gz HCXYTQDOUASOSP-SFHVURJKSA-N 1 1 397.475 3.736 20 5 GHBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000876824804 893349940 /nfs/dbraw/zinc/34/99/40/893349940.db2.gz FDLGGPOPJRAUON-UHFFFAOYSA-N 1 1 380.452 3.975 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000815112236 893443866 /nfs/dbraw/zinc/44/38/66/893443866.db2.gz ZNULCCNZVNEIGF-DLBZAZTESA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000815112236 893443873 /nfs/dbraw/zinc/44/38/73/893443873.db2.gz ZNULCCNZVNEIGF-DLBZAZTESA-N 1 1 392.253 3.623 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778231147 893487646 /nfs/dbraw/zinc/48/76/46/893487646.db2.gz DLOJHRZFCDBHNM-GASCZTMLSA-N 1 1 383.439 3.561 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822774 893834531 /nfs/dbraw/zinc/83/45/31/893834531.db2.gz ILNRSGCEKRWBON-MLGOLLRUSA-N 1 1 398.385 3.537 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459650209 893982443 /nfs/dbraw/zinc/98/24/43/893982443.db2.gz XACTUXKEAQHRSP-INIZCTEOSA-N 1 1 388.386 3.784 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459650211 893983243 /nfs/dbraw/zinc/98/32/43/893983243.db2.gz XACTUXKEAQHRSP-MRXNPFEDSA-N 1 1 388.386 3.784 20 5 GHBDMO CCC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000878125347 894037577 /nfs/dbraw/zinc/03/75/77/894037577.db2.gz LATDTRMYXGGIFD-OLMNPRSZSA-N 1 1 386.452 3.670 20 5 GHBDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878134348 894043078 /nfs/dbraw/zinc/04/30/78/894043078.db2.gz CMPZFQGTGFRCPF-AWEZNQCLSA-N 1 1 393.875 3.604 20 5 GHBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000918571585 894047118 /nfs/dbraw/zinc/04/71/18/894047118.db2.gz FTJBWSLREMOEIO-DLBZAZTESA-N 1 1 388.512 3.578 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001135280103 894327810 /nfs/dbraw/zinc/32/78/10/894327810.db2.gz QDVQEELHYJQTJB-ZIFCJYIRSA-N 1 1 387.867 3.771 20 5 GHBDMO CC(C)[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCO1 ZINC000878658539 894491379 /nfs/dbraw/zinc/49/13/79/894491379.db2.gz YZBKUPDEPHIYRK-HNNXBMFYSA-N 1 1 380.832 3.545 20 5 GHBDMO CC(C)[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCO1 ZINC000878658539 894491381 /nfs/dbraw/zinc/49/13/81/894491381.db2.gz YZBKUPDEPHIYRK-HNNXBMFYSA-N 1 1 380.832 3.545 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000878899405 894708851 /nfs/dbraw/zinc/70/88/51/894708851.db2.gz INIDIZBVDBKRSA-UHFFFAOYSA-N 1 1 392.500 3.566 20 5 GHBDMO C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000564333446 894872954 /nfs/dbraw/zinc/87/29/54/894872954.db2.gz NCAKUDBRVNREAC-OLZOCXBDSA-N 1 1 399.413 3.996 20 5 GHBDMO Cc1c(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000564676365 895173887 /nfs/dbraw/zinc/17/38/87/895173887.db2.gz ORWDDPIFLWWYKG-WOJBJXKFSA-N 1 1 389.883 3.718 20 5 GHBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000565086486 895382871 /nfs/dbraw/zinc/38/28/71/895382871.db2.gz OWPIOMXRTCNKKK-ZDUSSCGKSA-N 1 1 388.434 3.608 20 5 GHBDMO C[N@@H+](CCCOc1ccccc1CNc1ncc([N+](=O)[O-])cn1)C1CCCC1 ZINC001185573414 913964347 /nfs/dbraw/zinc/96/43/47/913964347.db2.gz IVAUEHVWRVHFOA-UHFFFAOYSA-N 1 1 385.468 3.640 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000302810330 914009216 /nfs/dbraw/zinc/00/92/16/914009216.db2.gz KICHNBPIIAGILO-DOMZBBRYSA-N 1 1 375.450 3.829 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000302810330 914009226 /nfs/dbraw/zinc/00/92/26/914009226.db2.gz KICHNBPIIAGILO-DOMZBBRYSA-N 1 1 375.450 3.829 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001170880050 895926797 /nfs/dbraw/zinc/92/67/97/895926797.db2.gz AYVLQYCIPGNVSW-RHSMWYFYSA-N 1 1 377.485 3.886 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881277225 896276774 /nfs/dbraw/zinc/27/67/74/896276774.db2.gz DMLJPXWVACTSKW-FOIQADDNSA-N 1 1 377.448 3.963 20 5 GHBDMO C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000567137876 896905027 /nfs/dbraw/zinc/90/50/27/896905027.db2.gz YNGDILSOIZGUGL-YWZLYKJASA-N 1 1 399.466 3.791 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccccc2F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131305317 897399689 /nfs/dbraw/zinc/39/96/89/897399689.db2.gz XJOCPPIRRREJKD-UHFFFAOYSA-N 1 1 388.317 3.973 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[N@@H+](CC)C[C@H]2C)cc1OC ZINC001170997132 898717425 /nfs/dbraw/zinc/71/74/25/898717425.db2.gz GRQLEZRIXZLDPG-DLBZAZTESA-N 1 1 393.528 3.944 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823243349 898938297 /nfs/dbraw/zinc/93/82/97/898938297.db2.gz JIQGLEHZJONYQI-WMZOPIPTSA-N 1 1 378.469 3.605 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000113934604 899045832 /nfs/dbraw/zinc/04/58/32/899045832.db2.gz PMMVWZOITPNPKW-IAGOWNOFSA-N 1 1 399.495 3.731 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000823529426 899073148 /nfs/dbraw/zinc/07/31/48/899073148.db2.gz OPZVBPMWLUMWLF-INIZCTEOSA-N 1 1 377.828 3.717 20 5 GHBDMO Cn1ccnc1[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000570067806 899099988 /nfs/dbraw/zinc/09/99/88/899099988.db2.gz ZHIXZBXMIPINMP-FQEVSTJZSA-N 1 1 385.512 3.662 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001136759627 899179030 /nfs/dbraw/zinc/17/90/30/899179030.db2.gz JHUHRRGTZZFKSF-MRXNPFEDSA-N 1 1 389.496 3.575 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000823974638 899336355 /nfs/dbraw/zinc/33/63/55/899336355.db2.gz SVQDNSPKCNRSME-DOTOQJQBSA-N 1 1 397.479 3.599 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1(C)C ZINC000570609942 899435618 /nfs/dbraw/zinc/43/56/18/899435618.db2.gz GKBSMUJZTCGVEK-HZPDHXFCSA-N 1 1 388.411 3.840 20 5 GHBDMO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000156267776 899618926 /nfs/dbraw/zinc/61/89/26/899618926.db2.gz RZHPIHLPAQKQPL-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000134156604 899666985 /nfs/dbraw/zinc/66/69/85/899666985.db2.gz UXHHZLKGRRIJRK-CVEARBPZSA-N 1 1 393.484 3.599 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000571050481 899724214 /nfs/dbraw/zinc/72/42/14/899724214.db2.gz WLPKCQMWNSXNLD-UHFFFAOYSA-N 1 1 385.386 3.562 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000825030590 899943805 /nfs/dbraw/zinc/94/38/05/899943805.db2.gz OUBPRPMYRXTWFV-CJNGLKHVSA-N 1 1 398.406 3.704 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)CC1CC[NH+](C)CC1 ZINC001143359496 900221247 /nfs/dbraw/zinc/22/12/47/900221247.db2.gz MJOKLOZQPVBOQU-UHFFFAOYSA-N 1 1 392.503 3.627 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)cc1 ZINC000045799501 900427099 /nfs/dbraw/zinc/42/70/99/900427099.db2.gz ONPKXLDJCFJUQQ-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000576224277 901834376 /nfs/dbraw/zinc/83/43/76/901834376.db2.gz IKBVYIUGFOPHSF-CYBMUJFWSA-N 1 1 379.363 3.589 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000576773856 902251263 /nfs/dbraw/zinc/25/12/63/902251263.db2.gz RHXNCFRBDTXFSY-AEFFLSMTSA-N 1 1 381.476 3.652 20 5 GHBDMO Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC001274215245 903932953 /nfs/dbraw/zinc/93/29/53/903932953.db2.gz QEIZIJXZMXZILR-UHFFFAOYSA-N 1 1 375.182 3.566 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2ccccc2C1(C)C ZINC000578657212 904030486 /nfs/dbraw/zinc/03/04/86/904030486.db2.gz YYVBZRVQHMSWNZ-UHFFFAOYSA-N 1 1 383.448 3.725 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000578975905 904272697 /nfs/dbraw/zinc/27/26/97/904272697.db2.gz HZOSIUCGABSDJI-QGPMSJSTSA-N 1 1 395.887 3.592 20 5 GHBDMO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000579257823 904458843 /nfs/dbraw/zinc/45/88/43/904458843.db2.gz NXEUTJSGDDSKAW-YWZLYKJASA-N 1 1 385.439 3.570 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001172900671 905921607 /nfs/dbraw/zinc/92/16/07/905921607.db2.gz XTPNPUDRMZNOBM-KNQAVFIVSA-N 1 1 379.504 3.954 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@H]2C[C@H]21 ZINC001172903082 905924855 /nfs/dbraw/zinc/92/48/55/905924855.db2.gz DUPWPWBVYQIQEG-NZSAHSFTSA-N 1 1 387.480 3.536 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@H]2C[C@H]21 ZINC001172903082 905924864 /nfs/dbraw/zinc/92/48/64/905924864.db2.gz DUPWPWBVYQIQEG-NZSAHSFTSA-N 1 1 387.480 3.536 20 5 GHBDMO C[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172917757 905988582 /nfs/dbraw/zinc/98/85/82/905988582.db2.gz WSGKPUNEOANXKA-HKUYNNGSSA-N 1 1 389.496 3.783 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3C[C@H]4[C@H](CCC4(F)F)C3)CC2)c(F)c1 ZINC001173010530 906086251 /nfs/dbraw/zinc/08/62/51/906086251.db2.gz UMYATIWRVAVBIG-RISCZKNCSA-N 1 1 387.377 3.819 20 5 GHBDMO COCC[C@H]1CCCC[N@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173013102 906090698 /nfs/dbraw/zinc/09/06/98/906090698.db2.gz MNRHTHDGNALHHD-CQSZACIVSA-N 1 1 383.439 3.733 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1F ZINC001173183247 906264837 /nfs/dbraw/zinc/26/48/37/906264837.db2.gz XCSZTQUIPQVCMU-LSDHHAIUSA-N 1 1 379.476 3.670 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1F ZINC001173183247 906264844 /nfs/dbraw/zinc/26/48/44/906264844.db2.gz XCSZTQUIPQVCMU-LSDHHAIUSA-N 1 1 379.476 3.670 20 5 GHBDMO CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C2 ZINC001173185458 906265844 /nfs/dbraw/zinc/26/58/44/906265844.db2.gz MKAZUTMSBDGALC-SXGZJXTBSA-N 1 1 380.460 3.812 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1F ZINC001173186014 906268376 /nfs/dbraw/zinc/26/83/76/906268376.db2.gz QUUFPOKLXNMOLM-DNVCBOLYSA-N 1 1 387.455 3.662 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@H](Oc3cccnc3)C2)c1F ZINC001173189220 906269911 /nfs/dbraw/zinc/26/99/11/906269911.db2.gz JPNBFBVFZGZBNK-GOEBONIOSA-N 1 1 389.427 3.612 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1F ZINC001173192029 906274938 /nfs/dbraw/zinc/27/49/38/906274938.db2.gz HIUQLWLUHLIMMM-CJNGLKHVSA-N 1 1 392.402 3.966 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001173227620 906310916 /nfs/dbraw/zinc/31/09/16/906310916.db2.gz RKVPHQQAORWPKZ-WBVHZDCISA-N 1 1 377.485 3.763 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001173229819 906314332 /nfs/dbraw/zinc/31/43/32/906314332.db2.gz AMDBUSKUGWVFKB-HNNXBMFYSA-N 1 1 387.867 3.637 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001173236669 906346496 /nfs/dbraw/zinc/34/64/96/906346496.db2.gz DSCBAMUWZGRLQE-DNVCBOLYSA-N 1 1 385.439 3.559 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000365974961 921272683 /nfs/dbraw/zinc/27/26/83/921272683.db2.gz IYUVCKUIALBQBF-ZWKOTPCHSA-N 1 1 395.459 3.530 20 5 GHBDMO CC[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000183013362 907312851 /nfs/dbraw/zinc/31/28/51/907312851.db2.gz LHQMGGKVOOXZFT-VQTJNVASSA-N 1 1 382.464 3.608 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000183608175 907421441 /nfs/dbraw/zinc/42/14/41/907421441.db2.gz JLBVYHQKAICDDQ-DOTOQJQBSA-N 1 1 383.452 3.507 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])cc1F ZINC000184306209 907557961 /nfs/dbraw/zinc/55/79/61/907557961.db2.gz GNMYMVVCRBVSKR-GFCCVEGCSA-N 1 1 389.383 3.550 20 5 GHBDMO COCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)c1ccccc1 ZINC000299456279 921342660 /nfs/dbraw/zinc/34/26/60/921342660.db2.gz XWPXHWKZSBGFPL-OAHLLOKOSA-N 1 1 382.420 3.854 20 5 GHBDMO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)c1ccccc1 ZINC000299456279 921342672 /nfs/dbraw/zinc/34/26/72/921342672.db2.gz XWPXHWKZSBGFPL-OAHLLOKOSA-N 1 1 382.420 3.854 20 5 GHBDMO COc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC001176362679 908076395 /nfs/dbraw/zinc/07/63/95/908076395.db2.gz FPHAGSJCSNCZEZ-UHFFFAOYSA-N 1 1 376.844 3.752 20 5 GHBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC001176908808 908316378 /nfs/dbraw/zinc/31/63/78/908316378.db2.gz IDTCYXUFLCLCJP-SXLOBPIMSA-N 1 1 383.448 3.692 20 5 GHBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC001176908808 908316391 /nfs/dbraw/zinc/31/63/91/908316391.db2.gz IDTCYXUFLCLCJP-SXLOBPIMSA-N 1 1 383.448 3.692 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC001177261718 908505990 /nfs/dbraw/zinc/50/59/90/908505990.db2.gz IXVULXDKPDBRTG-UHFFFAOYSA-N 1 1 387.237 3.833 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000718021539 909079004 /nfs/dbraw/zinc/07/90/04/909079004.db2.gz WQFYXHWXBYLWOV-GOSISDBHSA-N 1 1 387.867 3.889 20 5 GHBDMO CCc1nsc(N2CCC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000245514161 909689449 /nfs/dbraw/zinc/68/94/49/909689449.db2.gz BLYPOWSRMCWGDG-CQSZACIVSA-N 1 1 375.498 3.590 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 ZINC000246210048 910172098 /nfs/dbraw/zinc/17/20/98/910172098.db2.gz CAYHKMPFIHHSQW-NHCUHLMSSA-N 1 1 398.484 3.926 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000246225846 910193203 /nfs/dbraw/zinc/19/32/03/910193203.db2.gz FGXCNZCABKTGSC-CRAIPNDOSA-N 1 1 387.505 3.843 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000246254883 910205393 /nfs/dbraw/zinc/20/53/93/910205393.db2.gz JYYIRVYTJYGBFC-BAGYTPMASA-N 1 1 384.476 3.997 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269529240 910295914 /nfs/dbraw/zinc/29/59/14/910295914.db2.gz RSZHSVIPDFJFGS-RDJZCZTQSA-N 1 1 399.495 3.566 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269529240 910295918 /nfs/dbraw/zinc/29/59/18/910295918.db2.gz RSZHSVIPDFJFGS-RDJZCZTQSA-N 1 1 399.495 3.566 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269529240 910295928 /nfs/dbraw/zinc/29/59/28/910295928.db2.gz RSZHSVIPDFJFGS-RDJZCZTQSA-N 1 1 399.495 3.566 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000274273615 911286170 /nfs/dbraw/zinc/28/61/70/911286170.db2.gz BNHOOVXNHJIAPA-NSHDSACASA-N 1 1 394.399 3.619 20 5 GHBDMO CCC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000092186807 911440807 /nfs/dbraw/zinc/44/08/07/911440807.db2.gz IDUFRKZRMHHAPD-UHFFFAOYSA-N 1 1 391.855 3.953 20 5 GHBDMO Cc1ccc2c(=O)c3cccc(CC(=O)NCC[C@H]4CCC[N@@H+]4C)c3oc2c1C ZINC001182511502 911821902 /nfs/dbraw/zinc/82/19/02/911821902.db2.gz PCTOYTZXPMYXLQ-GOSISDBHSA-N 1 1 392.499 3.706 20 5 GHBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc([N+](=O)[O-])c1C ZINC001182617832 911929532 /nfs/dbraw/zinc/92/95/32/911929532.db2.gz IGAJNRJBVHHJPE-SFHVURJKSA-N 1 1 389.496 3.686 20 5 GHBDMO Cc1ncccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000093015346 912009322 /nfs/dbraw/zinc/00/93/22/912009322.db2.gz JXASLGKJUPIPTA-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093278078 912151025 /nfs/dbraw/zinc/15/10/25/912151025.db2.gz RAXGMDSHPBAAHR-OAHLLOKOSA-N 1 1 385.489 3.910 20 5 GHBDMO Cc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc(N2CCCC2)n1 ZINC000292757513 915828959 /nfs/dbraw/zinc/82/89/59/915828959.db2.gz JCPMESSBHYPFAO-UHFFFAOYSA-N 1 1 393.447 3.843 20 5 GHBDMO [NH2+]=c1ccc2nc3c(cc(NC(=O)c4ccncc4O)c4ccccc43)oc-2c1 ZINC001188637495 916095536 /nfs/dbraw/zinc/09/55/36/916095536.db2.gz YVDNFEYOHHRGRL-UHFFFAOYSA-N 1 1 382.379 3.918 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cc(F)ccc1N1CCC(O)CC1 ZINC000775357784 917147081 /nfs/dbraw/zinc/14/70/81/917147081.db2.gz OCRUZJSBPUKHEI-CYBMUJFWSA-N 1 1 391.418 3.685 20 5 GHBDMO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000295144605 917168585 /nfs/dbraw/zinc/16/85/85/917168585.db2.gz BJHMFNWRNYGPRW-BLLLJJGKSA-N 1 1 397.397 3.703 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC001190417460 917323621 /nfs/dbraw/zinc/32/36/21/917323621.db2.gz IVEHHDUKOGZFCA-CQSZACIVSA-N 1 1 391.855 3.976 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC001190541324 917398379 /nfs/dbraw/zinc/39/83/79/917398379.db2.gz OYYISLNWGAKMTK-SJORKVTESA-N 1 1 390.867 3.695 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(C)cc1C ZINC001190590468 917434095 /nfs/dbraw/zinc/43/40/95/917434095.db2.gz ZLKOAQMICWGYQZ-UHFFFAOYSA-N 1 1 385.464 3.689 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295766386 917476519 /nfs/dbraw/zinc/47/65/19/917476519.db2.gz SFTVTLKOJAVEHS-CYBMUJFWSA-N 1 1 395.887 3.592 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC001191084554 917773381 /nfs/dbraw/zinc/77/33/81/917773381.db2.gz AUVSSHSSTDBBDC-SWLSCSKDSA-N 1 1 386.233 3.964 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC001191084554 917773389 /nfs/dbraw/zinc/77/33/89/917773389.db2.gz AUVSSHSSTDBBDC-SWLSCSKDSA-N 1 1 386.233 3.964 20 5 GHBDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001191212903 917826426 /nfs/dbraw/zinc/82/64/26/917826426.db2.gz DSTNMJUVZPWFJC-UFYCRDLUSA-N 1 1 384.476 3.911 20 5 GHBDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000796499315 917862495 /nfs/dbraw/zinc/86/24/95/917862495.db2.gz KHVIZGJSYOQNQN-GOSISDBHSA-N 1 1 380.803 3.955 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000364098333 919145402 /nfs/dbraw/zinc/14/54/02/919145402.db2.gz FAJDGBOBDFMFBI-GTNSWQLSSA-N 1 1 395.431 3.747 20 5 GHBDMO O=C(CC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000800355788 919953269 /nfs/dbraw/zinc/95/32/69/919953269.db2.gz JSMCUSMARPNGMM-PZJWPPBQSA-N 1 1 383.448 3.512 20 5 GHBDMO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517297 921090473 /nfs/dbraw/zinc/09/04/73/921090473.db2.gz MFIIEQXWSXQUGJ-UHFFFAOYSA-N 1 1 382.338 3.577 20 5 GHBDMO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517297 921090483 /nfs/dbraw/zinc/09/04/83/921090483.db2.gz MFIIEQXWSXQUGJ-UHFFFAOYSA-N 1 1 382.338 3.577 20 5 GHBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000412036841 927022312 /nfs/dbraw/zinc/02/23/12/927022312.db2.gz HYOAZDZNQXBYSU-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000412036841 927022325 /nfs/dbraw/zinc/02/23/25/927022325.db2.gz HYOAZDZNQXBYSU-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO C[C@H](c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000412034788 927023819 /nfs/dbraw/zinc/02/38/19/927023819.db2.gz TYNWAAFASAXBAR-GQWLDOHISA-N 1 1 395.459 3.730 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000750282340 927533581 /nfs/dbraw/zinc/53/35/81/927533581.db2.gz FFFFDEDEUMCECO-INIZCTEOSA-N 1 1 393.484 3.682 20 5 GHBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000751474997 928210281 /nfs/dbraw/zinc/21/02/81/928210281.db2.gz IESCXRHZWHHQCD-UHFFFAOYSA-N 1 1 392.456 3.719 20 5 GHBDMO C/C(=C/C(=O)NCc1ccccc1-n1cc[nH+]c1C)c1ccc([N+](=O)[O-])cc1 ZINC000751536193 928237448 /nfs/dbraw/zinc/23/74/48/928237448.db2.gz CZNQHFRTUDARGZ-SQFISAMPSA-N 1 1 376.416 3.809 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@](C)(CCc3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000751603424 928270495 /nfs/dbraw/zinc/27/04/95/928270495.db2.gz DVIMWMCXCXGTEE-NRFANRHFSA-N 1 1 379.464 3.950 20 5 GHBDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(C)C ZINC000751942564 928499009 /nfs/dbraw/zinc/49/90/09/928499009.db2.gz KKTOXRIACSJZPV-DLBZAZTESA-N 1 1 375.473 3.521 20 5 GHBDMO C/C(=C\C(=O)NCc1ccc(C)[nH+]c1N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752773301 929015838 /nfs/dbraw/zinc/01/58/38/929015838.db2.gz KNFJDEGPFIHWEJ-FYWRMAATSA-N 1 1 380.448 3.618 20 5 GHBDMO O=C1N(C[N@H+]2CCC[C@@H]2Cc2ccccc2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752786034 929022003 /nfs/dbraw/zinc/02/20/03/929022003.db2.gz JZXSKPTYWVQYFZ-GOSISDBHSA-N 1 1 380.448 3.501 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[C@@H]1c1cccs1 ZINC000544393549 929126587 /nfs/dbraw/zinc/12/65/87/929126587.db2.gz XPFGOMHPMUNEIT-SCLBCKFNSA-N 1 1 383.477 3.516 20 5 GHBDMO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000544480164 929221763 /nfs/dbraw/zinc/22/17/63/929221763.db2.gz NFTLVMMDGJGXJN-SNVBAGLBSA-N 1 1 375.429 3.750 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000753294168 929290373 /nfs/dbraw/zinc/29/03/73/929290373.db2.gz SPKAUFJKUUWNQY-NVXWUHKLSA-N 1 1 385.439 3.764 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@H+]1Cc1ccccc1 ZINC000467697998 929312680 /nfs/dbraw/zinc/31/26/80/929312680.db2.gz ODQWLRKRHNWJOB-RHSMWYFYSA-N 1 1 379.416 3.734 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757111320 929651242 /nfs/dbraw/zinc/65/12/42/929651242.db2.gz VOMBLYQYTMGZGZ-JKSUJKDBSA-N 1 1 393.484 3.729 20 5 GHBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[N@H+]1Cc1ccccc1 ZINC000757784425 929798409 /nfs/dbraw/zinc/79/84/09/929798409.db2.gz BKPVPUCPABNRKB-MAUKXSAKSA-N 1 1 394.475 3.562 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469451911 929906155 /nfs/dbraw/zinc/90/61/55/929906155.db2.gz HICFDDGTPULBNO-AWEZNQCLSA-N 1 1 389.402 4.000 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1[N+](=O)[O-] ZINC000758461836 930053997 /nfs/dbraw/zinc/05/39/97/930053997.db2.gz SRXDUKUYCAGJGL-UHFFFAOYSA-N 1 1 397.450 3.705 20 5 GHBDMO CCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000470140470 930399961 /nfs/dbraw/zinc/39/99/61/930399961.db2.gz KBQPKVFCMUVZBG-SFHVURJKSA-N 1 1 386.427 3.862 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000470177123 930434345 /nfs/dbraw/zinc/43/43/45/930434345.db2.gz PRTWTUCJAPUECY-OBGWFSINSA-N 1 1 379.460 3.846 20 5 GHBDMO CCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546904778 930521339 /nfs/dbraw/zinc/52/13/39/930521339.db2.gz DGCANQKQFDVMDN-SFHVURJKSA-N 1 1 392.459 3.813 20 5 GHBDMO COc1c(C)c[nH+]c(CCCOC(=O)CSc2ccc([N+](=O)[O-])cc2)c1C ZINC000780598020 930557133 /nfs/dbraw/zinc/55/71/33/930557133.db2.gz CROYJOQFEUYLIO-UHFFFAOYSA-N 1 1 390.461 3.883 20 5 GHBDMO Cc1ccc([C@H]2CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)c(C)c1 ZINC000471016837 931097586 /nfs/dbraw/zinc/09/75/86/931097586.db2.gz FCVRNOSDQMGOJO-KRWDZBQOSA-N 1 1 395.459 3.999 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000782183348 931111218 /nfs/dbraw/zinc/11/12/18/931111218.db2.gz KFXDIYYRRTVQDP-CQSZACIVSA-N 1 1 385.420 3.753 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782494239 931241126 /nfs/dbraw/zinc/24/11/26/931241126.db2.gz CSYXWXUZOBEFCY-HNNXBMFYSA-N 1 1 389.402 3.766 20 5 GHBDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782498100 931243598 /nfs/dbraw/zinc/24/35/98/931243598.db2.gz GMMCTGKQJOTTFE-GFCCVEGCSA-N 1 1 375.375 3.821 20 5 GHBDMO Cc1c(CC(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cccc1[N+](=O)[O-] ZINC000557456471 931441523 /nfs/dbraw/zinc/44/15/23/931441523.db2.gz FNACAIMVFHKYLX-LJQANCHMSA-N 1 1 393.443 3.686 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557489879 931467632 /nfs/dbraw/zinc/46/76/32/931467632.db2.gz XDWBMKFEJZLOJS-UHFFFAOYSA-N 1 1 383.496 3.612 20 5 GHBDMO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000557638623 931588849 /nfs/dbraw/zinc/58/88/49/931588849.db2.gz CPCMDCHFGOUPSA-UHFFFAOYSA-N 1 1 397.478 3.638 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000557638623 931588850 /nfs/dbraw/zinc/58/88/50/931588850.db2.gz CPCMDCHFGOUPSA-UHFFFAOYSA-N 1 1 397.478 3.638 20 5 GHBDMO C/C(=C/C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000784142763 931796721 /nfs/dbraw/zinc/79/67/21/931796721.db2.gz KOIAXZPSILTJIU-RAXLEYEMSA-N 1 1 386.477 3.860 20 5 GHBDMO C/C(=C/C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000784142763 931796727 /nfs/dbraw/zinc/79/67/27/931796727.db2.gz KOIAXZPSILTJIU-RAXLEYEMSA-N 1 1 386.477 3.860 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740135 932204687 /nfs/dbraw/zinc/20/46/87/932204687.db2.gz WBQCZYULPFESCQ-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740135 932204692 /nfs/dbraw/zinc/20/46/92/932204692.db2.gz WBQCZYULPFESCQ-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000797840121 932426246 /nfs/dbraw/zinc/42/62/46/932426246.db2.gz IJKYZENKCPTTBX-KRWDZBQOSA-N 1 1 388.468 3.760 20 5 GHBDMO COc1ccc(C[N@H+](CC2CC2)Cn2ncc3cc([N+](=O)[O-])ccc32)c(OC)c1 ZINC000799959075 933189009 /nfs/dbraw/zinc/18/90/09/933189009.db2.gz UDDJMPNUXSFFMG-UHFFFAOYSA-N 1 1 396.447 3.831 20 5 GHBDMO COc1ccc(C[N@@H+](CC2CC2)Cn2ncc3cc([N+](=O)[O-])ccc32)c(OC)c1 ZINC000799959075 933189014 /nfs/dbraw/zinc/18/90/14/933189014.db2.gz UDDJMPNUXSFFMG-UHFFFAOYSA-N 1 1 396.447 3.831 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC001116043852 933303007 /nfs/dbraw/zinc/30/30/07/933303007.db2.gz VWYNUISDRFAILU-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000560541235 933326681 /nfs/dbraw/zinc/32/66/81/933326681.db2.gz BFZCKJKXPNHGIS-UHFFFAOYSA-N 1 1 384.436 3.797 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC001116168623 933376943 /nfs/dbraw/zinc/37/69/43/933376943.db2.gz ZERAHMVIPRMHTD-OAHLLOKOSA-N 1 1 398.463 3.609 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000777806472 933544435 /nfs/dbraw/zinc/54/44/35/933544435.db2.gz AKSLAUGXBHODKR-PKOBYXMFSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000777806472 933544440 /nfs/dbraw/zinc/54/44/40/933544440.db2.gz AKSLAUGXBHODKR-PKOBYXMFSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000777806472 933544444 /nfs/dbraw/zinc/54/44/44/933544444.db2.gz AKSLAUGXBHODKR-PKOBYXMFSA-N 1 1 399.495 3.674 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1F ZINC001116633271 933675599 /nfs/dbraw/zinc/67/55/99/933675599.db2.gz WBKZKBNHQFBJDW-ZDUSSCGKSA-N 1 1 384.411 3.998 20 5 GHBDMO O=c1cc2c(n[nH]1)CC[N@H+](Cc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)C2 ZINC001116652596 933684460 /nfs/dbraw/zinc/68/44/60/933684460.db2.gz PKRXDOKNHNBUFE-UHFFFAOYSA-N 1 1 386.795 3.562 20 5 GHBDMO COc1cccc([C@H]2[C@@H](Nc3nc4ccccn4c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000778010250 934621283 /nfs/dbraw/zinc/62/12/83/934621283.db2.gz PFROZBNQJDPOGX-HKUYNNGSSA-N 1 1 393.447 3.641 20 5 GHBDMO CCOc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc1[N+](=O)[O-] ZINC001125229796 935554517 /nfs/dbraw/zinc/55/45/17/935554517.db2.gz IXUTYDBDXNKINC-QGZVFWFLSA-N 1 1 381.432 3.618 20 5 GHBDMO C[C@@]1(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1(Cl)Cl ZINC000828857701 935729505 /nfs/dbraw/zinc/72/95/05/935729505.db2.gz GMROBLXWTFNUEQ-INIZCTEOSA-N 1 1 398.294 3.567 20 5 GHBDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O ZINC001460977669 1069313074 /nfs/dbraw/zinc/31/30/74/1069313074.db2.gz WMNIOEZSWPQXAB-LLVKDONJSA-N 1 1 398.868 3.511 20 5 GHBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544850931 1015102809 /nfs/dbraw/zinc/10/28/09/1015102809.db2.gz GXTHWNCRQFDRDT-KRWDZBQOSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000545403297 1015844451 /nfs/dbraw/zinc/84/44/51/1015844451.db2.gz XZNIBYXUPYMNFX-SFHVURJKSA-N 1 1 392.459 3.813 20 5 GHBDMO CC[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000545403297 1015844461 /nfs/dbraw/zinc/84/44/61/1015844461.db2.gz XZNIBYXUPYMNFX-SFHVURJKSA-N 1 1 392.459 3.813 20 5 GHBDMO CCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546893575 1016763265 /nfs/dbraw/zinc/76/32/65/1016763265.db2.gz WTEFCHWINKZQMH-APWZRJJASA-N 1 1 399.466 3.960 20 5 GHBDMO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470652495 1016846705 /nfs/dbraw/zinc/84/67/05/1016846705.db2.gz CFDBADCSWGWAON-IBGZPJMESA-N 1 1 399.516 3.810 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001226890276 1032179256 /nfs/dbraw/zinc/17/92/56/1032179256.db2.gz MESXDSWDZLITLV-HXUWFJFHSA-N 1 1 398.507 3.593 20 5 GHBDMO C[NH+](C)/C=C/c1cc(NCCCc2cncc(C(F)(F)F)c2)ncc1[N+](=O)[O-] ZINC001154718433 1032253255 /nfs/dbraw/zinc/25/32/55/1032253255.db2.gz HIVVDLZJGHJXPW-FNORWQNLSA-N 1 1 395.385 3.981 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001227299347 1032361583 /nfs/dbraw/zinc/36/15/83/1032361583.db2.gz YGCPSYPNWIUSIY-REPLKXPHSA-N 1 1 396.443 3.956 20 5 GHBDMO CC(C)(C)[NH+]1CCC(Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)CC1 ZINC001227309193 1032367276 /nfs/dbraw/zinc/36/72/76/1032367276.db2.gz JEDILRNQXIMHFD-UHFFFAOYSA-N 1 1 383.444 3.999 20 5 GHBDMO CC(C)N(C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21)C(C)(C)C[NH3+] ZINC001221395650 1032394992 /nfs/dbraw/zinc/39/49/92/1032394992.db2.gz WVNQAJFRZHXYGK-QFIPXVFZSA-N 1 1 377.532 3.837 20 5 GHBDMO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c([N+](=O)[O-])c2)cc1 ZINC001227700123 1032521395 /nfs/dbraw/zinc/52/13/95/1032521395.db2.gz MMWJSVJYFINFIL-PIIMJCKOSA-N 1 1 396.443 3.844 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000560526993 1017653446 /nfs/dbraw/zinc/65/34/46/1017653446.db2.gz JTZQZPPWOIKRSE-OAQYLSRUSA-N 1 1 387.443 3.798 20 5 GHBDMO C[C@H](C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)CO)c1ccccc1 ZINC000561910004 1017977782 /nfs/dbraw/zinc/97/77/82/1017977782.db2.gz HCAHERLEITVIHA-CVEARBPZSA-N 1 1 396.447 3.631 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932800821 1018677068 /nfs/dbraw/zinc/67/70/68/1018677068.db2.gz MLJUPJHWQZVWTH-SJORKVTESA-N 1 1 391.487 3.780 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000564519244 1019085760 /nfs/dbraw/zinc/08/57/60/1019085760.db2.gz AHKSXGJWAFSQQE-LJQANCHMSA-N 1 1 381.476 3.935 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(=S)cc4[nH]c5ccccc5nc3-4)C[C@@H]21 ZINC001155996797 1032829176 /nfs/dbraw/zinc/82/91/76/1032829176.db2.gz UNCCIGIXKINOKW-YJYMSZOUSA-N 1 1 378.501 3.563 20 5 GHBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)C1 ZINC001155997327 1032830098 /nfs/dbraw/zinc/83/00/98/1032830098.db2.gz XRYWQCYZNPQGDC-CQSZACIVSA-N 1 1 380.517 3.859 20 5 GHBDMO CC(C)C[C@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795431444 1021060778 /nfs/dbraw/zinc/06/07/78/1021060778.db2.gz GRNRHGQVCUFJSI-GFCCVEGCSA-N 1 1 396.285 3.639 20 5 GHBDMO CC(C)C[C@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795431444 1021060786 /nfs/dbraw/zinc/06/07/86/1021060786.db2.gz GRNRHGQVCUFJSI-GFCCVEGCSA-N 1 1 396.285 3.639 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)c2ncc([N+](=O)[O-])cc2C)cc1 ZINC001156292546 1032960830 /nfs/dbraw/zinc/96/08/30/1032960830.db2.gz OEHVORNFOBVSLA-SFHVURJKSA-N 1 1 384.480 3.798 20 5 GHBDMO O=C(OCc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000803908092 1021644614 /nfs/dbraw/zinc/64/46/14/1021644614.db2.gz UOFKDURYTZMDGO-QGZVFWFLSA-N 1 1 390.386 3.795 20 5 GHBDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000754871174 1022942205 /nfs/dbraw/zinc/94/22/05/1022942205.db2.gz ZVGCQFQEKTXVJO-UHFFFAOYSA-N 1 1 387.436 3.946 20 5 GHBDMO CCOc1cc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC000755030650 1023031440 /nfs/dbraw/zinc/03/14/40/1023031440.db2.gz NXTOJIMKQCUBIO-UHFFFAOYSA-N 1 1 397.431 3.508 20 5 GHBDMO CCOc1cc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC000755030650 1023031452 /nfs/dbraw/zinc/03/14/52/1023031452.db2.gz NXTOJIMKQCUBIO-UHFFFAOYSA-N 1 1 397.431 3.508 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000755067980 1023059518 /nfs/dbraw/zinc/05/95/18/1023059518.db2.gz VTGHYGMDZAIMLH-GDBMZVCRSA-N 1 1 393.484 3.729 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000755426138 1023244184 /nfs/dbraw/zinc/24/41/84/1023244184.db2.gz VPGFKAJSPMIKPK-RUDRXDDOSA-N 1 1 379.460 3.731 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cn(Cc4ccccc4)nn3)C2)cc1 ZINC000831538917 1024626674 /nfs/dbraw/zinc/62/66/74/1024626674.db2.gz JIWYTPLYMIIUHV-LJQANCHMSA-N 1 1 377.448 3.614 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cn(Cc4ccccc4)nn3)C2)cc1 ZINC000831538917 1024626682 /nfs/dbraw/zinc/62/66/82/1024626682.db2.gz JIWYTPLYMIIUHV-LJQANCHMSA-N 1 1 377.448 3.614 20 5 GHBDMO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000831539722 1024630182 /nfs/dbraw/zinc/63/01/82/1024630182.db2.gz VKJNVHVSESSOKV-UZLBHIALSA-N 1 1 386.448 3.525 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)cc1 ZINC000831593546 1024668485 /nfs/dbraw/zinc/66/84/85/1024668485.db2.gz LRSZMFNGKQJQMD-MAUKXSAKSA-N 1 1 391.265 3.880 20 5 GHBDMO COC(=O)c1c(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001229049741 1033250554 /nfs/dbraw/zinc/25/05/54/1033250554.db2.gz JRXMYQJSAFVVDU-QAPCUYQASA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001229060040 1033256745 /nfs/dbraw/zinc/25/67/45/1033256745.db2.gz ZJEKRGUQXWFHSG-NBHGPNQESA-N 1 1 396.443 3.671 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229086263 1033270949 /nfs/dbraw/zinc/27/09/49/1033270949.db2.gz NZZNDSQYWWBFQL-GXTWGEPZSA-N 1 1 392.253 3.967 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000839148797 1025645565 /nfs/dbraw/zinc/64/55/65/1025645565.db2.gz MKQGKRAUNWEAIO-OAHLLOKOSA-N 1 1 376.350 3.915 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000839148797 1025645571 /nfs/dbraw/zinc/64/55/71/1025645571.db2.gz MKQGKRAUNWEAIO-OAHLLOKOSA-N 1 1 376.350 3.915 20 5 GHBDMO COC(=O)/C=C/c1ccc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001162244344 1025688905 /nfs/dbraw/zinc/68/89/05/1025688905.db2.gz KOZQTMUBASWZPS-SHVNWIDNSA-N 1 1 375.469 3.559 20 5 GHBDMO Cc1cc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162356300 1025724453 /nfs/dbraw/zinc/72/44/53/1025724453.db2.gz UTPMAUCUNKODNS-HNNXBMFYSA-N 1 1 383.496 3.705 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC001162530598 1025781812 /nfs/dbraw/zinc/78/18/12/1025781812.db2.gz JUEGDOWZFQJXNO-DLBZAZTESA-N 1 1 398.507 3.538 20 5 GHBDMO CC[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001162726052 1025893674 /nfs/dbraw/zinc/89/36/74/1025893674.db2.gz VPBRTVIHCIOTDU-XLIONFOSSA-N 1 1 395.463 3.563 20 5 GHBDMO CC[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001162726052 1025893699 /nfs/dbraw/zinc/89/36/99/1025893699.db2.gz VPBRTVIHCIOTDU-XLIONFOSSA-N 1 1 395.463 3.563 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1F ZINC000839416137 1025900486 /nfs/dbraw/zinc/90/04/86/1025900486.db2.gz RUZOJUKJMHQUPR-OAHLLOKOSA-N 1 1 385.439 3.636 20 5 GHBDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC001162867064 1025947527 /nfs/dbraw/zinc/94/75/27/1025947527.db2.gz FVQMEQQLVRUZHA-IFXJQAMLSA-N 1 1 387.459 3.569 20 5 GHBDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC001162867064 1025947530 /nfs/dbraw/zinc/94/75/30/1025947530.db2.gz FVQMEQQLVRUZHA-IFXJQAMLSA-N 1 1 387.459 3.569 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1n1ccnc1 ZINC000839524966 1026007540 /nfs/dbraw/zinc/00/75/40/1026007540.db2.gz OBLHWZQVUAWZSR-DOMZBBRYSA-N 1 1 379.258 3.637 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1n1ccnc1 ZINC000839524966 1026007554 /nfs/dbraw/zinc/00/75/54/1026007554.db2.gz OBLHWZQVUAWZSR-DOMZBBRYSA-N 1 1 379.258 3.637 20 5 GHBDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000839607167 1026105672 /nfs/dbraw/zinc/10/56/72/1026105672.db2.gz WPGNZGLUDZFMAJ-YJYMSZOUSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000839607167 1026105675 /nfs/dbraw/zinc/10/56/75/1026105675.db2.gz WPGNZGLUDZFMAJ-YJYMSZOUSA-N 1 1 391.855 3.631 20 5 GHBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1Cc1ccccc1 ZINC001163260849 1026110770 /nfs/dbraw/zinc/11/07/70/1026110770.db2.gz UEJWYTKXWYPPPD-MRXNPFEDSA-N 1 1 377.391 3.559 20 5 GHBDMO CCN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@H](C)Cc1ccc(OC)cc1 ZINC001163834557 1026333122 /nfs/dbraw/zinc/33/31/22/1026333122.db2.gz SJJQDKBZJVYTCU-LPQFERQCSA-N 1 1 384.480 3.988 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1C ZINC001165618357 1026778678 /nfs/dbraw/zinc/77/86/78/1026778678.db2.gz SFZFSCJYOHRKSC-LJQANCHMSA-N 1 1 381.476 3.601 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)ncc1[N+](=O)[O-] ZINC001166115166 1026921788 /nfs/dbraw/zinc/92/17/88/1026921788.db2.gz AJDGHZUPTGZOGZ-DQKOTCQSSA-N 1 1 386.496 3.554 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N(Cc2cccnc2)Cc2ccccn2)ncc1[N+](=O)[O-] ZINC001166557672 1027026971 /nfs/dbraw/zinc/02/69/71/1027026971.db2.gz XAUZXEZAUQEEFT-DHZHZOJOSA-N 1 1 390.447 3.519 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cn3ccc(-c4ccc(F)cn4)n3)C2)cc1 ZINC000840121794 1027242337 /nfs/dbraw/zinc/24/23/37/1027242337.db2.gz BLNVVUJZZMVTBL-INIZCTEOSA-N 1 1 381.411 3.830 20 5 GHBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC001209886747 1027260989 /nfs/dbraw/zinc/26/09/89/1027260989.db2.gz FLBQYPHLPMVVJW-LBPRGKRZSA-N 1 1 388.390 3.918 20 5 GHBDMO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1cc([N+](=O)[O-])ccc1C ZINC001211290375 1027893024 /nfs/dbraw/zinc/89/30/24/1027893024.db2.gz CRWRYKLCOQFMIY-UHFFFAOYSA-N 1 1 382.420 3.812 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)Cc1c(C)noc1C ZINC001142202307 1028350639 /nfs/dbraw/zinc/35/06/39/1028350639.db2.gz YSVWHNMOIBCBRE-UHFFFAOYSA-N 1 1 390.443 3.743 20 5 GHBDMO CC[C@H](NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177796144 1028460719 /nfs/dbraw/zinc/46/07/19/1028460719.db2.gz JLLFJFSZMDFFSK-IBGZPJMESA-N 1 1 382.464 3.782 20 5 GHBDMO Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(N2CCCC2)n1 ZINC001461426944 1069544531 /nfs/dbraw/zinc/54/45/31/1069544531.db2.gz CJHMKUFJULAVOH-UHFFFAOYSA-N 1 1 392.406 3.790 20 5 GHBDMO C[N@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841688434 1028835992 /nfs/dbraw/zinc/83/59/92/1028835992.db2.gz HIZGUFUCTKVDEM-PKOBYXMFSA-N 1 1 384.480 3.923 20 5 GHBDMO C[N@@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841688434 1028836002 /nfs/dbraw/zinc/83/60/02/1028836002.db2.gz HIZGUFUCTKVDEM-PKOBYXMFSA-N 1 1 384.480 3.923 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])c(-c2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC001216553288 1029684082 /nfs/dbraw/zinc/68/40/82/1029684082.db2.gz XMURSFCHDHUMJH-UHFFFAOYSA-N 1 1 391.343 3.535 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222931588 1030356788 /nfs/dbraw/zinc/35/67/88/1030356788.db2.gz LHPLZMGEIKULOA-HOCLYGCPSA-N 1 1 382.420 3.873 20 5 GHBDMO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001461668521 1069668100 /nfs/dbraw/zinc/66/81/00/1069668100.db2.gz LYHDHLRTOLRTNX-CQSZACIVSA-N 1 1 389.477 3.552 20 5 GHBDMO COC(=O)c1c(CO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001223294368 1030512718 /nfs/dbraw/zinc/51/27/18/1030512718.db2.gz JNEUOYXSQOYLMY-UZLBHIALSA-N 1 1 398.459 3.809 20 5 GHBDMO O=[N+]([O-])c1cc(CO[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)cc([N+](=O)[O-])c1 ZINC001223488664 1030600408 /nfs/dbraw/zinc/60/04/08/1030600408.db2.gz RJHUETXUHKRLRV-WGMWDUQUSA-N 1 1 397.431 3.930 20 5 GHBDMO COC(=O)c1cccc(CO[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001223665530 1030696168 /nfs/dbraw/zinc/69/61/68/1030696168.db2.gz SZFMPTYXDKNQSH-UZLBHIALSA-N 1 1 398.459 3.809 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001150960688 1030723755 /nfs/dbraw/zinc/72/37/55/1030723755.db2.gz IGJHHBDVGJZWPQ-HUUCEWRRSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001150960688 1030723769 /nfs/dbraw/zinc/72/37/69/1030723769.db2.gz IGJHHBDVGJZWPQ-HUUCEWRRSA-N 1 1 387.867 3.983 20 5 GHBDMO CCOC(=O)c1ccc(CO[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)c([N+](=O)[O-])c1 ZINC001223960950 1030830905 /nfs/dbraw/zinc/83/09/05/1030830905.db2.gz PCZFVALJHGXLNG-SFHVURJKSA-N 1 1 399.447 3.661 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1C[NH2+][C@@H]1C ZINC001218389899 1030916944 /nfs/dbraw/zinc/91/69/44/1030916944.db2.gz ZTHOBZSRTLKWAE-BLVKFPJESA-N 1 1 381.428 3.605 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@H](CC(C)C)[NH2+]C ZINC001219005886 1031208036 /nfs/dbraw/zinc/20/80/36/1031208036.db2.gz XNCXPKFJKBJLLS-SFHVURJKSA-N 1 1 380.492 3.529 20 5 GHBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1c2ccccc2cc2ccccc21 ZINC001153488603 1031614030 /nfs/dbraw/zinc/61/40/30/1031614030.db2.gz HVJJXXGLTNQZAF-XZOQPEGZSA-N 1 1 387.527 3.843 20 5 GHBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1c2ccccc2cc2ccccc21 ZINC001153488603 1031614038 /nfs/dbraw/zinc/61/40/38/1031614038.db2.gz HVJJXXGLTNQZAF-XZOQPEGZSA-N 1 1 387.527 3.843 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226435807 1031958780 /nfs/dbraw/zinc/95/87/80/1031958780.db2.gz UYFYRKABLGCYAN-FOIQADDNSA-N 1 1 378.432 3.827 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226441510 1031961380 /nfs/dbraw/zinc/96/13/80/1031961380.db2.gz RAANLVQNHRHNGX-HOCLYGCPSA-N 1 1 379.420 3.537 20 5 GHBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001229179913 1033324349 /nfs/dbraw/zinc/32/43/49/1033324349.db2.gz RHRPIPCRQCBSIK-LJQANCHMSA-N 1 1 398.459 3.857 20 5 GHBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001229179913 1033324358 /nfs/dbraw/zinc/32/43/58/1033324358.db2.gz RHRPIPCRQCBSIK-LJQANCHMSA-N 1 1 398.459 3.857 20 5 GHBDMO Cc1cc(O)c(OC[C@H]2C[N@H+](Cc3ccccc3)CC(C)(C)O2)cc1[N+](=O)[O-] ZINC001229752003 1033687518 /nfs/dbraw/zinc/68/75/18/1033687518.db2.gz ALPLIINSYNMFNU-QGZVFWFLSA-N 1 1 386.448 3.667 20 5 GHBDMO Cc1cc(O)c(OC[C@H]2C[N@@H+](Cc3ccccc3)CC(C)(C)O2)cc1[N+](=O)[O-] ZINC001229752003 1033687525 /nfs/dbraw/zinc/68/75/25/1033687525.db2.gz ALPLIINSYNMFNU-QGZVFWFLSA-N 1 1 386.448 3.667 20 5 GHBDMO C[C@H]1COCC[C@H]1Oc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229808293 1033730991 /nfs/dbraw/zinc/73/09/91/1033730991.db2.gz PBYZPCOTZRXICT-YCRPNKLZSA-N 1 1 393.487 3.692 20 5 GHBDMO Cc1cc(=O)oc2c1ccc(O[C@@H]1CC[N@@H+](Cc3ccccc3)C1)c2[N+](=O)[O-] ZINC001229941395 1033804751 /nfs/dbraw/zinc/80/47/51/1033804751.db2.gz ABWCRWPHZDDYHT-MRXNPFEDSA-N 1 1 380.400 3.663 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001230246149 1033960255 /nfs/dbraw/zinc/96/02/55/1033960255.db2.gz JQIYGHYMQVCMJH-QRWLVFNGSA-N 1 1 383.448 3.843 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001230251458 1033962113 /nfs/dbraw/zinc/96/21/13/1033962113.db2.gz VPQOSXDEIGJRPN-SLYNCCJLSA-N 1 1 395.459 3.843 20 5 GHBDMO O=[N+]([O-])c1cccc2cc(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)cnc21 ZINC001231157045 1034432516 /nfs/dbraw/zinc/43/25/16/1034432516.db2.gz YDHPNDPVLCGYJH-FQEVSTJZSA-N 1 1 393.443 3.813 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232221416 1035169137 /nfs/dbraw/zinc/16/91/37/1035169137.db2.gz YKVBZYVVGIPFRZ-RMFSNUHRSA-N 1 1 390.487 3.738 20 5 GHBDMO CCOCc1ncn2c1C[N@H+](Cc1ccc3ccc4cccnc4c3n1)CCC2 ZINC001232223190 1035171466 /nfs/dbraw/zinc/17/14/66/1035171466.db2.gz WMTFEXNYTBIGGN-UHFFFAOYSA-N 1 1 387.487 3.922 20 5 GHBDMO CCOCc1ncn2c1C[N@@H+](Cc1ccc3ccc4cccnc4c3n1)CCC2 ZINC001232223190 1035171472 /nfs/dbraw/zinc/17/14/72/1035171472.db2.gz WMTFEXNYTBIGGN-UHFFFAOYSA-N 1 1 387.487 3.922 20 5 GHBDMO FC1(F)C[NH2+]CC[C@@H]1Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248901083 1036228564 /nfs/dbraw/zinc/22/85/64/1036228564.db2.gz HTWWOPDTCZIALR-CQSZACIVSA-N 1 1 381.386 3.620 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CC[NH2+]C3(CCCCC3)C2)c1F ZINC001246511436 1037450749 /nfs/dbraw/zinc/45/07/49/1037450749.db2.gz IYHHIFLSNNIEDO-GJZGRUSLSA-N 1 1 379.476 3.718 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CCN[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001246810338 1037644337 /nfs/dbraw/zinc/64/43/37/1037644337.db2.gz KNFXOHKMUYEING-LIRRHRJNSA-N 1 1 389.883 3.834 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCN[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001246810338 1037644339 /nfs/dbraw/zinc/64/43/39/1037644339.db2.gz KNFXOHKMUYEING-LIRRHRJNSA-N 1 1 389.883 3.834 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001233708433 1039555332 /nfs/dbraw/zinc/55/53/32/1039555332.db2.gz UDVFSYBOBAYSPN-HNNXBMFYSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001233708433 1039555348 /nfs/dbraw/zinc/55/53/48/1039555348.db2.gz UDVFSYBOBAYSPN-HNNXBMFYSA-N 1 1 377.784 3.810 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001233986172 1039743889 /nfs/dbraw/zinc/74/38/89/1039743889.db2.gz ISLMROOFFGRFAU-YLJYHZDGSA-N 1 1 384.476 3.804 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001254550604 1040318594 /nfs/dbraw/zinc/31/85/94/1040318594.db2.gz NCDHNGRBEHPUKG-DOTOQJQBSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001254552507 1040320748 /nfs/dbraw/zinc/32/07/48/1040320748.db2.gz MTIMAZNELUUNTN-SUMDDJOVSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254553121 1040321228 /nfs/dbraw/zinc/32/12/28/1040321228.db2.gz STAXDHOIMNBLNN-NVXWUHKLSA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001254554662 1040324846 /nfs/dbraw/zinc/32/48/46/1040324846.db2.gz DAEJSCAUXHJDJL-MAODMQOUSA-N 1 1 379.460 3.796 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001254560459 1040331347 /nfs/dbraw/zinc/33/13/47/1040331347.db2.gz SWNFNZGVMVMHKZ-KKSFZXQISA-N 1 1 395.503 3.867 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001254560459 1040331362 /nfs/dbraw/zinc/33/13/62/1040331362.db2.gz SWNFNZGVMVMHKZ-KKSFZXQISA-N 1 1 395.503 3.867 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001254569744 1040346504 /nfs/dbraw/zinc/34/65/04/1040346504.db2.gz KMNLYIUMOIZEPC-SPUZQDLCSA-N 1 1 389.496 3.761 20 5 GHBDMO CC[C@@H]1[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001254596596 1040369811 /nfs/dbraw/zinc/36/98/11/1040369811.db2.gz PMTMGOQBVVLJCM-GIWBLDEGSA-N 1 1 397.519 3.708 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604369 1040376014 /nfs/dbraw/zinc/37/60/14/1040376014.db2.gz WIJLVJODGZYBOZ-XZOQPEGZSA-N 1 1 377.488 3.660 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604369 1040376034 /nfs/dbraw/zinc/37/60/34/1040376034.db2.gz WIJLVJODGZYBOZ-XZOQPEGZSA-N 1 1 377.488 3.660 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C1)C2 ZINC001254607310 1040377800 /nfs/dbraw/zinc/37/78/00/1040377800.db2.gz LECZITLKLLCEFK-GOTSBHOMSA-N 1 1 377.488 3.803 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@]3(CCCN3Cc3ccccc3)C1)C2 ZINC001254607310 1040377818 /nfs/dbraw/zinc/37/78/18/1040377818.db2.gz LECZITLKLLCEFK-GOTSBHOMSA-N 1 1 377.488 3.803 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@]3(CCCN3Cc3ccccc3)C1)C2 ZINC001254607310 1040377833 /nfs/dbraw/zinc/37/78/33/1040377833.db2.gz LECZITLKLLCEFK-GOTSBHOMSA-N 1 1 377.488 3.803 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@]3(CCC[N@H+]3Cc3ccccc3)C1)C2 ZINC001254607315 1040378810 /nfs/dbraw/zinc/37/88/10/1040378810.db2.gz LECZITLKLLCEFK-XZOQPEGZSA-N 1 1 377.488 3.803 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@]3(CCCN3Cc3ccccc3)C1)C2 ZINC001254607315 1040378820 /nfs/dbraw/zinc/37/88/20/1040378820.db2.gz LECZITLKLLCEFK-XZOQPEGZSA-N 1 1 377.488 3.803 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@]3(CCCN3Cc3ccccc3)C1)C2 ZINC001254607315 1040378835 /nfs/dbraw/zinc/37/88/35/1040378835.db2.gz LECZITLKLLCEFK-XZOQPEGZSA-N 1 1 377.488 3.803 20 5 GHBDMO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609359 1040381794 /nfs/dbraw/zinc/38/17/94/1040381794.db2.gz VTILLRUXWDVSGH-BHDDXSALSA-N 1 1 394.471 3.873 20 5 GHBDMO O=[N+]([O-])c1ccc(CCc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC001255376630 1040969126 /nfs/dbraw/zinc/96/91/26/1040969126.db2.gz PFCFFISOHWRYQC-SFHVURJKSA-N 1 1 378.432 3.753 20 5 GHBDMO COc1ccc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c([N+](=O)[O-])c1 ZINC001255385882 1040974657 /nfs/dbraw/zinc/97/46/57/1040974657.db2.gz HPUZFCFAWPSIJT-OAHLLOKOSA-N 1 1 380.404 3.643 20 5 GHBDMO O=[N+]([O-])c1cc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc([N+](=O)[O-])c1 ZINC001255479118 1041077315 /nfs/dbraw/zinc/07/73/15/1041077315.db2.gz QAIQMOZKGCCHRH-AWEZNQCLSA-N 1 1 395.375 3.543 20 5 GHBDMO CN(C)c1ccc([N+](=O)[O-])cc1-c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255496925 1041091421 /nfs/dbraw/zinc/09/14/21/1041091421.db2.gz ZACHUXJUKAQBGC-MRXNPFEDSA-N 1 1 393.447 3.700 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001462625699 1070424265 /nfs/dbraw/zinc/42/42/65/1070424265.db2.gz FFJUDXDCXHRGTQ-CYBMUJFWSA-N 1 1 383.876 3.985 20 5 GHBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1)[N@H+]1CCC[C@H](C)C1 ZINC001291106051 1043081134 /nfs/dbraw/zinc/08/11/34/1043081134.db2.gz RBBUPHWQYSAUEY-HOTGVXAUSA-N 1 1 398.511 3.572 20 5 GHBDMO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001293052948 1044001712 /nfs/dbraw/zinc/00/17/12/1044001712.db2.gz MCDNFNXDQGMYAM-LEWJYISDSA-N 1 1 393.487 3.821 20 5 GHBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001301752816 1046684217 /nfs/dbraw/zinc/68/42/17/1046684217.db2.gz PNGUKPQPBGIFQD-OALUTQOASA-N 1 1 399.878 3.666 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001301866780 1046736084 /nfs/dbraw/zinc/73/60/84/1046736084.db2.gz DCYCNZOLEYHEIH-VTYRTOMDSA-N 1 1 379.460 3.635 20 5 GHBDMO CSc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001287692718 1048889142 /nfs/dbraw/zinc/88/91/42/1048889142.db2.gz GFIFLIDMCRQTMR-WBVHZDCISA-N 1 1 399.516 3.815 20 5 GHBDMO O=C1[C@@H]([NH+]2CCC(Cc3ccccc3F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001307524204 1049367763 /nfs/dbraw/zinc/36/77/63/1049367763.db2.gz HRYFEMGINJUOBT-NRFANRHFSA-N 1 1 397.450 3.794 20 5 GHBDMO O=c1[nH]c2ccccc2n1CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307778460 1049586268 /nfs/dbraw/zinc/58/62/68/1049586268.db2.gz DENXBCYJEMVTBA-QGZVFWFLSA-N 1 1 380.448 3.920 20 5 GHBDMO CC(C)[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001307935684 1049709070 /nfs/dbraw/zinc/70/90/70/1049709070.db2.gz VRGWGDHJACUUIZ-NRFANRHFSA-N 1 1 383.492 3.816 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC001308085395 1049830055 /nfs/dbraw/zinc/83/00/55/1049830055.db2.gz ORKVRWSHNFYBCN-GJZGRUSLSA-N 1 1 388.493 3.641 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC001308085395 1049830068 /nfs/dbraw/zinc/83/00/68/1049830068.db2.gz ORKVRWSHNFYBCN-GJZGRUSLSA-N 1 1 388.493 3.641 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC001308368461 1049960169 /nfs/dbraw/zinc/96/01/69/1049960169.db2.gz XAUYMUDIUCSNGD-UHFFFAOYSA-N 1 1 383.492 3.953 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001308973169 1050233423 /nfs/dbraw/zinc/23/34/23/1050233423.db2.gz VFLRKYQTEZXPMW-HNNXBMFYSA-N 1 1 392.381 3.993 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001308973169 1050233431 /nfs/dbraw/zinc/23/34/31/1050233431.db2.gz VFLRKYQTEZXPMW-HNNXBMFYSA-N 1 1 392.381 3.993 20 5 GHBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC001329490230 1050818719 /nfs/dbraw/zinc/81/87/19/1050818719.db2.gz ADSSVELBQUJFJR-GFCCVEGCSA-N 1 1 379.258 3.550 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001313278922 1053004853 /nfs/dbraw/zinc/00/48/53/1053004853.db2.gz ATAUCPCAMSPHCU-QGZVFWFLSA-N 1 1 396.491 3.746 20 5 GHBDMO C[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001313350702 1053027211 /nfs/dbraw/zinc/02/72/11/1053027211.db2.gz GGPOOMWULQQDPZ-MSOLQXFVSA-N 1 1 396.491 3.614 20 5 GHBDMO C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001313350702 1053027214 /nfs/dbraw/zinc/02/72/14/1053027214.db2.gz GGPOOMWULQQDPZ-MSOLQXFVSA-N 1 1 396.491 3.614 20 5 GHBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001344448262 1054478427 /nfs/dbraw/zinc/47/84/27/1054478427.db2.gz NWXHOBJMRBQFQB-INIZCTEOSA-N 1 1 375.450 3.636 20 5 GHBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001344448262 1054478434 /nfs/dbraw/zinc/47/84/34/1054478434.db2.gz NWXHOBJMRBQFQB-INIZCTEOSA-N 1 1 375.450 3.636 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC001320115368 1055660857 /nfs/dbraw/zinc/66/08/57/1055660857.db2.gz DANODQNRHFEHCL-UHFFFAOYSA-N 1 1 398.463 3.652 20 5 GHBDMO Cc1cccc(NC[C@@H]2CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001321941792 1056450857 /nfs/dbraw/zinc/45/08/57/1056450857.db2.gz OQXYIUMUJOELIG-IBGZPJMESA-N 1 1 397.479 3.593 20 5 GHBDMO COc1ccccc1C1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC001323438879 1056970181 /nfs/dbraw/zinc/97/01/81/1056970181.db2.gz RHVBPNPKFHZWRQ-UHFFFAOYSA-N 1 1 389.839 3.864 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000848480568 1057118184 /nfs/dbraw/zinc/11/81/84/1057118184.db2.gz REBJXQWRLMPARG-LJQANCHMSA-N 1 1 392.459 3.955 20 5 GHBDMO C[N@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)CC1(c2ccccc2)CC1 ZINC000848484597 1057121283 /nfs/dbraw/zinc/12/12/83/1057121283.db2.gz OQSDOQKARYKVCR-HXUWFJFHSA-N 1 1 379.460 3.532 20 5 GHBDMO C[N@@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)CC1(c2ccccc2)CC1 ZINC000848484597 1057121288 /nfs/dbraw/zinc/12/12/88/1057121288.db2.gz OQSDOQKARYKVCR-HXUWFJFHSA-N 1 1 379.460 3.532 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001444843332 1059395404 /nfs/dbraw/zinc/39/54/04/1059395404.db2.gz GMVWAFUNQKBSRP-LJQANCHMSA-N 1 1 385.439 3.951 20 5 GHBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001452645001 1060977502 /nfs/dbraw/zinc/97/75/02/1060977502.db2.gz KZAWODIPKRDGKM-NWDGAFQWSA-N 1 1 390.242 3.787 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001455288930 1062092739 /nfs/dbraw/zinc/09/27/39/1062092739.db2.gz LTBJRQBXHICJRZ-KRWDZBQOSA-N 1 1 399.495 3.568 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001455288930 1062092762 /nfs/dbraw/zinc/09/27/62/1062092762.db2.gz LTBJRQBXHICJRZ-KRWDZBQOSA-N 1 1 399.495 3.568 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001455288930 1062092780 /nfs/dbraw/zinc/09/27/80/1062092780.db2.gz LTBJRQBXHICJRZ-KRWDZBQOSA-N 1 1 399.495 3.568 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001456493700 1062714878 /nfs/dbraw/zinc/71/48/78/1062714878.db2.gz ZHAJOSSCFPQJRO-MRXNPFEDSA-N 1 1 399.466 3.744 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001456493700 1062714902 /nfs/dbraw/zinc/71/49/02/1062714902.db2.gz ZHAJOSSCFPQJRO-MRXNPFEDSA-N 1 1 399.466 3.744 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001457086524 1062971463 /nfs/dbraw/zinc/97/14/63/1062971463.db2.gz BERCBDGONFNZDE-DNVCBOLYSA-N 1 1 385.439 3.683 20 5 GHBDMO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001457615525 1063279598 /nfs/dbraw/zinc/27/95/98/1063279598.db2.gz UVIMEBVGDXMTFY-MAUKXSAKSA-N 1 1 391.487 3.998 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001458253923 1063697171 /nfs/dbraw/zinc/69/71/71/1063697171.db2.gz RCTMQFOHLMTYNG-WBVHZDCISA-N 1 1 392.459 3.648 20 5 GHBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1 ZINC001458481527 1063838097 /nfs/dbraw/zinc/83/80/97/1063838097.db2.gz LNUKZSHGNNRVCF-MRXNPFEDSA-N 1 1 379.382 3.977 20 5 GHBDMO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1(C)C ZINC001459570359 1064131629 /nfs/dbraw/zinc/13/16/29/1064131629.db2.gz YGXZYONQRORMTR-RDTXWAMCSA-N 1 1 394.859 3.934 20 5 GHBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1(C)C ZINC001459570359 1064131631 /nfs/dbraw/zinc/13/16/31/1064131631.db2.gz YGXZYONQRORMTR-RDTXWAMCSA-N 1 1 394.859 3.934 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001464446653 1065013428 /nfs/dbraw/zinc/01/34/28/1065013428.db2.gz BLJQAPUDFYEACC-ZDUSSCGKSA-N 1 1 399.944 3.967 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC001465543303 1065702957 /nfs/dbraw/zinc/70/29/57/1065702957.db2.gz INZCMTPLDDYWFV-ZDUSSCGKSA-N 1 1 388.855 3.817 20 5 GHBDMO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001465969177 1065941284 /nfs/dbraw/zinc/94/12/84/1065941284.db2.gz HRYFQDPTLBRQNH-OAHLLOKOSA-N 1 1 391.830 3.734 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001466251873 1066055678 /nfs/dbraw/zinc/05/56/78/1066055678.db2.gz WZJCHLWIQCEUCM-LJQANCHMSA-N 1 1 398.463 3.636 20 5 GHBDMO COc1ccc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001467071695 1067048073 /nfs/dbraw/zinc/04/80/73/1067048073.db2.gz VHTIJMNYHPKDTO-HXUWFJFHSA-N 1 1 398.463 3.636 20 5 GHBDMO C[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[N@H+]1CCc2ccccc2C1 ZINC001357359902 1067062739 /nfs/dbraw/zinc/06/27/39/1067062739.db2.gz PDYICFUXSQTSSI-QGZVFWFLSA-N 1 1 393.487 3.580 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001360908268 1068686790 /nfs/dbraw/zinc/68/67/90/1068686790.db2.gz BQZIIVBNSJSGRU-QGZVFWFLSA-N 1 1 385.439 3.636 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000774601264 1068747739 /nfs/dbraw/zinc/74/77/39/1068747739.db2.gz BHYYYUBCBOZHJE-MNOVXSKESA-N 1 1 392.799 3.834 20 5 GHBDMO CCOc1cc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC001460564190 1068997837 /nfs/dbraw/zinc/99/78/37/1068997837.db2.gz KPHFSNPRPHNQQJ-UHFFFAOYSA-N 1 1 394.475 3.793 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC001460811035 1069195459 /nfs/dbraw/zinc/19/54/59/1069195459.db2.gz XTCQSWYGRFYPCQ-UHFFFAOYSA-N 1 1 387.411 3.736 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC001460811035 1069195464 /nfs/dbraw/zinc/19/54/64/1069195464.db2.gz XTCQSWYGRFYPCQ-UHFFFAOYSA-N 1 1 387.411 3.736 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001460927224 1069278989 /nfs/dbraw/zinc/27/89/89/1069278989.db2.gz BCBNWYBVXDFEHJ-JZXOWHBKSA-N 1 1 375.469 3.515 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001470673860 1072681621 /nfs/dbraw/zinc/68/16/21/1072681621.db2.gz IEAOTRMVQBNPOO-KDURUIRLSA-N 1 1 377.510 3.509 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001470712358 1072699045 /nfs/dbraw/zinc/69/90/45/1072699045.db2.gz CFMUHBYEJAMGOB-NHCUHLMSSA-N 1 1 395.503 3.863 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001470780595 1072736948 /nfs/dbraw/zinc/73/69/48/1072736948.db2.gz TWTNYLMFZRDJCL-ZIPUMODLSA-N 1 1 393.487 3.725 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC001472669762 1073607642 /nfs/dbraw/zinc/60/76/42/1073607642.db2.gz MSXVQBCZCOMAKU-UHFFFAOYSA-N 1 1 397.903 3.983 20 5 GHBDMO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@H+]1Cc1ccccc1 ZINC001472716047 1073632591 /nfs/dbraw/zinc/63/25/91/1073632591.db2.gz DNEYBCLLHAFYGV-OCCSQVGLSA-N 1 1 397.401 3.812 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC001472767453 1073657159 /nfs/dbraw/zinc/65/71/59/1073657159.db2.gz LDOINVYYFHRWKC-QGZVFWFLSA-N 1 1 379.464 3.955 20 5 GHBDMO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001472831826 1073686025 /nfs/dbraw/zinc/68/60/25/1073686025.db2.gz UHLGUSJUOHFUDV-FQEVSTJZSA-N 1 1 384.436 3.850 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 ZINC001472833787 1073687128 /nfs/dbraw/zinc/68/71/28/1073687128.db2.gz BRRXAKMBHOUUKG-HNNXBMFYSA-N 1 1 393.390 3.891 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001472842806 1073690363 /nfs/dbraw/zinc/69/03/63/1073690363.db2.gz AXPUANVJXSBQPS-SFHVURJKSA-N 1 1 383.496 3.834 20 5 GHBDMO C[C@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[N@H+]1C1CCCC1 ZINC001472878233 1073708419 /nfs/dbraw/zinc/70/84/19/1073708419.db2.gz MPHBWWYMIVFKGQ-LBPRGKRZSA-N 1 1 375.860 3.645 20 5 GHBDMO C[C@@]1(Nc2ncc([N+](=O)[O-])cn2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001472893020 1073715423 /nfs/dbraw/zinc/71/54/23/1073715423.db2.gz QENBYVTYSUIQBV-RBBKRZOGSA-N 1 1 389.459 3.855 20 5 GHBDMO Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001473133981 1073797678 /nfs/dbraw/zinc/79/76/78/1073797678.db2.gz JSVCVOZVSDPNJH-VQTJNVASSA-N 1 1 384.476 3.598 20 5 GHBDMO CC(C)CNC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCCC1 ZINC001473246232 1073886016 /nfs/dbraw/zinc/88/60/16/1073886016.db2.gz VMCXAZPNUSNFIE-UHFFFAOYSA-N 1 1 377.485 3.557 20 5 GHBDMO O=C(CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCCc2ccccc21 ZINC001473342958 1073928465 /nfs/dbraw/zinc/92/84/65/1073928465.db2.gz HYXFHLHEUVPTLO-UHFFFAOYSA-N 1 1 379.460 3.929 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001473463800 1073978401 /nfs/dbraw/zinc/97/84/01/1073978401.db2.gz WUQIPCVMFMNATE-SFHVURJKSA-N 1 1 391.830 3.667 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001473463800 1073978404 /nfs/dbraw/zinc/97/84/04/1073978404.db2.gz WUQIPCVMFMNATE-SFHVURJKSA-N 1 1 391.830 3.667 20 5 GHBDMO O=C(NC1CCCC1)OC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001473526309 1074002383 /nfs/dbraw/zinc/00/23/83/1074002383.db2.gz OKOFRNASIOGPEE-LJQANCHMSA-N 1 1 375.469 3.661 20 5 GHBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC001473529305 1074003263 /nfs/dbraw/zinc/00/32/63/1074003263.db2.gz XZAZSFCGEVZSRU-UHFFFAOYSA-N 1 1 392.459 3.734 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2(CCC2)CC1 ZINC001473758751 1074126975 /nfs/dbraw/zinc/12/69/75/1074126975.db2.gz ZBAPRIPYGYCYNE-UHFFFAOYSA-N 1 1 375.469 3.960 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2(CCC2)CC1 ZINC001473758751 1074126980 /nfs/dbraw/zinc/12/69/80/1074126980.db2.gz ZBAPRIPYGYCYNE-UHFFFAOYSA-N 1 1 375.469 3.960 20 5 GHBDMO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cccc([N+](=O)[O-])c1Br ZINC001473800965 1074148589 /nfs/dbraw/zinc/14/85/89/1074148589.db2.gz FFVWKFUCBNYEQZ-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cccc([N+](=O)[O-])c1Br ZINC001473800965 1074148594 /nfs/dbraw/zinc/14/85/94/1074148594.db2.gz FFVWKFUCBNYEQZ-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001474233841 1074303099 /nfs/dbraw/zinc/30/30/99/1074303099.db2.gz GHMHUYAFDJPVEE-XLIONFOSSA-N 1 1 383.492 3.851 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC001474586682 1074472549 /nfs/dbraw/zinc/47/25/49/1074472549.db2.gz SPPUJNGBCGVZIQ-HNNXBMFYSA-N 1 1 378.375 3.794 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c21 ZINC001164631510 719108695 /nfs/dbraw/zinc/10/86/95/719108695.db2.gz YKFKNRDNSYTOEG-PXNSSMCTSA-N 1 1 389.459 3.639 20 5 GHBDMO Cc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164728518 720354606 /nfs/dbraw/zinc/35/46/06/720354606.db2.gz VYTZQSUTCFXIRU-SFTDATJTSA-N 1 1 389.459 3.700 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000066675712 837415139 /nfs/dbraw/zinc/41/51/39/837415139.db2.gz ZRVWVZZCXHNMED-UHFFFAOYSA-N 1 1 385.439 3.718 20 5 GHBDMO O=[N+]([O-])c1cc2c(nc1N1CCC[C@H](c3[nH+]cc4n3CCCC4)C1)CCCC2 ZINC000580890116 837439143 /nfs/dbraw/zinc/43/91/43/837439143.db2.gz ZIIDWXFOCYLQLK-INIZCTEOSA-N 1 1 381.480 3.785 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000049409463 834350194 /nfs/dbraw/zinc/35/01/94/834350194.db2.gz ZRVONMHFZKRSEW-MRXNPFEDSA-N 1 1 382.247 3.934 20 5 GHBDMO CCOc1cc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579768958 834612809 /nfs/dbraw/zinc/61/28/09/834612809.db2.gz YWXSQMCSYUXRSF-NHCUHLMSSA-N 1 1 395.503 3.947 20 5 GHBDMO Cc1cc(F)cc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000176789196 834687725 /nfs/dbraw/zinc/68/77/25/834687725.db2.gz VFLMSWIGEUYMIT-UHFFFAOYSA-N 1 1 385.439 3.609 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000583596531 834719260 /nfs/dbraw/zinc/71/92/60/834719260.db2.gz PSELQBRWFURICB-LJQANCHMSA-N 1 1 381.476 3.556 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000246868167 834883131 /nfs/dbraw/zinc/88/31/31/834883131.db2.gz CWUBLEJAOGIMEU-UZLBHIALSA-N 1 1 382.464 3.663 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000246868167 834883141 /nfs/dbraw/zinc/88/31/41/834883141.db2.gz CWUBLEJAOGIMEU-UZLBHIALSA-N 1 1 382.464 3.663 20 5 GHBDMO CN(C)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc[nH+]1 ZINC000444094022 835037268 /nfs/dbraw/zinc/03/72/68/835037268.db2.gz CXNGSLCWGTWNOY-UHFFFAOYSA-N 1 1 394.381 3.673 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000471149980 835066430 /nfs/dbraw/zinc/06/64/30/835066430.db2.gz YWBUYWZDEJKUTE-IBGZPJMESA-N 1 1 397.475 3.634 20 5 GHBDMO COc1cc(CN2CCC[N@H+](C3CCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000512497685 844015557 /nfs/dbraw/zinc/01/55/57/844015557.db2.gz ZLJLMHLCLZCLQM-UHFFFAOYSA-N 1 1 399.438 3.655 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000135804903 835228555 /nfs/dbraw/zinc/22/85/55/835228555.db2.gz NVEUGIQZFHJGSW-CQSZACIVSA-N 1 1 389.521 3.844 20 5 GHBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000179342515 835537271 /nfs/dbraw/zinc/53/72/71/835537271.db2.gz XVJARKABMAKFNV-INIZCTEOSA-N 1 1 383.448 3.593 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000612131841 835580521 /nfs/dbraw/zinc/58/05/21/835580521.db2.gz FMRCWEBARIVXMV-SESVDKBCSA-N 1 1 379.460 3.625 20 5 GHBDMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000411988620 836475070 /nfs/dbraw/zinc/47/50/70/836475070.db2.gz SEAVUFSMYOBMCR-KRWDZBQOSA-N 1 1 390.505 3.967 20 5 GHBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247142229 836937532 /nfs/dbraw/zinc/93/75/32/836937532.db2.gz WGDFCLLSQIKHLV-SJLPKXTDSA-N 1 1 385.489 3.783 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001167240404 837004798 /nfs/dbraw/zinc/00/47/98/837004798.db2.gz DCNZHCDWNXLUKC-QGZVFWFLSA-N 1 1 390.484 3.601 20 5 GHBDMO Nc1ccc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c([N+](=O)[O-])c1 ZINC000376418946 837089928 /nfs/dbraw/zinc/08/99/28/837089928.db2.gz DCIDBEORNUORMA-UHFFFAOYSA-N 1 1 393.447 3.909 20 5 GHBDMO C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000579908056 837146461 /nfs/dbraw/zinc/14/64/61/837146461.db2.gz DMUGUNGJUTZCKG-UGSOOPFHSA-N 1 1 375.856 3.771 20 5 GHBDMO C[C@@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175735997 837231361 /nfs/dbraw/zinc/23/13/61/837231361.db2.gz BSJDJBMKGBDSGU-IEBWSBKVSA-N 1 1 396.491 3.819 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180532460 837330342 /nfs/dbraw/zinc/33/03/42/837330342.db2.gz UCFHFOOIWXSPQM-CYBMUJFWSA-N 1 1 398.301 3.742 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000365694606 837919459 /nfs/dbraw/zinc/91/94/59/837919459.db2.gz KXBAXUSCBRQWFE-SFHVURJKSA-N 1 1 397.475 3.937 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000302050947 861191047 /nfs/dbraw/zinc/19/10/47/861191047.db2.gz NWGFHHOBUDYRNN-MRXNPFEDSA-N 1 1 395.381 3.792 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)nc1 ZINC000118866244 838735371 /nfs/dbraw/zinc/73/53/71/838735371.db2.gz IUXDBCGSQTUJGP-KRWDZBQOSA-N 1 1 391.431 3.864 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365794765 838985962 /nfs/dbraw/zinc/98/59/62/838985962.db2.gz LDZJLJUJFUJCBG-UWVGGRQHSA-N 1 1 380.317 3.683 20 5 GHBDMO CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000121179365 838999254 /nfs/dbraw/zinc/99/92/54/838999254.db2.gz VDJXXWHBDJVLFC-MJGOQNOKSA-N 1 1 395.459 3.750 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000398098432 844423679 /nfs/dbraw/zinc/42/36/79/844423679.db2.gz RPWOJBPNZMWLRE-AUUYWEPGSA-N 1 1 387.867 3.889 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000398098435 844423840 /nfs/dbraw/zinc/42/38/40/844423840.db2.gz RPWOJBPNZMWLRE-IFXJQAMLSA-N 1 1 387.867 3.889 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000175852510 840161439 /nfs/dbraw/zinc/16/14/39/840161439.db2.gz SHJCIZGZCQEJMP-PBHICJAKSA-N 1 1 392.477 3.632 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000247316462 840250475 /nfs/dbraw/zinc/25/04/75/840250475.db2.gz ILTACTLGTFBIFL-LFUKPOHLSA-N 1 1 381.476 3.790 20 5 GHBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000580846471 840330443 /nfs/dbraw/zinc/33/04/43/840330443.db2.gz MQTPAZPCOLWPEY-RXVVDRJESA-N 1 1 381.476 3.787 20 5 GHBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000580846471 840330456 /nfs/dbraw/zinc/33/04/56/840330456.db2.gz MQTPAZPCOLWPEY-RXVVDRJESA-N 1 1 381.476 3.787 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)c1 ZINC000432020259 840548790 /nfs/dbraw/zinc/54/87/90/840548790.db2.gz RGTZLGQHUMYQSC-UZLBHIALSA-N 1 1 392.402 3.840 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)c1 ZINC000432020259 840548800 /nfs/dbraw/zinc/54/88/00/840548800.db2.gz RGTZLGQHUMYQSC-UZLBHIALSA-N 1 1 392.402 3.840 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000053232748 840572258 /nfs/dbraw/zinc/57/22/58/840572258.db2.gz VTXUTPJZGKCLDT-GFCCVEGCSA-N 1 1 377.828 3.888 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000053232748 840572264 /nfs/dbraw/zinc/57/22/64/840572264.db2.gz VTXUTPJZGKCLDT-GFCCVEGCSA-N 1 1 377.828 3.888 20 5 GHBDMO COCCCC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000419383535 844567108 /nfs/dbraw/zinc/56/71/08/844567108.db2.gz KVYGTRVKQBMYJQ-HXUWFJFHSA-N 1 1 385.464 3.941 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)[NH+]1CCOCC1 ZINC000110720632 840695424 /nfs/dbraw/zinc/69/54/24/840695424.db2.gz MQNRSARLJREYRO-CQSZACIVSA-N 1 1 394.431 3.722 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC000511802533 840807613 /nfs/dbraw/zinc/80/76/13/840807613.db2.gz PLOSHKNLROCHQZ-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511846070 840939667 /nfs/dbraw/zinc/93/96/67/840939667.db2.gz SSEZSNDJYAURPC-WCIQWLHISA-N 1 1 382.460 3.603 20 5 GHBDMO CN(C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000511856477 840969800 /nfs/dbraw/zinc/96/98/00/840969800.db2.gz XNPDSDQTHHGLHC-NJYVYQBISA-N 1 1 379.460 3.826 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000123049261 841317103 /nfs/dbraw/zinc/31/71/03/841317103.db2.gz KRXPOKDBOWZMLR-QGZVFWFLSA-N 1 1 398.463 3.589 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000500072793 841371286 /nfs/dbraw/zinc/37/12/86/841371286.db2.gz IEZLOYLTCNAOFH-LJQANCHMSA-N 1 1 396.491 3.520 20 5 GHBDMO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000500072793 841371300 /nfs/dbraw/zinc/37/13/00/841371300.db2.gz IEZLOYLTCNAOFH-LJQANCHMSA-N 1 1 396.491 3.520 20 5 GHBDMO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000500072793 841371313 /nfs/dbraw/zinc/37/13/13/841371313.db2.gz IEZLOYLTCNAOFH-LJQANCHMSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000131099337 861194460 /nfs/dbraw/zinc/19/44/60/861194460.db2.gz OOIGZXLTSGCVOG-APWZRJJASA-N 1 1 399.516 3.607 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCN(C)c1ccccc1 ZINC000107682973 841429147 /nfs/dbraw/zinc/42/91/47/841429147.db2.gz UUNSLGKKMBFLOF-HNNXBMFYSA-N 1 1 381.436 3.774 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCN(C)c1ccccc1 ZINC000107682973 841429156 /nfs/dbraw/zinc/42/91/56/841429156.db2.gz UUNSLGKKMBFLOF-HNNXBMFYSA-N 1 1 381.436 3.774 20 5 GHBDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000500099248 841433430 /nfs/dbraw/zinc/43/34/30/841433430.db2.gz OVWMHSBVDCTLAO-ZDUSSCGKSA-N 1 1 376.482 3.944 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000510433660 841720495 /nfs/dbraw/zinc/72/04/95/841720495.db2.gz GBFWIAKRGRVERT-WBVHZDCISA-N 1 1 393.447 3.527 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](n3ncc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000510433660 841720504 /nfs/dbraw/zinc/72/05/04/841720504.db2.gz GBFWIAKRGRVERT-WBVHZDCISA-N 1 1 393.447 3.527 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000510433659 841720847 /nfs/dbraw/zinc/72/08/47/841720847.db2.gz GBFWIAKRGRVERT-RDJZCZTQSA-N 1 1 393.447 3.527 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](n3ncc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000510433659 841720853 /nfs/dbraw/zinc/72/08/53/841720853.db2.gz GBFWIAKRGRVERT-RDJZCZTQSA-N 1 1 393.447 3.527 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511656171 841723823 /nfs/dbraw/zinc/72/38/23/841723823.db2.gz MGTPWFRSYPVSMO-QHAWAJNXSA-N 1 1 382.460 3.998 20 5 GHBDMO CNC(=O)c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000053571952 841806464 /nfs/dbraw/zinc/80/64/64/841806464.db2.gz HIUMMBSBDRKIMH-MRXNPFEDSA-N 1 1 396.491 3.798 20 5 GHBDMO C[N@H+](CCCCO)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000276430906 841896465 /nfs/dbraw/zinc/89/64/65/841896465.db2.gz SGZVFKYVVFOXGW-SFHVURJKSA-N 1 1 391.855 3.632 20 5 GHBDMO C[N@@H+](CCCCO)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000276430906 841896472 /nfs/dbraw/zinc/89/64/72/841896472.db2.gz SGZVFKYVVFOXGW-SFHVURJKSA-N 1 1 391.855 3.632 20 5 GHBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000121429018 841969155 /nfs/dbraw/zinc/96/91/55/841969155.db2.gz XPQHRHVSDKBCRV-KBPBESRZSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000157461708 842128562 /nfs/dbraw/zinc/12/85/62/842128562.db2.gz PKKSJJDXNKWVPR-KRWDZBQOSA-N 1 1 388.512 3.510 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000175975850 842553249 /nfs/dbraw/zinc/55/32/49/842553249.db2.gz FTOGLCBTHWTFGE-MAUKXSAKSA-N 1 1 388.493 3.539 20 5 GHBDMO COc1c(O)ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000891749832 842815581 /nfs/dbraw/zinc/81/55/81/842815581.db2.gz YSCPLTKZEAQBHD-UHFFFAOYSA-N 1 1 386.448 3.533 20 5 GHBDMO CCOc1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000599579812 861358773 /nfs/dbraw/zinc/35/87/73/861358773.db2.gz CUGWWTJMXVLSOK-ZBFHGGJFSA-N 1 1 378.469 3.793 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000599579812 861358792 /nfs/dbraw/zinc/35/87/92/861358792.db2.gz CUGWWTJMXVLSOK-ZBFHGGJFSA-N 1 1 378.469 3.793 20 5 GHBDMO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000107716453 842926440 /nfs/dbraw/zinc/92/64/40/842926440.db2.gz WZCRCFWSEMGFDT-UHFFFAOYSA-N 1 1 382.507 3.517 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302835188 861381431 /nfs/dbraw/zinc/38/14/31/861381431.db2.gz UVUNVRASBLWVNK-AZUAARDMSA-N 1 1 382.464 3.590 20 5 GHBDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000510676440 843172015 /nfs/dbraw/zinc/17/20/15/843172015.db2.gz XSKIKXWKKSZRHI-HNNXBMFYSA-N 1 1 383.477 3.831 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000538083979 843297078 /nfs/dbraw/zinc/29/70/78/843297078.db2.gz LADBEKCMVVQNPS-APWZRJJASA-N 1 1 396.491 3.980 20 5 GHBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000056168702 861443058 /nfs/dbraw/zinc/44/30/58/861443058.db2.gz BOLMLLIUZZJAMT-YJBOKZPZSA-N 1 1 383.448 3.559 20 5 GHBDMO CCOCC[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000056178498 861444244 /nfs/dbraw/zinc/44/42/44/861444244.db2.gz FXFXMMYSEYNGBL-KRWDZBQOSA-N 1 1 377.828 3.554 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000510873041 843683337 /nfs/dbraw/zinc/68/33/37/843683337.db2.gz CZXQEURXNFBTQF-LLVKDONJSA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000510873041 843683339 /nfs/dbraw/zinc/68/33/39/843683339.db2.gz CZXQEURXNFBTQF-LLVKDONJSA-N 1 1 393.793 3.529 20 5 GHBDMO C[NH+](C)Cc1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1Cl ZINC000500745865 843932234 /nfs/dbraw/zinc/93/22/34/843932234.db2.gz RIMFRFVCMLCBDC-UHFFFAOYSA-N 1 1 399.838 3.748 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(-c4ccccc4Cl)on3)C2)nc1 ZINC000419225012 844885224 /nfs/dbraw/zinc/88/52/24/844885224.db2.gz ODSUIXYIFUMTNA-ZDUSSCGKSA-N 1 1 399.838 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4Cl)on3)C2)nc1 ZINC000419225012 844885234 /nfs/dbraw/zinc/88/52/34/844885234.db2.gz ODSUIXYIFUMTNA-ZDUSSCGKSA-N 1 1 399.838 3.985 20 5 GHBDMO CC[C@H](NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176244131 844922093 /nfs/dbraw/zinc/92/20/93/844922093.db2.gz ZUXXDDAKXYSTNG-IBGZPJMESA-N 1 1 397.479 3.718 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000513392806 845347176 /nfs/dbraw/zinc/34/71/76/845347176.db2.gz YCMDTAACORIOFV-SJLPKXTDSA-N 1 1 390.867 3.695 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000182634953 845515557 /nfs/dbraw/zinc/51/55/57/845515557.db2.gz BWCPOAGXJTZMOJ-INIZCTEOSA-N 1 1 385.439 3.951 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000182634953 845515568 /nfs/dbraw/zinc/51/55/68/845515568.db2.gz BWCPOAGXJTZMOJ-INIZCTEOSA-N 1 1 385.439 3.951 20 5 GHBDMO O=[N+]([O-])c1c(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)ccc2ncccc21 ZINC000084490483 845557091 /nfs/dbraw/zinc/55/70/91/845557091.db2.gz KTBFFWWSQDLQAE-UHFFFAOYSA-N 1 1 395.438 3.516 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000182856927 845579633 /nfs/dbraw/zinc/57/96/33/845579633.db2.gz JDKICQHPTRUXSL-CQSZACIVSA-N 1 1 383.477 3.791 20 5 GHBDMO Cc1cccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000604016360 861587292 /nfs/dbraw/zinc/58/72/92/861587292.db2.gz VMWGVQHPQYFQQD-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO Cc1cccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000604016360 861587307 /nfs/dbraw/zinc/58/73/07/861587307.db2.gz VMWGVQHPQYFQQD-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCCCC2 ZINC001167540026 846108135 /nfs/dbraw/zinc/10/81/35/846108135.db2.gz UICFAZBVYMRYPU-RBUKOAKNSA-N 1 1 390.480 3.941 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@]34CCOC4)o2)c(Br)c1 ZINC000421401177 846194519 /nfs/dbraw/zinc/19/45/19/846194519.db2.gz TTYNCLMYGMHSPB-KRWDZBQOSA-N 1 1 393.237 3.982 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000072014219 846198017 /nfs/dbraw/zinc/19/80/17/846198017.db2.gz AMUGPHVXVBTTHI-UHFFFAOYSA-N 1 1 382.420 3.718 20 5 GHBDMO C[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511067970 846252467 /nfs/dbraw/zinc/25/24/67/846252467.db2.gz XSRTUBKLJUHMKG-CQSZACIVSA-N 1 1 375.856 3.600 20 5 GHBDMO C[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511067970 846252475 /nfs/dbraw/zinc/25/24/75/846252475.db2.gz XSRTUBKLJUHMKG-CQSZACIVSA-N 1 1 375.856 3.600 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280261735 846344772 /nfs/dbraw/zinc/34/47/72/846344772.db2.gz XTYVBKMRNVDQCG-FUHWJXTLSA-N 1 1 397.475 3.634 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Cc1ccc(F)cc1 ZINC000551714509 846487950 /nfs/dbraw/zinc/48/79/50/846487950.db2.gz KQLBGAPVLFXUSD-UHFFFAOYSA-N 1 1 399.344 3.615 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093145656 846488285 /nfs/dbraw/zinc/48/82/85/846488285.db2.gz SSNQXDANDZUXFQ-MRXNPFEDSA-N 1 1 388.464 3.774 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000421699823 846506750 /nfs/dbraw/zinc/50/67/50/846506750.db2.gz BZOSHPWNKITDRO-MRXNPFEDSA-N 1 1 399.447 3.562 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000511091525 846630719 /nfs/dbraw/zinc/63/07/19/846630719.db2.gz LYJPZLNCZYEFOZ-UGKGYDQZSA-N 1 1 384.476 3.524 20 5 GHBDMO CC[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[N@H+]1CCc2ccccc2C1 ZINC000501347001 846859247 /nfs/dbraw/zinc/85/92/47/846859247.db2.gz KHEDDZXNBREGAE-QGZVFWFLSA-N 1 1 398.463 3.562 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccnc3ccnn32)ccc1Oc1ccc(F)cc1 ZINC000478380134 847057437 /nfs/dbraw/zinc/05/74/37/847057437.db2.gz CPUNDSFZQFUHPD-UHFFFAOYSA-N 1 1 393.378 3.859 20 5 GHBDMO CC[N@@H+](CC(C)(C)O)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000158216080 847086952 /nfs/dbraw/zinc/08/69/52/847086952.db2.gz FRPIESXYVQSZJB-IBGZPJMESA-N 1 1 385.464 3.676 20 5 GHBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501802269 847202398 /nfs/dbraw/zinc/20/23/98/847202398.db2.gz FWBPTUOSEUXOMG-SJORKVTESA-N 1 1 397.475 3.556 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000501802268 847202811 /nfs/dbraw/zinc/20/28/11/847202811.db2.gz FWBPTUOSEUXOMG-IRXDYDNUSA-N 1 1 397.475 3.556 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000127696949 847319504 /nfs/dbraw/zinc/31/95/04/847319504.db2.gz CBIBJCSAJHUWCE-INIZCTEOSA-N 1 1 382.464 3.950 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000127696949 847319516 /nfs/dbraw/zinc/31/95/16/847319516.db2.gz CBIBJCSAJHUWCE-INIZCTEOSA-N 1 1 382.464 3.950 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183363923 847337138 /nfs/dbraw/zinc/33/71/38/847337138.db2.gz HIZBGAVJITXZRZ-ACJLOTCBSA-N 1 1 398.394 3.998 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183363923 847337146 /nfs/dbraw/zinc/33/71/46/847337146.db2.gz HIZBGAVJITXZRZ-ACJLOTCBSA-N 1 1 398.394 3.998 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000481602706 861804112 /nfs/dbraw/zinc/80/41/12/861804112.db2.gz AIRRBXVUAYCMRR-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO CC(C)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)c1ccsc1 ZINC000421009768 847608504 /nfs/dbraw/zinc/60/85/04/847608504.db2.gz NRZQAVWTKBBFNK-LBPRGKRZSA-N 1 1 391.449 3.795 20 5 GHBDMO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)c1ccsc1 ZINC000421009768 847608512 /nfs/dbraw/zinc/60/85/12/847608512.db2.gz NRZQAVWTKBBFNK-LBPRGKRZSA-N 1 1 391.449 3.795 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]3CCC[C@@H]3OCc3ccccc3)n2)cc1 ZINC000503526727 847759844 /nfs/dbraw/zinc/75/98/44/847759844.db2.gz RSHQTASLCYFYBM-OALUTQOASA-N 1 1 394.431 3.872 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000092783900 847942991 /nfs/dbraw/zinc/94/29/91/847942991.db2.gz LMSLTNKXDHLWOA-VWGXWWAPSA-N 1 1 379.460 3.750 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000131964084 861852839 /nfs/dbraw/zinc/85/28/39/861852839.db2.gz VCRNIDJRDKQAHO-LJQANCHMSA-N 1 1 398.463 3.819 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000582742775 848260209 /nfs/dbraw/zinc/26/02/09/848260209.db2.gz MJCXAUQRTRYPPV-LBPRGKRZSA-N 1 1 389.506 3.985 20 5 GHBDMO CSCC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nnc2ccccn21 ZINC000582856905 848571574 /nfs/dbraw/zinc/57/15/74/848571574.db2.gz UICYGJICCXUFAS-HZPDHXFCSA-N 1 1 383.477 3.709 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000434901726 849884317 /nfs/dbraw/zinc/88/43/17/849884317.db2.gz YOFJSIJZMWZZQH-MAUKXSAKSA-N 1 1 383.448 3.810 20 5 GHBDMO COCC[N@@H+](C)CC[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000434948835 849938457 /nfs/dbraw/zinc/93/84/57/849938457.db2.gz XBYLEFHJMVQUNH-MRXNPFEDSA-N 1 1 378.860 3.765 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481703529 862079311 /nfs/dbraw/zinc/07/93/11/862079311.db2.gz LABWUSGQUOBJSU-QFIPXVFZSA-N 1 1 395.459 3.753 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc2)C1 ZINC000486758786 850061851 /nfs/dbraw/zinc/06/18/51/850061851.db2.gz LRTKZASPTPQEQI-CQSZACIVSA-N 1 1 397.431 3.808 20 5 GHBDMO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(C1CC1)C1CC1 ZINC000435326452 850358469 /nfs/dbraw/zinc/35/84/69/850358469.db2.gz CZJLCKCUIMBHBK-UHFFFAOYSA-N 1 1 386.477 3.777 20 5 GHBDMO C[C@H]([NH3+])[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435381042 850446260 /nfs/dbraw/zinc/44/62/60/850446260.db2.gz UTMRAXUWASILQJ-WMZOPIPTSA-N 1 1 391.475 3.617 20 5 GHBDMO COCC[N@@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426510690 850487641 /nfs/dbraw/zinc/48/76/41/850487641.db2.gz WQFFOKSSLWDLTK-LJQANCHMSA-N 1 1 385.464 3.600 20 5 GHBDMO CC[NH+]1CCN(c2ccc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)cc2F)CC1 ZINC000504990864 850510210 /nfs/dbraw/zinc/51/02/10/850510210.db2.gz IUJQJHBODSOESX-UHFFFAOYSA-N 1 1 397.410 3.593 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000481729052 862140180 /nfs/dbraw/zinc/14/01/80/862140180.db2.gz VRWGXRKSKIRSAG-JOCHJYFZSA-N 1 1 395.459 3.753 20 5 GHBDMO Cc1cc(CN2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)no1 ZINC000506721396 850593058 /nfs/dbraw/zinc/59/30/58/850593058.db2.gz AYOFBZGVQNJZKK-UHFFFAOYSA-N 1 1 398.488 3.938 20 5 GHBDMO COc1cc(C[N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])ccc1O ZINC000425390953 850604401 /nfs/dbraw/zinc/60/44/01/850604401.db2.gz CQDOSGSMSGSVQQ-UHFFFAOYSA-N 1 1 381.226 3.704 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])ccc1O ZINC000425390953 850604408 /nfs/dbraw/zinc/60/44/08/850604408.db2.gz CQDOSGSMSGSVQQ-UHFFFAOYSA-N 1 1 381.226 3.704 20 5 GHBDMO CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487253076 850622288 /nfs/dbraw/zinc/62/22/88/850622288.db2.gz UDDGSEOXFJELAG-VQIMIIECSA-N 1 1 397.475 3.634 20 5 GHBDMO Cc1ccc(-c2cc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)on2)cc1 ZINC000515135171 850725044 /nfs/dbraw/zinc/72/50/44/850725044.db2.gz VLVZRRYYFZECSV-UHFFFAOYSA-N 1 1 378.432 3.880 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000436041059 851137947 /nfs/dbraw/zinc/13/79/47/851137947.db2.gz OTYHYHVVOXEODZ-GOSISDBHSA-N 1 1 397.475 3.730 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000436041059 851137951 /nfs/dbraw/zinc/13/79/51/851137951.db2.gz OTYHYHVVOXEODZ-GOSISDBHSA-N 1 1 397.475 3.730 20 5 GHBDMO Cc1ccc(C[NH2+][C@H](CCO)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000514246887 851470505 /nfs/dbraw/zinc/47/05/05/851470505.db2.gz RWWXRYGUOBGCHM-MRXNPFEDSA-N 1 1 379.254 3.879 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505483449 851525891 /nfs/dbraw/zinc/52/58/91/851525891.db2.gz JAEYQROJMAMRFO-KRWDZBQOSA-N 1 1 385.489 3.666 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000488484713 851555464 /nfs/dbraw/zinc/55/54/64/851555464.db2.gz XORMSWTYSFEHMJ-KDOFPFPSSA-N 1 1 387.867 3.889 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425547540 851615635 /nfs/dbraw/zinc/61/56/35/851615635.db2.gz FVBMMPXFSTYDHO-FQEVSTJZSA-N 1 1 387.480 3.513 20 5 GHBDMO COc1cc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])cc1F ZINC000184256573 851819729 /nfs/dbraw/zinc/81/97/29/851819729.db2.gz FYDGMFOSNIMROH-UHFFFAOYSA-N 1 1 384.411 3.998 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000429176215 862344346 /nfs/dbraw/zinc/34/43/46/862344346.db2.gz WSQZZEGGXPWDJP-INIZCTEOSA-N 1 1 391.880 3.714 20 5 GHBDMO CNC(=O)C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000481822501 862348971 /nfs/dbraw/zinc/34/89/71/862348971.db2.gz HLEUNWHJIGBFKP-IBGZPJMESA-N 1 1 379.416 3.822 20 5 GHBDMO Cc1cc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000507099975 852557590 /nfs/dbraw/zinc/55/75/90/852557590.db2.gz DARYTVJYFUEUSF-UHFFFAOYSA-N 1 1 381.476 3.684 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425662163 852562648 /nfs/dbraw/zinc/56/26/48/852562648.db2.gz NMNHAKCAICUOSG-AZUAARDMSA-N 1 1 394.475 3.950 20 5 GHBDMO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000490061947 852743235 /nfs/dbraw/zinc/74/32/35/852743235.db2.gz XLZSRSZAVRAKEJ-AEFFLSMTSA-N 1 1 388.489 3.555 20 5 GHBDMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000490061947 852743239 /nfs/dbraw/zinc/74/32/39/852743239.db2.gz XLZSRSZAVRAKEJ-AEFFLSMTSA-N 1 1 388.489 3.555 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000437843180 852744771 /nfs/dbraw/zinc/74/47/71/852744771.db2.gz SBADOFHOSCDCQY-OAHLLOKOSA-N 1 1 397.422 3.723 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCS(=O)(=O)c2ccccc2)c2ccccc2)c1 ZINC000490184673 852794566 /nfs/dbraw/zinc/79/45/66/852794566.db2.gz NBRQYDZDFQRBIH-NRFANRHFSA-N 1 1 396.468 3.748 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437152255 852801964 /nfs/dbraw/zinc/80/19/64/852801964.db2.gz SPHPHBIBIDMANN-MRXNPFEDSA-N 1 1 393.365 3.618 20 5 GHBDMO COc1c(C)cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000507605387 853082503 /nfs/dbraw/zinc/08/25/03/853082503.db2.gz ALHPYPRPNHRCQR-MRXNPFEDSA-N 1 1 385.464 3.988 20 5 GHBDMO COc1c(C)cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000507605387 853082509 /nfs/dbraw/zinc/08/25/09/853082509.db2.gz ALHPYPRPNHRCQR-MRXNPFEDSA-N 1 1 385.464 3.988 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c2ncccc12 ZINC000029526038 853177737 /nfs/dbraw/zinc/17/77/37/853177737.db2.gz ZDPDNKOCLHKFTG-FQEVSTJZSA-N 1 1 378.432 3.628 20 5 GHBDMO C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490760115 853224202 /nfs/dbraw/zinc/22/42/02/853224202.db2.gz UBENYQMZIUPABY-NVXWUHKLSA-N 1 1 392.459 3.717 20 5 GHBDMO Cc1cc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)ncn1 ZINC000518374239 853271838 /nfs/dbraw/zinc/27/18/38/853271838.db2.gz BCTPYQLWDGJMTP-UHFFFAOYSA-N 1 1 395.488 3.744 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2(N3CCCC3)CCOCC2)c2ccccc2)c1 ZINC000491016587 853399061 /nfs/dbraw/zinc/39/90/61/853399061.db2.gz CUBGTWZYVIOOJE-QFIPXVFZSA-N 1 1 395.503 3.919 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491143373 853458350 /nfs/dbraw/zinc/45/83/50/853458350.db2.gz YEKYTUSNESHWSE-UHFFFAOYSA-N 1 1 392.818 3.633 20 5 GHBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067361787 853468789 /nfs/dbraw/zinc/46/87/89/853468789.db2.gz ZVLRSUFRONIULC-SFHVURJKSA-N 1 1 399.516 3.715 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(CNC3CC[NH+](Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000556040522 862473518 /nfs/dbraw/zinc/47/35/18/862473518.db2.gz JBNWNOBNWQQVGV-UHFFFAOYSA-N 1 1 399.882 3.879 20 5 GHBDMO CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760656404 853670164 /nfs/dbraw/zinc/67/01/64/853670164.db2.gz ULPWLIKYBRKGAX-QGZVFWFLSA-N 1 1 387.867 3.985 20 5 GHBDMO CCOc1ccc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000517341543 853672257 /nfs/dbraw/zinc/67/22/57/853672257.db2.gz FFVBNTUMXBECLO-HNNXBMFYSA-N 1 1 399.447 3.639 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H]1C1CC1)Nc1cc(N2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000591013123 853718994 /nfs/dbraw/zinc/71/89/94/853718994.db2.gz WKTZOJGRAOUNPH-VQTJNVASSA-N 1 1 398.507 3.787 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H](O)C(F)(F)F ZINC000589197963 854743604 /nfs/dbraw/zinc/74/36/04/854743604.db2.gz GGSGYPYQJPIWSE-CQSZACIVSA-N 1 1 378.734 3.863 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H](O)C(F)(F)F ZINC000589197963 854743606 /nfs/dbraw/zinc/74/36/06/854743606.db2.gz GGSGYPYQJPIWSE-CQSZACIVSA-N 1 1 378.734 3.863 20 5 GHBDMO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@@H](CC(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000589209576 854750161 /nfs/dbraw/zinc/75/01/61/854750161.db2.gz NZFRIKLPVHMHKR-INIZCTEOSA-N 1 1 385.489 3.752 20 5 GHBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3cc(C)ccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000482021279 862615493 /nfs/dbraw/zinc/61/54/93/862615493.db2.gz SMGKLMFBVZKNGR-FPOVZHCZSA-N 1 1 395.459 3.620 20 5 GHBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000482049042 862641220 /nfs/dbraw/zinc/64/12/20/862641220.db2.gz ZIVDUWWCFYFBIW-TZIWHRDSSA-N 1 1 395.459 3.620 20 5 GHBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301478372 855119557 /nfs/dbraw/zinc/11/95/57/855119557.db2.gz QDDBXSSXDBZXJF-ZDUSSCGKSA-N 1 1 380.370 3.892 20 5 GHBDMO C[C@H](c1ccccn1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301579167 855248553 /nfs/dbraw/zinc/24/85/53/855248553.db2.gz UFGKDROGLOEETA-CYBMUJFWSA-N 1 1 380.370 3.892 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000248405748 855278600 /nfs/dbraw/zinc/27/86/00/855278600.db2.gz RSXFUKJUHPLJIR-JZXOWHBKSA-N 1 1 388.512 3.916 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)cc2[N+](=O)[O-])cc1 ZINC000590447072 855423624 /nfs/dbraw/zinc/42/36/24/855423624.db2.gz YBEBAUBSCWAZDW-QFBILLFUSA-N 1 1 397.500 3.831 20 5 GHBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000590447112 855424423 /nfs/dbraw/zinc/42/44/23/855424423.db2.gz YHZHURSNVARJPO-KXBFYZLASA-N 1 1 383.473 3.522 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000591026173 855746050 /nfs/dbraw/zinc/74/60/50/855746050.db2.gz CMETWPPPEMQZBR-VXGBXAGGSA-N 1 1 389.374 3.595 20 5 GHBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000129575137 855768399 /nfs/dbraw/zinc/76/83/99/855768399.db2.gz TWUDZWFXSHNKRC-UHFFFAOYSA-N 1 1 385.445 3.811 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000129575137 855768423 /nfs/dbraw/zinc/76/84/23/855768423.db2.gz TWUDZWFXSHNKRC-UHFFFAOYSA-N 1 1 385.445 3.811 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H]1CC=CCC1 ZINC000485113832 856111833 /nfs/dbraw/zinc/11/18/33/856111833.db2.gz PREMTTTUHZUDBN-QGZVFWFLSA-N 1 1 375.469 3.537 20 5 GHBDMO COc1cc(F)c([N+](=O)[O-])c(NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000301425026 856352676 /nfs/dbraw/zinc/35/26/76/856352676.db2.gz BTOWOTCKORYZPR-UHFFFAOYSA-N 1 1 392.431 3.671 20 5 GHBDMO CNC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301437928 856361934 /nfs/dbraw/zinc/36/19/34/856361934.db2.gz SOZNPGDSKCJFCA-KDOFPFPSSA-N 1 1 388.493 3.511 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000043149392 856487701 /nfs/dbraw/zinc/48/77/01/856487701.db2.gz BXSRMSHUMDBLQE-UHFFFAOYSA-N 1 1 382.464 3.951 20 5 GHBDMO Cc1ncsc1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130331 856669075 /nfs/dbraw/zinc/66/90/75/856669075.db2.gz CFNSDEPZHCFYFR-QAQDUYKDSA-N 1 1 375.494 3.708 20 5 GHBDMO Cc1ccc(C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC2CC2)cn1 ZINC000592145796 856710133 /nfs/dbraw/zinc/71/01/33/856710133.db2.gz BHSAEFMFRZHTKP-UHFFFAOYSA-N 1 1 382.464 3.847 20 5 GHBDMO CN(C(=O)C[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000592187960 856791248 /nfs/dbraw/zinc/79/12/48/856791248.db2.gz QIIZUFBXZYXERL-NRFANRHFSA-N 1 1 377.444 3.951 20 5 GHBDMO CN(C(=O)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000592187960 856791256 /nfs/dbraw/zinc/79/12/56/856791256.db2.gz QIIZUFBXZYXERL-NRFANRHFSA-N 1 1 377.444 3.951 20 5 GHBDMO COc1cccc([C@H](C)[NH+]2CCN(c3cc(OC)c(F)cc3[N+](=O)[O-])CC2)c1 ZINC000301642529 856800740 /nfs/dbraw/zinc/80/07/40/856800740.db2.gz ZLAPQZROESWKSC-AWEZNQCLSA-N 1 1 389.427 3.634 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000245483015 856899717 /nfs/dbraw/zinc/89/97/17/856899717.db2.gz DTFVQAOAGXJPJK-DYESRHJHSA-N 1 1 397.475 3.941 20 5 GHBDMO CCc1ccc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000173389896 856901596 /nfs/dbraw/zinc/90/15/96/856901596.db2.gz AIQMQQMCTBOMDC-OAHLLOKOSA-N 1 1 383.448 3.803 20 5 GHBDMO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000245601133 856992107 /nfs/dbraw/zinc/99/21/07/856992107.db2.gz OWCOEXHCFJFZLP-VHKYSDTDSA-N 1 1 389.883 3.971 20 5 GHBDMO CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592695300 857027932 /nfs/dbraw/zinc/02/79/32/857027932.db2.gz YJEMFDIKUBCDGK-SFHVURJKSA-N 1 1 385.439 3.859 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906414381 857084092 /nfs/dbraw/zinc/08/40/92/857084092.db2.gz OKPQCUDYTZOWGT-UHFFFAOYSA-N 1 1 381.904 3.760 20 5 GHBDMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000552869619 857087621 /nfs/dbraw/zinc/08/76/21/857087621.db2.gz WEUVRJLHOANLQH-SFHVURJKSA-N 1 1 383.379 3.588 20 5 GHBDMO O=c1cc2c(n[nH]1)CC[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C2 ZINC000482278606 862877496 /nfs/dbraw/zinc/87/74/96/862877496.db2.gz PSFKDQZWPJRCNU-UHFFFAOYSA-N 1 1 386.795 3.562 20 5 GHBDMO CC[C@@](C)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173944053 857185339 /nfs/dbraw/zinc/18/53/39/857185339.db2.gz NZUSUIIUZOEAJX-MRXNPFEDSA-N 1 1 382.873 3.867 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400244 857210060 /nfs/dbraw/zinc/21/00/60/857210060.db2.gz NJKFEQZWLADMSC-SFHVURJKSA-N 1 1 388.855 3.519 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000245993210 857211675 /nfs/dbraw/zinc/21/16/75/857211675.db2.gz XGQXLWTUGNUNKZ-AZUAARDMSA-N 1 1 387.867 3.742 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000245993210 857211685 /nfs/dbraw/zinc/21/16/85/857211685.db2.gz XGQXLWTUGNUNKZ-AZUAARDMSA-N 1 1 387.867 3.742 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174178930 857220381 /nfs/dbraw/zinc/22/03/81/857220381.db2.gz OYXXISOMZXTYMM-SFHVURJKSA-N 1 1 382.464 3.971 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000246218284 857301370 /nfs/dbraw/zinc/30/13/70/857301370.db2.gz UVCHGQUTIIIRQZ-JXFKEZNVSA-N 1 1 387.505 3.788 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000593076398 857338668 /nfs/dbraw/zinc/33/86/68/857338668.db2.gz BDCVZLGMOHMXEQ-GUYCJALGSA-N 1 1 386.452 3.565 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246330584 857348604 /nfs/dbraw/zinc/34/86/04/857348604.db2.gz IAPHVSGBOIYVTA-ROUUACIJSA-N 1 1 388.512 3.510 20 5 GHBDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000301790915 857766521 /nfs/dbraw/zinc/76/65/21/857766521.db2.gz NUUCRPCICFYMFX-FOIQADDNSA-N 1 1 383.496 3.739 20 5 GHBDMO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301794930 857767818 /nfs/dbraw/zinc/76/78/18/857767818.db2.gz SLSBGQUCBHISAV-PXNSSMCTSA-N 1 1 393.491 3.813 20 5 GHBDMO CCOc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000113898834 857775397 /nfs/dbraw/zinc/77/53/97/857775397.db2.gz LLUDHYMDYGIXIA-IRXDYDNUSA-N 1 1 389.496 3.720 20 5 GHBDMO Cc1ccc(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)c([N+](=O)[O-])c1 ZINC000301808953 857834887 /nfs/dbraw/zinc/83/48/87/857834887.db2.gz GIKUUFUUCIRAEC-UHFFFAOYSA-N 1 1 399.882 3.917 20 5 GHBDMO Cc1ccc(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)c([N+](=O)[O-])c1 ZINC000301808953 857834898 /nfs/dbraw/zinc/83/48/98/857834898.db2.gz GIKUUFUUCIRAEC-UHFFFAOYSA-N 1 1 399.882 3.917 20 5 GHBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312668966 857908222 /nfs/dbraw/zinc/90/82/22/857908222.db2.gz IREVGRJZKAKKLA-GOEBONIOSA-N 1 1 387.867 3.889 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000574564148 858084415 /nfs/dbraw/zinc/08/44/15/858084415.db2.gz WZKWYWXIINQEPE-KRWDZBQOSA-N 1 1 385.439 3.766 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000567940935 863009798 /nfs/dbraw/zinc/00/97/98/863009798.db2.gz HUWAZWRARGCZBG-HNAYVOBHSA-N 1 1 399.516 3.957 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000059402968 858361701 /nfs/dbraw/zinc/36/17/01/858361701.db2.gz MCSRQWQQVOHOJI-SFHVURJKSA-N 1 1 398.463 3.650 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000595003858 858363477 /nfs/dbraw/zinc/36/34/77/858363477.db2.gz LOMAVKDGBJKBLE-DYESRHJHSA-N 1 1 399.491 3.636 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000765973029 858428141 /nfs/dbraw/zinc/42/81/41/858428141.db2.gz VCLKMXBDNBQQAN-HOCLYGCPSA-N 1 1 390.461 3.876 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000765973029 858428147 /nfs/dbraw/zinc/42/81/47/858428147.db2.gz VCLKMXBDNBQQAN-HOCLYGCPSA-N 1 1 390.461 3.876 20 5 GHBDMO Cc1noc(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000595292141 858453326 /nfs/dbraw/zinc/45/33/26/858453326.db2.gz VUAIKQLQVBSDLZ-UHFFFAOYSA-N 1 1 398.385 3.618 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1cccc(OC)c1 ZINC000046761892 858492481 /nfs/dbraw/zinc/49/24/81/858492481.db2.gz KYYJEAVWXJQBJS-AWEZNQCLSA-N 1 1 387.436 3.634 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1cccc(OC)c1 ZINC000046761892 858492486 /nfs/dbraw/zinc/49/24/86/858492486.db2.gz KYYJEAVWXJQBJS-AWEZNQCLSA-N 1 1 387.436 3.634 20 5 GHBDMO CC(C)n1cc(C2=CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)nn1 ZINC000595516946 858549838 /nfs/dbraw/zinc/54/98/38/858549838.db2.gz QWTPLPLKQDQELP-UHFFFAOYSA-N 1 1 382.424 3.588 20 5 GHBDMO CC(C)n1cc(C2=CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)nn1 ZINC000595516946 858549840 /nfs/dbraw/zinc/54/98/40/858549840.db2.gz QWTPLPLKQDQELP-UHFFFAOYSA-N 1 1 382.424 3.588 20 5 GHBDMO Cn1nccc1[C@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281437119 863037473 /nfs/dbraw/zinc/03/74/73/863037473.db2.gz PPNCUIISZIMLIQ-GOSISDBHSA-N 1 1 381.436 3.753 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000575124246 858572818 /nfs/dbraw/zinc/57/28/18/858572818.db2.gz YBZSLAHFXVKXNN-UWJYYQICSA-N 1 1 396.491 3.644 20 5 GHBDMO CCC[N@H+]1Cc2cccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000067453077 858574768 /nfs/dbraw/zinc/57/47/68/858574768.db2.gz BCYCSEAEZOGFGX-HXUWFJFHSA-N 1 1 380.448 3.538 20 5 GHBDMO COC1CC[NH+](C2(CN[C@H](C)c3cccc([N+](=O)[O-])c3C)CCCC2)CC1 ZINC000482648934 858721929 /nfs/dbraw/zinc/72/19/29/858721929.db2.gz GKILGVNTGUXNLL-QGZVFWFLSA-N 1 1 375.513 3.977 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080075640 858784770 /nfs/dbraw/zinc/78/47/70/858784770.db2.gz SOGJHZYOYZKXNQ-INIZCTEOSA-N 1 1 376.501 3.641 20 5 GHBDMO Cc1cc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c2cccc([N+](=O)[O-])c2n1 ZINC000596513637 858919111 /nfs/dbraw/zinc/91/91/11/858919111.db2.gz AQSZZKKMWUDFPT-RTBURBONSA-N 1 1 382.464 3.507 20 5 GHBDMO Cc1nc2ccccc2n1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000482891412 858947461 /nfs/dbraw/zinc/94/74/61/858947461.db2.gz TULSPGRNZOACCN-UHFFFAOYSA-N 1 1 390.447 3.966 20 5 GHBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482912581 858971043 /nfs/dbraw/zinc/97/10/43/858971043.db2.gz SBDOBCQNSPTXAJ-HNNXBMFYSA-N 1 1 379.888 3.562 20 5 GHBDMO COc1cc(C[N@H+](C)CCc2ccccc2O)c([N+](=O)[O-])cc1OC(F)F ZINC000543249676 859040200 /nfs/dbraw/zinc/04/02/00/859040200.db2.gz SNTRGIVPPIOHHL-UHFFFAOYSA-N 1 1 382.363 3.585 20 5 GHBDMO COc1cc(C[N@@H+](C)CCc2ccccc2O)c([N+](=O)[O-])cc1OC(F)F ZINC000543249676 859040206 /nfs/dbraw/zinc/04/02/06/859040206.db2.gz SNTRGIVPPIOHHL-UHFFFAOYSA-N 1 1 382.363 3.585 20 5 GHBDMO CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](CC)C1 ZINC000596888735 859127641 /nfs/dbraw/zinc/12/76/41/859127641.db2.gz QVFFZCPDPNBGBX-ZDUSSCGKSA-N 1 1 399.289 3.614 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483123178 859163743 /nfs/dbraw/zinc/16/37/43/859163743.db2.gz YGRWXKSDTYTWGS-UKRRQHHQSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483123178 859163749 /nfs/dbraw/zinc/16/37/49/859163749.db2.gz YGRWXKSDTYTWGS-UKRRQHHQSA-N 1 1 387.411 3.559 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494266013 881390105 /nfs/dbraw/zinc/39/01/05/881390105.db2.gz UIYDEQYGXGYZAS-MAUKXSAKSA-N 1 1 395.793 3.588 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000543293681 859177182 /nfs/dbraw/zinc/17/71/82/859177182.db2.gz UWVMLDSJYXOEAR-JSGCOSHPSA-N 1 1 385.917 3.672 20 5 GHBDMO CCc1nn(C)c(NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301942936 859187786 /nfs/dbraw/zinc/18/77/86/859187786.db2.gz XSUIIINLOCCQSV-LRDDRELGSA-N 1 1 395.866 3.788 20 5 GHBDMO CCc1nn(C)c(NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301942936 859187788 /nfs/dbraw/zinc/18/77/88/859187788.db2.gz XSUIIINLOCCQSV-LRDDRELGSA-N 1 1 395.866 3.788 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000522378213 859250808 /nfs/dbraw/zinc/25/08/08/859250808.db2.gz TXPSUDHTAWRJIV-INIZCTEOSA-N 1 1 383.448 3.801 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170355638 881404525 /nfs/dbraw/zinc/40/45/25/881404525.db2.gz NIXLXROAYCGLEF-FMKPAKJESA-N 1 1 393.484 3.522 20 5 GHBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483410230 859345380 /nfs/dbraw/zinc/34/53/80/859345380.db2.gz CDISIGANESVAFO-AWEZNQCLSA-N 1 1 397.397 3.728 20 5 GHBDMO COc1ccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597210519 859347443 /nfs/dbraw/zinc/34/74/43/859347443.db2.gz IBGGPMOJHHTGRQ-XMSQKQJNSA-N 1 1 398.459 3.651 20 5 GHBDMO CC[N@H+](CCCO)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000764280104 859348086 /nfs/dbraw/zinc/34/80/86/859348086.db2.gz PMTIDYJRTSXNEL-GOSISDBHSA-N 1 1 391.855 3.632 20 5 GHBDMO CC[N@@H+](CCCO)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000764280104 859348089 /nfs/dbraw/zinc/34/80/89/859348089.db2.gz PMTIDYJRTSXNEL-GOSISDBHSA-N 1 1 391.855 3.632 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601587853 859374843 /nfs/dbraw/zinc/37/48/43/859374843.db2.gz RZZCJIPCPPIUBD-QGZVFWFLSA-N 1 1 385.439 3.766 20 5 GHBDMO Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301989044 859603379 /nfs/dbraw/zinc/60/33/79/859603379.db2.gz FCGDORZZDLOETC-UHFFFAOYSA-N 1 1 383.477 3.620 20 5 GHBDMO Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301989044 859603384 /nfs/dbraw/zinc/60/33/84/859603384.db2.gz FCGDORZZDLOETC-UHFFFAOYSA-N 1 1 383.477 3.620 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000117798623 859623106 /nfs/dbraw/zinc/62/31/06/859623106.db2.gz NTXFFOWNSOMPOA-UHFFFAOYSA-N 1 1 389.883 3.947 20 5 GHBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000611236039 859658000 /nfs/dbraw/zinc/65/80/00/859658000.db2.gz NNRUAXMGLRUZIS-CVEARBPZSA-N 1 1 380.448 3.831 20 5 GHBDMO COCCCC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611265540 859672710 /nfs/dbraw/zinc/67/27/10/859672710.db2.gz LPTLOAIPPIIADT-UHFFFAOYSA-N 1 1 386.448 3.795 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCCO)C3CC3)o2)c(Br)c1 ZINC000611271615 859675727 /nfs/dbraw/zinc/67/57/27/859675727.db2.gz SGVWILCWCVURAR-UHFFFAOYSA-N 1 1 395.253 3.964 20 5 GHBDMO COC(=O)CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(C)C ZINC000611271733 859675770 /nfs/dbraw/zinc/67/57/70/859675770.db2.gz JMVGIXWLPYMLIB-UHFFFAOYSA-N 1 1 376.409 3.637 20 5 GHBDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000301986683 859706662 /nfs/dbraw/zinc/70/66/62/859706662.db2.gz KKAMXCGBPLRGKH-CQSZACIVSA-N 1 1 398.438 3.502 20 5 GHBDMO Cc1c(Br)c(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000543449097 859753803 /nfs/dbraw/zinc/75/38/03/859753803.db2.gz BALRHLVUNCNNPT-MBNYWOFBSA-N 1 1 397.317 3.902 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000597710534 859757574 /nfs/dbraw/zinc/75/75/74/859757574.db2.gz OWCYKTLGOOCPOO-LJQANCHMSA-N 1 1 377.510 3.655 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000611477426 859775260 /nfs/dbraw/zinc/77/52/60/859775260.db2.gz IOFFCBPVKKCERH-LSDHHAIUSA-N 1 1 377.510 3.844 20 5 GHBDMO C[C@@H](OC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000132586005 859825255 /nfs/dbraw/zinc/82/52/55/859825255.db2.gz STQYWMHRXZXQQA-VLIAUNLRSA-N 1 1 390.867 3.745 20 5 GHBDMO C[C@@H](OC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000132586005 859825261 /nfs/dbraw/zinc/82/52/61/859825261.db2.gz STQYWMHRXZXQQA-VLIAUNLRSA-N 1 1 390.867 3.745 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000765455052 859976824 /nfs/dbraw/zinc/97/68/24/859976824.db2.gz ABFBJHRMTVVQNV-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO COc1cccc(OC)c1OC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092103602 859991116 /nfs/dbraw/zinc/99/11/16/859991116.db2.gz IJWACVWSPHHYFQ-UHFFFAOYSA-N 1 1 386.448 3.964 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)nc1 ZINC000128905541 860101702 /nfs/dbraw/zinc/10/17/02/860101702.db2.gz QLEUFYTZYOQKPJ-MRXNPFEDSA-N 1 1 398.854 3.720 20 5 GHBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000499903373 860140267 /nfs/dbraw/zinc/14/02/67/860140267.db2.gz JGUWVNOVSSMXET-MOPGFXCFSA-N 1 1 392.887 3.669 20 5 GHBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000598397993 860280449 /nfs/dbraw/zinc/28/04/49/860280449.db2.gz YMMQTRWNPGVSGC-IBGZPJMESA-N 1 1 379.460 3.627 20 5 GHBDMO COCC[N@H+]1CCC[C@@H]1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000727827000 860281758 /nfs/dbraw/zinc/28/17/58/860281758.db2.gz PLFOUQOWHRVQNV-SNVBAGLBSA-N 1 1 381.782 3.790 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598398350 860282600 /nfs/dbraw/zinc/28/26/00/860282600.db2.gz ZYFQAWBNEJJPKU-HXUWFJFHSA-N 1 1 393.487 3.556 20 5 GHBDMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3cn(C)nc3[N+](=O)[O-])s2)cc1 ZINC000602812011 860294771 /nfs/dbraw/zinc/29/47/71/860294771.db2.gz RMHGGDBUIZBQRE-LLVKDONJSA-N 1 1 387.465 3.620 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000124426902 860366109 /nfs/dbraw/zinc/36/61/09/860366109.db2.gz NMBAVTJBLIZLPN-SFHVURJKSA-N 1 1 388.512 3.637 20 5 GHBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000155029146 860366954 /nfs/dbraw/zinc/36/69/54/860366954.db2.gz RUXISDLTYJTLRS-CQSZACIVSA-N 1 1 389.839 3.738 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000555307807 860408323 /nfs/dbraw/zinc/40/83/23/860408323.db2.gz WMYPUTZHQYCHFN-OAHLLOKOSA-N 1 1 385.489 3.886 20 5 GHBDMO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053233160 860442453 /nfs/dbraw/zinc/44/24/53/860442453.db2.gz NDHPCIFWGOYOAV-NSHDSACASA-N 1 1 391.811 3.608 20 5 GHBDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053233160 860442459 /nfs/dbraw/zinc/44/24/59/860442459.db2.gz NDHPCIFWGOYOAV-NSHDSACASA-N 1 1 391.811 3.608 20 5 GHBDMO COc1cc(F)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000593577569 860455381 /nfs/dbraw/zinc/45/53/81/860455381.db2.gz LKGONCWNUCJMMD-UHFFFAOYSA-N 1 1 390.411 3.795 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598649903 860481547 /nfs/dbraw/zinc/48/15/47/860481547.db2.gz NMWXPROJFPXFMZ-KRWDZBQOSA-N 1 1 385.411 3.736 20 5 GHBDMO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000598678108 860497123 /nfs/dbraw/zinc/49/71/23/860497123.db2.gz LUZGBLXIBMPOHF-UHFFFAOYSA-N 1 1 395.463 3.648 20 5 GHBDMO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000598678108 860497128 /nfs/dbraw/zinc/49/71/28/860497128.db2.gz LUZGBLXIBMPOHF-UHFFFAOYSA-N 1 1 395.463 3.648 20 5 GHBDMO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000172122118 860580109 /nfs/dbraw/zinc/58/01/09/860580109.db2.gz HHRFLCSMSFSMAA-LBPRGKRZSA-N 1 1 398.868 3.563 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000391473282 860606597 /nfs/dbraw/zinc/60/65/97/860606597.db2.gz KAFNPOCNXVABIL-SNVBAGLBSA-N 1 1 379.210 3.937 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000429022811 860722906 /nfs/dbraw/zinc/72/29/06/860722906.db2.gz TZGMKQWRAVVOMQ-HRAATJIYSA-N 1 1 391.512 3.556 20 5 GHBDMO COC(=O)c1cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc(C)c1[N+](=O)[O-] ZINC000474781347 860769309 /nfs/dbraw/zinc/76/93/09/860769309.db2.gz SKYFAVLKDABTNT-SFHVURJKSA-N 1 1 397.475 3.666 20 5 GHBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000593673451 860784772 /nfs/dbraw/zinc/78/47/72/860784772.db2.gz YFVVISNYTYNTLV-JKSUJKDBSA-N 1 1 392.839 3.622 20 5 GHBDMO Cc1ccc(N(C)[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001168414846 860860137 /nfs/dbraw/zinc/86/01/37/860860137.db2.gz UPSXSYCRRDRWFJ-OAQYLSRUSA-N 1 1 396.491 3.833 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C3CC3)n2)o1 ZINC000599164489 860866081 /nfs/dbraw/zinc/86/60/81/860866081.db2.gz JWCNNGIPEVLYEV-JKSUJKDBSA-N 1 1 380.404 3.863 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000899512383 860957743 /nfs/dbraw/zinc/95/77/43/860957743.db2.gz YJJQNQFPLQJELI-UHFFFAOYSA-N 1 1 396.369 3.973 20 5 GHBDMO COc1ccccc1C[N@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000509108001 861071520 /nfs/dbraw/zinc/07/15/20/861071520.db2.gz GWHGDKQYYIFEQS-UHFFFAOYSA-N 1 1 382.416 3.858 20 5 GHBDMO COc1ccccc1C[N@@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000509108001 861071537 /nfs/dbraw/zinc/07/15/37/861071537.db2.gz GWHGDKQYYIFEQS-UHFFFAOYSA-N 1 1 382.416 3.858 20 5 GHBDMO COc1ccccc1C[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000509108917 861091609 /nfs/dbraw/zinc/09/16/09/861091609.db2.gz KEOATQHABMHSRE-UHFFFAOYSA-N 1 1 382.416 3.858 20 5 GHBDMO COc1ccccc1C[N@@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000509108917 861091623 /nfs/dbraw/zinc/09/16/23/861091623.db2.gz KEOATQHABMHSRE-UHFFFAOYSA-N 1 1 382.416 3.858 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c2ccncc21 ZINC000302049813 861183359 /nfs/dbraw/zinc/18/33/59/861183359.db2.gz NGGDPFMGSGPSNK-GOSISDBHSA-N 1 1 392.459 3.712 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+](CCc3cccc(F)c3)C3CC3)n2)c1 ZINC000733789601 863166029 /nfs/dbraw/zinc/16/60/29/863166029.db2.gz XTOPLCDNFQHOHH-UHFFFAOYSA-N 1 1 381.411 3.657 20 5 GHBDMO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172174054 863292430 /nfs/dbraw/zinc/29/24/30/863292430.db2.gz QEUBUHDSGLIGKN-UHFFFAOYSA-N 1 1 387.867 3.777 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2sccn2c1[N+](=O)[O-] ZINC000439710166 863545153 /nfs/dbraw/zinc/54/51/53/863545153.db2.gz SQQXAADSGGSUBB-INIZCTEOSA-N 1 1 385.493 3.652 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001126576955 863592079 /nfs/dbraw/zinc/59/20/79/863592079.db2.gz UXHQWLFOWKAPPF-SFHVURJKSA-N 1 1 389.402 3.782 20 5 GHBDMO COc1cccc(C2CC[NH+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC2)c1 ZINC000172899460 864095286 /nfs/dbraw/zinc/09/52/86/864095286.db2.gz GOUOFRUAAHMZFX-UHFFFAOYSA-N 1 1 393.447 3.699 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000734835133 864469710 /nfs/dbraw/zinc/46/97/10/864469710.db2.gz NSMZFMKNFRSMAS-UHFFFAOYSA-N 1 1 389.883 3.965 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+](CCc3ccc(F)cc3)C3CC3)n2)cc1 ZINC000735073452 864606854 /nfs/dbraw/zinc/60/68/54/864606854.db2.gz MLFHTBUZUHUYBS-UHFFFAOYSA-N 1 1 381.411 3.657 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+](CCc3ccc(F)cc3)C3CC3)n2)c1 ZINC000735074173 864606952 /nfs/dbraw/zinc/60/69/52/864606952.db2.gz ZZPAYQUUQRTLQP-UHFFFAOYSA-N 1 1 381.411 3.657 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@H](CSc4ccccc4)C3)n2)cc1 ZINC000173402453 864714787 /nfs/dbraw/zinc/71/47/87/864714787.db2.gz MPFBIONQZITISM-INIZCTEOSA-N 1 1 395.488 3.925 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+](C)Cc2ccccc2SC)cc1[N+](=O)[O-] ZINC000475288136 864718965 /nfs/dbraw/zinc/71/89/65/864718965.db2.gz RFGUYKILTLBVET-UHFFFAOYSA-N 1 1 390.461 3.501 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccccc2SC)cc1[N+](=O)[O-] ZINC000475288136 864718971 /nfs/dbraw/zinc/71/89/71/864718971.db2.gz RFGUYKILTLBVET-UHFFFAOYSA-N 1 1 390.461 3.501 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000063490078 864860921 /nfs/dbraw/zinc/86/09/21/864860921.db2.gz QPRDHAYNPDLYJB-MRXNPFEDSA-N 1 1 382.464 3.799 20 5 GHBDMO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173353479 881818219 /nfs/dbraw/zinc/81/82/19/881818219.db2.gz UCUUHGFOTHLYOP-AWEZNQCLSA-N 1 1 391.493 3.522 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000063559265 864949501 /nfs/dbraw/zinc/94/95/01/864949501.db2.gz GJNYHEOHMDHEDQ-FQEVSTJZSA-N 1 1 397.475 3.913 20 5 GHBDMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554846831 865010975 /nfs/dbraw/zinc/01/09/75/865010975.db2.gz JVMNJCAPANWDPN-LSDHHAIUSA-N 1 1 389.883 3.988 20 5 GHBDMO COc1cc(CNCC[N@H+]2CC=CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000475488003 866022862 /nfs/dbraw/zinc/02/28/62/866022862.db2.gz TUVXGNCCPFZAPW-UHFFFAOYSA-N 1 1 397.475 3.534 20 5 GHBDMO COc1cc(CNCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000475488003 866022878 /nfs/dbraw/zinc/02/28/78/866022878.db2.gz TUVXGNCCPFZAPW-UHFFFAOYSA-N 1 1 397.475 3.534 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000475530257 866204681 /nfs/dbraw/zinc/20/46/81/866204681.db2.gz MKJGZEAPTAJGSA-KRWDZBQOSA-N 1 1 394.475 3.970 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000475530257 866204692 /nfs/dbraw/zinc/20/46/92/866204692.db2.gz MKJGZEAPTAJGSA-KRWDZBQOSA-N 1 1 394.475 3.970 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000475553721 866263262 /nfs/dbraw/zinc/26/32/62/866263262.db2.gz POGVLXUZFDDRGA-KRWDZBQOSA-N 1 1 388.395 3.623 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000475553721 866263278 /nfs/dbraw/zinc/26/32/78/866263278.db2.gz POGVLXUZFDDRGA-KRWDZBQOSA-N 1 1 388.395 3.623 20 5 GHBDMO C[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000456330412 866435329 /nfs/dbraw/zinc/43/53/29/866435329.db2.gz JKCPRFQASKJQOE-MRXNPFEDSA-N 1 1 392.459 3.670 20 5 GHBDMO C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+](Cc2ccccc2)C1 ZINC000456338875 866451967 /nfs/dbraw/zinc/45/19/67/866451967.db2.gz OJRBKMPNGBKPCM-INIZCTEOSA-N 1 1 392.459 3.670 20 5 GHBDMO CC(C)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(F)cc1 ZINC000741790208 866793209 /nfs/dbraw/zinc/79/32/09/866793209.db2.gz BMEFWSPMDHDZKZ-HXUWFJFHSA-N 1 1 376.428 3.804 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742149727 867103338 /nfs/dbraw/zinc/10/33/38/867103338.db2.gz PHHZQCPLQPZPPR-FUHWJXTLSA-N 1 1 377.448 3.997 20 5 GHBDMO COc1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])cc1F ZINC000553333965 867199603 /nfs/dbraw/zinc/19/96/03/867199603.db2.gz POGFPILWDJUUEY-NRFANRHFSA-N 1 1 385.439 3.845 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000523506555 867419146 /nfs/dbraw/zinc/41/91/46/867419146.db2.gz ZBMOCPVBGKIZEG-UHFFFAOYSA-N 1 1 396.422 3.822 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000444925439 867472525 /nfs/dbraw/zinc/47/25/25/867472525.db2.gz VIJSVLADIIJBSI-HNNXBMFYSA-N 1 1 386.452 3.636 20 5 GHBDMO C[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000553487333 867533884 /nfs/dbraw/zinc/53/38/84/867533884.db2.gz UKQXSLHDCQJYHM-AWEZNQCLSA-N 1 1 383.477 3.700 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2nnc3n2CCCCC3)s1 ZINC000237963728 882096403 /nfs/dbraw/zinc/09/64/03/882096403.db2.gz KYUXYIZRXNSFAI-UHFFFAOYSA-N 1 1 383.477 3.931 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000457090774 867645557 /nfs/dbraw/zinc/64/55/57/867645557.db2.gz VFSLQCNFTUJNBS-LJQANCHMSA-N 1 1 396.491 3.762 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000534944676 867806250 /nfs/dbraw/zinc/80/62/50/867806250.db2.gz MUVBKWBNHOZTNR-MJGOQNOKSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000534944676 867806257 /nfs/dbraw/zinc/80/62/57/867806257.db2.gz MUVBKWBNHOZTNR-MJGOQNOKSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H]1c1cccs1 ZINC000534981641 867869521 /nfs/dbraw/zinc/86/95/21/867869521.db2.gz KKKVICKVNFOSFE-DJJJIMSYSA-N 1 1 398.488 3.951 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000743459410 868203616 /nfs/dbraw/zinc/20/36/16/868203616.db2.gz BGVKWQXGXUOCEY-SFHVURJKSA-N 1 1 379.464 3.591 20 5 GHBDMO C[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000553865646 868372232 /nfs/dbraw/zinc/37/22/32/868372232.db2.gz WDGZLCYVSLEFSP-MRXNPFEDSA-N 1 1 394.475 3.603 20 5 GHBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000743989807 868517830 /nfs/dbraw/zinc/51/78/30/868517830.db2.gz XKWAGGAIHHSPEI-UHFFFAOYSA-N 1 1 399.878 3.911 20 5 GHBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000542631892 868827881 /nfs/dbraw/zinc/82/78/81/868827881.db2.gz JTIYHUURNLXUKD-UHFFFAOYSA-N 1 1 377.510 3.655 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000535582113 869011765 /nfs/dbraw/zinc/01/17/65/869011765.db2.gz FGCMVUAAFWUNPS-UHFFFAOYSA-N 1 1 375.428 3.699 20 5 GHBDMO COc1ccc([C@@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2CC2)cc1 ZINC000192599381 882316472 /nfs/dbraw/zinc/31/64/72/882316472.db2.gz LACSXUOTYNUMAI-IBGZPJMESA-N 1 1 380.404 3.894 20 5 GHBDMO CCc1cc(N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000524841870 869664482 /nfs/dbraw/zinc/66/44/82/869664482.db2.gz OMJBLKZFJRTTOZ-KXBFYZLASA-N 1 1 383.496 3.923 20 5 GHBDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000524885151 869730875 /nfs/dbraw/zinc/73/08/75/869730875.db2.gz KZKNAKLLAKEOJK-MSOLQXFVSA-N 1 1 396.491 3.962 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000540016268 870205073 /nfs/dbraw/zinc/20/50/73/870205073.db2.gz AXTKEUZMCWTQLH-GJZGRUSLSA-N 1 1 399.447 3.560 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000540016268 870205087 /nfs/dbraw/zinc/20/50/87/870205087.db2.gz AXTKEUZMCWTQLH-GJZGRUSLSA-N 1 1 399.447 3.560 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1C(C)C ZINC000775536558 870539854 /nfs/dbraw/zinc/53/98/54/870539854.db2.gz IUDGZMOCEZPKHU-UHFFFAOYSA-N 1 1 376.482 3.845 20 5 GHBDMO CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000525408853 870642051 /nfs/dbraw/zinc/64/20/51/870642051.db2.gz PYDKBALMZVKGMQ-CGTJXYLNSA-N 1 1 386.452 3.670 20 5 GHBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC000463006349 870649448 /nfs/dbraw/zinc/64/94/48/870649448.db2.gz BKZNQUQCMUBPLR-KRWDZBQOSA-N 1 1 396.491 3.934 20 5 GHBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804274845 870716769 /nfs/dbraw/zinc/71/67/69/870716769.db2.gz RIJYOTBTLAQSNQ-YPNIWSFNSA-N 1 1 391.427 3.848 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NS(=O)(=O)C[C@@H]1CCCO1 ZINC001193273545 870996791 /nfs/dbraw/zinc/99/67/91/870996791.db2.gz DVUIBVIDAYWZLG-SFHVURJKSA-N 1 1 399.516 3.683 20 5 GHBDMO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169050167 871132523 /nfs/dbraw/zinc/13/25/23/871132523.db2.gz YXNWSSRHUPDSLF-RDTXWAMCSA-N 1 1 375.469 3.837 20 5 GHBDMO CC(C)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169057972 871144132 /nfs/dbraw/zinc/14/41/32/871144132.db2.gz ZVFRSXRZDWXAKA-KZNAEPCWSA-N 1 1 383.533 3.789 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)COc1ccccc1Cl)C1CC1 ZINC000441232728 871227544 /nfs/dbraw/zinc/22/75/44/871227544.db2.gz LUBWAEJNHLLSMA-INIZCTEOSA-N 1 1 376.840 3.653 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)COc1ccccc1Cl)C1CC1 ZINC000441232728 871227559 /nfs/dbraw/zinc/22/75/59/871227559.db2.gz LUBWAEJNHLLSMA-INIZCTEOSA-N 1 1 376.840 3.653 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)COCc1ccccc1Cl)C1CC1 ZINC000441239450 871356796 /nfs/dbraw/zinc/35/67/96/871356796.db2.gz OXWOCSVOKBAQOD-SFHVURJKSA-N 1 1 390.867 3.790 20 5 GHBDMO C[N@@H+]1CC=C(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000540544455 871533133 /nfs/dbraw/zinc/53/31/33/871533133.db2.gz OYAYJYWGDGHLGQ-UHFFFAOYSA-N 1 1 383.473 3.738 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447402279 871539780 /nfs/dbraw/zinc/53/97/80/871539780.db2.gz HRHDZKSDGNRFBZ-INIZCTEOSA-N 1 1 392.459 3.862 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447402279 871539793 /nfs/dbraw/zinc/53/97/93/871539793.db2.gz HRHDZKSDGNRFBZ-INIZCTEOSA-N 1 1 392.459 3.862 20 5 GHBDMO CCOC(=O)c1ccnc(Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000539238049 871572390 /nfs/dbraw/zinc/57/23/90/871572390.db2.gz HOGYGDKGIFKGHE-UHFFFAOYSA-N 1 1 384.436 3.547 20 5 GHBDMO COc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000618566800 871725083 /nfs/dbraw/zinc/72/50/83/871725083.db2.gz FBPWGTOZIDTMNK-OWZKRDHZSA-N 1 1 381.476 3.889 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462169513 871730660 /nfs/dbraw/zinc/73/06/60/871730660.db2.gz GZEYXDNYMBOOIS-DNVCBOLYSA-N 1 1 399.516 3.957 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000462181616 871780176 /nfs/dbraw/zinc/78/01/76/871780176.db2.gz KWTPGSGNTIXSJB-KSSFIOAISA-N 1 1 379.416 3.591 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1OC ZINC000463453812 871784756 /nfs/dbraw/zinc/78/47/56/871784756.db2.gz LOTQQYNXLXQOST-WBVHZDCISA-N 1 1 388.468 3.672 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](n3cccn3)C2)cc1OC ZINC000463453812 871784769 /nfs/dbraw/zinc/78/47/69/871784769.db2.gz LOTQQYNXLXQOST-WBVHZDCISA-N 1 1 388.468 3.672 20 5 GHBDMO CC(C)c1ccc(C[NH+]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001194562275 871794283 /nfs/dbraw/zinc/79/42/83/871794283.db2.gz JFKOKKDPHBFYIV-JOCHJYFZSA-N 1 1 383.492 3.569 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000618668883 871817872 /nfs/dbraw/zinc/81/78/72/871817872.db2.gz DDXHWYUVQPKDSO-INIZCTEOSA-N 1 1 389.499 3.818 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000526063450 872064917 /nfs/dbraw/zinc/06/49/17/872064917.db2.gz LHRMECWXUIIBRH-PFFSESEHSA-N 1 1 394.519 3.576 20 5 GHBDMO C[N@@H+](CCN1CCCC1=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093320149 872075720 /nfs/dbraw/zinc/07/57/20/872075720.db2.gz TXIUIHSWNGHLFW-UHFFFAOYSA-N 1 1 377.828 3.562 20 5 GHBDMO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767066562 872226876 /nfs/dbraw/zinc/22/68/76/872226876.db2.gz WZRGOIZULCLREM-KPZWWZAWSA-N 1 1 391.265 3.838 20 5 GHBDMO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767066562 872226892 /nfs/dbraw/zinc/22/68/92/872226892.db2.gz WZRGOIZULCLREM-KPZWWZAWSA-N 1 1 391.265 3.838 20 5 GHBDMO CSc1ccc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000552262436 872320069 /nfs/dbraw/zinc/32/00/69/872320069.db2.gz WRYRYBLGUAISOO-LJQANCHMSA-N 1 1 382.489 3.972 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552276088 872372601 /nfs/dbraw/zinc/37/26/01/872372601.db2.gz KEEFITVGSMSAGO-MJGOQNOKSA-N 1 1 384.480 3.889 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093840387 872446896 /nfs/dbraw/zinc/44/68/96/872446896.db2.gz YLUSCONVSWWRSK-QGZVFWFLSA-N 1 1 386.448 3.651 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000552316831 872472006 /nfs/dbraw/zinc/47/20/06/872472006.db2.gz NYUUAINYWVSTHP-NRFANRHFSA-N 1 1 396.443 3.874 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000552316831 872472019 /nfs/dbraw/zinc/47/20/19/872472019.db2.gz NYUUAINYWVSTHP-NRFANRHFSA-N 1 1 396.443 3.874 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC001195808865 872678448 /nfs/dbraw/zinc/67/84/48/872678448.db2.gz DKUAVKCZSRGNRG-CABCVRRESA-N 1 1 383.448 3.592 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000070670752 872690901 /nfs/dbraw/zinc/69/09/01/872690901.db2.gz YWYJVPDWUYVCGW-MRXNPFEDSA-N 1 1 377.828 3.798 20 5 GHBDMO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CN1c1cccc(C(F)(F)F)c1 ZINC000478279554 872794438 /nfs/dbraw/zinc/79/44/38/872794438.db2.gz VNKXCXWUWZALEP-CYBMUJFWSA-N 1 1 397.328 3.648 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2C(C)(C)O)cc1OC ZINC000541059229 872818852 /nfs/dbraw/zinc/81/88/52/872818852.db2.gz IBOKXXIHHNOPJM-KUHUBIRLSA-N 1 1 380.485 3.764 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000541104322 872942263 /nfs/dbraw/zinc/94/22/63/872942263.db2.gz ONCPXVWALDDUSJ-AWEZNQCLSA-N 1 1 378.473 3.626 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](C(F)(F)F)C3(CCC3)C1)OCCO2 ZINC000619847248 873073411 /nfs/dbraw/zinc/07/34/11/873073411.db2.gz GYKMQBVQUSBRID-INIZCTEOSA-N 1 1 386.370 3.921 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](C(F)(F)F)C3(CCC3)C1)OCCO2 ZINC000619847248 873073429 /nfs/dbraw/zinc/07/34/29/873073429.db2.gz GYKMQBVQUSBRID-INIZCTEOSA-N 1 1 386.370 3.921 20 5 GHBDMO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1OC(F)F ZINC000921207468 882687164 /nfs/dbraw/zinc/68/71/64/882687164.db2.gz GXHIPADOMIJJAD-UHFFFAOYSA-N 1 1 393.390 3.527 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC001197264922 873682523 /nfs/dbraw/zinc/68/25/23/873682523.db2.gz QCLYHTACNKJJBF-IBGZPJMESA-N 1 1 394.475 3.716 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001197544396 873887577 /nfs/dbraw/zinc/88/75/77/873887577.db2.gz XIYVYPYLWQYVDG-INIZCTEOSA-N 1 1 399.495 3.958 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001197544396 873887587 /nfs/dbraw/zinc/88/75/87/873887587.db2.gz XIYVYPYLWQYVDG-INIZCTEOSA-N 1 1 399.495 3.958 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001197544396 873887600 /nfs/dbraw/zinc/88/76/00/873887600.db2.gz XIYVYPYLWQYVDG-INIZCTEOSA-N 1 1 399.495 3.958 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)C1 ZINC000122450150 873967337 /nfs/dbraw/zinc/96/73/37/873967337.db2.gz NHOKAJXXQDCMJQ-DYVFJYSZSA-N 1 1 388.493 3.521 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2CC2(O)CCCCC2)c1 ZINC001197693247 873985365 /nfs/dbraw/zinc/98/53/65/873985365.db2.gz ULGKKXGRLMUONP-GOSISDBHSA-N 1 1 390.480 3.821 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000769512932 874119634 /nfs/dbraw/zinc/11/96/34/874119634.db2.gz WGYBEECRRAOBCJ-SFHVURJKSA-N 1 1 391.418 3.759 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000464679924 874288002 /nfs/dbraw/zinc/28/80/02/874288002.db2.gz VXXJHZQXKUXBFL-SFHVURJKSA-N 1 1 388.439 3.966 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000464679924 874288008 /nfs/dbraw/zinc/28/80/08/874288008.db2.gz VXXJHZQXKUXBFL-SFHVURJKSA-N 1 1 388.439 3.966 20 5 GHBDMO Cc1cc(Br)ccc1C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000769854462 874305815 /nfs/dbraw/zinc/30/58/15/874305815.db2.gz KPVZTTBGVKMVTF-KRWDZBQOSA-N 1 1 379.254 3.831 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001198252819 874313523 /nfs/dbraw/zinc/31/35/23/874313523.db2.gz XQRYUJRVKGDVGM-NCWRXXFHSA-N 1 1 377.872 3.943 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001198252819 874313535 /nfs/dbraw/zinc/31/35/35/874313535.db2.gz XQRYUJRVKGDVGM-NCWRXXFHSA-N 1 1 377.872 3.943 20 5 GHBDMO COc1cc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000464695575 874332991 /nfs/dbraw/zinc/33/29/91/874332991.db2.gz XKXULAWCRXQEOD-IBGZPJMESA-N 1 1 376.428 3.762 20 5 GHBDMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001198385941 874383658 /nfs/dbraw/zinc/38/36/58/874383658.db2.gz DGGGHJOTGLAWND-KRWDZBQOSA-N 1 1 383.448 3.763 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464770591 874432362 /nfs/dbraw/zinc/43/23/62/874432362.db2.gz LKWXLCZTPDFCOV-INIZCTEOSA-N 1 1 385.489 3.956 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464770591 874432368 /nfs/dbraw/zinc/43/23/68/874432368.db2.gz LKWXLCZTPDFCOV-INIZCTEOSA-N 1 1 385.489 3.956 20 5 GHBDMO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c(OC)c1 ZINC001198696105 874560365 /nfs/dbraw/zinc/56/03/65/874560365.db2.gz RMTYFLJNEGCMCQ-LLVKDONJSA-N 1 1 393.827 3.555 20 5 GHBDMO C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000464884797 874687453 /nfs/dbraw/zinc/68/74/53/874687453.db2.gz JIDNSXQKBPZQPD-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@H]([NH2+]Cc1cc2c(cc1Br)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000449349983 874745666 /nfs/dbraw/zinc/74/56/66/874745666.db2.gz TVBFBOHBARSJQO-JTQLQIEISA-N 1 1 379.210 3.937 20 5 GHBDMO CO[C@@](C)(C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000449486102 874940086 /nfs/dbraw/zinc/94/00/86/874940086.db2.gz SPSNFTAAJPLAOG-CTNGQTDRSA-N 1 1 380.448 3.569 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000542206102 875144828 /nfs/dbraw/zinc/14/48/28/875144828.db2.gz ORZHDFPVBXTEPC-GOSISDBHSA-N 1 1 388.851 3.777 20 5 GHBDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542282330 875299942 /nfs/dbraw/zinc/29/99/42/875299942.db2.gz REFUMULLFCOGKO-WMLDXEAASA-N 1 1 378.856 3.551 20 5 GHBDMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000105464806 875300145 /nfs/dbraw/zinc/30/01/45/875300145.db2.gz ZTGJDUHVLMYGOM-MRXNPFEDSA-N 1 1 386.471 3.727 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271808780 875452556 /nfs/dbraw/zinc/45/25/56/875452556.db2.gz MXJLJXSZMQVQSM-IYJVBRSBSA-N 1 1 376.478 3.970 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000761659356 882975765 /nfs/dbraw/zinc/97/57/65/882975765.db2.gz WVGBELFEMOBWNB-MRXNPFEDSA-N 1 1 381.354 3.612 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000492256342 876541889 /nfs/dbraw/zinc/54/18/89/876541889.db2.gz GRMHFNBALRSHIR-INIZCTEOSA-N 1 1 383.217 3.628 20 5 GHBDMO Cc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000492336655 876647554 /nfs/dbraw/zinc/64/75/54/876647554.db2.gz WQQYNUQSWMWEOC-HNNXBMFYSA-N 1 1 383.217 3.628 20 5 GHBDMO CC[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@H+]1CCc2ccccc2C1 ZINC000858406997 883073955 /nfs/dbraw/zinc/07/39/55/883073955.db2.gz BASPWEDTCLRWNP-MRXNPFEDSA-N 1 1 387.867 3.815 20 5 GHBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492676574 877328258 /nfs/dbraw/zinc/32/82/58/877328258.db2.gz RLCZUMYDWYCKET-RDJZCZTQSA-N 1 1 377.485 3.510 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610061870 877344401 /nfs/dbraw/zinc/34/44/01/877344401.db2.gz NOWFAHUAWQUFRO-UHFFFAOYSA-N 1 1 378.432 3.683 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000064735418 877369316 /nfs/dbraw/zinc/36/93/16/877369316.db2.gz BFEFKDLIVZLKPS-HLLBOEOZSA-N 1 1 377.510 3.551 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610100155 877413894 /nfs/dbraw/zinc/41/38/94/877413894.db2.gz HGWAZMSKUXXNTI-HDICACEKSA-N 1 1 390.528 3.585 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC=C(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000551711411 877696010 /nfs/dbraw/zinc/69/60/10/877696010.db2.gz WHRSAOSHCZRMPJ-UHFFFAOYSA-N 1 1 381.432 3.721 20 5 GHBDMO CN(C[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000851743154 877890907 /nfs/dbraw/zinc/89/09/07/877890907.db2.gz QJMSSVGZROPXLU-CQSZACIVSA-N 1 1 381.448 3.813 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000851743154 877890920 /nfs/dbraw/zinc/89/09/20/877890920.db2.gz QJMSSVGZROPXLU-CQSZACIVSA-N 1 1 381.448 3.813 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000852189497 878127653 /nfs/dbraw/zinc/12/76/53/878127653.db2.gz JLSMJKBOTNCAGV-UHFFFAOYSA-N 1 1 395.419 3.834 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000615838838 878155897 /nfs/dbraw/zinc/15/58/97/878155897.db2.gz NDOPBQIZMVLDHJ-LGMDPLHJSA-N 1 1 381.480 3.734 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 ZINC000776591605 878299089 /nfs/dbraw/zinc/29/90/89/878299089.db2.gz KZUHRXFQAIBJDH-NHCUHLMSSA-N 1 1 398.484 3.926 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000795678742 912338006 /nfs/dbraw/zinc/33/80/06/912338006.db2.gz FZVSUSIOOUMDBL-KZNAEPCWSA-N 1 1 379.416 3.728 20 5 GHBDMO Cc1ccc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c(N2CCCC2)[nH+]1 ZINC000616119233 878580686 /nfs/dbraw/zinc/58/06/86/878580686.db2.gz OYHGRGHSQZEPIZ-UHFFFAOYSA-N 1 1 383.452 3.837 20 5 GHBDMO COc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093645882 912369050 /nfs/dbraw/zinc/36/90/50/912369050.db2.gz LZFLXZHYVKMAJN-HXUWFJFHSA-N 1 1 398.459 3.793 20 5 GHBDMO COc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093645882 912369072 /nfs/dbraw/zinc/36/90/72/912369072.db2.gz LZFLXZHYVKMAJN-HXUWFJFHSA-N 1 1 398.459 3.793 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000538143948 878890026 /nfs/dbraw/zinc/89/00/26/878890026.db2.gz JYCIHWLXRTXDBO-LBPRGKRZSA-N 1 1 379.363 3.794 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000538191799 879009180 /nfs/dbraw/zinc/00/91/80/879009180.db2.gz XGIHVXAYEXYAAA-UHFFFAOYSA-N 1 1 375.375 3.789 20 5 GHBDMO CC(C)[NH+]1CCN(C2CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000853462489 879037645 /nfs/dbraw/zinc/03/76/45/879037645.db2.gz WEFYOCBUSVUPHI-UHFFFAOYSA-N 1 1 382.455 3.527 20 5 GHBDMO O=C1OCCN1c1cccc2c1CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000093740539 912412014 /nfs/dbraw/zinc/41/20/14/912412014.db2.gz JYZYAZTZUXFOOY-QPJJXVBHSA-N 1 1 379.416 3.623 20 5 GHBDMO O=C1OCCN1c1cccc2c1CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000093740539 912412037 /nfs/dbraw/zinc/41/20/37/912412037.db2.gz JYZYAZTZUXFOOY-QPJJXVBHSA-N 1 1 379.416 3.623 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000795692836 912421986 /nfs/dbraw/zinc/42/19/86/912421986.db2.gz HCWRLIYPGMLJGR-NJDAHSKKSA-N 1 1 392.459 3.715 20 5 GHBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000493476488 879469899 /nfs/dbraw/zinc/46/98/99/879469899.db2.gz CUVQIDUHNVJYPZ-MGPUTAFESA-N 1 1 380.448 3.505 20 5 GHBDMO CCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000265966544 879610946 /nfs/dbraw/zinc/61/09/46/879610946.db2.gz VFVGCLOERKTCOT-JQHSSLGASA-N 1 1 386.452 3.670 20 5 GHBDMO CCc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461444431 879828135 /nfs/dbraw/zinc/82/81/35/879828135.db2.gz FRMHXUSRLVWKJQ-LEWJYISDSA-N 1 1 393.487 3.751 20 5 GHBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1COc2ccccc2O1 ZINC000170905798 879998451 /nfs/dbraw/zinc/99/84/51/879998451.db2.gz JSBMESSJVMXAHP-KRWDZBQOSA-N 1 1 395.415 3.564 20 5 GHBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000452968482 880283048 /nfs/dbraw/zinc/28/30/48/880283048.db2.gz CYUFLCNFXBTRIB-PBHICJAKSA-N 1 1 383.473 3.522 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)o1 ZINC000453257353 880691344 /nfs/dbraw/zinc/69/13/44/880691344.db2.gz MYCMZAFYUREITK-ZDUSSCGKSA-N 1 1 390.346 3.863 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000152987625 881287388 /nfs/dbraw/zinc/28/73/88/881287388.db2.gz WXWRJCRICPTKKR-KBPBESRZSA-N 1 1 377.510 3.698 20 5 GHBDMO CCOc1cccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350712 883161810 /nfs/dbraw/zinc/16/18/10/883161810.db2.gz OEZNOZBPGMENSZ-UHFFFAOYSA-N 1 1 385.464 3.520 20 5 GHBDMO CCOc1cccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350712 883161814 /nfs/dbraw/zinc/16/18/14/883161814.db2.gz OEZNOZBPGMENSZ-UHFFFAOYSA-N 1 1 385.464 3.520 20 5 GHBDMO CC(C)[N@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350068 883163552 /nfs/dbraw/zinc/16/35/52/883163552.db2.gz WJRUASHXIPIYAB-UHFFFAOYSA-N 1 1 381.476 3.653 20 5 GHBDMO CC(C)[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350068 883163563 /nfs/dbraw/zinc/16/35/63/883163563.db2.gz WJRUASHXIPIYAB-UHFFFAOYSA-N 1 1 381.476 3.653 20 5 GHBDMO Cc1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)cc1[N+](=O)[O-] ZINC000551090465 883271525 /nfs/dbraw/zinc/27/15/25/883271525.db2.gz DUHSSIXCEPBKTK-HXUWFJFHSA-N 1 1 396.491 3.682 20 5 GHBDMO COc1ccccc1O[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000795725134 912698934 /nfs/dbraw/zinc/69/89/34/912698934.db2.gz HALSBEPAWKWYAI-QGZVFWFLSA-N 1 1 396.447 3.762 20 5 GHBDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000795725134 912698945 /nfs/dbraw/zinc/69/89/45/912698945.db2.gz HALSBEPAWKWYAI-QGZVFWFLSA-N 1 1 396.447 3.762 20 5 GHBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804811706 883372874 /nfs/dbraw/zinc/37/28/74/883372874.db2.gz ALLQRFQWIWLVOT-JOCHJYFZSA-N 1 1 379.460 3.900 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@H](CO)c3cccc(F)c3)o2)c([N+](=O)[O-])c1 ZINC000609708607 883566246 /nfs/dbraw/zinc/56/62/46/883566246.db2.gz PDBNIVHBWONTQU-GOSISDBHSA-N 1 1 386.379 3.826 20 5 GHBDMO CN(c1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000542505982 883784905 /nfs/dbraw/zinc/78/49/05/883784905.db2.gz FOMDFSYAEPQPDB-QGZVFWFLSA-N 1 1 377.448 3.639 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000609909254 883791238 /nfs/dbraw/zinc/79/12/38/883791238.db2.gz ZBWPDDBYVRSLJS-HNNXBMFYSA-N 1 1 385.489 3.663 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000609909254 883791246 /nfs/dbraw/zinc/79/12/46/883791246.db2.gz ZBWPDDBYVRSLJS-HNNXBMFYSA-N 1 1 385.489 3.663 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615981 884136001 /nfs/dbraw/zinc/13/60/01/884136001.db2.gz GMSFRRFGPAYGMM-KQIUPUNMSA-N 1 1 378.354 3.906 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000537471953 884301788 /nfs/dbraw/zinc/30/17/88/884301788.db2.gz QONAUVKNOFUUQF-UHFFFAOYSA-N 1 1 377.510 3.797 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000860299779 884542401 /nfs/dbraw/zinc/54/24/01/884542401.db2.gz JWAXNFDQGMJUNJ-IIBYNOLFSA-N 1 1 379.460 3.837 20 5 GHBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](C)Cc1ccsc1 ZINC000495227786 884838690 /nfs/dbraw/zinc/83/86/90/884838690.db2.gz IFUWJTZMRQTXBP-AWEZNQCLSA-N 1 1 389.477 3.907 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)cn1 ZINC000761917584 884974034 /nfs/dbraw/zinc/97/40/34/884974034.db2.gz ZEBRDXUFUTYJTH-UHFFFAOYSA-N 1 1 387.359 3.682 20 5 GHBDMO CC(C)(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)[N+](=O)[O-] ZINC000860866322 885062683 /nfs/dbraw/zinc/06/26/83/885062683.db2.gz DTTJYMXUFRUJER-IAGOWNOFSA-N 1 1 388.489 3.562 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCCC2 ZINC000532580697 886173470 /nfs/dbraw/zinc/17/34/70/886173470.db2.gz SMMYKTBLVRNKRM-QZTJIDSGSA-N 1 1 389.496 3.901 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCCC2 ZINC000532580697 886173478 /nfs/dbraw/zinc/17/34/78/886173478.db2.gz SMMYKTBLVRNKRM-QZTJIDSGSA-N 1 1 389.496 3.901 20 5 GHBDMO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCCC2 ZINC000532580705 886173927 /nfs/dbraw/zinc/17/39/27/886173927.db2.gz SMMYKTBLVRNKRM-ROUUACIJSA-N 1 1 389.496 3.901 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCCC2 ZINC000532580705 886173937 /nfs/dbraw/zinc/17/39/37/886173937.db2.gz SMMYKTBLVRNKRM-ROUUACIJSA-N 1 1 389.496 3.901 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000454141099 886185026 /nfs/dbraw/zinc/18/50/26/886185026.db2.gz GOJIWZJARSUZLB-INIZCTEOSA-N 1 1 382.464 3.889 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862192028 886202640 /nfs/dbraw/zinc/20/26/40/886202640.db2.gz RHQNXAQSPLCLNU-MRXNPFEDSA-N 1 1 387.867 3.637 20 5 GHBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000026256742 886241627 /nfs/dbraw/zinc/24/16/27/886241627.db2.gz JEZQCTMSLHHEND-UHFFFAOYSA-N 1 1 375.400 3.512 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032399874 886275299 /nfs/dbraw/zinc/27/52/99/886275299.db2.gz LVTGVLOOQASFQB-MRXNPFEDSA-N 1 1 399.516 3.640 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556859854 886393249 /nfs/dbraw/zinc/39/32/49/886393249.db2.gz YYRKMMPTLLPAMT-XLIONFOSSA-N 1 1 385.512 3.662 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556859856 886393537 /nfs/dbraw/zinc/39/35/37/886393537.db2.gz YYRKMMPTLLPAMT-YLJYHZDGSA-N 1 1 385.512 3.662 20 5 GHBDMO Cc1c(CC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000125248216 886843442 /nfs/dbraw/zinc/84/34/42/886843442.db2.gz SRGSPRHVELSYOB-JXFKEZNVSA-N 1 1 387.505 3.707 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000795960194 913092724 /nfs/dbraw/zinc/09/27/24/913092724.db2.gz ITWACVQIDCETEI-GOSISDBHSA-N 1 1 385.411 3.656 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000762975426 887477096 /nfs/dbraw/zinc/47/70/96/887477096.db2.gz WCLMLYSZBHOORN-MFMILTCTSA-N 1 1 379.460 3.841 20 5 GHBDMO COCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000272426917 887485417 /nfs/dbraw/zinc/48/54/17/887485417.db2.gz IWJYZLASLATTLE-XHDPSFHLSA-N 1 1 381.816 3.536 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC001131841936 887712359 /nfs/dbraw/zinc/71/23/59/887712359.db2.gz CRHGYVHGDFRRQV-INIZCTEOSA-N 1 1 392.459 3.524 20 5 GHBDMO C[NH+](C)[C@H](CNc1cc([N+](=O)[O-])c2nncn2c1)c1ccc(Cl)cc1Cl ZINC001170590460 888018867 /nfs/dbraw/zinc/01/88/67/888018867.db2.gz UMXBKDWYHSZNMP-OAHLLOKOSA-N 1 1 395.250 3.659 20 5 GHBDMO CC(C)(CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000025460893 888525821 /nfs/dbraw/zinc/52/58/21/888525821.db2.gz VSTHBOBOUDFBHP-UHFFFAOYSA-N 1 1 387.867 3.815 20 5 GHBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000810846168 888938671 /nfs/dbraw/zinc/93/86/71/888938671.db2.gz XLUHQZADNMYJJJ-HKUYNNGSSA-N 1 1 396.443 3.957 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027334444 888997026 /nfs/dbraw/zinc/99/70/26/888997026.db2.gz NUWZERFOBAVHQJ-RHSMWYFYSA-N 1 1 389.477 3.622 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccccc3)CC2)cc1C ZINC001184681586 913384963 /nfs/dbraw/zinc/38/49/63/913384963.db2.gz PHAPMZDGHPHTNI-UHFFFAOYSA-N 1 1 397.475 3.792 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000533240673 890052300 /nfs/dbraw/zinc/05/23/00/890052300.db2.gz HTDIQKUILXYWKW-UHFFFAOYSA-N 1 1 375.469 3.975 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000795106406 890274891 /nfs/dbraw/zinc/27/48/91/890274891.db2.gz JXHKTJBWGUJIAC-WMLDXEAASA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000795106406 890274908 /nfs/dbraw/zinc/27/49/08/890274908.db2.gz JXHKTJBWGUJIAC-WMLDXEAASA-N 1 1 379.432 3.565 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533374791 890374498 /nfs/dbraw/zinc/37/44/98/890374498.db2.gz XJBKTYLBQMAOQI-SCTDSRPQSA-N 1 1 388.512 3.569 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812289699 890509282 /nfs/dbraw/zinc/50/92/82/890509282.db2.gz ODUHWDUWZZJSPW-QGZVFWFLSA-N 1 1 387.867 3.696 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812289699 890509288 /nfs/dbraw/zinc/50/92/88/890509288.db2.gz ODUHWDUWZZJSPW-QGZVFWFLSA-N 1 1 387.867 3.696 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCC1(C)C ZINC000871155912 890667158 /nfs/dbraw/zinc/66/71/58/890667158.db2.gz HCUVDNSMGKAUJB-UHFFFAOYSA-N 1 1 399.441 3.516 20 5 GHBDMO CCc1cc(NC[C@@H](C)[N@H+]2CCCC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001184855680 913491385 /nfs/dbraw/zinc/49/13/85/913491385.db2.gz FJZXGFFIYBROTA-HZPDHXFCSA-N 1 1 383.496 3.711 20 5 GHBDMO CCOC(=O)CCC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000747816904 890960783 /nfs/dbraw/zinc/96/07/83/890960783.db2.gz LIADFXZRCPLRJB-UHFFFAOYSA-N 1 1 393.465 3.885 20 5 GHBDMO C[N@@H+](CCc1cccc(Br)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000812906737 891090801 /nfs/dbraw/zinc/09/08/01/891090801.db2.gz CRDKPXAZICQYJT-KRWDZBQOSA-N 1 1 379.254 3.565 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(C)nc(N2CCCC2)n1 ZINC000872073287 891139972 /nfs/dbraw/zinc/13/99/72/891139972.db2.gz OHULMTAVIUBYCZ-CQSZACIVSA-N 1 1 387.509 3.866 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872094115 891152595 /nfs/dbraw/zinc/15/25/95/891152595.db2.gz YZOJUEDVTKRYPM-CYBMUJFWSA-N 1 1 376.457 3.533 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000872279315 891225943 /nfs/dbraw/zinc/22/59/43/891225943.db2.gz HPTFDGXTKQFCSO-WBVHZDCISA-N 1 1 375.469 3.654 20 5 GHBDMO CC(C)OCc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813170647 891328590 /nfs/dbraw/zinc/32/85/90/891328590.db2.gz SNNQFRWEDPHDBG-NRFANRHFSA-N 1 1 398.459 3.951 20 5 GHBDMO CC(C)OCc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813170647 891328605 /nfs/dbraw/zinc/32/86/05/891328605.db2.gz SNNQFRWEDPHDBG-NRFANRHFSA-N 1 1 398.459 3.951 20 5 GHBDMO O=C(/C=C\SCc1ccco1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171631 891332158 /nfs/dbraw/zinc/33/21/58/891332158.db2.gz NXPNXSHMHDNJBM-JEZWAEDTSA-N 1 1 388.445 3.752 20 5 GHBDMO O=C(/C=C\SCc1ccco1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171631 891332176 /nfs/dbraw/zinc/33/21/76/891332176.db2.gz NXPNXSHMHDNJBM-JEZWAEDTSA-N 1 1 388.445 3.752 20 5 GHBDMO O=C(C[C@@H]1CCOc2ccccc21)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173171 891337276 /nfs/dbraw/zinc/33/72/76/891337276.db2.gz YFGWPIFDXCBJEL-HKUYNNGSSA-N 1 1 396.443 3.669 20 5 GHBDMO O=C(C[C@@H]1CCOc2ccccc21)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173171 891337292 /nfs/dbraw/zinc/33/72/92/891337292.db2.gz YFGWPIFDXCBJEL-HKUYNNGSSA-N 1 1 396.443 3.669 20 5 GHBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(C(F)(F)F)cc1 ZINC000026336084 891377914 /nfs/dbraw/zinc/37/79/14/891377914.db2.gz FKUJPXFWTIHJIW-UHFFFAOYSA-N 1 1 393.365 3.635 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(C(F)(F)F)cc1 ZINC000026336084 891377928 /nfs/dbraw/zinc/37/79/28/891377928.db2.gz FKUJPXFWTIHJIW-UHFFFAOYSA-N 1 1 393.365 3.635 20 5 GHBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000774823224 913653474 /nfs/dbraw/zinc/65/34/74/913653474.db2.gz QZDYLURAJSNBFK-INIZCTEOSA-N 1 1 387.392 3.555 20 5 GHBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000774823224 913653477 /nfs/dbraw/zinc/65/34/77/913653477.db2.gz QZDYLURAJSNBFK-INIZCTEOSA-N 1 1 387.392 3.555 20 5 GHBDMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC001185188644 913712618 /nfs/dbraw/zinc/71/26/18/913712618.db2.gz RUJJPIPOVTTYDN-UHFFFAOYSA-N 1 1 398.850 3.824 20 5 GHBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)C1 ZINC000933341618 893009727 /nfs/dbraw/zinc/00/97/27/893009727.db2.gz KXSLLFMOUCKLTR-GFCCVEGCSA-N 1 1 388.390 3.728 20 5 GHBDMO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154644477 893141238 /nfs/dbraw/zinc/14/12/38/893141238.db2.gz VWBJSQZWKZTAPT-SFHVURJKSA-N 1 1 389.427 3.507 20 5 GHBDMO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154644477 893141244 /nfs/dbraw/zinc/14/12/44/893141244.db2.gz VWBJSQZWKZTAPT-SFHVURJKSA-N 1 1 389.427 3.507 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](c3ccccc3)C3(CO)CCCC3)nc2c1 ZINC000459549882 893780375 /nfs/dbraw/zinc/78/03/75/893780375.db2.gz WWVQTIRCAKEOIJ-HXUWFJFHSA-N 1 1 380.448 3.855 20 5 GHBDMO COc1cc(COC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000815448030 893850256 /nfs/dbraw/zinc/85/02/56/893850256.db2.gz DLTHQMJPOFXDTP-INIZCTEOSA-N 1 1 380.416 3.583 20 5 GHBDMO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+](C)Cc1ccccc1 ZINC000498307358 894025201 /nfs/dbraw/zinc/02/52/01/894025201.db2.gz AOGAJKIUBFELBZ-INIZCTEOSA-N 1 1 392.459 3.783 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459672859 894041557 /nfs/dbraw/zinc/04/15/57/894041557.db2.gz GXUGFXLKHXKSBT-UHFFFAOYSA-N 1 1 387.823 3.605 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459672859 894041579 /nfs/dbraw/zinc/04/15/79/894041579.db2.gz GXUGFXLKHXKSBT-UHFFFAOYSA-N 1 1 387.823 3.605 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)o1 ZINC000878643959 894480394 /nfs/dbraw/zinc/48/03/94/894480394.db2.gz QGLVPHJJYWFPNM-CYBMUJFWSA-N 1 1 392.843 3.547 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCOC[C@H](C3CCC3)C2)o1 ZINC000878643959 894480401 /nfs/dbraw/zinc/48/04/01/894480401.db2.gz QGLVPHJJYWFPNM-CYBMUJFWSA-N 1 1 392.843 3.547 20 5 GHBDMO CC(C)O[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878805075 894632318 /nfs/dbraw/zinc/63/23/18/894632318.db2.gz YSGAUPSSCUFZII-ZDUSSCGKSA-N 1 1 380.832 3.688 20 5 GHBDMO CC(C)O[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878805075 894632323 /nfs/dbraw/zinc/63/23/23/894632323.db2.gz YSGAUPSSCUFZII-ZDUSSCGKSA-N 1 1 380.832 3.688 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)c1 ZINC000878950709 894746266 /nfs/dbraw/zinc/74/62/66/894746266.db2.gz ZZNHQWRUUTWBDY-NRFANRHFSA-N 1 1 394.431 3.817 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537392389 894888645 /nfs/dbraw/zinc/88/86/45/894888645.db2.gz JCQGZNKALACERH-GJZGRUSLSA-N 1 1 381.839 3.757 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537392389 894888656 /nfs/dbraw/zinc/88/86/56/894888656.db2.gz JCQGZNKALACERH-GJZGRUSLSA-N 1 1 381.839 3.757 20 5 GHBDMO Cc1cc(CNc2ncc([N+](=O)[O-])cc2Br)cc(N2CCCC2)[nH+]1 ZINC000564568597 895089677 /nfs/dbraw/zinc/08/96/77/895089677.db2.gz QTIYLDAANNZJFT-UHFFFAOYSA-N 1 1 392.257 3.668 20 5 GHBDMO Cc1c(Br)c(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001185555655 913950974 /nfs/dbraw/zinc/95/09/74/913950974.db2.gz UYNZFTUBUIFZPJ-CYBMUJFWSA-N 1 1 383.290 3.737 20 5 GHBDMO C[C@H](NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000565468304 895656410 /nfs/dbraw/zinc/65/64/10/895656410.db2.gz KDDUAUFADJSLMZ-AWEZNQCLSA-N 1 1 375.856 3.600 20 5 GHBDMO C[C@H](NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000565468304 895656414 /nfs/dbraw/zinc/65/64/14/895656414.db2.gz KDDUAUFADJSLMZ-AWEZNQCLSA-N 1 1 375.856 3.600 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774908406 914004346 /nfs/dbraw/zinc/00/43/46/914004346.db2.gz HEBNJZQBKRWKAY-INIZCTEOSA-N 1 1 390.484 3.980 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000565959149 896010331 /nfs/dbraw/zinc/01/03/31/896010331.db2.gz JOSISAZFQFSZEO-UHFFFAOYSA-N 1 1 377.828 3.695 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000566041871 896068228 /nfs/dbraw/zinc/06/82/28/896068228.db2.gz DIFWIONSUPZYDX-HOTGVXAUSA-N 1 1 395.488 3.558 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000881352579 896305785 /nfs/dbraw/zinc/30/57/85/896305785.db2.gz JWKNVHULGZOVMB-SFHVURJKSA-N 1 1 383.839 3.665 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000041895999 896895047 /nfs/dbraw/zinc/89/50/47/896895047.db2.gz DLRQAXRHPZQKPF-UHFFFAOYSA-N 1 1 381.432 3.727 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2C2(O)CC2)cc1OC ZINC001170950349 897436688 /nfs/dbraw/zinc/43/66/88/897436688.db2.gz XUIOSXWZIDGISZ-YWZLYKJASA-N 1 1 392.496 3.908 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000331971664 899309652 /nfs/dbraw/zinc/30/96/52/899309652.db2.gz SJQQZBJLUCQDRP-AWEZNQCLSA-N 1 1 377.510 3.842 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000118980641 899512786 /nfs/dbraw/zinc/51/27/86/899512786.db2.gz IFCQQOPHZWNJDU-UHFFFAOYSA-N 1 1 395.463 3.645 20 5 GHBDMO CCNc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000824383046 899576032 /nfs/dbraw/zinc/57/60/32/899576032.db2.gz JHVLAKWZKHVHIU-FXAWDEMLSA-N 1 1 394.475 3.783 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000332447125 899676560 /nfs/dbraw/zinc/67/65/60/899676560.db2.gz DBSXONPPBYPCHE-HNNXBMFYSA-N 1 1 391.516 3.558 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000332447125 899676566 /nfs/dbraw/zinc/67/65/66/899676566.db2.gz DBSXONPPBYPCHE-HNNXBMFYSA-N 1 1 391.516 3.558 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000332447125 899676570 /nfs/dbraw/zinc/67/65/70/899676570.db2.gz DBSXONPPBYPCHE-HNNXBMFYSA-N 1 1 391.516 3.558 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000571231454 899789958 /nfs/dbraw/zinc/78/99/58/899789958.db2.gz LEAVUIQNEWNGTK-LJQANCHMSA-N 1 1 380.448 3.865 20 5 GHBDMO CSCC[C@@H](C)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571843309 899984608 /nfs/dbraw/zinc/98/46/08/899984608.db2.gz ZPDAFVIBKWIUCO-SNVBAGLBSA-N 1 1 394.278 3.773 20 5 GHBDMO Cn1cc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000571843076 899984910 /nfs/dbraw/zinc/98/49/10/899984910.db2.gz QPUCIYFBHUOZFS-HXUWFJFHSA-N 1 1 384.480 3.776 20 5 GHBDMO Cn1cc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000571843076 899984914 /nfs/dbraw/zinc/98/49/14/899984914.db2.gz QPUCIYFBHUOZFS-HXUWFJFHSA-N 1 1 384.480 3.776 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000843883380 900285740 /nfs/dbraw/zinc/28/57/40/900285740.db2.gz GJAYRBKNSFNLAB-QFIPXVFZSA-N 1 1 397.450 3.781 20 5 GHBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC001186325631 914436955 /nfs/dbraw/zinc/43/69/55/914436955.db2.gz PHWKZQYNNMBORN-CQSZACIVSA-N 1 1 380.370 3.943 20 5 GHBDMO C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](Cc2ccccc2)C1 ZINC000844656452 901115501 /nfs/dbraw/zinc/11/55/01/901115501.db2.gz IVXOAZYYMDWANU-HNNXBMFYSA-N 1 1 388.855 3.639 20 5 GHBDMO C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](Cc2ccccc2)C1 ZINC000844656452 901115507 /nfs/dbraw/zinc/11/55/07/901115507.db2.gz IVXOAZYYMDWANU-HNNXBMFYSA-N 1 1 388.855 3.639 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000047174677 901506276 /nfs/dbraw/zinc/50/62/76/901506276.db2.gz DWCWPUZFSCLUKO-LBPRGKRZSA-N 1 1 383.433 3.603 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000047188320 901541720 /nfs/dbraw/zinc/54/17/20/901541720.db2.gz DQYRXZRQZITCFU-HZPDHXFCSA-N 1 1 379.526 3.704 20 5 GHBDMO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc([N+](=O)[O-])c4c3CCN(C)C4)c2c1 ZINC001171169119 901935639 /nfs/dbraw/zinc/93/56/39/901935639.db2.gz YUPKPKIZHWVKMY-HNNXBMFYSA-N 1 1 378.476 3.725 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000576773857 902250741 /nfs/dbraw/zinc/25/07/41/902250741.db2.gz RHXNCFRBDTXFSY-FUHWJXTLSA-N 1 1 381.476 3.652 20 5 GHBDMO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000846112293 902690787 /nfs/dbraw/zinc/69/07/87/902690787.db2.gz UAHVEFHHFBYKMR-CALCHBBNSA-N 1 1 390.386 3.879 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000577814984 903227722 /nfs/dbraw/zinc/22/77/22/903227722.db2.gz KASXOZQCESHEIY-SNVBAGLBSA-N 1 1 382.333 3.786 20 5 GHBDMO O=C(C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)NCc1ccccc1 ZINC000779031948 903231824 /nfs/dbraw/zinc/23/18/24/903231824.db2.gz CKTGYDZZQRGTFB-JOCHJYFZSA-N 1 1 375.428 3.590 20 5 GHBDMO Cc1ccccc1C(=O)NC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601104013 903334543 /nfs/dbraw/zinc/33/45/43/903334543.db2.gz NLZRPOKISYPHPX-UHFFFAOYSA-N 1 1 390.443 3.850 20 5 GHBDMO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000847007846 903376678 /nfs/dbraw/zinc/37/66/78/903376678.db2.gz CZPNQRBUUSNVJM-UHFFFAOYSA-N 1 1 379.432 3.567 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)c([N+](=O)[O-])c1 ZINC000847031262 903409748 /nfs/dbraw/zinc/40/97/48/903409748.db2.gz DCEMIEYJALYKQC-UHFFFAOYSA-N 1 1 393.403 3.826 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1F ZINC000847046894 903433252 /nfs/dbraw/zinc/43/32/52/903433252.db2.gz GPYFEQRJJBSJDD-CQSZACIVSA-N 1 1 381.423 3.708 20 5 GHBDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000578912381 904219402 /nfs/dbraw/zinc/21/94/02/904219402.db2.gz SVZSCNAZBDKAMD-UHFFFAOYSA-N 1 1 382.432 3.686 20 5 GHBDMO C[N@@H+]1CCc2c(NCc3ccccc3OC3CCOCC3)ccc([N+](=O)[O-])c2C1 ZINC001171386447 904453847 /nfs/dbraw/zinc/45/38/47/904453847.db2.gz QISPXHXUZMHKNB-UHFFFAOYSA-N 1 1 397.475 3.753 20 5 GHBDMO C[N@H+]1CCc2c(NCc3ccccc3OC3CCOCC3)ccc([N+](=O)[O-])c2C1 ZINC001171386447 904453854 /nfs/dbraw/zinc/45/38/54/904453854.db2.gz QISPXHXUZMHKNB-UHFFFAOYSA-N 1 1 397.475 3.753 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1F ZINC001171707721 904939558 /nfs/dbraw/zinc/93/95/58/904939558.db2.gz UKXDKCTZHNASOF-LJQANCHMSA-N 1 1 394.830 3.880 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1F ZINC001171707721 904939563 /nfs/dbraw/zinc/93/95/63/904939563.db2.gz UKXDKCTZHNASOF-LJQANCHMSA-N 1 1 394.830 3.880 20 5 GHBDMO Cn1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290905314 914863885 /nfs/dbraw/zinc/86/38/85/914863885.db2.gz MLLNAOUOZTVWJB-ICSRJNTNSA-N 1 1 382.464 3.529 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000773342214 905389207 /nfs/dbraw/zinc/38/92/07/905389207.db2.gz VWDFGGNDVCPXOW-UHFFFAOYSA-N 1 1 393.447 3.663 20 5 GHBDMO COc1ccc(C2(N)CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)cc1 ZINC001172906691 905933690 /nfs/dbraw/zinc/93/36/90/905933690.db2.gz OHXMKJLZHCHIRQ-HXUWFJFHSA-N 1 1 395.503 3.801 20 5 GHBDMO COc1ccc(CC[N@@H+](C[C@H](C)O)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172907996 905936541 /nfs/dbraw/zinc/93/65/41/905936541.db2.gz KDSAQVSMVOWSHM-LAUBAEHRSA-N 1 1 398.503 3.776 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001173218899 906296339 /nfs/dbraw/zinc/29/63/39/906296339.db2.gz SRAWIRRBXGTXJU-XJKSGUPXSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001173220768 906297439 /nfs/dbraw/zinc/29/74/39/906297439.db2.gz CFSGBYMTAXMOBA-QRWLVFNGSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001173221691 906299852 /nfs/dbraw/zinc/29/98/52/906299852.db2.gz LIWPPQYUUFCFAW-IIBYNOLFSA-N 1 1 389.496 3.859 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001173233270 906318407 /nfs/dbraw/zinc/31/84/07/906318407.db2.gz VCYBRZYXLSSUAW-MAUKXSAKSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCSCc1ccc(CN(C)C)o1 ZINC001173210109 906327112 /nfs/dbraw/zinc/32/71/12/906327112.db2.gz IJRLQHFLCXONPN-OAHLLOKOSA-N 1 1 377.510 3.703 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000191394597 906955128 /nfs/dbraw/zinc/95/51/28/906955128.db2.gz JBULQPRIRCCDIK-IBGZPJMESA-N 1 1 396.491 3.898 20 5 GHBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(N2CCOC2=O)cc1 ZINC000181279832 906963148 /nfs/dbraw/zinc/96/31/48/906963148.db2.gz QBXOYWYRQJJAAL-LBPRGKRZSA-N 1 1 382.376 3.543 20 5 GHBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001174760470 907211485 /nfs/dbraw/zinc/21/14/85/907211485.db2.gz PHUAQGSMNWMWKG-CQSZACIVSA-N 1 1 397.397 3.728 20 5 GHBDMO CCc1ccc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)cc1 ZINC001175088004 907374424 /nfs/dbraw/zinc/37/44/24/907374424.db2.gz LPIGFCZWQDHKSS-UHFFFAOYSA-N 1 1 397.475 3.984 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC001176813644 908265356 /nfs/dbraw/zinc/26/53/56/908265356.db2.gz GLAQWPCXYDYKQJ-KUHUBIRLSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC001176813644 908265357 /nfs/dbraw/zinc/26/53/57/908265357.db2.gz GLAQWPCXYDYKQJ-KUHUBIRLSA-N 1 1 379.432 3.613 20 5 GHBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC001176908804 908315716 /nfs/dbraw/zinc/31/57/16/908315716.db2.gz IDTCYXUFLCLCJP-DFQSSKMNSA-N 1 1 383.448 3.692 20 5 GHBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC001176908804 908315730 /nfs/dbraw/zinc/31/57/30/908315730.db2.gz IDTCYXUFLCLCJP-DFQSSKMNSA-N 1 1 383.448 3.692 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000773692414 908659142 /nfs/dbraw/zinc/65/91/42/908659142.db2.gz DOBKQSMJLJEXAI-KFWWJZLASA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000773692414 908659147 /nfs/dbraw/zinc/65/91/47/908659147.db2.gz DOBKQSMJLJEXAI-KFWWJZLASA-N 1 1 395.887 3.714 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)nc2c1 ZINC000192134912 908728527 /nfs/dbraw/zinc/72/85/27/908728527.db2.gz CCMLMKQQWQAGOL-KSSFIOAISA-N 1 1 375.331 3.634 20 5 GHBDMO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001177750165 908736815 /nfs/dbraw/zinc/73/68/15/908736815.db2.gz WCCRLIGMSPSHIL-MGPUTAFESA-N 1 1 385.439 3.966 20 5 GHBDMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001177750165 908736819 /nfs/dbraw/zinc/73/68/19/908736819.db2.gz WCCRLIGMSPSHIL-MGPUTAFESA-N 1 1 385.439 3.966 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000194061527 908913059 /nfs/dbraw/zinc/91/30/59/908913059.db2.gz ISOHKOLTUPELIF-BBRMVZONSA-N 1 1 377.422 3.653 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@@H](COc4ccccc4)C3)c2)c1 ZINC000779886487 909060201 /nfs/dbraw/zinc/06/02/01/909060201.db2.gz WWUSBPQOXSINJA-QGZVFWFLSA-N 1 1 378.432 3.817 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000718015383 909077694 /nfs/dbraw/zinc/07/76/94/909077694.db2.gz GMURLUIMKYHHKZ-SFHVURJKSA-N 1 1 387.867 3.889 20 5 GHBDMO CC(C)([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000795217191 909359936 /nfs/dbraw/zinc/35/99/36/909359936.db2.gz ACJKJFKFVWTZTP-UHFFFAOYSA-N 1 1 382.869 3.547 20 5 GHBDMO CCn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC001179937070 909813788 /nfs/dbraw/zinc/81/37/88/909813788.db2.gz JMADXUQHLUKCHF-SFHVURJKSA-N 1 1 392.463 3.560 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](C)CCCOc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001180164693 910001518 /nfs/dbraw/zinc/00/15/18/910001518.db2.gz AMDACQAUXGRQNP-UHFFFAOYSA-N 1 1 380.828 3.863 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000247061132 910930958 /nfs/dbraw/zinc/93/09/58/910930958.db2.gz UFAPHEXQIVUDTJ-JKSUJKDBSA-N 1 1 386.496 3.570 20 5 GHBDMO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000271609291 910982494 /nfs/dbraw/zinc/98/24/94/910982494.db2.gz CCTTZUNUOYTQJV-HKUYNNGSSA-N 1 1 396.491 3.819 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC001182865203 912090113 /nfs/dbraw/zinc/09/01/13/912090113.db2.gz UNSIFTGCAYCYRN-FXPRHUDCSA-N 1 1 393.487 3.583 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC(F)(F)[C@H](CO)C3)o2)c(Cl)c1 ZINC000291319983 915099006 /nfs/dbraw/zinc/09/90/06/915099006.db2.gz SOCXRQPINVCYSM-NSHDSACASA-N 1 1 386.782 3.958 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)c1 ZINC001187430826 915286378 /nfs/dbraw/zinc/28/63/78/915286378.db2.gz QGYPHORHTSNMNB-AVRDEDQJSA-N 1 1 381.476 3.773 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@](CO)(Cc4ccccc4)C3)nc2c1 ZINC000292001135 915466831 /nfs/dbraw/zinc/46/68/31/915466831.db2.gz XIUIGBWWQIJODW-NRFANRHFSA-N 1 1 381.432 3.553 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@](CO)(Cc4ccccc4)C3)nc2c1 ZINC000292001135 915466840 /nfs/dbraw/zinc/46/68/40/915466840.db2.gz XIUIGBWWQIJODW-NRFANRHFSA-N 1 1 381.432 3.553 20 5 GHBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000292054368 915496405 /nfs/dbraw/zinc/49/64/05/915496405.db2.gz ZJZPQMPRYFKQOX-HZPDHXFCSA-N 1 1 399.495 3.621 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)cc1[N+](=O)[O-] ZINC000293318333 916123017 /nfs/dbraw/zinc/12/30/17/916123017.db2.gz FKVOCHUGMSIXTC-OAHLLOKOSA-N 1 1 385.468 3.543 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)COc1ccccc1 ZINC000775202140 916223883 /nfs/dbraw/zinc/22/38/83/916223883.db2.gz ZMZMRKOWVMHZMW-MRXNPFEDSA-N 1 1 378.856 3.899 20 5 GHBDMO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000293787479 916383403 /nfs/dbraw/zinc/38/34/03/916383403.db2.gz CIAQIEJOOOGCGW-AWEZNQCLSA-N 1 1 394.518 3.580 20 5 GHBDMO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000293787479 916383421 /nfs/dbraw/zinc/38/34/21/916383421.db2.gz CIAQIEJOOOGCGW-AWEZNQCLSA-N 1 1 394.518 3.580 20 5 GHBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001191744143 918193351 /nfs/dbraw/zinc/19/33/51/918193351.db2.gz ZDAHOOFPKRXIBF-HOTGVXAUSA-N 1 1 383.876 3.712 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000796593605 918579195 /nfs/dbraw/zinc/57/91/95/918579195.db2.gz JAGOQISFFUUALF-OKILXGFUSA-N 1 1 381.860 3.547 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000796593605 918579205 /nfs/dbraw/zinc/57/92/05/918579205.db2.gz JAGOQISFFUUALF-OKILXGFUSA-N 1 1 381.860 3.547 20 5 GHBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000364037680 919085634 /nfs/dbraw/zinc/08/56/34/919085634.db2.gz VQCIZHJMBIVYAQ-GOSISDBHSA-N 1 1 396.491 3.760 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@](F)(COC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000802148101 921861635 /nfs/dbraw/zinc/86/16/35/921861635.db2.gz YSWOTJVXNVEVFB-IERDGZPVSA-N 1 1 386.423 3.856 20 5 GHBDMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000367452262 922113245 /nfs/dbraw/zinc/11/32/45/922113245.db2.gz SXVQGMUWEXJXOL-CYBMUJFWSA-N 1 1 381.392 3.848 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2F)C2CC2)c([N+](=O)[O-])c1 ZINC000411129095 926100741 /nfs/dbraw/zinc/10/07/41/926100741.db2.gz BBZSGCWOWSAHKU-UHFFFAOYSA-N 1 1 387.411 3.736 20 5 GHBDMO CCC[N@H+](Cc1ccc(C)cc1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586257 926744331 /nfs/dbraw/zinc/74/43/31/926744331.db2.gz IWJHFDCEWBDOAK-UHFFFAOYSA-N 1 1 396.447 3.542 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000726601924 926755462 /nfs/dbraw/zinc/75/54/62/926755462.db2.gz UAPAFPDPQXRPDN-MAUKXSAKSA-N 1 1 393.484 3.741 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412014162 927003873 /nfs/dbraw/zinc/00/38/73/927003873.db2.gz WLEHTCJSAYVWSP-LJQANCHMSA-N 1 1 390.867 3.868 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)c1 ZINC000749675423 927230844 /nfs/dbraw/zinc/23/08/44/927230844.db2.gz ZCHUFKOKCBFUHD-IEBWSBKVSA-N 1 1 376.840 3.825 20 5 GHBDMO CCC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@H]1CCc2ccccc2C1 ZINC000749943681 927361616 /nfs/dbraw/zinc/36/16/16/927361616.db2.gz HNRZJQUNGXOQCC-SFHVURJKSA-N 1 1 379.464 3.875 20 5 GHBDMO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)N1CCc2ccccc21 ZINC000374908403 927684563 /nfs/dbraw/zinc/68/45/63/927684563.db2.gz GTQFRAOQHCGULK-UHFFFAOYSA-N 1 1 383.423 3.535 20 5 GHBDMO COc1ccc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000467167161 928780245 /nfs/dbraw/zinc/78/02/45/928780245.db2.gz ALFSTGLEHFEGHL-HNNXBMFYSA-N 1 1 383.448 3.810 20 5 GHBDMO CO[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC[C@@H]1C ZINC000467291745 928924577 /nfs/dbraw/zinc/92/45/77/928924577.db2.gz XYBKGQGICVIJOQ-DQLDELGASA-N 1 1 397.475 3.940 20 5 GHBDMO CO[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC[C@@H]1C ZINC000467291745 928924583 /nfs/dbraw/zinc/92/45/83/928924583.db2.gz XYBKGQGICVIJOQ-DQLDELGASA-N 1 1 397.475 3.940 20 5 GHBDMO O=C1N(C[N@H+](CCc2ccccc2)C2CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752789831 929024097 /nfs/dbraw/zinc/02/40/97/929024097.db2.gz QBMBQDWSTSPZEP-UHFFFAOYSA-N 1 1 380.448 3.501 20 5 GHBDMO O=C1N(C[N@@H+](CCc2ccccc2)C2CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752789831 929024112 /nfs/dbraw/zinc/02/41/12/929024112.db2.gz QBMBQDWSTSPZEP-UHFFFAOYSA-N 1 1 380.448 3.501 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000544546360 929275148 /nfs/dbraw/zinc/27/51/48/929275148.db2.gz FNCPYVPFQFGENJ-IBGZPJMESA-N 1 1 375.469 3.513 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000467717221 929334419 /nfs/dbraw/zinc/33/44/19/929334419.db2.gz ZTYIHOOZNWSCHK-AUUYWEPGSA-N 1 1 381.432 3.600 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CC[S@](=O)C(C)(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753668341 929471797 /nfs/dbraw/zinc/47/17/97/929471797.db2.gz HNMUKNLMPYTNEE-DWXRJYCRSA-N 1 1 378.494 3.976 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1Cc1ccccc1 ZINC000544767785 929560394 /nfs/dbraw/zinc/56/03/94/929560394.db2.gz IZRSWCLROQSEJW-QGZVFWFLSA-N 1 1 392.459 3.813 20 5 GHBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757109731 929648467 /nfs/dbraw/zinc/64/84/67/929648467.db2.gz PRKJZSUIVAEGNE-DYVFJYSZSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757109731 929648468 /nfs/dbraw/zinc/64/84/68/929648468.db2.gz PRKJZSUIVAEGNE-DYVFJYSZSA-N 1 1 381.448 3.859 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000758779361 930164967 /nfs/dbraw/zinc/16/49/67/930164967.db2.gz IMEGFGUXSDFPHM-GOEBONIOSA-N 1 1 393.484 3.729 20 5 GHBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000470156770 930415756 /nfs/dbraw/zinc/41/57/56/930415756.db2.gz RMAAWOKHZBMDDL-DYVFJYSZSA-N 1 1 388.395 3.910 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000470174087 930431388 /nfs/dbraw/zinc/43/13/88/930431388.db2.gz QBPKGORXQXEPML-QIPRVMPFSA-N 1 1 377.448 3.920 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000470176444 930432919 /nfs/dbraw/zinc/43/29/19/930432919.db2.gz KZITXLVKFOSWJD-PTNGSMBKSA-N 1 1 395.488 3.825 20 5 GHBDMO O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000781967195 931045293 /nfs/dbraw/zinc/04/52/93/931045293.db2.gz VCKVTTCGTBBAAY-UHFFFAOYSA-N 1 1 377.282 3.505 20 5 GHBDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531422 931259753 /nfs/dbraw/zinc/25/97/53/931259753.db2.gz OGFBGKBIFVNDEX-MNOVXSKESA-N 1 1 377.338 3.725 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000782897904 931361369 /nfs/dbraw/zinc/36/13/69/931361369.db2.gz KRERTDIEOFZURL-IBGZPJMESA-N 1 1 393.447 3.829 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000782897904 931361375 /nfs/dbraw/zinc/36/13/75/931361375.db2.gz KRERTDIEOFZURL-IBGZPJMESA-N 1 1 393.447 3.829 20 5 GHBDMO Cc1ccc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc1[N+](=O)[O-] ZINC000557459669 931445212 /nfs/dbraw/zinc/44/52/12/931445212.db2.gz NTBCIPCDHGGPSV-GOSISDBHSA-N 1 1 379.416 3.757 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c1 ZINC000557461560 931446655 /nfs/dbraw/zinc/44/66/55/931446655.db2.gz VHEPOELUNWPHMY-GOSISDBHSA-N 1 1 379.416 3.757 20 5 GHBDMO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000784005660 931751126 /nfs/dbraw/zinc/75/11/26/931751126.db2.gz QUGOLBAKFWRIDY-CTNGQTDRSA-N 1 1 378.432 3.988 20 5 GHBDMO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000784005660 931751130 /nfs/dbraw/zinc/75/11/30/931751130.db2.gz QUGOLBAKFWRIDY-CTNGQTDRSA-N 1 1 378.432 3.988 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000784005663 931751209 /nfs/dbraw/zinc/75/12/09/931751209.db2.gz QUGOLBAKFWRIDY-TZIWHRDSSA-N 1 1 378.432 3.988 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000784005663 931751213 /nfs/dbraw/zinc/75/12/13/931751213.db2.gz QUGOLBAKFWRIDY-TZIWHRDSSA-N 1 1 378.432 3.988 20 5 GHBDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000784030347 931760805 /nfs/dbraw/zinc/76/08/05/931760805.db2.gz PCHYNINWKLKWKS-GOSISDBHSA-N 1 1 377.448 3.917 20 5 GHBDMO C/C(=C\C(=O)O[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784868015 932015485 /nfs/dbraw/zinc/01/54/85/932015485.db2.gz VVVNUXYZFVZPNY-FIIODCPWSA-N 1 1 396.447 3.617 20 5 GHBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000559074149 932414282 /nfs/dbraw/zinc/41/42/82/932414282.db2.gz VTDVYSYMPDSYOL-QGZVFWFLSA-N 1 1 376.478 3.951 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000798965810 932843199 /nfs/dbraw/zinc/84/31/99/932843199.db2.gz ZWARMHIALSYLAP-GFCCVEGCSA-N 1 1 379.363 3.589 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000799156078 932890157 /nfs/dbraw/zinc/89/01/57/932890157.db2.gz LIBMGLAYTFLPOV-DVMWJLJYSA-N 1 1 384.480 3.677 20 5 GHBDMO COc1ccccc1N1CC[C@H]([N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1=O ZINC000560018694 933021474 /nfs/dbraw/zinc/02/14/74/933021474.db2.gz WMRSLBAOKQMCJG-IBGZPJMESA-N 1 1 383.448 3.619 20 5 GHBDMO COc1ccccc1N1CC[C@H]([N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1=O ZINC000560018694 933021478 /nfs/dbraw/zinc/02/14/78/933021478.db2.gz WMRSLBAOKQMCJG-IBGZPJMESA-N 1 1 383.448 3.619 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c2cc([N+](=O)[O-])ccc12 ZINC000799941293 933179250 /nfs/dbraw/zinc/17/92/50/933179250.db2.gz PWSRQKOISMGNRZ-MRXNPFEDSA-N 1 1 394.479 3.623 20 5 GHBDMO COC[C@H]1CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000560568928 933351601 /nfs/dbraw/zinc/35/16/01/933351601.db2.gz OWGKJWBNZZEGSD-HXUWFJFHSA-N 1 1 378.432 3.668 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001116551203 933629380 /nfs/dbraw/zinc/62/93/80/933629380.db2.gz KMNPIXVJFJOOCG-NNMXDRDESA-N 1 1 382.460 3.736 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116640558 933679063 /nfs/dbraw/zinc/67/90/63/933679063.db2.gz SXWRICMLXXBBRG-NRFANRHFSA-N 1 1 396.491 3.777 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(OCC(F)(F)F)n2)cc1Cl ZINC001116842983 933790200 /nfs/dbraw/zinc/79/02/00/933790200.db2.gz PHLVPXDVUXOGCJ-UHFFFAOYSA-N 1 1 375.734 3.874 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000930225824 933905638 /nfs/dbraw/zinc/90/56/38/933905638.db2.gz GBBNXMWRIZAXJC-QGZVFWFLSA-N 1 1 379.254 3.961 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@@H](COCc4ccccc4)C3)c2)c1 ZINC000777956324 934382609 /nfs/dbraw/zinc/38/26/09/934382609.db2.gz FGMUBKLOOALGTI-LJQANCHMSA-N 1 1 392.459 3.955 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913599 934763148 /nfs/dbraw/zinc/76/31/48/934763148.db2.gz JXKUMUYLSYRYIX-HNNXBMFYSA-N 1 1 389.349 3.598 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](Cc4nccs4)C3)n2)c1 ZINC000932202234 934849200 /nfs/dbraw/zinc/84/92/00/934849200.db2.gz HVWUHGRQMQUMDK-CYBMUJFWSA-N 1 1 385.449 3.556 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](Cc4nccs4)C3)n2)c1 ZINC000932202234 934849206 /nfs/dbraw/zinc/84/92/06/934849206.db2.gz HVWUHGRQMQUMDK-CYBMUJFWSA-N 1 1 385.449 3.556 20 5 GHBDMO Cc1c(Br)cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001125026585 935510453 /nfs/dbraw/zinc/51/04/53/935510453.db2.gz PPSCSOZJKRLMTA-NWDGAFQWSA-N 1 1 398.301 3.658 20 5 GHBDMO C[C@]1(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1(Cl)Cl ZINC000828857725 935729220 /nfs/dbraw/zinc/72/92/20/935729220.db2.gz GMROBLXWTFNUEQ-MRXNPFEDSA-N 1 1 398.294 3.567 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000829835039 935870861 /nfs/dbraw/zinc/87/08/61/935870861.db2.gz VXMQTRHOVICAJO-OAHLLOKOSA-N 1 1 388.317 3.846 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001625815989 1014200680 /nfs/dbraw/zinc/20/06/80/1014200680.db2.gz BIPNWTRHRVACSQ-HNNXBMFYSA-N 1 1 381.904 3.952 20 5 GHBDMO CCOc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC001626006971 1014750404 /nfs/dbraw/zinc/75/04/04/1014750404.db2.gz WXKYKKKQIBWHNE-GOSISDBHSA-N 1 1 398.463 3.698 20 5 GHBDMO CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544850224 1015099817 /nfs/dbraw/zinc/09/98/17/1015099817.db2.gz QOGCIMIGXCSADH-SFHVURJKSA-N 1 1 387.867 3.985 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000545845335 1016508706 /nfs/dbraw/zinc/50/87/06/1016508706.db2.gz RKSARIZKAAIOBY-MOPGFXCFSA-N 1 1 385.439 3.573 20 5 GHBDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000469760920 1016616191 /nfs/dbraw/zinc/61/61/91/1016616191.db2.gz ORQITFLWOYZRIW-ROUUACIJSA-N 1 1 383.492 3.720 20 5 GHBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]1C ZINC000470155677 1016739207 /nfs/dbraw/zinc/73/92/07/1016739207.db2.gz BKMCIZLABFPMQL-RISCZKNCSA-N 1 1 378.812 3.892 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC001227045316 1032249850 /nfs/dbraw/zinc/24/98/50/1032249850.db2.gz VLEUPNPUYPTXTJ-WGMWDUQUSA-N 1 1 396.443 3.671 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094423 1032268144 /nfs/dbraw/zinc/26/81/44/1032268144.db2.gz AZELEEWCSJTAPR-AUUYWEPGSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094423 1032268153 /nfs/dbraw/zinc/26/81/53/1032268153.db2.gz AZELEEWCSJTAPR-AUUYWEPGSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(Br)nc1[N+](=O)[O-] ZINC001227260112 1032345830 /nfs/dbraw/zinc/34/58/30/1032345830.db2.gz PIPHSSWMCXFITL-WFASDCNBSA-N 1 1 392.253 3.652 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c([N+](=O)[O-])c1 ZINC001227297891 1032359950 /nfs/dbraw/zinc/35/99/50/1032359950.db2.gz HGJLARORNHWCFF-WGMWDUQUSA-N 1 1 396.443 3.671 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001227296355 1032360345 /nfs/dbraw/zinc/36/03/45/1032360345.db2.gz WIHZGJCSXRWSMW-YWZLYKJASA-N 1 1 384.432 3.671 20 5 GHBDMO Cc1cc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000560762276 1017714811 /nfs/dbraw/zinc/71/48/11/1017714811.db2.gz TVAUSIWVPLCWFK-JOCHJYFZSA-N 1 1 379.460 3.641 20 5 GHBDMO COc1cc(C[NH2+][C@@H](c2ccccn2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000932380037 1018247546 /nfs/dbraw/zinc/24/75/46/1018247546.db2.gz QBKLWAYLYOWTLX-QGZVFWFLSA-N 1 1 379.363 3.841 20 5 GHBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001155877855 1032758378 /nfs/dbraw/zinc/75/83/78/1032758378.db2.gz TXVCTVGESXEQEG-UHFFFAOYSA-N 1 1 382.464 3.509 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c(F)c1 ZINC000778096942 1018417817 /nfs/dbraw/zinc/41/78/17/1018417817.db2.gz KDZLGXREVIJJGC-HNNXBMFYSA-N 1 1 392.736 3.927 20 5 GHBDMO CCOc1cccc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000564502624 1019083259 /nfs/dbraw/zinc/08/32/59/1019083259.db2.gz DHHMOVDGIPLWEM-INIZCTEOSA-N 1 1 385.464 3.826 20 5 GHBDMO CCOc1cccc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000564502624 1019083276 /nfs/dbraw/zinc/08/32/76/1019083276.db2.gz DHHMOVDGIPLWEM-INIZCTEOSA-N 1 1 385.464 3.826 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)nc2c1 ZINC001156315430 1032976480 /nfs/dbraw/zinc/97/64/80/1032976480.db2.gz OACCBTNZPCBMLD-BHIYHBOVSA-N 1 1 389.459 3.861 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)nc21 ZINC001156317285 1032980179 /nfs/dbraw/zinc/98/01/79/1032980179.db2.gz KYFBNPYZINKFIK-BRWVUGGUSA-N 1 1 377.448 3.794 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000835068022 1021850172 /nfs/dbraw/zinc/85/01/72/1021850172.db2.gz CNOIITWXHXRITL-ZBFHGGJFSA-N 1 1 393.484 3.586 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000754095577 1022478086 /nfs/dbraw/zinc/47/80/86/1022478086.db2.gz WPVSXYYVKYEZHQ-BMRADRMJSA-N 1 1 379.460 3.563 20 5 GHBDMO COC(=O)c1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC001228769869 1033088143 /nfs/dbraw/zinc/08/81/43/1033088143.db2.gz CWCSGHJWUDTXEQ-FOIQADDNSA-N 1 1 384.432 3.671 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c2ccc([N+](=O)[O-])cc12 ZINC000755788441 1023378082 /nfs/dbraw/zinc/37/80/82/1023378082.db2.gz FLXXNBQSSLLLFX-KRWDZBQOSA-N 1 1 390.447 3.725 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756929767 1023873120 /nfs/dbraw/zinc/87/31/20/1023873120.db2.gz VTAACAHCXQQQAM-ZDUSSCGKSA-N 1 1 382.892 3.558 20 5 GHBDMO C[C@H](Oc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229006529 1033227730 /nfs/dbraw/zinc/22/77/30/1033227730.db2.gz ANWIFSIOBMLQTH-KKSFZXQISA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@H](Oc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229006529 1033227749 /nfs/dbraw/zinc/22/77/49/1033227749.db2.gz ANWIFSIOBMLQTH-KKSFZXQISA-N 1 1 393.443 3.811 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)c1 ZINC000831594554 1024671190 /nfs/dbraw/zinc/67/11/90/1024671190.db2.gz VTSHKEUBURJETL-QAPCUYQASA-N 1 1 391.265 3.880 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001229059608 1033255418 /nfs/dbraw/zinc/25/54/18/1033255418.db2.gz SBXBXOIQZQIDSS-HNNXBMFYSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001229059840 1033256519 /nfs/dbraw/zinc/25/65/19/1033256519.db2.gz WPQQBJBFFXWCCZ-HNAYVOBHSA-N 1 1 384.432 3.671 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001138608387 1025097988 /nfs/dbraw/zinc/09/79/88/1025097988.db2.gz XYJLCUGMDKBFMQ-IBGZPJMESA-N 1 1 394.475 3.963 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC001205169188 1033281914 /nfs/dbraw/zinc/28/19/14/1033281914.db2.gz DAJHZFICAYWMRV-KRWDZBQOSA-N 1 1 383.496 3.909 20 5 GHBDMO Cc1cccc(N2CCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC2)[nH+]1 ZINC001163667798 1026272563 /nfs/dbraw/zinc/27/25/63/1026272563.db2.gz DGVAXEVSQVLUMC-UHFFFAOYSA-N 1 1 383.839 3.826 20 5 GHBDMO CCN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001163834558 1026333354 /nfs/dbraw/zinc/33/33/54/1026333354.db2.gz SJJQDKBZJVYTCU-PCUGXKRQSA-N 1 1 384.480 3.988 20 5 GHBDMO Cc1[nH+]ccn1CCNc1nnc(-c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001163919973 1026361351 /nfs/dbraw/zinc/36/13/51/1026361351.db2.gz MAZLGDUJSJJCFE-UHFFFAOYSA-N 1 1 392.341 3.688 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001139622900 1026489718 /nfs/dbraw/zinc/48/97/18/1026489718.db2.gz SJPVUAFBTHFUSA-MOPGFXCFSA-N 1 1 376.416 3.509 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1c1ccccc1 ZINC001461150961 1069414994 /nfs/dbraw/zinc/41/49/94/1069414994.db2.gz AXBBJSWKXXHZIQ-IBGZPJMESA-N 1 1 377.400 3.750 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N(Cc2ccccc2)C2CCOCC2)ncc1[N+](=O)[O-] ZINC001166812897 1027092265 /nfs/dbraw/zinc/09/22/65/1027092265.db2.gz KIRRMEPLDDGCTA-DHZHZOJOSA-N 1 1 382.464 3.708 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC001216266098 1029588524 /nfs/dbraw/zinc/58/85/24/1029588524.db2.gz ZAFWXXIEOVERNG-UHFFFAOYSA-N 1 1 382.464 3.815 20 5 GHBDMO COc1ccccc1-c1noc(-c2cc(-n3cc[nH+]c3C)ccc2[N+](=O)[O-])n1 ZINC001216552618 1029683262 /nfs/dbraw/zinc/68/32/62/1029683262.db2.gz FJPZHLNSILJTGJ-UHFFFAOYSA-N 1 1 377.360 3.815 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001222772560 1030302693 /nfs/dbraw/zinc/30/26/93/1030302693.db2.gz DRWCZQDQSGNZRR-KKSFZXQISA-N 1 1 398.459 3.809 20 5 GHBDMO COc1cc(COC2CCN(c3cc(C)cc[nH+]3)CC2)c([N+](=O)[O-])cc1OC ZINC001223906636 1030803211 /nfs/dbraw/zinc/80/32/11/1030803211.db2.gz IUJWNNJVQPZQNH-UHFFFAOYSA-N 1 1 387.436 3.501 20 5 GHBDMO COc1cc(CO[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC001223907957 1030803319 /nfs/dbraw/zinc/80/33/19/1030803319.db2.gz XQBBHEIGGAAWMW-BTYIYWSLSA-N 1 1 386.448 3.649 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001225593931 1031496001 /nfs/dbraw/zinc/49/60/01/1031496001.db2.gz DHASYQZWEOVZIU-OAHLLOKOSA-N 1 1 389.383 3.994 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001225593931 1031496007 /nfs/dbraw/zinc/49/60/07/1031496007.db2.gz DHASYQZWEOVZIU-OAHLLOKOSA-N 1 1 389.383 3.994 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)c2c1 ZINC001226441717 1031961472 /nfs/dbraw/zinc/96/14/72/1031961472.db2.gz UFCMMBMHMZDWET-LKUPVBHCSA-N 1 1 390.443 3.827 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229365161 1033440104 /nfs/dbraw/zinc/44/01/04/1033440104.db2.gz SNVXSLRPVBVWLH-LIRRHRJNSA-N 1 1 394.431 3.533 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001229402229 1033458906 /nfs/dbraw/zinc/45/89/06/1033458906.db2.gz ISIMBBUHCKKKCB-NBHGPNQESA-N 1 1 390.443 3.827 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001230251284 1033962463 /nfs/dbraw/zinc/96/24/63/1033962463.db2.gz PCIGRFPVJBMFRS-PBHICJAKSA-N 1 1 384.436 3.553 20 5 GHBDMO Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230493318 1034089312 /nfs/dbraw/zinc/08/93/12/1034089312.db2.gz ZYXIEKJCSDPFCS-OAHLLOKOSA-N 1 1 389.383 3.994 20 5 GHBDMO Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230493318 1034089316 /nfs/dbraw/zinc/08/93/16/1034089316.db2.gz ZYXIEKJCSDPFCS-OAHLLOKOSA-N 1 1 389.383 3.994 20 5 GHBDMO COc1cc(C)nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001159293580 1034527842 /nfs/dbraw/zinc/52/78/42/1034527842.db2.gz HSSUYWQHMGYPJM-NNZMDNLPSA-N 1 1 382.464 3.914 20 5 GHBDMO CC[N@@H+](CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCCC1 ZINC001278388311 1036637073 /nfs/dbraw/zinc/63/70/73/1036637073.db2.gz VNZOFHLAQLNSJD-UHFFFAOYSA-N 1 1 399.495 3.555 20 5 GHBDMO COc1ccc(C[C@H](C)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001246682871 1037546365 /nfs/dbraw/zinc/54/63/65/1037546365.db2.gz OMNDWOYTJFPZBI-AMHTUMDSSA-N 1 1 395.503 3.614 20 5 GHBDMO CCOc1cc(-c2nc3ccccc3n2C2CC[NH2+]CC2)cc([N+](=O)[O-])c1O ZINC001247021023 1037842560 /nfs/dbraw/zinc/84/25/60/1037842560.db2.gz HNMSHLFFAPSZNS-UHFFFAOYSA-N 1 1 382.420 3.640 20 5 GHBDMO Cc1cc(C(F)(F)F)c(-c2noc([C@@H]([NH3+])Cc3ccccc3[N+](=O)[O-])n2)cn1 ZINC001247673984 1038309392 /nfs/dbraw/zinc/30/93/92/1038309392.db2.gz SVCKQKHDHISPLW-ZDUSSCGKSA-N 1 1 393.325 3.610 20 5 GHBDMO O=C1[C@@H]([N@@H+]2Cc3ccccc3C3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000510592274 1039286592 /nfs/dbraw/zinc/28/65/92/1039286592.db2.gz PEWMXFNJPVBPAZ-FQEVSTJZSA-N 1 1 377.444 3.638 20 5 GHBDMO O=C1[C@@H]([N@H+]2Cc3ccccc3C3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000510592274 1039286598 /nfs/dbraw/zinc/28/65/98/1039286598.db2.gz PEWMXFNJPVBPAZ-FQEVSTJZSA-N 1 1 377.444 3.638 20 5 GHBDMO O=C1[C@H]([N@@H+]2Cc3ccccc3C3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000510592277 1039288634 /nfs/dbraw/zinc/28/86/34/1039288634.db2.gz PEWMXFNJPVBPAZ-HXUWFJFHSA-N 1 1 377.444 3.638 20 5 GHBDMO O=C1[C@H]([N@H+]2Cc3ccccc3C3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000510592277 1039288645 /nfs/dbraw/zinc/28/86/45/1039288645.db2.gz PEWMXFNJPVBPAZ-HXUWFJFHSA-N 1 1 377.444 3.638 20 5 GHBDMO Cc1c(CNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001234101626 1039842200 /nfs/dbraw/zinc/84/22/00/1039842200.db2.gz DOBWTLXJKCCRCB-FQEVSTJZSA-N 1 1 396.491 3.757 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCO[C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001254480390 1040268304 /nfs/dbraw/zinc/26/83/04/1040268304.db2.gz FHQYAZLNUDMCMW-QFIPXVFZSA-N 1 1 381.476 3.507 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001254552294 1040321894 /nfs/dbraw/zinc/32/18/94/1040321894.db2.gz KATBFQHAOJLUGE-ZUIJCZDSSA-N 1 1 375.469 3.515 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254553866 1040322613 /nfs/dbraw/zinc/32/26/13/1040322613.db2.gz ZSLARZSFRHUIKB-RDJZCZTQSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001254554582 1040324673 /nfs/dbraw/zinc/32/46/73/1040324673.db2.gz BYFRTWOIWBBZCX-RBDMOPTHSA-N 1 1 397.475 3.623 20 5 GHBDMO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@H](C)Cc2ccccc2[N+](=O)[O-])O1 ZINC001254558662 1040327496 /nfs/dbraw/zinc/32/74/96/1040327496.db2.gz VANCEIMWANHJCG-KRZXBLKESA-N 1 1 376.497 3.820 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001254558658 1040328935 /nfs/dbraw/zinc/32/89/35/1040328935.db2.gz UYPSYYNWFMTGIX-ZHRRBRCNSA-N 1 1 397.450 3.794 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001254562973 1040336547 /nfs/dbraw/zinc/33/65/47/1040336547.db2.gz VHNWXPBPQYAAGA-AUSIDOKSSA-N 1 1 395.503 3.897 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001254562973 1040336560 /nfs/dbraw/zinc/33/65/60/1040336560.db2.gz VHNWXPBPQYAAGA-AUSIDOKSSA-N 1 1 395.503 3.897 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2nn(CC3CC3)cc21 ZINC001254563017 1040337106 /nfs/dbraw/zinc/33/71/06/1040337106.db2.gz WJHZAFZNDKUOHN-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2nn(CC3CC3)cc21 ZINC001254563017 1040337119 /nfs/dbraw/zinc/33/71/19/1040337119.db2.gz WJHZAFZNDKUOHN-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO CC[C@H]1[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001254596597 1040369292 /nfs/dbraw/zinc/36/92/92/1040369292.db2.gz PMTMGOQBVVLJCM-XJUOHMSHSA-N 1 1 397.519 3.708 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+]([C@@H]4CCc5c4cccc5F)CC3)nc2c1 ZINC001255184351 1040891789 /nfs/dbraw/zinc/89/17/89/1040891789.db2.gz MRECLACLDNAXGB-HXUWFJFHSA-N 1 1 395.438 3.810 20 5 GHBDMO Cc1cc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c([N+](=O)[O-])c(C)n1 ZINC001255469352 1041072056 /nfs/dbraw/zinc/07/20/56/1041072056.db2.gz PSGXOHLOAASBTL-INIZCTEOSA-N 1 1 379.420 3.646 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCc4c(F)cccc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256100987 1041529090 /nfs/dbraw/zinc/52/90/90/1041529090.db2.gz XINDXXGYKXWOOH-UHFFFAOYSA-N 1 1 385.439 3.770 20 5 GHBDMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C)C1 ZINC001291113128 1043084949 /nfs/dbraw/zinc/08/49/49/1043084949.db2.gz XSAUWGMPHSDENE-IRXDYDNUSA-N 1 1 398.511 3.574 20 5 GHBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001293328513 1044117424 /nfs/dbraw/zinc/11/74/24/1044117424.db2.gz PICAOBYOSHAKLS-LJQANCHMSA-N 1 1 396.491 3.811 20 5 GHBDMO CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001294594926 1044718598 /nfs/dbraw/zinc/71/85/98/1044718598.db2.gz RAGTXRXMEOPGQE-MRXNPFEDSA-N 1 1 398.511 3.574 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001294804383 1044800871 /nfs/dbraw/zinc/80/08/71/1044800871.db2.gz NQVOSIDFHMQWMO-VQIMIIECSA-N 1 1 397.475 3.775 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC001302035760 1046788325 /nfs/dbraw/zinc/78/83/25/1046788325.db2.gz MPLWZOATESGEMJ-GOSISDBHSA-N 1 1 397.475 3.578 20 5 GHBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001306523693 1048714621 /nfs/dbraw/zinc/71/46/21/1048714621.db2.gz DTPAUZYUPJDMIM-IBGZPJMESA-N 1 1 391.487 3.827 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1 ZINC001306829221 1048917983 /nfs/dbraw/zinc/91/79/83/1048917983.db2.gz PIPOSHBZRGEWGP-HNNXBMFYSA-N 1 1 399.447 3.610 20 5 GHBDMO Cc1nc(N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)ncc1[N+](=O)[O-] ZINC001306993890 1048996069 /nfs/dbraw/zinc/99/60/69/1048996069.db2.gz XCWVFRIIRIQPLK-UHFFFAOYSA-N 1 1 381.480 3.718 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)c2c1 ZINC001307088129 1049065363 /nfs/dbraw/zinc/06/53/63/1049065363.db2.gz CHDUURWASJKTAN-FOIQADDNSA-N 1 1 392.459 3.506 20 5 GHBDMO CC(C)[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H](O)COc1cccc2ccccc21 ZINC001307458548 1049293984 /nfs/dbraw/zinc/29/39/84/1049293984.db2.gz HURPNBSXTSNRLR-IBGZPJMESA-N 1 1 395.459 3.793 20 5 GHBDMO CC(C)[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H](O)COc1cccc2ccccc21 ZINC001307458548 1049293999 /nfs/dbraw/zinc/29/39/99/1049293999.db2.gz HURPNBSXTSNRLR-IBGZPJMESA-N 1 1 395.459 3.793 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC001307487651 1049327162 /nfs/dbraw/zinc/32/71/62/1049327162.db2.gz NDLVIFHOBCHPQK-UHFFFAOYSA-N 1 1 382.302 3.808 20 5 GHBDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC001307497312 1049335232 /nfs/dbraw/zinc/33/52/32/1049335232.db2.gz RPCYCJGAPMHNTR-LIRRHRJNSA-N 1 1 383.448 3.859 20 5 GHBDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC001307497312 1049335245 /nfs/dbraw/zinc/33/52/45/1049335245.db2.gz RPCYCJGAPMHNTR-LIRRHRJNSA-N 1 1 383.448 3.859 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001307502606 1049344253 /nfs/dbraw/zinc/34/42/53/1049344253.db2.gz ZFEODZWMQWKOQV-QZTJIDSGSA-N 1 1 396.491 3.518 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1F)C1CC1 ZINC001307618832 1049454675 /nfs/dbraw/zinc/45/46/75/1049454675.db2.gz KZPQDUZYHKTJSM-IBGZPJMESA-N 1 1 375.375 3.861 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H](O)CCOCc3ccccc3)C2)cc1 ZINC001307779507 1049587810 /nfs/dbraw/zinc/58/78/10/1049587810.db2.gz MFVUVMHZXBOBOH-IRLDBZIGSA-N 1 1 384.476 3.742 20 5 GHBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307857044 1049639312 /nfs/dbraw/zinc/63/93/12/1049639312.db2.gz AUPCHBNKCBQBQD-VYDXJSESSA-N 1 1 377.485 3.966 20 5 GHBDMO COc1ccc(C[N@H+](C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001307913246 1049690357 /nfs/dbraw/zinc/69/03/57/1049690357.db2.gz QZPXXSAVWYRETO-UHFFFAOYSA-N 1 1 391.468 3.577 20 5 GHBDMO COc1ccc(C[N@@H+](C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001307913246 1049690359 /nfs/dbraw/zinc/69/03/59/1049690359.db2.gz QZPXXSAVWYRETO-UHFFFAOYSA-N 1 1 391.468 3.577 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001308074515 1049820897 /nfs/dbraw/zinc/82/08/97/1049820897.db2.gz RGQNZRVEKVJBNS-QKLQHJQFSA-N 1 1 397.500 3.878 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC001308570102 1050014023 /nfs/dbraw/zinc/01/40/23/1050014023.db2.gz DFZDAQRCVPTLNG-IYBDPMFKSA-N 1 1 375.469 3.863 20 5 GHBDMO COc1c(O)ccc(C[NH+]2CCC(N3c4ccccc4C[C@H]3C)CC2)c1[N+](=O)[O-] ZINC001308584046 1050019093 /nfs/dbraw/zinc/01/90/93/1050019093.db2.gz FMLSLXVBICVVMI-OAHLLOKOSA-N 1 1 397.475 3.725 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001308802359 1050100336 /nfs/dbraw/zinc/10/03/36/1050100336.db2.gz LNEOFPZZFOKBLI-ZBFHGGJFSA-N 1 1 378.469 3.793 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC001308879704 1050136358 /nfs/dbraw/zinc/13/63/58/1050136358.db2.gz ZROWDYQBLPULHV-UHFFFAOYSA-N 1 1 394.397 3.948 20 5 GHBDMO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1F ZINC001308921778 1050173680 /nfs/dbraw/zinc/17/36/80/1050173680.db2.gz ARBLHBGKRWBTID-CQSZACIVSA-N 1 1 393.802 3.679 20 5 GHBDMO Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001311712040 1052349798 /nfs/dbraw/zinc/34/97/98/1052349798.db2.gz IUGVYZICCRLEHV-VQIMIIECSA-N 1 1 382.464 3.538 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H](CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001345025027 1054859039 /nfs/dbraw/zinc/85/90/39/1054859039.db2.gz VNKGLUYYPSDJMP-OAHLLOKOSA-N 1 1 375.469 3.600 20 5 GHBDMO C[C@@H](CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC001319300150 1055167787 /nfs/dbraw/zinc/16/77/87/1055167787.db2.gz RZPILPVUQDNAHN-INIZCTEOSA-N 1 1 382.464 3.531 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001319416396 1055238479 /nfs/dbraw/zinc/23/84/79/1055238479.db2.gz QWJFCJCHYXUPJC-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC001319925130 1055544469 /nfs/dbraw/zinc/54/44/69/1055544469.db2.gz CAOXBRSMMPPLFR-MRXNPFEDSA-N 1 1 385.464 3.803 20 5 GHBDMO Cn1cc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)CC2(C)C)cn1 ZINC001326715787 1057540637 /nfs/dbraw/zinc/54/06/37/1057540637.db2.gz FIGNAKGAEOVUQA-OAHLLOKOSA-N 1 1 393.285 3.716 20 5 GHBDMO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc([N+](=O)[O-])ccc1F ZINC001449231151 1060359958 /nfs/dbraw/zinc/35/99/58/1060359958.db2.gz UNFLXZQEGZBDOJ-GOSISDBHSA-N 1 1 383.379 3.588 20 5 GHBDMO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001341554364 1060743096 /nfs/dbraw/zinc/74/30/96/1060743096.db2.gz UBBGNSXYYPLKHO-UHFFFAOYSA-N 1 1 379.844 3.808 20 5 GHBDMO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001341554364 1060743108 /nfs/dbraw/zinc/74/31/08/1060743108.db2.gz UBBGNSXYYPLKHO-UHFFFAOYSA-N 1 1 379.844 3.808 20 5 GHBDMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C2)c1 ZINC001454306038 1061708126 /nfs/dbraw/zinc/70/81/26/1061708126.db2.gz AHRCLTZILINVSP-HNNXBMFYSA-N 1 1 391.830 3.700 20 5 GHBDMO C[N@@H+](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1 ZINC001457393065 1063134035 /nfs/dbraw/zinc/13/40/35/1063134035.db2.gz FXUTURSGQDVVJV-UHFFFAOYSA-N 1 1 393.846 3.568 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c([N+](=O)[O-])cc1F ZINC001436105505 1063195645 /nfs/dbraw/zinc/19/56/45/1063195645.db2.gz LQCHAFABEJUMPV-UHFFFAOYSA-N 1 1 381.791 3.710 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC001348844835 1063350194 /nfs/dbraw/zinc/35/01/94/1063350194.db2.gz QWNCOYKPRUTQTO-GOSISDBHSA-N 1 1 392.456 3.869 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC001458315253 1063738423 /nfs/dbraw/zinc/73/84/23/1063738423.db2.gz LWGAPBYSQMMVKP-OAHLLOKOSA-N 1 1 379.432 3.903 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC001458315253 1063738439 /nfs/dbraw/zinc/73/84/39/1063738439.db2.gz LWGAPBYSQMMVKP-OAHLLOKOSA-N 1 1 379.432 3.903 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001437766083 1063928037 /nfs/dbraw/zinc/92/80/37/1063928037.db2.gz FMCNBBTXBIGUPG-HNNXBMFYSA-N 1 1 385.386 3.750 20 5 GHBDMO CSc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001438339172 1064038088 /nfs/dbraw/zinc/03/80/88/1064038088.db2.gz XLAZCIFKNMGGJF-YJBOKZPZSA-N 1 1 399.516 3.815 20 5 GHBDMO COC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001459831958 1064236018 /nfs/dbraw/zinc/23/60/18/1064236018.db2.gz BXHKZXVMHVAWOC-HNNXBMFYSA-N 1 1 383.217 3.974 20 5 GHBDMO CCOc1cc(N2CC[NH+]([C@H]3C[C@@H]3c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC001460046984 1064374670 /nfs/dbraw/zinc/37/46/70/1064374670.db2.gz SXVOUHROLVIWDV-QUCCMNQESA-N 1 1 385.439 3.811 20 5 GHBDMO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1c[nH+]ccc1Nc1ccccc1 ZINC001300172560 1065555057 /nfs/dbraw/zinc/55/50/57/1065555057.db2.gz WLVRGDLFCLVVDJ-UHFFFAOYSA-N 1 1 377.404 3.596 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C2)cc1 ZINC001465544632 1065703755 /nfs/dbraw/zinc/70/37/55/1065703755.db2.gz DKGSPGMDBJCYOT-MRXNPFEDSA-N 1 1 388.855 3.953 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001466055574 1065968194 /nfs/dbraw/zinc/96/81/94/1065968194.db2.gz ANHUAXXOZDWTAA-LJQANCHMSA-N 1 1 387.867 3.919 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001466678496 1066252398 /nfs/dbraw/zinc/25/23/98/1066252398.db2.gz DMHHVUKQCXRZDP-KRWDZBQOSA-N 1 1 386.427 3.910 20 5 GHBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC001357702414 1067236467 /nfs/dbraw/zinc/23/64/67/1067236467.db2.gz WWCUZQCYVWQNQD-QGZVFWFLSA-N 1 1 383.473 3.698 20 5 GHBDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473431536 1067559611 /nfs/dbraw/zinc/55/96/11/1067559611.db2.gz GCVGOTQXQBBMOU-LPHOPBHVSA-N 1 1 379.460 3.670 20 5 GHBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001469608199 1068255516 /nfs/dbraw/zinc/25/55/16/1068255516.db2.gz RSQIRCIFLJQBSP-CALCHBBNSA-N 1 1 397.475 3.729 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001470249345 1068646453 /nfs/dbraw/zinc/64/64/53/1068646453.db2.gz KENAAFAPGAXZJD-CQSZACIVSA-N 1 1 379.888 3.704 20 5 GHBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[N@H+](C2CCC2)C1 ZINC001460141412 1068807614 /nfs/dbraw/zinc/80/76/14/1068807614.db2.gz GNPDCLAFSIJJRQ-CYBMUJFWSA-N 1 1 382.302 3.664 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC001460311829 1068919080 /nfs/dbraw/zinc/91/90/80/1068919080.db2.gz VHWYBBLBXBGUTP-LJQANCHMSA-N 1 1 394.431 3.793 20 5 GHBDMO COC[C@H](C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC001460578037 1069005521 /nfs/dbraw/zinc/00/55/21/1069005521.db2.gz PEHGNRZDVULBQE-HRAATJIYSA-N 1 1 397.475 3.948 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001460781588 1069174931 /nfs/dbraw/zinc/17/49/31/1069174931.db2.gz QULVIMKXAVNVJE-IAGOWNOFSA-N 1 1 397.372 3.886 20 5 GHBDMO Cc1c(CNC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC001478429586 1078865451 /nfs/dbraw/zinc/86/54/51/1078865451.db2.gz NAZGGRNXEHJRII-FQEVSTJZSA-N 1 1 398.507 3.859 20 5 GHBDMO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@]12CCC[C@H]1OCC2 ZINC001460969688 1069303609 /nfs/dbraw/zinc/30/36/09/1069303609.db2.gz CMKFDUUKNCMCSR-CRAIPNDOSA-N 1 1 392.843 3.689 20 5 GHBDMO C[C@@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001471322716 1073018310 /nfs/dbraw/zinc/01/83/10/1073018310.db2.gz WAYKZHPIZMVPTK-DYESRHJHSA-N 1 1 396.491 3.962 20 5 GHBDMO C[N@@H+](CCC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1CCCCC1 ZINC001471576007 1073144116 /nfs/dbraw/zinc/14/41/16/1073144116.db2.gz SQUFNQHPVPCQQN-UHFFFAOYSA-N 1 1 398.301 3.628 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001471826633 1073228217 /nfs/dbraw/zinc/22/82/17/1073228217.db2.gz QAMXMJUNOLUMNF-CABCVRRESA-N 1 1 377.510 3.551 20 5 GHBDMO Cc1cncnc1N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC001472658736 1073601303 /nfs/dbraw/zinc/60/13/03/1073601303.db2.gz BGUFGIMQUZNRQL-UHFFFAOYSA-N 1 1 395.488 3.744 20 5 GHBDMO CN1CC[NH+](Cc2cccc(CNc3ccc([N+](=O)[O-])cc3C(F)F)c2)CC1 ZINC001472684184 1073617460 /nfs/dbraw/zinc/61/74/60/1073617460.db2.gz YWSLRLPFWOPKEF-UHFFFAOYSA-N 1 1 390.434 3.892 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC001472834192 1073687011 /nfs/dbraw/zinc/68/70/11/1073687011.db2.gz SVVPUEHAXWDBQN-MRXNPFEDSA-N 1 1 378.432 3.838 20 5 GHBDMO O=[N+]([O-])c1cnc2cc(Br)ccc2c1Nc1ccc2[nH+]ccn2c1 ZINC001472838506 1073688460 /nfs/dbraw/zinc/68/84/60/1073688460.db2.gz XAUMUHCTSBREQE-UHFFFAOYSA-N 1 1 384.193 3.719 20 5 GHBDMO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473197790 1073849622 /nfs/dbraw/zinc/84/96/22/1073849622.db2.gz BHEUSHHOXACAHF-XOBRGWDASA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473197790 1073849628 /nfs/dbraw/zinc/84/96/28/1073849628.db2.gz BHEUSHHOXACAHF-XOBRGWDASA-N 1 1 383.423 3.706 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC001473290027 1073908801 /nfs/dbraw/zinc/90/88/01/1073908801.db2.gz SZAUFNNQKJNENU-ARFHVFGLSA-N 1 1 379.501 3.553 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)CC2(O)CCCC2)cc1OC ZINC001473299270 1073911268 /nfs/dbraw/zinc/91/12/68/1073911268.db2.gz HQVBQFUBUPRMMY-OAHLLOKOSA-N 1 1 380.485 3.765 20 5 GHBDMO CC[C@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001473365257 1073936513 /nfs/dbraw/zinc/93/65/13/1073936513.db2.gz ARMLJDNPCFCMDJ-SFHVURJKSA-N 1 1 387.455 3.839 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H]3CN(c4ccccc4)CCO3)C2)cc1 ZINC001473486955 1073985789 /nfs/dbraw/zinc/98/57/89/1073985789.db2.gz VRVDDIKFHYSOMB-UGKGYDQZSA-N 1 1 381.476 3.680 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001473641752 1074063696 /nfs/dbraw/zinc/06/36/96/1074063696.db2.gz VBJZLTXASVAIHK-BQTBQCLESA-N 1 1 375.469 3.953 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC3(CCSCC3)CC2)cccc1[N+](=O)[O-] ZINC001473694562 1074091772 /nfs/dbraw/zinc/09/17/72/1074091772.db2.gz MTLQKCPANYXSQV-OAHLLOKOSA-N 1 1 377.510 3.839 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001473720688 1074106357 /nfs/dbraw/zinc/10/63/57/1074106357.db2.gz AJFUBPJFRRZBLZ-CABCVRRESA-N 1 1 393.447 3.678 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001473741684 1074118827 /nfs/dbraw/zinc/11/88/27/1074118827.db2.gz LKLKKGGKASGBCV-HOCLYGCPSA-N 1 1 375.469 3.833 20 5 GHBDMO Cc1c(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001473839603 1074168744 /nfs/dbraw/zinc/16/87/44/1074168744.db2.gz FMYSZUFNSINKTP-SFHVURJKSA-N 1 1 387.867 3.951 20 5 GHBDMO Cc1c(C[N@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001473839603 1074168749 /nfs/dbraw/zinc/16/87/49/1074168749.db2.gz FMYSZUFNSINKTP-SFHVURJKSA-N 1 1 387.867 3.951 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001474368058 1074366501 /nfs/dbraw/zinc/36/65/01/1074366501.db2.gz GCYFFBDXKWSJCF-QGZVFWFLSA-N 1 1 386.427 3.747 20 5 GHBDMO CC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[N@H+]1CCc2ccccc2C1 ZINC001476341811 1075129711 /nfs/dbraw/zinc/12/97/11/1075129711.db2.gz AGEJEBIFIGBUDV-IBGZPJMESA-N 1 1 382.464 3.862 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825961788 608524186 /nfs/dbraw/zinc/52/41/86/608524186.db2.gz MNWORNPXLAMFFV-UHFFFAOYSA-N 1 1 390.403 3.667 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164625187 719075114 /nfs/dbraw/zinc/07/51/14/719075114.db2.gz MYOYHHCHVFRCPO-UWJYYQICSA-N 1 1 389.459 3.639 20 5 GHBDMO Cc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1[N+](=O)[O-] ZINC001164840939 720661611 /nfs/dbraw/zinc/66/16/11/720661611.db2.gz OCQZDPKTYNBDNF-IBGZPJMESA-N 1 1 396.491 3.558 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000613229131 837417581 /nfs/dbraw/zinc/41/75/81/837417581.db2.gz XIXOBNGLZOOMAQ-SFHVURJKSA-N 1 1 392.459 3.974 20 5 GHBDMO Cc1c(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000580909254 837425467 /nfs/dbraw/zinc/42/54/67/837425467.db2.gz OWMMILOMOYGMPW-JOCHJYFZSA-N 1 1 379.460 3.641 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176581631 837682914 /nfs/dbraw/zinc/68/29/14/837682914.db2.gz KOSHPAYDKKJLGT-HKUYNNGSSA-N 1 1 396.491 3.566 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176580395 837683057 /nfs/dbraw/zinc/68/30/57/837683057.db2.gz PTNGSUZHHQUTBG-IEBWSBKVSA-N 1 1 397.475 3.533 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)c2ccncc21 ZINC000052429132 834631208 /nfs/dbraw/zinc/63/12/08/834631208.db2.gz LESBHSDBJVOEGU-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000186894075 834743413 /nfs/dbraw/zinc/74/34/13/834743413.db2.gz ZHZMRYLSIRDROH-UHFFFAOYSA-N 1 1 395.818 3.859 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(CCCn4ccnc4)CC3)n2)cc1 ZINC000542132690 837810273 /nfs/dbraw/zinc/81/02/73/837810273.db2.gz JFTQVANEXLHTJV-UHFFFAOYSA-N 1 1 396.451 3.534 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000430202318 835040111 /nfs/dbraw/zinc/04/01/11/835040111.db2.gz CBZIZXLLYGBRRU-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000430202318 835040119 /nfs/dbraw/zinc/04/01/19/835040119.db2.gz CBZIZXLLYGBRRU-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000611935126 835078504 /nfs/dbraw/zinc/07/85/04/835078504.db2.gz KXNRUQNSJYKDID-NRFANRHFSA-N 1 1 396.491 3.659 20 5 GHBDMO C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583855944 835159403 /nfs/dbraw/zinc/15/94/03/835159403.db2.gz XYOKHFQLBNFMTJ-QZTJIDSGSA-N 1 1 381.476 3.679 20 5 GHBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000126934229 835262881 /nfs/dbraw/zinc/26/28/81/835262881.db2.gz XFPQDDMUPUNOKF-AUUYWEPGSA-N 1 1 387.411 3.525 20 5 GHBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000126934229 835262888 /nfs/dbraw/zinc/26/28/88/835262888.db2.gz XFPQDDMUPUNOKF-AUUYWEPGSA-N 1 1 387.411 3.525 20 5 GHBDMO C[C@@H](c1cccc(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000278622532 835567213 /nfs/dbraw/zinc/56/72/13/835567213.db2.gz GBSFCRDANLJRME-AWEZNQCLSA-N 1 1 386.408 3.508 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612132293 835588560 /nfs/dbraw/zinc/58/85/60/835588560.db2.gz JINCRDPJCDFVSU-HMXCVIKNSA-N 1 1 393.487 3.934 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1)C1CC1 ZINC000513000335 844093863 /nfs/dbraw/zinc/09/38/63/844093863.db2.gz YGVKDKSMNCCECT-UHFFFAOYSA-N 1 1 381.476 3.894 20 5 GHBDMO Cc1c(CC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000510137399 835846470 /nfs/dbraw/zinc/84/64/70/835846470.db2.gz ZOYDXUWNBOANEF-YLJYHZDGSA-N 1 1 395.503 3.863 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134721665 835914185 /nfs/dbraw/zinc/91/41/85/835914185.db2.gz NGWMHNCJLWXKRF-CYBMUJFWSA-N 1 1 393.896 3.952 20 5 GHBDMO COc1ccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510145196 835946242 /nfs/dbraw/zinc/94/62/42/835946242.db2.gz JARUAIGZQOSRNU-SJLPKXTDSA-N 1 1 397.475 3.634 20 5 GHBDMO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000549686548 844115048 /nfs/dbraw/zinc/11/50/48/844115048.db2.gz HQZSAMDCQVCTAL-MGPUTAFESA-N 1 1 385.439 3.570 20 5 GHBDMO COC(=O)c1ccnc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1[N+](=O)[O-] ZINC000598590678 836049466 /nfs/dbraw/zinc/04/94/66/836049466.db2.gz VJQXAVFJVHEMPV-UHFFFAOYSA-N 1 1 381.392 3.596 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCS[C@@H](c4ccccc4)C3)o2)cc1 ZINC000364567181 836057780 /nfs/dbraw/zinc/05/77/80/836057780.db2.gz YLSHEZWJBHHEFN-QGZVFWFLSA-N 1 1 382.445 3.935 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCS[C@@H](c4ccccc4)C3)o2)cc1 ZINC000364567181 836057785 /nfs/dbraw/zinc/05/77/85/836057785.db2.gz YLSHEZWJBHHEFN-QGZVFWFLSA-N 1 1 382.445 3.935 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609730015 836059927 /nfs/dbraw/zinc/05/99/27/836059927.db2.gz JXGUQISBLBVPLH-HNNXBMFYSA-N 1 1 397.903 3.788 20 5 GHBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000411525662 836199567 /nfs/dbraw/zinc/19/95/67/836199567.db2.gz KSUNFKNLILYXEL-LEWJYISDSA-N 1 1 385.508 3.813 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380429095 844139014 /nfs/dbraw/zinc/13/90/14/844139014.db2.gz ZMNHCACIQGVZJC-CQSZACIVSA-N 1 1 380.370 3.943 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000173693518 836251614 /nfs/dbraw/zinc/25/16/14/836251614.db2.gz LAYLCXKEYVNKHE-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000173693518 836251619 /nfs/dbraw/zinc/25/16/19/836251619.db2.gz LAYLCXKEYVNKHE-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3c4ccccc4CC34CCOCC4)nc2c1 ZINC000290184937 836255745 /nfs/dbraw/zinc/25/57/45/836255745.db2.gz RHGVGFNEFDYZFV-FQEVSTJZSA-N 1 1 379.416 3.920 20 5 GHBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)ccc1F ZINC000472439627 836380592 /nfs/dbraw/zinc/38/05/92/836380592.db2.gz UQEDYQKOTFMFTG-UHFFFAOYSA-N 1 1 385.237 3.604 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000411941752 836442471 /nfs/dbraw/zinc/44/24/71/836442471.db2.gz LVCZTTDVDUWZIJ-LSDHHAIUSA-N 1 1 394.374 3.513 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000411941752 836442480 /nfs/dbraw/zinc/44/24/80/836442480.db2.gz LVCZTTDVDUWZIJ-LSDHHAIUSA-N 1 1 394.374 3.513 20 5 GHBDMO COc1cc(C[N@@H+](C)CCc2cccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180204815 836666631 /nfs/dbraw/zinc/66/66/31/836666631.db2.gz TVLYBZCXHQOERE-UHFFFAOYSA-N 1 1 386.420 3.983 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000609455093 836706803 /nfs/dbraw/zinc/70/68/03/836706803.db2.gz BYNOZCZOPSJJNZ-UHFFFAOYSA-N 1 1 385.464 3.634 20 5 GHBDMO CNC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180248218 836856693 /nfs/dbraw/zinc/85/66/93/836856693.db2.gz LIZOHKPCMIWGHF-OAQYLSRUSA-N 1 1 375.428 3.834 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000180255119 836880362 /nfs/dbraw/zinc/88/03/62/836880362.db2.gz DQWXJVJBNSCYRV-RHSMWYFYSA-N 1 1 377.510 3.652 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000549748215 844214759 /nfs/dbraw/zinc/21/47/59/844214759.db2.gz WUXKXJSDTKYRKN-UHFFFAOYSA-N 1 1 385.411 3.993 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000579989443 837182773 /nfs/dbraw/zinc/18/27/73/837182773.db2.gz QLJBIRRSZWXFJJ-JOCHJYFZSA-N 1 1 379.460 3.641 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000180504103 837320453 /nfs/dbraw/zinc/32/04/53/837320453.db2.gz XUOMWRURGGJGGH-CYBMUJFWSA-N 1 1 396.394 3.882 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000180504103 837320464 /nfs/dbraw/zinc/32/04/64/837320464.db2.gz XUOMWRURGGJGGH-CYBMUJFWSA-N 1 1 396.394 3.882 20 5 GHBDMO CC(C)(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000110204898 837915898 /nfs/dbraw/zinc/91/58/98/837915898.db2.gz LYJCXIVCICNEKV-UHFFFAOYSA-N 1 1 387.867 3.815 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000549339586 838012794 /nfs/dbraw/zinc/01/27/94/838012794.db2.gz ODQMPLSLYBNCJA-UHFFFAOYSA-N 1 1 385.464 3.764 20 5 GHBDMO O=C(NCC[NH+]1CCCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275622252 838052778 /nfs/dbraw/zinc/05/27/78/838052778.db2.gz HNAOERZOMQRSTA-UHFFFAOYSA-N 1 1 385.414 3.588 20 5 GHBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275628284 838079362 /nfs/dbraw/zinc/07/93/62/838079362.db2.gz JFJHUUHWNVIUCU-CWTRNNRKSA-N 1 1 399.441 3.830 20 5 GHBDMO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccsc1 ZINC000189667917 838355837 /nfs/dbraw/zinc/35/58/37/838355837.db2.gz GAUGDVGXPKYJLJ-INIZCTEOSA-N 1 1 397.522 3.555 20 5 GHBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000187992240 838463765 /nfs/dbraw/zinc/46/37/65/838463765.db2.gz ZSGADDUCVKSBMG-NRFANRHFSA-N 1 1 394.475 3.685 20 5 GHBDMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000118866271 838735317 /nfs/dbraw/zinc/73/53/17/838735317.db2.gz PGKOPDIBNQTOLO-QGZVFWFLSA-N 1 1 382.464 3.804 20 5 GHBDMO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000541268794 838806293 /nfs/dbraw/zinc/80/62/93/838806293.db2.gz CMVIRCUAYXYSTL-MRXNPFEDSA-N 1 1 389.477 3.623 20 5 GHBDMO CCCCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000104673914 838849178 /nfs/dbraw/zinc/84/91/78/838849178.db2.gz HTENMTZENKFLLS-UHFFFAOYSA-N 1 1 391.512 3.900 20 5 GHBDMO CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000121179670 838998311 /nfs/dbraw/zinc/99/83/11/838998311.db2.gz VDJXXWHBDJVLFC-IEBWSBKVSA-N 1 1 395.459 3.750 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001167367478 839046793 /nfs/dbraw/zinc/04/67/93/839046793.db2.gz KKDBONGNOKOYML-RBBKRZOGSA-N 1 1 379.460 3.754 20 5 GHBDMO C[N@@H+](CCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000431868759 839120177 /nfs/dbraw/zinc/12/01/77/839120177.db2.gz HLNSOKIPQFRJGZ-UHFFFAOYSA-N 1 1 384.480 3.651 20 5 GHBDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134222633 839435600 /nfs/dbraw/zinc/43/56/00/839435600.db2.gz VIYBYEOITOMBQC-XIKOKIGWSA-N 1 1 389.839 3.511 20 5 GHBDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134222633 839435607 /nfs/dbraw/zinc/43/56/07/839435607.db2.gz VIYBYEOITOMBQC-XIKOKIGWSA-N 1 1 389.839 3.511 20 5 GHBDMO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000511522911 839472904 /nfs/dbraw/zinc/47/29/04/839472904.db2.gz NRRNYYYZBWCVAO-UHFFFAOYSA-N 1 1 389.427 3.826 20 5 GHBDMO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000511522911 839472909 /nfs/dbraw/zinc/47/29/09/839472909.db2.gz NRRNYYYZBWCVAO-UHFFFAOYSA-N 1 1 389.427 3.826 20 5 GHBDMO CC[N@@H+](CCC1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1)CC(C)C ZINC000536893349 839588978 /nfs/dbraw/zinc/58/89/78/839588978.db2.gz NAUMYSSJPHUOIA-UHFFFAOYSA-N 1 1 390.528 3.539 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000134318745 840205473 /nfs/dbraw/zinc/20/54/73/840205473.db2.gz IASRBMBFABAYJO-UHFFFAOYSA-N 1 1 397.475 3.649 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000177859658 840410862 /nfs/dbraw/zinc/41/08/62/840410862.db2.gz SJEHPNHDHRSRLU-QGZVFWFLSA-N 1 1 388.512 3.781 20 5 GHBDMO COc1cc2c(c(OC)c1OC)CC[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000432035535 840561855 /nfs/dbraw/zinc/56/18/55/840561855.db2.gz VHVQWDIKXXBNKG-CQSZACIVSA-N 1 1 386.448 3.782 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000053232746 840569244 /nfs/dbraw/zinc/56/92/44/840569244.db2.gz VTXUTPJZGKCLDT-LBPRGKRZSA-N 1 1 377.828 3.888 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000053232746 840569253 /nfs/dbraw/zinc/56/92/53/840569253.db2.gz VTXUTPJZGKCLDT-LBPRGKRZSA-N 1 1 377.828 3.888 20 5 GHBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc([N+](=O)[O-])c1 ZINC000511767336 840682409 /nfs/dbraw/zinc/68/24/09/840682409.db2.gz CVQASWASVNJGND-FQEVSTJZSA-N 1 1 381.476 3.934 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000544119130 840713004 /nfs/dbraw/zinc/71/30/04/840713004.db2.gz SALBQZXARIEXAP-QFBILLFUSA-N 1 1 388.439 3.743 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl ZINC000014628859 840782558 /nfs/dbraw/zinc/78/25/58/840782558.db2.gz LTNCQAKIAIGRFO-MRXNPFEDSA-N 1 1 382.247 3.934 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl ZINC000014628857 840782799 /nfs/dbraw/zinc/78/27/99/840782799.db2.gz LTNCQAKIAIGRFO-INIZCTEOSA-N 1 1 382.247 3.934 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000511800359 840793343 /nfs/dbraw/zinc/79/33/43/840793343.db2.gz AXNQJKFSRBIMCS-HXUWFJFHSA-N 1 1 397.475 3.634 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126418949 841053939 /nfs/dbraw/zinc/05/39/39/841053939.db2.gz JNDDUKZXWBPEJU-GJYPPUQNSA-N 1 1 382.464 3.618 20 5 GHBDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000106876457 841128079 /nfs/dbraw/zinc/12/80/79/841128079.db2.gz NIAFYPWMQCTCBR-ZDUSSCGKSA-N 1 1 376.482 3.998 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000121338617 841325605 /nfs/dbraw/zinc/32/56/05/841325605.db2.gz NCXFWABRYKKUGC-INIZCTEOSA-N 1 1 399.422 3.597 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](Nc3nc4sccn4c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000302076127 861198660 /nfs/dbraw/zinc/19/86/60/861198660.db2.gz WGZKNTQSNRRMOG-JKSUJKDBSA-N 1 1 399.476 3.703 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000549532321 841430341 /nfs/dbraw/zinc/43/03/41/841430341.db2.gz RHZLTTOBSDVXHT-LBPRGKRZSA-N 1 1 395.385 3.989 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000549532321 841430345 /nfs/dbraw/zinc/43/03/45/841430345.db2.gz RHZLTTOBSDVXHT-LBPRGKRZSA-N 1 1 395.385 3.989 20 5 GHBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H]1C ZINC000500111315 841464361 /nfs/dbraw/zinc/46/43/61/841464361.db2.gz IEWWBKLSOMRCLZ-SJORKVTESA-N 1 1 396.491 3.762 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500155729 841539645 /nfs/dbraw/zinc/53/96/45/841539645.db2.gz PAGGXDCIQZMLPT-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500155729 841539651 /nfs/dbraw/zinc/53/96/51/841539651.db2.gz PAGGXDCIQZMLPT-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500155729 841539660 /nfs/dbraw/zinc/53/96/60/841539660.db2.gz PAGGXDCIQZMLPT-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302129106 861212386 /nfs/dbraw/zinc/21/23/86/861212386.db2.gz BLDDMDHQYNWQNT-HOTGVXAUSA-N 1 1 379.823 3.813 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302129106 861212399 /nfs/dbraw/zinc/21/23/99/861212399.db2.gz BLDDMDHQYNWQNT-HOTGVXAUSA-N 1 1 379.823 3.813 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000126682121 841813342 /nfs/dbraw/zinc/81/33/42/841813342.db2.gz YXCHXDQTFCSNRQ-HXUWFJFHSA-N 1 1 395.503 3.816 20 5 GHBDMO C[N@H+](CCOc1cccc(Cl)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015049343 841823945 /nfs/dbraw/zinc/82/39/45/841823945.db2.gz OFTOBDRQSHLKNM-UHFFFAOYSA-N 1 1 378.812 3.626 20 5 GHBDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015049343 841823958 /nfs/dbraw/zinc/82/39/58/841823958.db2.gz OFTOBDRQSHLKNM-UHFFFAOYSA-N 1 1 378.812 3.626 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)C1 ZINC000477329190 842004030 /nfs/dbraw/zinc/00/40/30/842004030.db2.gz JBJJAUAQJXWSGE-MRXNPFEDSA-N 1 1 399.466 3.825 20 5 GHBDMO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000126742918 842015067 /nfs/dbraw/zinc/01/50/67/842015067.db2.gz SHXFWOPIMAEKIE-HOTGVXAUSA-N 1 1 386.471 3.898 20 5 GHBDMO CCNc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430638111 842017156 /nfs/dbraw/zinc/01/71/56/842017156.db2.gz MNZCWXZFWHJOFI-LPHOPBHVSA-N 1 1 396.491 3.810 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@@H]1C ZINC000585699785 842112115 /nfs/dbraw/zinc/11/21/15/842112115.db2.gz FEEVGLASLPHLSM-AAEUAGOBSA-N 1 1 398.301 3.611 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3c4c(ccc3[N+](=O)[O-])NCC4)cc2)C[C@H](C)O1 ZINC000302491375 861291750 /nfs/dbraw/zinc/29/17/50/861291750.db2.gz ZDSVRIUPHKWYND-IYBDPMFKSA-N 1 1 396.491 3.784 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000247375040 842305683 /nfs/dbraw/zinc/30/56/83/842305683.db2.gz LBQUKJOGLWTXAE-SJCJKPOMSA-N 1 1 377.441 3.608 20 5 GHBDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001126173251 842341344 /nfs/dbraw/zinc/34/13/44/842341344.db2.gz WGWVMSKBOQVKJU-TZIWHRDSSA-N 1 1 381.476 3.759 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](CCO)CC2CC2)cc1 ZINC000512055047 842354839 /nfs/dbraw/zinc/35/48/39/842354839.db2.gz BRSFEXTUBFTZPP-UHFFFAOYSA-N 1 1 392.459 3.652 20 5 GHBDMO C[C@@H]1C[N@@H+](CCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000432427726 842463339 /nfs/dbraw/zinc/46/33/39/842463339.db2.gz DSRSDQPROVRZGH-XMSQKQJNSA-N 1 1 383.492 3.775 20 5 GHBDMO COc1c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000474893954 861326596 /nfs/dbraw/zinc/32/65/96/861326596.db2.gz AIEFRSFYKQLCCN-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610944710 842639427 /nfs/dbraw/zinc/63/94/27/842639427.db2.gz MJHMLHLQCRHNFV-HXUWFJFHSA-N 1 1 395.459 3.720 20 5 GHBDMO COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610944710 842639431 /nfs/dbraw/zinc/63/94/31/842639431.db2.gz MJHMLHLQCRHNFV-HXUWFJFHSA-N 1 1 395.459 3.720 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC001266862249 842673673 /nfs/dbraw/zinc/67/36/73/842673673.db2.gz FSOORVBORBZULA-OAQYLSRUSA-N 1 1 381.476 3.617 20 5 GHBDMO COc1cc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000512192678 842949066 /nfs/dbraw/zinc/94/90/66/842949066.db2.gz BGEBHASICAAKHQ-IRXDYDNUSA-N 1 1 391.512 3.698 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000510624000 843075739 /nfs/dbraw/zinc/07/57/39/843075739.db2.gz FFZYNWOBOPCMIH-FQEVSTJZSA-N 1 1 381.476 3.698 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000510624000 843075750 /nfs/dbraw/zinc/07/57/50/843075750.db2.gz FFZYNWOBOPCMIH-FQEVSTJZSA-N 1 1 381.476 3.698 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CCO)c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000512213929 843110295 /nfs/dbraw/zinc/11/02/95/843110295.db2.gz QIWYLOUJEBEJMY-CQSZACIVSA-N 1 1 395.246 3.991 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@H]1c1ccccc1 ZINC000302838116 861382973 /nfs/dbraw/zinc/38/29/73/861382973.db2.gz YGOPWPFMJGRWQQ-PZJWPPBQSA-N 1 1 394.475 3.688 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)COCc1ccccc1 ZINC000511979445 843514130 /nfs/dbraw/zinc/51/41/30/843514130.db2.gz WKMTVURCJZECMX-FQEVSTJZSA-N 1 1 396.443 3.864 20 5 GHBDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000431170543 843758253 /nfs/dbraw/zinc/75/82/53/843758253.db2.gz CGRSMPINOCWXRF-UHFFFAOYSA-N 1 1 386.448 3.530 20 5 GHBDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](C(F)(F)F)C1 ZINC000509832941 843919828 /nfs/dbraw/zinc/91/98/28/843919828.db2.gz PQOPFASQHXTJAJ-CHWSQXEVSA-N 1 1 377.338 3.581 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433250126 843927652 /nfs/dbraw/zinc/92/76/52/843927652.db2.gz ZGTLCDFNXUMKPE-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)NCc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000509760609 843945821 /nfs/dbraw/zinc/94/58/21/843945821.db2.gz GOGAOAYBVGQEBF-HKUYNNGSSA-N 1 1 396.491 3.695 20 5 GHBDMO COc1cc(OCC(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)ccc1[N+](=O)[O-] ZINC000162178448 861479852 /nfs/dbraw/zinc/47/98/52/861479852.db2.gz ZAPCDJGVLYTOMO-UHFFFAOYSA-N 1 1 399.447 3.593 20 5 GHBDMO CSc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000614442894 844881948 /nfs/dbraw/zinc/88/19/48/844881948.db2.gz LMFAEKOJQXSNHA-UHFFFAOYSA-N 1 1 399.516 3.973 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000555659571 861513691 /nfs/dbraw/zinc/51/36/91/861513691.db2.gz XWFHMDJHLRPPAH-JOCHJYFZSA-N 1 1 387.439 3.841 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000555659571 861513699 /nfs/dbraw/zinc/51/36/99/861513699.db2.gz XWFHMDJHLRPPAH-JOCHJYFZSA-N 1 1 387.439 3.841 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000266062638 845005888 /nfs/dbraw/zinc/00/58/88/845005888.db2.gz VOTUKOQDZYFMIT-YQQQUEKLSA-N 1 1 379.460 3.829 20 5 GHBDMO COC[C@@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCc2ccccc21 ZINC000599683304 861521547 /nfs/dbraw/zinc/52/15/47/861521547.db2.gz QTMCROIEVCNEQL-VLIAUNLRSA-N 1 1 380.448 3.996 20 5 GHBDMO COC[C@@H](C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCc2ccccc21 ZINC000599683304 861521554 /nfs/dbraw/zinc/52/15/54/861521554.db2.gz QTMCROIEVCNEQL-VLIAUNLRSA-N 1 1 380.448 3.996 20 5 GHBDMO COC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599683238 861523612 /nfs/dbraw/zinc/52/36/12/861523612.db2.gz OMZCIKZTRDWEDB-KXBFYZLASA-N 1 1 383.448 3.558 20 5 GHBDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000513270320 845168186 /nfs/dbraw/zinc/16/81/86/845168186.db2.gz CPSLVVNHICPJRE-MAUKXSAKSA-N 1 1 381.432 3.976 20 5 GHBDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000513270322 845168210 /nfs/dbraw/zinc/16/82/10/845168210.db2.gz CPSLVVNHICPJRE-YJBOKZPZSA-N 1 1 381.432 3.976 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000509784285 845378552 /nfs/dbraw/zinc/37/85/52/845378552.db2.gz VOJYCEPBKNMSTF-SJORKVTESA-N 1 1 376.501 3.635 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000513413467 845405354 /nfs/dbraw/zinc/40/53/54/845405354.db2.gz JTGFPRYFCKCUSW-INIZCTEOSA-N 1 1 388.374 3.993 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000513413467 845405357 /nfs/dbraw/zinc/40/53/57/845405357.db2.gz JTGFPRYFCKCUSW-INIZCTEOSA-N 1 1 388.374 3.993 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)nc2c1 ZINC000614261547 845466197 /nfs/dbraw/zinc/46/61/97/845466197.db2.gz RSLZRRDLSXENPM-ZDUSSCGKSA-N 1 1 377.404 3.992 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)nc2c1 ZINC000614261547 845466209 /nfs/dbraw/zinc/46/62/09/845466209.db2.gz RSLZRRDLSXENPM-ZDUSSCGKSA-N 1 1 377.404 3.992 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000157603648 846017348 /nfs/dbraw/zinc/01/73/48/846017348.db2.gz ZYGRIPGSDXVNLC-KSSFIOAISA-N 1 1 387.386 3.630 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000072010073 846198300 /nfs/dbraw/zinc/19/83/00/846198300.db2.gz POSGLVWMOUZNHP-HDICACEKSA-N 1 1 395.503 3.932 20 5 GHBDMO CCC[C@@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000502593212 846230894 /nfs/dbraw/zinc/23/08/94/846230894.db2.gz BOSKHHKJAFGEED-GOSISDBHSA-N 1 1 380.441 3.768 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000502665582 846327911 /nfs/dbraw/zinc/32/79/11/846327911.db2.gz UMTDJWIXPNKKLV-UHFFFAOYSA-N 1 1 399.516 3.885 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000502665582 846327923 /nfs/dbraw/zinc/32/79/23/846327923.db2.gz UMTDJWIXPNKKLV-UHFFFAOYSA-N 1 1 399.516 3.885 20 5 GHBDMO CN(C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000511080798 846433220 /nfs/dbraw/zinc/43/32/20/846433220.db2.gz KLZMBDITLBMMQA-NRFANRHFSA-N 1 1 381.476 3.605 20 5 GHBDMO CN(C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000511080798 846433228 /nfs/dbraw/zinc/43/32/28/846433228.db2.gz KLZMBDITLBMMQA-NRFANRHFSA-N 1 1 381.476 3.605 20 5 GHBDMO CCS(=O)(=O)CC[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000236998361 846477101 /nfs/dbraw/zinc/47/71/01/846477101.db2.gz AFMLEYXBZAILMN-UHFFFAOYSA-N 1 1 394.518 3.579 20 5 GHBDMO CSc1ccc(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)cc1[N+](=O)[O-] ZINC000611582295 846631946 /nfs/dbraw/zinc/63/19/46/846631946.db2.gz XSWJTDGZUXVJKJ-UHFFFAOYSA-N 1 1 386.477 3.550 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000503080666 846784329 /nfs/dbraw/zinc/78/43/29/846784329.db2.gz YYLXCPVDLBFFKL-HXUWFJFHSA-N 1 1 375.432 3.731 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000503080665 846784650 /nfs/dbraw/zinc/78/46/50/846784650.db2.gz YYLXCPVDLBFFKL-FQEVSTJZSA-N 1 1 375.432 3.731 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000226529901 861734433 /nfs/dbraw/zinc/73/44/33/861734433.db2.gz XIVUFVIIFGWMJO-XHSDSOJGSA-N 1 1 379.526 3.560 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237070194 846948088 /nfs/dbraw/zinc/94/80/88/846948088.db2.gz YCMCALCGBKQKMK-KRWDZBQOSA-N 1 1 399.539 3.986 20 5 GHBDMO CC[C@H]1CCCN(C(C)(C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237070194 846948095 /nfs/dbraw/zinc/94/80/95/846948095.db2.gz YCMCALCGBKQKMK-KRWDZBQOSA-N 1 1 399.539 3.986 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000511104873 846980437 /nfs/dbraw/zinc/98/04/37/846980437.db2.gz GWULMRGTTAGBAI-UHFFFAOYSA-N 1 1 376.460 3.944 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000511104873 846980448 /nfs/dbraw/zinc/98/04/48/846980448.db2.gz GWULMRGTTAGBAI-UHFFFAOYSA-N 1 1 376.460 3.944 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000183275001 847025770 /nfs/dbraw/zinc/02/57/70/847025770.db2.gz KTKGYEUBMIORGN-PZJWPPBQSA-N 1 1 395.459 3.620 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])Cc1nc2ccc(Br)cc2[nH]1 ZINC000511122210 847211802 /nfs/dbraw/zinc/21/18/02/847211802.db2.gz HYLOVGXXYSRNLT-UHFFFAOYSA-N 1 1 389.253 3.908 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2cc(Br)ccc2[nH]1 ZINC000511122210 847211814 /nfs/dbraw/zinc/21/18/14/847211814.db2.gz HYLOVGXXYSRNLT-UHFFFAOYSA-N 1 1 389.253 3.908 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2cc(Br)ccc2[nH]1 ZINC000511122210 847211824 /nfs/dbraw/zinc/21/18/24/847211824.db2.gz HYLOVGXXYSRNLT-UHFFFAOYSA-N 1 1 389.253 3.908 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000511145088 847457499 /nfs/dbraw/zinc/45/74/99/847457499.db2.gz VFQGEJVPAIFPIX-QGZVFWFLSA-N 1 1 396.491 3.669 20 5 GHBDMO C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000604122217 861807177 /nfs/dbraw/zinc/80/71/77/861807177.db2.gz CULUYRQIFBXUCW-UGSOOPFHSA-N 1 1 390.871 3.911 20 5 GHBDMO CC[N@H+](CCOc1ccccc1C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000420971158 847598056 /nfs/dbraw/zinc/59/80/56/847598056.db2.gz HOQRQHKSFYBSMJ-UHFFFAOYSA-N 1 1 382.420 3.854 20 5 GHBDMO CC[N@@H+](CCOc1ccccc1C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000420971158 847598061 /nfs/dbraw/zinc/59/80/61/847598061.db2.gz HOQRQHKSFYBSMJ-UHFFFAOYSA-N 1 1 382.420 3.854 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604127065 861856823 /nfs/dbraw/zinc/85/68/23/861856823.db2.gz HISHNACAKGJMLG-SFHVURJKSA-N 1 1 396.491 3.882 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000612438336 848607671 /nfs/dbraw/zinc/60/76/71/848607671.db2.gz PINLVCIWCOMOAA-UHFFFAOYSA-N 1 1 377.448 3.559 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000612556720 848670541 /nfs/dbraw/zinc/67/05/41/848670541.db2.gz RJJJCZGDVPHGEY-CQSZACIVSA-N 1 1 379.338 3.530 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000612556720 848670546 /nfs/dbraw/zinc/67/05/46/848670546.db2.gz RJJJCZGDVPHGEY-CQSZACIVSA-N 1 1 379.338 3.530 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247915468 848912536 /nfs/dbraw/zinc/91/25/36/848912536.db2.gz AWSQIWZLADZYGC-SFTDATJTSA-N 1 1 396.491 3.960 20 5 GHBDMO COc1cc(C[NH+]2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000162463448 849070929 /nfs/dbraw/zinc/07/09/29/849070929.db2.gz BFAZLNYQLBBMAT-UHFFFAOYSA-N 1 1 388.411 3.984 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000434901727 849884574 /nfs/dbraw/zinc/88/45/74/849884574.db2.gz YOFJSIJZMWZZQH-QAPCUYQASA-N 1 1 383.448 3.810 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132458312 862082286 /nfs/dbraw/zinc/08/22/86/862082286.db2.gz QUBLENXNJQOKBY-UWJYYQICSA-N 1 1 397.450 3.861 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000132464625 862085996 /nfs/dbraw/zinc/08/59/96/862085996.db2.gz CWEUFONKXPEAAI-WBVHZDCISA-N 1 1 385.439 3.859 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000518782759 850090763 /nfs/dbraw/zinc/09/07/63/850090763.db2.gz KZHURXFQEVGRIW-JKIFEVAISA-N 1 1 377.510 3.509 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000505632772 850230290 /nfs/dbraw/zinc/23/02/90/850230290.db2.gz KDMOIRYHTNAFNQ-IBGZPJMESA-N 1 1 377.510 3.655 20 5 GHBDMO CC(C)c1ccc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000473606957 850375609 /nfs/dbraw/zinc/37/56/09/850375609.db2.gz IQTKVVBWPXIBMD-UHFFFAOYSA-N 1 1 397.475 3.845 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000246320564 850493524 /nfs/dbraw/zinc/49/35/24/850493524.db2.gz GWHIJJUXOVUVSP-IRXDYDNUSA-N 1 1 399.495 3.731 20 5 GHBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C2)C1 ZINC000569722064 850505745 /nfs/dbraw/zinc/50/57/45/850505745.db2.gz WIZRLAFCEYGFNL-OAQYLSRUSA-N 1 1 381.432 3.555 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000439900886 850571331 /nfs/dbraw/zinc/57/13/31/850571331.db2.gz MPHLZLKLOFOLKU-SFHVURJKSA-N 1 1 398.463 3.732 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437995177 850854044 /nfs/dbraw/zinc/85/40/44/850854044.db2.gz CEHGTTVJDDYWCL-IXDOHACOSA-N 1 1 388.512 3.635 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000543506614 862190014 /nfs/dbraw/zinc/19/00/14/862190014.db2.gz ZMJGOQHBBOAYOH-NSHDSACASA-N 1 1 384.383 3.833 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000604472272 862214056 /nfs/dbraw/zinc/21/40/56/862214056.db2.gz MGQYXGODISLTJU-INIZCTEOSA-N 1 1 387.867 3.890 20 5 GHBDMO CCNC(=O)C[NH2+]Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000604477426 862219085 /nfs/dbraw/zinc/21/90/85/862219085.db2.gz VGYVROUACSOXPG-UHFFFAOYSA-N 1 1 385.464 3.910 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000488443811 851492392 /nfs/dbraw/zinc/49/23/92/851492392.db2.gz VPJSESDNRVQUHR-VNHYZAJKSA-N 1 1 397.422 3.674 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000488480548 851551062 /nfs/dbraw/zinc/55/10/62/851551062.db2.gz CWUMLEQYUXKHLP-LIRRHRJNSA-N 1 1 387.867 3.889 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000488485953 851557259 /nfs/dbraw/zinc/55/72/59/851557259.db2.gz WLUPXXKOZUDCQH-QRWLVFNGSA-N 1 1 392.459 3.717 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000488532384 851589479 /nfs/dbraw/zinc/58/94/79/851589479.db2.gz NGIHMPCNWJBLKK-YJBOKZPZSA-N 1 1 392.459 3.717 20 5 GHBDMO CCN1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434746547 851614625 /nfs/dbraw/zinc/61/46/25/851614625.db2.gz NSPUUCLOBSVSQO-XGHQBKJUSA-N 1 1 385.512 3.794 20 5 GHBDMO CC[N@@H+]1CCC[C@@H](CN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434746547 851614632 /nfs/dbraw/zinc/61/46/32/851614632.db2.gz NSPUUCLOBSVSQO-XGHQBKJUSA-N 1 1 385.512 3.794 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434746547 851614639 /nfs/dbraw/zinc/61/46/39/851614639.db2.gz NSPUUCLOBSVSQO-XGHQBKJUSA-N 1 1 385.512 3.794 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000434748893 851618049 /nfs/dbraw/zinc/61/80/49/851618049.db2.gz TXMGWDBERIAFPJ-NRFANRHFSA-N 1 1 383.448 3.514 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@](C)(c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000434748893 851618055 /nfs/dbraw/zinc/61/80/55/851618055.db2.gz TXMGWDBERIAFPJ-NRFANRHFSA-N 1 1 383.448 3.514 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000763982987 862278471 /nfs/dbraw/zinc/27/84/71/862278471.db2.gz IWHQQNQQGUDHNP-UHFFFAOYSA-N 1 1 397.460 3.526 20 5 GHBDMO CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425967928 852174832 /nfs/dbraw/zinc/17/48/32/852174832.db2.gz QNBWVEDJUXJUPE-UHFFFAOYSA-N 1 1 385.512 3.586 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425967928 852174835 /nfs/dbraw/zinc/17/48/35/852174835.db2.gz QNBWVEDJUXJUPE-UHFFFAOYSA-N 1 1 385.512 3.586 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425967928 852174839 /nfs/dbraw/zinc/17/48/39/852174839.db2.gz QNBWVEDJUXJUPE-UHFFFAOYSA-N 1 1 385.512 3.586 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000150801949 852406887 /nfs/dbraw/zinc/40/68/87/852406887.db2.gz MCKIIUXIODKGAQ-KGLIPLIRSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000150801949 852406895 /nfs/dbraw/zinc/40/68/95/852406895.db2.gz MCKIIUXIODKGAQ-KGLIPLIRSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000505905919 852548157 /nfs/dbraw/zinc/54/81/57/852548157.db2.gz JSRSTNVNKOHRTI-HZPDHXFCSA-N 1 1 384.480 3.803 20 5 GHBDMO COCCO[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000438548427 852560389 /nfs/dbraw/zinc/56/03/89/852560389.db2.gz ANFFCVASBJXDJU-GOSISDBHSA-N 1 1 390.411 3.764 20 5 GHBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000438548427 852560397 /nfs/dbraw/zinc/56/03/97/852560397.db2.gz ANFFCVASBJXDJU-GOSISDBHSA-N 1 1 390.411 3.764 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000505941331 852639439 /nfs/dbraw/zinc/63/94/39/852639439.db2.gz NSADYCGVPPSWIY-CABCVRRESA-N 1 1 379.888 3.975 20 5 GHBDMO C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000490003626 852699763 /nfs/dbraw/zinc/69/97/63/852699763.db2.gz NFRWTKKOVCXDMA-JKSUJKDBSA-N 1 1 388.512 3.782 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437192531 852850547 /nfs/dbraw/zinc/85/05/47/852850547.db2.gz DRDVBVHOYCNZAQ-CYBMUJFWSA-N 1 1 387.402 3.856 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000507483851 852965419 /nfs/dbraw/zinc/96/54/19/852965419.db2.gz YBURLMSHSZVTNX-GASCZTMLSA-N 1 1 388.512 3.655 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000120852172 852983401 /nfs/dbraw/zinc/98/34/01/852983401.db2.gz SSYMNTXIJIBOHF-KSSFIOAISA-N 1 1 389.477 3.755 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000120852172 852983405 /nfs/dbraw/zinc/98/34/05/852983405.db2.gz SSYMNTXIJIBOHF-KSSFIOAISA-N 1 1 389.477 3.755 20 5 GHBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000414959817 852984799 /nfs/dbraw/zinc/98/47/99/852984799.db2.gz UFDPRXPHKQBYGQ-HSALFYBXSA-N 1 1 377.444 3.710 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CN(C)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000509592707 853026662 /nfs/dbraw/zinc/02/66/62/853026662.db2.gz NKGASZRGBCFHFX-IFXJQAMLSA-N 1 1 391.903 3.891 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000507578329 853049952 /nfs/dbraw/zinc/04/99/52/853049952.db2.gz DZHLGRSJYKQBRQ-DOTOQJQBSA-N 1 1 385.489 3.639 20 5 GHBDMO COc1ccc(CN[C@@H]2CC[NH2+]CC2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414967822 853086954 /nfs/dbraw/zinc/08/69/54/853086954.db2.gz HPQHDRICEHSFNZ-OAQYLSRUSA-N 1 1 399.491 3.660 20 5 GHBDMO COc1cc(C[N@H+](C)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000506437919 853088563 /nfs/dbraw/zinc/08/85/63/853088563.db2.gz FNHFKLPEBUJJFQ-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000506437919 853088569 /nfs/dbraw/zinc/08/85/69/853088569.db2.gz FNHFKLPEBUJJFQ-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000544263089 853130236 /nfs/dbraw/zinc/13/02/36/853130236.db2.gz ZTGMFJRGSZDFOY-UHFFFAOYSA-N 1 1 397.262 3.624 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c2ccncc21 ZINC000029525965 853178068 /nfs/dbraw/zinc/17/80/68/853178068.db2.gz OCOQOXYWBRZPRE-OAQYLSRUSA-N 1 1 378.432 3.628 20 5 GHBDMO Cc1c(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cccc1[N+](=O)[O-] ZINC000052829917 853285537 /nfs/dbraw/zinc/28/55/37/853285537.db2.gz UHVYIWDOLYOAOV-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO COc1ccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1[N+](=O)[O-] ZINC000029636176 853318142 /nfs/dbraw/zinc/31/81/42/853318142.db2.gz KJOGNWHZZFKGGC-UHFFFAOYSA-N 1 1 390.465 3.688 20 5 GHBDMO CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000518424597 853331518 /nfs/dbraw/zinc/33/15/18/853331518.db2.gz FAWQLGFFVQTDST-SFHVURJKSA-N 1 1 380.448 3.647 20 5 GHBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000518475390 853391844 /nfs/dbraw/zinc/39/18/44/853391844.db2.gz SNSPUHDIBLOMGU-QZTJIDSGSA-N 1 1 397.258 3.871 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000491028038 853406135 /nfs/dbraw/zinc/40/61/35/853406135.db2.gz LZFIKBVBCMKYPW-LJQANCHMSA-N 1 1 381.476 3.887 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000163961326 853636534 /nfs/dbraw/zinc/63/65/34/853636534.db2.gz UWDXEAGOPRZLDG-YJBOKZPZSA-N 1 1 382.464 3.854 20 5 GHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000156527056 853840922 /nfs/dbraw/zinc/84/09/22/853840922.db2.gz IVAOWHOVWXZSSL-BLLLJJGKSA-N 1 1 378.860 3.729 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000571429507 853877368 /nfs/dbraw/zinc/87/73/68/853877368.db2.gz GJNMGGZLDSSXBE-RVKKMQEKSA-N 1 1 391.537 3.899 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@]3(CO)CCOc4ccccc43)o2)c1 ZINC000441345797 854137340 /nfs/dbraw/zinc/13/73/40/854137340.db2.gz HYLSFBZLRJFKEO-NRFANRHFSA-N 1 1 380.400 3.615 20 5 GHBDMO COc1c(O)ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000894912552 854206092 /nfs/dbraw/zinc/20/60/92/854206092.db2.gz GBWXOTISRXHDAO-HXUWFJFHSA-N 1 1 384.432 3.663 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000894912552 854206100 /nfs/dbraw/zinc/20/61/00/854206100.db2.gz GBWXOTISRXHDAO-HXUWFJFHSA-N 1 1 384.432 3.663 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1[N+](=O)[O-] ZINC000589197895 854743103 /nfs/dbraw/zinc/74/31/03/854743103.db2.gz ORQFQISHCJYICT-HNNXBMFYSA-N 1 1 381.354 3.970 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1[N+](=O)[O-] ZINC000589197898 854743250 /nfs/dbraw/zinc/74/32/50/854743250.db2.gz ORQFQISHCJYICT-OAHLLOKOSA-N 1 1 381.354 3.970 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000589278714 854780875 /nfs/dbraw/zinc/78/08/75/854780875.db2.gz MHRIBCQPYAOQOZ-NRFANRHFSA-N 1 1 392.415 3.615 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000589278714 854780889 /nfs/dbraw/zinc/78/08/89/854780889.db2.gz MHRIBCQPYAOQOZ-NRFANRHFSA-N 1 1 392.415 3.615 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000589373579 854813843 /nfs/dbraw/zinc/81/38/43/854813843.db2.gz IQAWODYYVFYFAI-QGZVFWFLSA-N 1 1 382.464 3.801 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000589496892 854909335 /nfs/dbraw/zinc/90/93/35/854909335.db2.gz WBPPBQALYKEQST-LJQANCHMSA-N 1 1 384.432 3.563 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000589496892 854909340 /nfs/dbraw/zinc/90/93/40/854909340.db2.gz WBPPBQALYKEQST-LJQANCHMSA-N 1 1 384.432 3.563 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000589499440 854911364 /nfs/dbraw/zinc/91/13/64/854911364.db2.gz QSTWWAHNXDYVNP-RXVVDRJESA-N 1 1 398.459 3.981 20 5 GHBDMO COc1ccc(Cl)cc1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000027739534 855044809 /nfs/dbraw/zinc/04/48/09/855044809.db2.gz RSNHRVWAFSDVES-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248400217 855079594 /nfs/dbraw/zinc/07/95/94/855079594.db2.gz XFDORLGMKDUMFT-RXVVDRJESA-N 1 1 381.476 3.679 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248400217 855079598 /nfs/dbraw/zinc/07/95/98/855079598.db2.gz XFDORLGMKDUMFT-RXVVDRJESA-N 1 1 381.476 3.679 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NCc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)c1C ZINC000589737168 855128967 /nfs/dbraw/zinc/12/89/67/855128967.db2.gz IWVXRHQNISDYMS-UHFFFAOYSA-N 1 1 380.404 3.781 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301505869 855187051 /nfs/dbraw/zinc/18/70/51/855187051.db2.gz CSHYTZKUIDXHDT-YOEHRIQHSA-N 1 1 393.447 3.566 20 5 GHBDMO COc1ccc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1OC(F)F ZINC000046061040 855466873 /nfs/dbraw/zinc/46/68/73/855466873.db2.gz JBXQYOIGOKLURA-UHFFFAOYSA-N 1 1 382.363 3.716 20 5 GHBDMO COC(=O)c1c(Cl)c(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000590583578 855499388 /nfs/dbraw/zinc/49/93/88/855499388.db2.gz ZGNJMPIMHPMVIJ-KBXCAEBGSA-N 1 1 389.839 3.892 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]([C@H](C)c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000573046275 855702066 /nfs/dbraw/zinc/70/20/66/855702066.db2.gz WOLHUXCAFCJSPF-OAHLLOKOSA-N 1 1 384.432 3.872 20 5 GHBDMO COCCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000542774326 855738378 /nfs/dbraw/zinc/73/83/78/855738378.db2.gz AVEXYTHDGMNGCV-QFIPXVFZSA-N 1 1 393.443 3.894 20 5 GHBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128280 855827606 /nfs/dbraw/zinc/82/76/06/855827606.db2.gz GUAZSCQOPNJNCY-GUTXKFCHSA-N 1 1 397.928 3.529 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000462503019 855950713 /nfs/dbraw/zinc/95/07/13/855950713.db2.gz QJDJWVUXAIGVHI-FXAWDEMLSA-N 1 1 383.492 3.800 20 5 GHBDMO CSc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000171355172 856102502 /nfs/dbraw/zinc/10/25/02/856102502.db2.gz YYBJTKSDYPRYQZ-KRWDZBQOSA-N 1 1 399.516 3.611 20 5 GHBDMO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485167046 856180135 /nfs/dbraw/zinc/18/01/35/856180135.db2.gz LFIQCSMCHQRVGW-CRAIPNDOSA-N 1 1 394.475 3.802 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007421224 856289733 /nfs/dbraw/zinc/28/97/33/856289733.db2.gz HRGWTOJVLLGYLB-LBPRGKRZSA-N 1 1 379.363 3.655 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007421224 856289742 /nfs/dbraw/zinc/28/97/42/856289742.db2.gz HRGWTOJVLLGYLB-LBPRGKRZSA-N 1 1 379.363 3.655 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)nc1 ZINC000172358617 856409937 /nfs/dbraw/zinc/40/99/37/856409937.db2.gz IQGPUZLBRIUPRJ-INIZCTEOSA-N 1 1 383.839 3.878 20 5 GHBDMO CCOc1ccc(-c2noc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000619785253 856423317 /nfs/dbraw/zinc/42/33/17/856423317.db2.gz UXRXDJGVZCBLCG-UHFFFAOYSA-N 1 1 382.420 3.718 20 5 GHBDMO CCOc1ccc(-c2noc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000619785253 856423328 /nfs/dbraw/zinc/42/33/28/856423328.db2.gz UXRXDJGVZCBLCG-UHFFFAOYSA-N 1 1 382.420 3.718 20 5 GHBDMO C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000301629175 856431021 /nfs/dbraw/zinc/43/10/21/856431021.db2.gz ATUFXHUSJPTKJI-SNVBAGLBSA-N 1 1 397.298 3.673 20 5 GHBDMO C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000301629175 856431024 /nfs/dbraw/zinc/43/10/24/856431024.db2.gz ATUFXHUSJPTKJI-SNVBAGLBSA-N 1 1 397.298 3.673 20 5 GHBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172837951 856631150 /nfs/dbraw/zinc/63/11/50/856631150.db2.gz ZFKPCJMBKMAGIH-OAHLLOKOSA-N 1 1 388.493 3.665 20 5 GHBDMO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132658 856677720 /nfs/dbraw/zinc/67/77/20/856677720.db2.gz MHESRIUZFBWBKH-TUUKDFBESA-N 1 1 398.503 3.865 20 5 GHBDMO C[C@@]1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001270925111 856751473 /nfs/dbraw/zinc/75/14/73/856751473.db2.gz HDOQCTNYJZXTTR-FQTAANOTSA-N 1 1 379.460 3.636 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(COC)CC2)cc1OC ZINC000542918296 856810757 /nfs/dbraw/zinc/81/07/57/856810757.db2.gz XPLACOQBELSDQJ-OAHLLOKOSA-N 1 1 380.485 3.887 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000542930500 856883424 /nfs/dbraw/zinc/88/34/24/856883424.db2.gz QMAWTQIPKYKTPM-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000542930500 856883435 /nfs/dbraw/zinc/88/34/35/856883435.db2.gz QMAWTQIPKYKTPM-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000245622748 857021999 /nfs/dbraw/zinc/02/19/99/857021999.db2.gz XHAYTEPUBKPEHN-VHKYSDTDSA-N 1 1 389.883 3.971 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000173970481 857188112 /nfs/dbraw/zinc/18/81/12/857188112.db2.gz WCNRNEUUWYFFDI-OAHLLOKOSA-N 1 1 387.402 3.526 20 5 GHBDMO COC(=O)COc1ccc(C[NH2+]C2(c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000592372562 857191840 /nfs/dbraw/zinc/19/18/40/857191840.db2.gz MIZAUMJJRAYYQJ-UHFFFAOYSA-N 1 1 390.823 3.579 20 5 GHBDMO CN(C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000429251149 857341429 /nfs/dbraw/zinc/34/14/29/857341429.db2.gz BRWFCWSLXWKNBQ-LJQANCHMSA-N 1 1 381.476 3.956 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593078841 857341718 /nfs/dbraw/zinc/34/17/18/857341718.db2.gz FBRIXAAPXBFZLS-SFHVURJKSA-N 1 1 399.466 3.647 20 5 GHBDMO CN(C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000429251146 857341941 /nfs/dbraw/zinc/34/19/41/857341941.db2.gz BRWFCWSLXWKNBQ-IBGZPJMESA-N 1 1 381.476 3.956 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000520900388 857388510 /nfs/dbraw/zinc/38/85/10/857388510.db2.gz QHQACJLBFCIMNQ-UHFFFAOYSA-N 1 1 382.464 3.727 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ncc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000301750323 857552088 /nfs/dbraw/zinc/55/20/88/857552088.db2.gz UIWYHAOJHKNPCI-OKILXGFUSA-N 1 1 390.871 3.865 20 5 GHBDMO C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486212873 857556744 /nfs/dbraw/zinc/55/67/44/857556744.db2.gz FQTJMVNJLPLTDD-QKLQHJQFSA-N 1 1 396.491 3.866 20 5 GHBDMO COc1ccc(Cl)cc1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000027739548 857637079 /nfs/dbraw/zinc/63/70/79/857637079.db2.gz FNIGQGUTJHBPTF-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312609123 857885852 /nfs/dbraw/zinc/88/58/52/857885852.db2.gz ZFPBMQMXUNIFSP-ZFWWWQNUSA-N 1 1 383.477 3.922 20 5 GHBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000486616230 857916828 /nfs/dbraw/zinc/91/68/28/857916828.db2.gz RPQYWXYPYRHNLQ-OAHLLOKOSA-N 1 1 379.526 3.805 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCCO)[C@H]3CCc4ccccc43)n2)cc1 ZINC000114193368 857935630 /nfs/dbraw/zinc/93/56/30/857935630.db2.gz CANLOOFRRPEGJG-IBGZPJMESA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCCO)[C@H]3CCc4ccccc43)n2)cc1 ZINC000114193368 857935639 /nfs/dbraw/zinc/93/56/39/857935639.db2.gz CANLOOFRRPEGJG-IBGZPJMESA-N 1 1 394.431 3.517 20 5 GHBDMO CN(C)c1[nH+]ccc2cc(NC(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)ccc21 ZINC001129229665 857939312 /nfs/dbraw/zinc/93/93/12/857939312.db2.gz FVUMKRJVAHZFKQ-MOPGFXCFSA-N 1 1 376.416 3.951 20 5 GHBDMO CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000027387770 857962946 /nfs/dbraw/zinc/96/29/46/857962946.db2.gz GPIDZHSTJIUXFB-UHFFFAOYSA-N 1 1 397.475 3.650 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](CCc2nccs2)C(C)C)cccc1[N+](=O)[O-] ZINC000159772669 862997774 /nfs/dbraw/zinc/99/77/74/862997774.db2.gz WDOKZXSUIYLVAU-UHFFFAOYSA-N 1 1 376.482 3.641 20 5 GHBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[N@@H+](C)C1CC1 ZINC000132327078 858218466 /nfs/dbraw/zinc/21/84/66/858218466.db2.gz KWKHTWZVNJSZDG-CYBMUJFWSA-N 1 1 377.510 3.842 20 5 GHBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)Cc1ccc(OC)cc1 ZINC000066885690 858335944 /nfs/dbraw/zinc/33/59/44/858335944.db2.gz HJXAMHWTFPVRBM-OAHLLOKOSA-N 1 1 386.448 3.923 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159794114 863013212 /nfs/dbraw/zinc/01/32/12/863013212.db2.gz LATGZEBHQMATJK-ZDUSSCGKSA-N 1 1 390.871 3.773 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159794114 863013221 /nfs/dbraw/zinc/01/32/21/863013221.db2.gz LATGZEBHQMATJK-ZDUSSCGKSA-N 1 1 390.871 3.773 20 5 GHBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595041254 858376860 /nfs/dbraw/zinc/37/68/60/858376860.db2.gz DDMXMTPFJYLGFL-KGLIPLIRSA-N 1 1 392.477 3.809 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1C(F)(F)F ZINC000301885814 858496558 /nfs/dbraw/zinc/49/65/58/858496558.db2.gz PLKLTIOISNQHMF-CVEARBPZSA-N 1 1 395.381 3.661 20 5 GHBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000595369399 858518835 /nfs/dbraw/zinc/51/88/35/858518835.db2.gz FEDGIOCRBPCMMY-AYIQCDPPSA-N 1 1 392.500 3.575 20 5 GHBDMO COc1cc(NC2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000595383766 858520557 /nfs/dbraw/zinc/52/05/57/858520557.db2.gz FWAUSRWOZDZXIW-UHFFFAOYSA-N 1 1 389.427 3.828 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000115561517 858566372 /nfs/dbraw/zinc/56/63/72/858566372.db2.gz JECDSZWGCLJLRD-UHFFFAOYSA-N 1 1 387.411 3.593 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000115561517 858566378 /nfs/dbraw/zinc/56/63/78/858566378.db2.gz JECDSZWGCLJLRD-UHFFFAOYSA-N 1 1 387.411 3.593 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCCC[C@@H]12 ZINC000595733517 858669689 /nfs/dbraw/zinc/66/96/89/858669689.db2.gz RFJKCKWTPIOFBN-IPMKNSEASA-N 1 1 399.447 3.804 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)s1 ZINC000595921082 858735278 /nfs/dbraw/zinc/73/52/78/858735278.db2.gz SSDRALNVKKNXFX-OLZOCXBDSA-N 1 1 375.450 3.779 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593150721 858807145 /nfs/dbraw/zinc/80/71/45/858807145.db2.gz QTZNWDLHSTYKJT-FQEVSTJZSA-N 1 1 399.466 3.693 20 5 GHBDMO COC(=O)c1c(Cl)c(N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000596175822 858813733 /nfs/dbraw/zinc/81/37/33/858813733.db2.gz VCJJNVFPBVLMTH-AWEZNQCLSA-N 1 1 375.812 3.633 20 5 GHBDMO COC(=O)c1c(Cl)c(N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000596175822 858813741 /nfs/dbraw/zinc/81/37/41/858813741.db2.gz VCJJNVFPBVLMTH-AWEZNQCLSA-N 1 1 375.812 3.633 20 5 GHBDMO COc1ccc(C[C@@H](C)[NH2+]C2(c3ccccc3Cl)COC2)c([N+](=O)[O-])c1 ZINC001170318690 881349289 /nfs/dbraw/zinc/34/92/89/881349289.db2.gz RRYXTYHXQNQSOY-CYBMUJFWSA-N 1 1 376.840 3.703 20 5 GHBDMO CC(C)(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1[N+](=O)[O-] ZINC000429262384 858850775 /nfs/dbraw/zinc/85/07/75/858850775.db2.gz IMYHIEFVDLQGBW-LJQANCHMSA-N 1 1 383.492 3.711 20 5 GHBDMO CC(C)([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1[N+](=O)[O-] ZINC000429262384 858850783 /nfs/dbraw/zinc/85/07/83/858850783.db2.gz IMYHIEFVDLQGBW-LJQANCHMSA-N 1 1 383.492 3.711 20 5 GHBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000556991197 881355008 /nfs/dbraw/zinc/35/50/08/881355008.db2.gz SBLRKDYKVHZQNO-UHFFFAOYSA-N 1 1 397.422 3.604 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596471597 858905665 /nfs/dbraw/zinc/90/56/65/858905665.db2.gz YRADZYMTNFERAY-QGZVFWFLSA-N 1 1 386.427 3.515 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596471596 858906108 /nfs/dbraw/zinc/90/61/08/858906108.db2.gz YRADZYMTNFERAY-KRWDZBQOSA-N 1 1 386.427 3.515 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429291714 858944803 /nfs/dbraw/zinc/94/48/03/858944803.db2.gz IXCVEBXEXAXZDX-AWEZNQCLSA-N 1 1 379.258 3.504 20 5 GHBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCC[N@H+]3Cc3ccccc3)cc2N1 ZINC000522285081 858954412 /nfs/dbraw/zinc/95/44/12/858954412.db2.gz TTXNVGLTPJPPMT-QGZVFWFLSA-N 1 1 380.448 3.556 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170327266 881364531 /nfs/dbraw/zinc/36/45/31/881364531.db2.gz GLCXTSZIYRHRRV-XJKSGUPXSA-N 1 1 380.441 3.560 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170327266 881364551 /nfs/dbraw/zinc/36/45/51/881364551.db2.gz GLCXTSZIYRHRRV-XJKSGUPXSA-N 1 1 380.441 3.560 20 5 GHBDMO C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487432995 859028285 /nfs/dbraw/zinc/02/82/85/859028285.db2.gz XOZYLROWQQQQKO-FUHWJXTLSA-N 1 1 399.516 3.714 20 5 GHBDMO COC(=O)c1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC001170333672 881379475 /nfs/dbraw/zinc/37/94/75/881379475.db2.gz RGGYXBCVGGVFEO-OWZKRDHZSA-N 1 1 395.459 3.989 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483111305 859154763 /nfs/dbraw/zinc/15/47/63/859154763.db2.gz MYXIBDIXDMNXAF-DZGCQCFKSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483111305 859154774 /nfs/dbraw/zinc/15/47/74/859154774.db2.gz MYXIBDIXDMNXAF-DZGCQCFKSA-N 1 1 387.411 3.559 20 5 GHBDMO Cc1cc(F)cc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000760593619 859197377 /nfs/dbraw/zinc/19/73/77/859197377.db2.gz VUHNUIDLPDOCQK-SFHVURJKSA-N 1 1 385.439 3.779 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCCCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170354636 881393288 /nfs/dbraw/zinc/39/32/88/881393288.db2.gz MXWOWLKPSWNBFI-OAHLLOKOSA-N 1 1 395.500 3.771 20 5 GHBDMO C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000601420204 859249479 /nfs/dbraw/zinc/24/94/79/859249479.db2.gz CDKOZQCGSVUSMJ-IRXDYDNUSA-N 1 1 385.508 3.786 20 5 GHBDMO C[C@@H](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+](C)Cc1ccccc1 ZINC000474152991 859332825 /nfs/dbraw/zinc/33/28/25/859332825.db2.gz JWAQDVRACRRXAR-HNNXBMFYSA-N 1 1 382.464 3.802 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000597259605 859384700 /nfs/dbraw/zinc/38/47/00/859384700.db2.gz DYWZSNSJJGNGJE-UHFFFAOYSA-N 1 1 382.395 3.866 20 5 GHBDMO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000060543878 859487256 /nfs/dbraw/zinc/48/72/56/859487256.db2.gz NSJNTBWNZMPPRT-QFBILLFUSA-N 1 1 397.475 3.901 20 5 GHBDMO COc1cc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000444790307 859584981 /nfs/dbraw/zinc/58/49/81/859584981.db2.gz ILFPGGYDMOABAX-UHFFFAOYSA-N 1 1 388.439 3.560 20 5 GHBDMO CC[N@H+]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000611095398 859608525 /nfs/dbraw/zinc/60/85/25/859608525.db2.gz ZNPDDVGKZBBUKX-OAHLLOKOSA-N 1 1 384.436 3.945 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765013162 859728157 /nfs/dbraw/zinc/72/81/57/859728157.db2.gz GTEQONMHMCWTJY-INIZCTEOSA-N 1 1 396.422 3.944 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765013162 859728161 /nfs/dbraw/zinc/72/81/61/859728161.db2.gz GTEQONMHMCWTJY-INIZCTEOSA-N 1 1 396.422 3.944 20 5 GHBDMO Cc1nn(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765013145 859728329 /nfs/dbraw/zinc/72/83/29/859728329.db2.gz YZMITKFDUXHCQB-FUHWJXTLSA-N 1 1 385.512 3.797 20 5 GHBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)c2C1 ZINC000534343436 859761866 /nfs/dbraw/zinc/76/18/66/859761866.db2.gz DVRCXGIEOSEPQO-UHFFFAOYSA-N 1 1 397.431 3.590 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000161307011 859820349 /nfs/dbraw/zinc/82/03/49/859820349.db2.gz MFZLAHWLGUKZMF-CRAIPNDOSA-N 1 1 391.537 3.899 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000484158414 859853151 /nfs/dbraw/zinc/85/31/51/859853151.db2.gz BQJARSWFOCFSKD-CVEARBPZSA-N 1 1 385.468 3.736 20 5 GHBDMO CCC[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171478 859861742 /nfs/dbraw/zinc/86/17/42/859861742.db2.gz NKWYHVPMKDKERV-YADHBBJMSA-N 1 1 383.492 3.663 20 5 GHBDMO CCC[C@@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171478 859861747 /nfs/dbraw/zinc/86/17/47/859861747.db2.gz NKWYHVPMKDKERV-YADHBBJMSA-N 1 1 383.492 3.663 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000185340125 859919810 /nfs/dbraw/zinc/91/98/10/859919810.db2.gz DUGGJBWTWCPNHI-HXUWFJFHSA-N 1 1 399.516 3.957 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)co2)cc1 ZINC000123536945 859994090 /nfs/dbraw/zinc/99/40/90/859994090.db2.gz VYYXDYOOJJNXJN-QZTJIDSGSA-N 1 1 389.477 3.736 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)co2)cc1 ZINC000123536945 859994096 /nfs/dbraw/zinc/99/40/96/859994096.db2.gz VYYXDYOOJJNXJN-QZTJIDSGSA-N 1 1 389.477 3.736 20 5 GHBDMO C[C@@H](c1cccc(NCc2nc3cc([N+](=O)[O-])ccc3o2)c1)[NH+]1CCOCC1 ZINC000602494260 860059803 /nfs/dbraw/zinc/05/98/03/860059803.db2.gz GBMPURGNMPDQHV-AWEZNQCLSA-N 1 1 382.420 3.741 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000484540225 860100105 /nfs/dbraw/zinc/10/01/05/860100105.db2.gz DVOGBHZWEVTGLV-ZDUSSCGKSA-N 1 1 383.404 3.981 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000484540225 860100114 /nfs/dbraw/zinc/10/01/14/860100114.db2.gz DVOGBHZWEVTGLV-ZDUSSCGKSA-N 1 1 383.404 3.981 20 5 GHBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092707700 860109120 /nfs/dbraw/zinc/10/91/20/860109120.db2.gz SHNGOGBFJIVVKL-INIZCTEOSA-N 1 1 385.464 3.983 20 5 GHBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)N1CCCC1 ZINC000537628100 881500470 /nfs/dbraw/zinc/50/04/70/881500470.db2.gz GQHVBVKHNFOTPX-QGZVFWFLSA-N 1 1 383.448 3.689 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000054224027 860136261 /nfs/dbraw/zinc/13/62/61/860136261.db2.gz DZHLGRSJYKQBRQ-WBVHZDCISA-N 1 1 385.489 3.639 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000602574864 860140175 /nfs/dbraw/zinc/14/01/75/860140175.db2.gz FRIHWLXHMQVLJW-UHFFFAOYSA-N 1 1 382.264 3.662 20 5 GHBDMO CCc1nn(C)c(CC)c1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602582406 860145564 /nfs/dbraw/zinc/14/55/64/860145564.db2.gz OAYOWIHLLYMRKQ-UHFFFAOYSA-N 1 1 387.303 3.567 20 5 GHBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1csc([N+](=O)[O-])c1 ZINC000598396500 860279319 /nfs/dbraw/zinc/27/93/19/860279319.db2.gz LPWCVDOREMPRSZ-KRWDZBQOSA-N 1 1 385.489 3.688 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000094106725 860413270 /nfs/dbraw/zinc/41/32/70/860413270.db2.gz QGLCPVBKZCRJCD-FQEVSTJZSA-N 1 1 395.503 3.814 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552280358 860415938 /nfs/dbraw/zinc/41/59/38/860415938.db2.gz DWMAZLQKQTVBLP-HMXCVIKNSA-N 1 1 392.459 3.928 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000155154193 860421681 /nfs/dbraw/zinc/42/16/81/860421681.db2.gz WSMALCMCGDBZAG-CQSZACIVSA-N 1 1 377.466 3.750 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000155154193 860421685 /nfs/dbraw/zinc/42/16/85/860421685.db2.gz WSMALCMCGDBZAG-CQSZACIVSA-N 1 1 377.466 3.750 20 5 GHBDMO C[C@H]1C[C@H](N(C)c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000301359886 860460497 /nfs/dbraw/zinc/46/04/97/860460497.db2.gz LWHOIKYSOFCTQP-GOEBONIOSA-N 1 1 385.493 3.793 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@H](Cc4ccccc4)C3)n2)cc1 ZINC000729984947 860485410 /nfs/dbraw/zinc/48/54/10/860485410.db2.gz BOOPUSYALNXTBZ-GOSISDBHSA-N 1 1 377.448 3.766 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000124752905 860488403 /nfs/dbraw/zinc/48/84/03/860488403.db2.gz VPXOCSCYVNOKJY-QAPCUYQASA-N 1 1 382.464 3.893 20 5 GHBDMO Cc1cc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc([N+](=O)[O-])c1 ZINC000552682078 860554013 /nfs/dbraw/zinc/55/40/13/860554013.db2.gz XUSDHJDCNKBGOI-QFIPXVFZSA-N 1 1 379.460 3.641 20 5 GHBDMO CC(=O)c1ccc(NC(=O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000155704950 860580749 /nfs/dbraw/zinc/58/07/49/860580749.db2.gz RTEVQXHDNGXDHC-UHFFFAOYSA-N 1 1 381.432 3.791 20 5 GHBDMO CCn1nncc1C[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000598985386 860716950 /nfs/dbraw/zinc/71/69/50/860716950.db2.gz CVPSURZDTCOYQU-UHFFFAOYSA-N 1 1 383.477 3.956 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185573978 860745778 /nfs/dbraw/zinc/74/57/78/860745778.db2.gz VGDXDCOWGOPNNG-BHIYHBOVSA-N 1 1 387.524 3.933 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)c2c(c1)COCO2 ZINC000125762872 860771579 /nfs/dbraw/zinc/77/15/79/860771579.db2.gz UPAVOWFRYVEGOO-UHFFFAOYSA-N 1 1 398.459 3.685 20 5 GHBDMO Cc1ccc(C(C)(C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000599067591 860774307 /nfs/dbraw/zinc/77/43/07/860774307.db2.gz GPOSGQFHYSXBHK-LJQANCHMSA-N 1 1 379.464 3.689 20 5 GHBDMO COc1ccc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000481281423 860921520 /nfs/dbraw/zinc/92/15/20/860921520.db2.gz DRYGJSUBTDIHBB-IBGZPJMESA-N 1 1 398.463 3.636 20 5 GHBDMO CC1(C)CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1Cc1ccccc1 ZINC000609192581 881612671 /nfs/dbraw/zinc/61/26/71/881612671.db2.gz SNPRWBPXXSZDMX-UHFFFAOYSA-N 1 1 392.459 3.813 20 5 GHBDMO CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000061255112 861108283 /nfs/dbraw/zinc/10/82/83/861108283.db2.gz SRSXSDQSDKZBLF-SFHVURJKSA-N 1 1 378.856 3.899 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000482501748 863227505 /nfs/dbraw/zinc/22/75/05/863227505.db2.gz CDDXLARJBPMKOH-UHFFFAOYSA-N 1 1 386.448 3.902 20 5 GHBDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC3 ZINC000609195934 881669293 /nfs/dbraw/zinc/66/92/93/881669293.db2.gz MQMRTVVLMAFASG-UHFFFAOYSA-N 1 1 378.432 3.771 20 5 GHBDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC3 ZINC000609195934 881669301 /nfs/dbraw/zinc/66/93/01/881669301.db2.gz MQMRTVVLMAFASG-UHFFFAOYSA-N 1 1 378.432 3.771 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000475215833 864585382 /nfs/dbraw/zinc/58/53/82/864585382.db2.gz MBPIXQJTSVIFJM-AAEUAGOBSA-N 1 1 388.390 3.950 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000843800817 864650538 /nfs/dbraw/zinc/65/05/38/864650538.db2.gz UBYLBJFEYFMJML-ZBFHGGJFSA-N 1 1 377.460 3.769 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475288233 864719469 /nfs/dbraw/zinc/71/94/69/864719469.db2.gz XVPWWGJCXXSQHJ-XLIONFOSSA-N 1 1 396.491 3.880 20 5 GHBDMO COc1cc(C[NH2+]Cc2ncccc2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000475356898 864848215 /nfs/dbraw/zinc/84/82/15/864848215.db2.gz OCSMYQQTZZEHLA-UHFFFAOYSA-N 1 1 395.415 3.573 20 5 GHBDMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184913601 865042175 /nfs/dbraw/zinc/04/21/75/865042175.db2.gz HTHPADHTRBAGGH-INIZCTEOSA-N 1 1 385.439 3.572 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185038610 865137392 /nfs/dbraw/zinc/13/73/92/865137392.db2.gz BSTIBYAIGRSSTQ-OAHLLOKOSA-N 1 1 379.476 3.808 20 5 GHBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000736597249 865247924 /nfs/dbraw/zinc/24/79/24/865247924.db2.gz WNXAYKWUSVNHAU-PBHICJAKSA-N 1 1 381.411 3.828 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000121293131 865276251 /nfs/dbraw/zinc/27/62/51/865276251.db2.gz ZBDWRJNWPMZXJD-HNNXBMFYSA-N 1 1 382.395 3.849 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000738054033 865488777 /nfs/dbraw/zinc/48/87/77/865488777.db2.gz FKFVCRKENXVANC-SJLPKXTDSA-N 1 1 377.448 3.997 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(C)C ZINC000608838793 865740817 /nfs/dbraw/zinc/74/08/17/865740817.db2.gz MGFYBXQRYQQHPS-CALCHBBNSA-N 1 1 390.528 3.537 20 5 GHBDMO COCC[N@@H+](CCc1ccccc1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534113336 866141905 /nfs/dbraw/zinc/14/19/05/866141905.db2.gz CDTBSNVWPIYGQG-UHFFFAOYSA-N 1 1 381.432 3.941 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001170425895 881947088 /nfs/dbraw/zinc/94/70/88/881947088.db2.gz URBKYBAAWGQYBT-INIZCTEOSA-N 1 1 399.403 3.669 20 5 GHBDMO COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000741123457 866250623 /nfs/dbraw/zinc/25/06/23/866250623.db2.gz GQFURPKGNULQCN-XLIONFOSSA-N 1 1 384.432 3.762 20 5 GHBDMO O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741328806 866411261 /nfs/dbraw/zinc/41/12/61/866411261.db2.gz VLGBCVLKJAFOGR-HNNXBMFYSA-N 1 1 390.386 3.828 20 5 GHBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000456530713 866783897 /nfs/dbraw/zinc/78/38/97/866783897.db2.gz NJFQHCLZRNYWTR-ZDUSSCGKSA-N 1 1 399.441 3.516 20 5 GHBDMO COc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000741790196 866793505 /nfs/dbraw/zinc/79/35/05/866793505.db2.gz AZLFCRUWEDHQJV-LJQANCHMSA-N 1 1 376.428 3.934 20 5 GHBDMO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(-n2cccn2)c1 ZINC000183596066 866891982 /nfs/dbraw/zinc/89/19/82/866891982.db2.gz SQSUONKTMHNVDH-CQSZACIVSA-N 1 1 390.403 3.681 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)nc1 ZINC000440498283 866966243 /nfs/dbraw/zinc/96/62/43/866966243.db2.gz XSNOTXUSLYJEKT-OAHLLOKOSA-N 1 1 399.838 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)nc1 ZINC000440498283 866966259 /nfs/dbraw/zinc/96/62/59/866966259.db2.gz XSNOTXUSLYJEKT-OAHLLOKOSA-N 1 1 399.838 3.985 20 5 GHBDMO CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444684370 867030173 /nfs/dbraw/zinc/03/01/73/867030173.db2.gz MALKAHTWRIQEDI-GOSISDBHSA-N 1 1 379.464 3.568 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC000742155925 867107767 /nfs/dbraw/zinc/10/77/67/867107767.db2.gz OGUNAQSRLBCOBP-KRWDZBQOSA-N 1 1 380.448 3.865 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)COc1ccccc1 ZINC000444808493 867240065 /nfs/dbraw/zinc/24/00/65/867240065.db2.gz RZTOOVHOWVLBGS-KRWDZBQOSA-N 1 1 378.856 3.899 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)COc1ccccc1 ZINC000444808493 867240080 /nfs/dbraw/zinc/24/00/80/867240080.db2.gz RZTOOVHOWVLBGS-KRWDZBQOSA-N 1 1 378.856 3.899 20 5 GHBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444925369 867469229 /nfs/dbraw/zinc/46/92/29/867469229.db2.gz SYMZGXVZVJNPQR-GOSISDBHSA-N 1 1 398.463 3.732 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000743374440 868170593 /nfs/dbraw/zinc/17/05/93/868170593.db2.gz CNZHSMOEEBUGAF-QFIPXVFZSA-N 1 1 391.475 3.622 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000487512270 868391280 /nfs/dbraw/zinc/39/12/80/868391280.db2.gz SSSNKNWIVAHINY-OAHLLOKOSA-N 1 1 387.505 3.957 20 5 GHBDMO COc1cc(C[NH2+][C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000445813384 869018098 /nfs/dbraw/zinc/01/80/98/869018098.db2.gz HSFQBMXJGBCRBC-QGZVFWFLSA-N 1 1 379.363 3.841 20 5 GHBDMO CCCCOC1CC[NH+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000524753160 869499796 /nfs/dbraw/zinc/49/97/96/869499796.db2.gz OYFFEHVJFURTCC-UHFFFAOYSA-N 1 1 388.411 3.986 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446486863 869918802 /nfs/dbraw/zinc/91/88/02/869918802.db2.gz XZMHLCMIQOMGDR-AEFFLSMTSA-N 1 1 382.464 3.935 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000525102313 870006906 /nfs/dbraw/zinc/00/69/06/870006906.db2.gz MZOFXLKXIGNABU-LSDHHAIUSA-N 1 1 399.447 3.608 20 5 GHBDMO COc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195692 870149908 /nfs/dbraw/zinc/14/99/08/870149908.db2.gz YYINTSOXQQJTKT-APWZRJJASA-N 1 1 399.491 3.755 20 5 GHBDMO COc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195692 870149914 /nfs/dbraw/zinc/14/99/14/870149914.db2.gz YYINTSOXQQJTKT-APWZRJJASA-N 1 1 399.491 3.755 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000441069305 870166871 /nfs/dbraw/zinc/16/68/71/870166871.db2.gz SQCDYLFWXOJKDN-QGZVFWFLSA-N 1 1 383.448 3.668 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000441069305 870166878 /nfs/dbraw/zinc/16/68/78/870166878.db2.gz SQCDYLFWXOJKDN-QGZVFWFLSA-N 1 1 383.448 3.668 20 5 GHBDMO Cn1cc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462832391 870181187 /nfs/dbraw/zinc/18/11/87/870181187.db2.gz GZAUIDLTEICMFB-UHFFFAOYSA-N 1 1 390.443 3.748 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000540016266 870205443 /nfs/dbraw/zinc/20/54/43/870205443.db2.gz AXTKEUZMCWTQLH-CABCVRRESA-N 1 1 399.447 3.560 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000540016266 870205460 /nfs/dbraw/zinc/20/54/60/870205460.db2.gz AXTKEUZMCWTQLH-CABCVRRESA-N 1 1 399.447 3.560 20 5 GHBDMO CNc1ccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000525286917 870290650 /nfs/dbraw/zinc/29/06/50/870290650.db2.gz FFABGSSCYRBWNP-HNNXBMFYSA-N 1 1 398.463 3.609 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000538715180 870396573 /nfs/dbraw/zinc/39/65/73/870396573.db2.gz NSUVESHBKRRYRA-PHIMTYICSA-N 1 1 376.425 3.573 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000538715180 870396592 /nfs/dbraw/zinc/39/65/92/870396592.db2.gz NSUVESHBKRRYRA-PHIMTYICSA-N 1 1 376.425 3.573 20 5 GHBDMO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617711241 870772577 /nfs/dbraw/zinc/77/25/77/870772577.db2.gz OYLVBUZTTAAYJY-IEBWSBKVSA-N 1 1 381.476 3.727 20 5 GHBDMO C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617742718 870821596 /nfs/dbraw/zinc/82/15/96/870821596.db2.gz UKNCVQAFFLRNFH-ZWKOTPCHSA-N 1 1 381.476 3.821 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765309 870844281 /nfs/dbraw/zinc/84/42/81/870844281.db2.gz PWSJLVRIJXIDDJ-DYESRHJHSA-N 1 1 383.492 3.971 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC001127626862 870946029 /nfs/dbraw/zinc/94/60/29/870946029.db2.gz YPGVRBQHJZSDML-UHFFFAOYSA-N 1 1 389.402 3.962 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169013705 871098044 /nfs/dbraw/zinc/09/80/44/871098044.db2.gz WANPGLIAWGZIFV-HLIPFELVSA-N 1 1 381.517 3.687 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC([N@@H+](C2CCC2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169057825 871144576 /nfs/dbraw/zinc/14/45/76/871144576.db2.gz XTRPMVOJQNODPG-CRAIPNDOSA-N 1 1 381.517 3.686 20 5 GHBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000181567523 871181567 /nfs/dbraw/zinc/18/15/67/871181567.db2.gz VVTPOGCRMFVGKY-HNNXBMFYSA-N 1 1 379.526 3.803 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(c(Br)c1)OCO2 ZINC001193743701 871259772 /nfs/dbraw/zinc/25/97/72/871259772.db2.gz RGXKHNBAGLELPI-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO COc1ccc(OCC[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000441238403 871367750 /nfs/dbraw/zinc/36/77/50/871367750.db2.gz YRJRTTBXNDEHSG-UHFFFAOYSA-N 1 1 398.459 3.886 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000121339957 871387206 /nfs/dbraw/zinc/38/72/06/871387206.db2.gz NDDYIUAZYGAVJK-SJLPKXTDSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000121339957 871387225 /nfs/dbraw/zinc/38/72/25/871387225.db2.gz NDDYIUAZYGAVJK-SJLPKXTDSA-N 1 1 391.830 3.871 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CC1 ZINC000441269581 871618458 /nfs/dbraw/zinc/61/84/58/871618458.db2.gz SORNCYLFLPWQHK-QGZVFWFLSA-N 1 1 376.840 3.653 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CC1 ZINC000441269581 871618471 /nfs/dbraw/zinc/61/84/71/871618471.db2.gz SORNCYLFLPWQHK-QGZVFWFLSA-N 1 1 376.840 3.653 20 5 GHBDMO COc1cc(CN[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c([N+](=O)[O-])cc1F ZINC001169567951 871643254 /nfs/dbraw/zinc/64/32/54/871643254.db2.gz OJOFXTVCXYNJKW-IBGZPJMESA-N 1 1 389.471 3.989 20 5 GHBDMO COc1cc(CN[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c([N+](=O)[O-])cc1F ZINC001169567951 871643258 /nfs/dbraw/zinc/64/32/58/871643258.db2.gz OJOFXTVCXYNJKW-IBGZPJMESA-N 1 1 389.471 3.989 20 5 GHBDMO CC[N@H+](C[C@@H](C)OC)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000463424421 871705076 /nfs/dbraw/zinc/70/50/76/871705076.db2.gz OZKNNDSNFVFJPT-OXQOHEQNSA-N 1 1 385.464 3.940 20 5 GHBDMO CC[N@@H+](C[C@@H](C)OC)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000463424421 871705089 /nfs/dbraw/zinc/70/50/89/871705089.db2.gz OZKNNDSNFVFJPT-OXQOHEQNSA-N 1 1 385.464 3.940 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462182811 871785037 /nfs/dbraw/zinc/78/50/37/871785037.db2.gz QJWFXNHWUHNQDP-UCNVEGJOSA-N 1 1 395.503 3.800 20 5 GHBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 ZINC000539379248 871858569 /nfs/dbraw/zinc/85/85/69/871858569.db2.gz SSVIPSHFLKRELB-KBPBESRZSA-N 1 1 398.488 3.902 20 5 GHBDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000128119571 871990891 /nfs/dbraw/zinc/99/08/91/871990891.db2.gz DSSKUIXNCUGKCX-IBGZPJMESA-N 1 1 386.448 3.793 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)CC(F)(F)F ZINC000182211877 872011481 /nfs/dbraw/zinc/01/14/81/872011481.db2.gz KTLAGWLBGLINPG-GFCCVEGCSA-N 1 1 379.810 3.954 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000619583289 872770373 /nfs/dbraw/zinc/77/03/73/872770373.db2.gz WTECOZODEBBEPY-KSZLIROESA-N 1 1 389.496 3.536 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4cccc(Cl)c4)CC3)nc2c1 ZINC000460356271 872944357 /nfs/dbraw/zinc/94/43/57/872944357.db2.gz ZHUBGHRIXQISTB-UHFFFAOYSA-N 1 1 385.855 3.837 20 5 GHBDMO COCC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000767939963 872972154 /nfs/dbraw/zinc/97/21/54/872972154.db2.gz KNZZLBBOVTXOCB-UONOGXRCSA-N 1 1 383.876 3.714 20 5 GHBDMO COCC[C@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000767939963 872972173 /nfs/dbraw/zinc/97/21/73/872972173.db2.gz KNZZLBBOVTXOCB-UONOGXRCSA-N 1 1 383.876 3.714 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001127247729 873001090 /nfs/dbraw/zinc/00/10/90/873001090.db2.gz ZIPSGVVMSCXLNU-ROUUACIJSA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001127247729 873001110 /nfs/dbraw/zinc/00/11/10/873001110.db2.gz ZIPSGVVMSCXLNU-ROUUACIJSA-N 1 1 381.476 3.947 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858014647 882723468 /nfs/dbraw/zinc/72/34/68/882723468.db2.gz NUMNKYTVHZQYNT-IBGZPJMESA-N 1 1 383.448 3.919 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858014647 882723474 /nfs/dbraw/zinc/72/34/74/882723474.db2.gz NUMNKYTVHZQYNT-IBGZPJMESA-N 1 1 383.448 3.919 20 5 GHBDMO Cc1ccc(C[NH+]2CCC(NC(=O)OCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001197060761 873570213 /nfs/dbraw/zinc/57/02/13/873570213.db2.gz YDCRNOMVNMGMPD-UHFFFAOYSA-N 1 1 383.448 3.794 20 5 GHBDMO C[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1Cc1ccccc1 ZINC000541577151 873895659 /nfs/dbraw/zinc/89/56/59/873895659.db2.gz JEZIBVOFOFPWBW-INIZCTEOSA-N 1 1 377.448 3.639 20 5 GHBDMO Cc1cccc(NC2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000153012283 873933080 /nfs/dbraw/zinc/93/30/80/873933080.db2.gz NXONMFBBZANLHF-INIZCTEOSA-N 1 1 382.464 3.807 20 5 GHBDMO Cc1ccccc1C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000541662139 874067230 /nfs/dbraw/zinc/06/72/30/874067230.db2.gz JKWSSALTTNAOGF-UHFFFAOYSA-N 1 1 379.460 3.672 20 5 GHBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1[N+](=O)[O-] ZINC000769462025 874086386 /nfs/dbraw/zinc/08/63/86/874086386.db2.gz FMPYUEPJRMUWEM-OAHLLOKOSA-N 1 1 385.424 3.708 20 5 GHBDMO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000541784471 874259214 /nfs/dbraw/zinc/25/92/14/874259214.db2.gz NKYHMKAOSIJXDB-OAHLLOKOSA-N 1 1 386.427 3.862 20 5 GHBDMO C[C@@H](CCN(C)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000770148700 874500532 /nfs/dbraw/zinc/50/05/32/874500532.db2.gz IYOIOPZHJPSTCS-INIZCTEOSA-N 1 1 386.452 3.845 20 5 GHBDMO C[C@@H](CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000770148700 874500548 /nfs/dbraw/zinc/50/05/48/874500548.db2.gz IYOIOPZHJPSTCS-INIZCTEOSA-N 1 1 386.452 3.845 20 5 GHBDMO C[C@@H](CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000770148700 874500560 /nfs/dbraw/zinc/50/05/60/874500560.db2.gz IYOIOPZHJPSTCS-INIZCTEOSA-N 1 1 386.452 3.845 20 5 GHBDMO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000770380886 874622153 /nfs/dbraw/zinc/62/21/53/874622153.db2.gz IMQRPKIIUITLGP-CYBMUJFWSA-N 1 1 399.285 3.913 20 5 GHBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000770380886 874622157 /nfs/dbraw/zinc/62/21/57/874622157.db2.gz IMQRPKIIUITLGP-CYBMUJFWSA-N 1 1 399.285 3.913 20 5 GHBDMO Cc1nn(C)c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1Br ZINC000449503878 874967451 /nfs/dbraw/zinc/96/74/51/874967451.db2.gz UYYAKVOLHRMVSH-CQSZACIVSA-N 1 1 393.285 3.779 20 5 GHBDMO Cc1nn(C)c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1Br ZINC000449503878 874967462 /nfs/dbraw/zinc/96/74/62/874967462.db2.gz UYYAKVOLHRMVSH-CQSZACIVSA-N 1 1 393.285 3.779 20 5 GHBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505230 874970852 /nfs/dbraw/zinc/97/08/52/874970852.db2.gz WTHKYAZEMWEAFM-YJBOKZPZSA-N 1 1 388.489 3.939 20 5 GHBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505230 874970859 /nfs/dbraw/zinc/97/08/59/874970859.db2.gz WTHKYAZEMWEAFM-YJBOKZPZSA-N 1 1 388.489 3.939 20 5 GHBDMO C[N@@H+](CCCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C1CC1 ZINC001129515777 882914798 /nfs/dbraw/zinc/91/47/98/882914798.db2.gz VPZRJGPGKYWJQO-UHFFFAOYSA-N 1 1 383.448 3.991 20 5 GHBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000449747671 875343287 /nfs/dbraw/zinc/34/32/87/875343287.db2.gz XUIYVRRYJOCJKM-AWEZNQCLSA-N 1 1 388.493 3.559 20 5 GHBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542363152 875431658 /nfs/dbraw/zinc/43/16/58/875431658.db2.gz MUHUGSFODYYUKG-CQSZACIVSA-N 1 1 385.917 3.673 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000771916275 875556025 /nfs/dbraw/zinc/55/60/25/875556025.db2.gz MECBHALABRTHQF-UHFFFAOYSA-N 1 1 383.839 3.514 20 5 GHBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000549865627 875730273 /nfs/dbraw/zinc/73/02/73/875730273.db2.gz PCOYYOANAOUYBT-JOCHJYFZSA-N 1 1 381.476 3.789 20 5 GHBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000549865627 875730286 /nfs/dbraw/zinc/73/02/86/875730286.db2.gz PCOYYOANAOUYBT-JOCHJYFZSA-N 1 1 381.476 3.789 20 5 GHBDMO C[C@@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000271881173 875841519 /nfs/dbraw/zinc/84/15/19/875841519.db2.gz ZBVJTEDRKFWHHS-CVEARBPZSA-N 1 1 398.463 3.871 20 5 GHBDMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000494717258 883008830 /nfs/dbraw/zinc/00/88/30/883008830.db2.gz CBSWPSLMFDWTCT-JSGCOSHPSA-N 1 1 387.436 3.557 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000492401426 876747059 /nfs/dbraw/zinc/74/70/59/876747059.db2.gz PAIANEQMSDQIBK-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000609977933 877239339 /nfs/dbraw/zinc/23/93/39/877239339.db2.gz HYCVIDMCNOSBNF-DNVCBOLYSA-N 1 1 385.439 3.859 20 5 GHBDMO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746662977 877247368 /nfs/dbraw/zinc/24/73/68/877247368.db2.gz JKEKKJIJXIBNBY-UHFFFAOYSA-N 1 1 383.876 3.985 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000787411107 877375394 /nfs/dbraw/zinc/37/53/94/877375394.db2.gz OTCGNNZJPAIYDT-ZTFQHJPJSA-N 1 1 382.460 3.823 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000787411107 877375411 /nfs/dbraw/zinc/37/54/11/877375411.db2.gz OTCGNNZJPAIYDT-ZTFQHJPJSA-N 1 1 382.460 3.823 20 5 GHBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000064739456 877411591 /nfs/dbraw/zinc/41/15/91/877411591.db2.gz OGCVWYYNLQAVRH-ZIAGYGMSSA-N 1 1 397.903 3.642 20 5 GHBDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000746711501 877685880 /nfs/dbraw/zinc/68/58/80/877685880.db2.gz JCCPPGYDGBBGOS-YLJYHZDGSA-N 1 1 393.443 3.807 20 5 GHBDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000746711501 877685897 /nfs/dbraw/zinc/68/58/97/877685897.db2.gz JCCPPGYDGBBGOS-YLJYHZDGSA-N 1 1 393.443 3.807 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@H](C)CSC(C)=O ZINC001183132990 912276211 /nfs/dbraw/zinc/27/62/11/912276211.db2.gz SPTVCPNPFSTODY-GFCCVEGCSA-N 1 1 397.500 3.811 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851853917 877942113 /nfs/dbraw/zinc/94/21/13/877942113.db2.gz MMNRIKMTGNQLHU-ZIAGYGMSSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851853917 877942121 /nfs/dbraw/zinc/94/21/21/877942121.db2.gz MMNRIKMTGNQLHU-ZIAGYGMSSA-N 1 1 381.448 3.859 20 5 GHBDMO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)cc1 ZINC000788468002 878084850 /nfs/dbraw/zinc/08/48/50/878084850.db2.gz CNBFJKJITHQPEU-UHFFFAOYSA-N 1 1 383.423 3.791 20 5 GHBDMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)cc1 ZINC000788468002 878084869 /nfs/dbraw/zinc/08/48/69/878084869.db2.gz CNBFJKJITHQPEU-UHFFFAOYSA-N 1 1 383.423 3.791 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000776590563 878278727 /nfs/dbraw/zinc/27/87/27/878278727.db2.gz DUTSAWXQFGRYGK-XZOQPEGZSA-N 1 1 395.503 3.616 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592331 878281841 /nfs/dbraw/zinc/28/18/41/878281841.db2.gz LCRMDSBDBAUVRZ-SFHVURJKSA-N 1 1 391.855 3.632 20 5 GHBDMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592331 878281856 /nfs/dbraw/zinc/28/18/56/878281856.db2.gz LCRMDSBDBAUVRZ-SFHVURJKSA-N 1 1 391.855 3.632 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000530672937 878300050 /nfs/dbraw/zinc/30/00/50/878300050.db2.gz BDQIYFFTEPLQRU-QRWLVFNGSA-N 1 1 392.459 3.717 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC000852474405 878356429 /nfs/dbraw/zinc/35/64/29/878356429.db2.gz ARGQVUDHUUCYKT-GOSISDBHSA-N 1 1 381.457 3.810 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000460712485 878476042 /nfs/dbraw/zinc/47/60/42/878476042.db2.gz BHOVYICQUXGNHP-KRWDZBQOSA-N 1 1 381.476 3.828 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)s1 ZINC000852773903 878589697 /nfs/dbraw/zinc/58/96/97/878589697.db2.gz IXFQGCSVRXPENS-NSHDSACASA-N 1 1 395.868 3.871 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)s1 ZINC000852773903 878589711 /nfs/dbraw/zinc/58/97/11/878589711.db2.gz IXFQGCSVRXPENS-NSHDSACASA-N 1 1 395.868 3.871 20 5 GHBDMO CC(C)[C@@H](CO)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000530929094 878794922 /nfs/dbraw/zinc/79/49/22/878794922.db2.gz UUBUNUMVVOHPDK-LJQANCHMSA-N 1 1 396.447 3.664 20 5 GHBDMO CC(C)[C@@H](CO)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000530929094 878794936 /nfs/dbraw/zinc/79/49/36/878794936.db2.gz UUBUNUMVVOHPDK-LJQANCHMSA-N 1 1 396.447 3.664 20 5 GHBDMO COc1cc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c([N+](=O)[O-])cc1F ZINC000452062567 878888241 /nfs/dbraw/zinc/88/82/41/878888241.db2.gz SXVAMUMEZNVQMC-QGZVFWFLSA-N 1 1 380.441 3.798 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)nc1-c1ccccn1 ZINC000853497406 879063686 /nfs/dbraw/zinc/06/36/86/879063686.db2.gz YHBQIDJRSOLABO-MRXNPFEDSA-N 1 1 381.411 3.515 20 5 GHBDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497032 879063813 /nfs/dbraw/zinc/06/38/13/879063813.db2.gz OHHZYAHQYJXUKO-HOCLYGCPSA-N 1 1 381.411 3.828 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)cc1 ZINC000853505399 879068052 /nfs/dbraw/zinc/06/80/52/879068052.db2.gz WKANMENBYIOKBR-INIZCTEOSA-N 1 1 395.463 3.630 20 5 GHBDMO C[C@]1(c2cccc(F)c2)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853519893 879079963 /nfs/dbraw/zinc/07/99/63/879079963.db2.gz UTPYJRTUQFFGFT-FQEVSTJZSA-N 1 1 381.411 3.614 20 5 GHBDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853519893 879079978 /nfs/dbraw/zinc/07/99/78/879079978.db2.gz UTPYJRTUQFFGFT-FQEVSTJZSA-N 1 1 381.411 3.614 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000538274218 879163130 /nfs/dbraw/zinc/16/31/30/879163130.db2.gz WDOOSLJFONHTKZ-INIZCTEOSA-N 1 1 391.537 3.899 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000069035487 879441170 /nfs/dbraw/zinc/44/11/70/879441170.db2.gz GOLUTGRTOYFWFI-MRXNPFEDSA-N 1 1 377.828 3.798 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000531381957 879745868 /nfs/dbraw/zinc/74/58/68/879745868.db2.gz JWZRHHQXJJDKJT-JSGCOSHPSA-N 1 1 387.427 3.509 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790555612 879811751 /nfs/dbraw/zinc/81/17/51/879811751.db2.gz XKCDYLFTJGIXIF-UHFFFAOYSA-N 1 1 385.867 3.653 20 5 GHBDMO C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000790557631 879813867 /nfs/dbraw/zinc/81/38/67/879813867.db2.gz BKLHTXXHSPIVMA-CYBMUJFWSA-N 1 1 393.846 3.567 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)o2)cc1 ZINC000181188028 880047244 /nfs/dbraw/zinc/04/72/44/880047244.db2.gz TWJKFPXZQYGVBS-BEFAXECRSA-N 1 1 394.431 3.902 20 5 GHBDMO Cc1c(C[NH2+]Cc2ccccc2I)cccc1[N+](=O)[O-] ZINC000790999898 880127353 /nfs/dbraw/zinc/12/73/53/880127353.db2.gz PISPAMWZMDWMDY-UHFFFAOYSA-N 1 1 382.201 3.798 20 5 GHBDMO O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452855494 880151282 /nfs/dbraw/zinc/15/12/82/880151282.db2.gz PILJWNZDZCIJKX-CTNGQTDRSA-N 1 1 379.460 3.575 20 5 GHBDMO O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452855494 880151290 /nfs/dbraw/zinc/15/12/90/880151290.db2.gz PILJWNZDZCIJKX-CTNGQTDRSA-N 1 1 379.460 3.575 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000609382883 883126791 /nfs/dbraw/zinc/12/67/91/883126791.db2.gz GIQKPVLDXDLDQM-INIZCTEOSA-N 1 1 397.500 3.960 20 5 GHBDMO COCc1cccc(OCC2(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC000537681083 883139272 /nfs/dbraw/zinc/13/92/72/883139272.db2.gz ZDXOZQOKFSTBEQ-UHFFFAOYSA-N 1 1 382.460 3.959 20 5 GHBDMO COCc1cccc(OCC2(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC000537681083 883139275 /nfs/dbraw/zinc/13/92/75/883139275.db2.gz ZDXOZQOKFSTBEQ-UHFFFAOYSA-N 1 1 382.460 3.959 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C\c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000609475497 883238130 /nfs/dbraw/zinc/23/81/30/883238130.db2.gz PFVSNUMSGPXIOZ-KTKRTIGZSA-N 1 1 392.415 3.647 20 5 GHBDMO COc1ccccc1O[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000795725133 912699056 /nfs/dbraw/zinc/69/90/56/912699056.db2.gz HALSBEPAWKWYAI-KRWDZBQOSA-N 1 1 396.447 3.762 20 5 GHBDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000795725133 912699060 /nfs/dbraw/zinc/69/90/60/912699060.db2.gz HALSBEPAWKWYAI-KRWDZBQOSA-N 1 1 396.447 3.762 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804812176 883374435 /nfs/dbraw/zinc/37/44/35/883374435.db2.gz KFMVONIHJDAPIA-HXUWFJFHSA-N 1 1 382.420 3.605 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000805792364 884075703 /nfs/dbraw/zinc/07/57/03/884075703.db2.gz BFJUHSFYWVKMAR-HXUWFJFHSA-N 1 1 375.469 3.818 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000805794967 884084421 /nfs/dbraw/zinc/08/44/21/884084421.db2.gz CSQNUHJONBWNJZ-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000805794967 884084439 /nfs/dbraw/zinc/08/44/39/884084439.db2.gz CSQNUHJONBWNJZ-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026924970 884114910 /nfs/dbraw/zinc/11/49/10/884114910.db2.gz MTYIWFXXEYPWNA-LBPRGKRZSA-N 1 1 397.387 3.701 20 5 GHBDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026924970 884114916 /nfs/dbraw/zinc/11/49/16/884114916.db2.gz MTYIWFXXEYPWNA-LBPRGKRZSA-N 1 1 397.387 3.701 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000494966173 884300741 /nfs/dbraw/zinc/30/07/41/884300741.db2.gz LXWSZZCTZIWOOZ-INIZCTEOSA-N 1 1 377.510 3.652 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000495024220 884384579 /nfs/dbraw/zinc/38/45/79/884384579.db2.gz CJSFEUUDEVMSEA-DFBGVHRSSA-N 1 1 386.477 3.633 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000495024220 884384593 /nfs/dbraw/zinc/38/45/93/884384593.db2.gz CJSFEUUDEVMSEA-DFBGVHRSSA-N 1 1 386.477 3.633 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498527253 884730491 /nfs/dbraw/zinc/73/04/91/884730491.db2.gz YDYALAGBWWRHIY-UHFFFAOYSA-N 1 1 379.526 3.657 20 5 GHBDMO COc1cccc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000498683765 885264856 /nfs/dbraw/zinc/26/48/56/885264856.db2.gz XBDJUXGKIXKRNR-HNNXBMFYSA-N 1 1 383.448 3.810 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000861444728 885510858 /nfs/dbraw/zinc/51/08/58/885510858.db2.gz BVIUVJWHGRKYDM-BBRMVZONSA-N 1 1 392.349 3.954 20 5 GHBDMO Cc1ccccc1OCCC[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000532484134 885811464 /nfs/dbraw/zinc/81/14/64/885811464.db2.gz MXPSATUXRSNGJW-UHFFFAOYSA-N 1 1 399.447 3.602 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+](CCc2ccccc2F)C2CCCC2)c([N+](=O)[O-])c1 ZINC000532502921 885835300 /nfs/dbraw/zinc/83/53/00/885835300.db2.gz DUOQYLGJIZAGHI-UHFFFAOYSA-N 1 1 385.439 3.820 20 5 GHBDMO C[N@@H+]1CC[C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1c1ccccc1 ZINC000550684942 885894053 /nfs/dbraw/zinc/89/40/53/885894053.db2.gz TZXVMWZKWPDQGX-PMACEKPBSA-N 1 1 378.432 3.785 20 5 GHBDMO C[N@H+]1CC[C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1c1ccccc1 ZINC000550684942 885894061 /nfs/dbraw/zinc/89/40/61/885894061.db2.gz TZXVMWZKWPDQGX-PMACEKPBSA-N 1 1 378.432 3.785 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000915170258 885934130 /nfs/dbraw/zinc/93/41/30/885934130.db2.gz RHCWCZDYHZMYID-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915170182 885934837 /nfs/dbraw/zinc/93/48/37/885934837.db2.gz LCSARBIFSFGAGZ-XFXZXTDPSA-N 1 1 379.460 3.651 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000808059328 885962945 /nfs/dbraw/zinc/96/29/45/885962945.db2.gz BPYULRLQBXLEEB-TWVNLXSWSA-N 1 1 399.516 3.958 20 5 GHBDMO CC1CCC([N@H+](Cc2c([N+](=O)[O-])ncn2C)Cc2ccc3c(c2)OCO3)CC1 ZINC000475874147 886281998 /nfs/dbraw/zinc/28/19/98/886281998.db2.gz OCSIKQAJHOVSMD-UHFFFAOYSA-N 1 1 386.452 3.638 20 5 GHBDMO CC1CCC([N@@H+](Cc2c([N+](=O)[O-])ncn2C)Cc2ccc3c(c2)OCO3)CC1 ZINC000475874147 886282012 /nfs/dbraw/zinc/28/20/12/886282012.db2.gz OCSIKQAJHOVSMD-UHFFFAOYSA-N 1 1 386.452 3.638 20 5 GHBDMO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000556870504 886420929 /nfs/dbraw/zinc/42/09/29/886420929.db2.gz NXRBSOLCLQMTJV-QRVBRYPASA-N 1 1 384.480 3.745 20 5 GHBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155114840 886639664 /nfs/dbraw/zinc/63/96/64/886639664.db2.gz OQOJEAXGLJSPNP-CYBMUJFWSA-N 1 1 399.289 3.695 20 5 GHBDMO CN(C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)C(=O)OC(C)(C)C ZINC000747529551 886803208 /nfs/dbraw/zinc/80/32/08/886803208.db2.gz VRKOTSZJXYZHJQ-CQSZACIVSA-N 1 1 381.448 3.813 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)C(=O)OC(C)(C)C ZINC000747529551 886803221 /nfs/dbraw/zinc/80/32/21/886803221.db2.gz VRKOTSZJXYZHJQ-CQSZACIVSA-N 1 1 381.448 3.813 20 5 GHBDMO C[N@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794623679 887689149 /nfs/dbraw/zinc/68/91/49/887689149.db2.gz ORZBVVGVIWXFPZ-JXFKEZNVSA-N 1 1 397.431 3.560 20 5 GHBDMO C[N@@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794623679 887689160 /nfs/dbraw/zinc/68/91/60/887689160.db2.gz ORZBVVGVIWXFPZ-JXFKEZNVSA-N 1 1 397.431 3.560 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809911315 887930611 /nfs/dbraw/zinc/93/06/11/887930611.db2.gz LMYMCFQQOCBVPU-OAHLLOKOSA-N 1 1 388.855 3.986 20 5 GHBDMO COc1ccc([C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)cc1 ZINC000194013994 887932525 /nfs/dbraw/zinc/93/25/25/887932525.db2.gz NVISIWFPMYZBGU-LJQANCHMSA-N 1 1 380.404 3.894 20 5 GHBDMO C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(N)=O ZINC000794717436 887964184 /nfs/dbraw/zinc/96/41/84/887964184.db2.gz MUVKZDHFLQORFW-BONVTDFDSA-N 1 1 382.247 3.649 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000809996899 888052550 /nfs/dbraw/zinc/05/25/50/888052550.db2.gz MQPYCGLAERUQGX-QGZVFWFLSA-N 1 1 376.840 3.918 20 5 GHBDMO O=[N+]([O-])c1cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000810019687 888087433 /nfs/dbraw/zinc/08/74/33/888087433.db2.gz ONCVDEZMTREBDY-KRWDZBQOSA-N 1 1 376.840 3.918 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234498 888261823 /nfs/dbraw/zinc/26/18/23/888261823.db2.gz SJCJJCHFXLOWKD-FQEVSTJZSA-N 1 1 383.448 3.695 20 5 GHBDMO C[C@@H]1Cc2[nH+]cn(Cc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2C[C@@H]1C ZINC000865369104 888315434 /nfs/dbraw/zinc/31/54/34/888315434.db2.gz JOABELWMVDSHAC-MNOVXSKESA-N 1 1 387.827 3.914 20 5 GHBDMO CCc1nc2c(s1)[C@@H]([N@H+](C)Cn1nc(C)c3cc([N+](=O)[O-])cnc31)CCC2 ZINC000763223102 888370832 /nfs/dbraw/zinc/37/08/32/888370832.db2.gz YTOLEDXAHOIVJL-HNNXBMFYSA-N 1 1 386.481 3.634 20 5 GHBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cn1nc(C)c3cc([N+](=O)[O-])cnc31)CCC2 ZINC000763223102 888370841 /nfs/dbraw/zinc/37/08/41/888370841.db2.gz YTOLEDXAHOIVJL-HNNXBMFYSA-N 1 1 386.481 3.634 20 5 GHBDMO Cc1cc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000760266836 888571460 /nfs/dbraw/zinc/57/14/60/888571460.db2.gz BMWWJOJBDLAMDH-UHFFFAOYSA-N 1 1 380.920 3.551 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001132307111 888580773 /nfs/dbraw/zinc/58/07/73/888580773.db2.gz LIWNRQIEAYJDGX-AEFFLSMTSA-N 1 1 399.516 3.571 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccc1Br ZINC000796110680 913286794 /nfs/dbraw/zinc/28/67/94/913286794.db2.gz BATKASLKANJESJ-KRWDZBQOSA-N 1 1 379.254 3.565 20 5 GHBDMO CCN(c1ccc(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1)C(C)C ZINC000796112464 913290060 /nfs/dbraw/zinc/29/00/60/913290060.db2.gz FQWGKDLAFPXUHS-UHFFFAOYSA-N 1 1 398.507 3.943 20 5 GHBDMO CCN(c1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1)C(C)C ZINC000796112464 913290078 /nfs/dbraw/zinc/29/00/78/913290078.db2.gz FQWGKDLAFPXUHS-UHFFFAOYSA-N 1 1 398.507 3.943 20 5 GHBDMO C[C@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532839776 889058127 /nfs/dbraw/zinc/05/81/27/889058127.db2.gz MBHGJOZJPZNNLX-INIZCTEOSA-N 1 1 384.480 3.866 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)c2)cc1 ZINC000811782851 889957425 /nfs/dbraw/zinc/95/74/25/889957425.db2.gz SRVYSMHSDHMBGY-QFIPXVFZSA-N 1 1 390.443 3.886 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454969207 890078846 /nfs/dbraw/zinc/07/88/46/890078846.db2.gz YVYLWAYHOVPWOB-YRNRMSPPSA-N 1 1 382.464 3.618 20 5 GHBDMO CC(C)[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccc(F)c1 ZINC000533252308 890098823 /nfs/dbraw/zinc/09/88/23/890098823.db2.gz LFTIJERMTCRUKC-UHFFFAOYSA-N 1 1 387.411 3.943 20 5 GHBDMO O=C(CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533271191 890135352 /nfs/dbraw/zinc/13/53/52/890135352.db2.gz HMRONPPVTFSITO-SFHVURJKSA-N 1 1 388.512 3.511 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000795106405 890274656 /nfs/dbraw/zinc/27/46/56/890274656.db2.gz JXHKTJBWGUJIAC-RHSMWYFYSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000795106405 890274672 /nfs/dbraw/zinc/27/46/72/890274672.db2.gz JXHKTJBWGUJIAC-RHSMWYFYSA-N 1 1 379.432 3.565 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000533429137 890540924 /nfs/dbraw/zinc/54/09/24/890540924.db2.gz NGGJOQMIGWDKDU-XWIAVFTESA-N 1 1 395.887 3.712 20 5 GHBDMO CC(C)(CCc1noc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1)[N+](=O)[O-] ZINC000812813665 890973701 /nfs/dbraw/zinc/97/37/01/890973701.db2.gz PCTDOVRPYJYCPV-HNNXBMFYSA-N 1 1 376.432 3.576 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000872035661 891129019 /nfs/dbraw/zinc/12/90/19/891129019.db2.gz XYBSSALABSNWLY-OAHLLOKOSA-N 1 1 379.526 3.612 20 5 GHBDMO COc1ccc([C@H](C)CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813170204 891330229 /nfs/dbraw/zinc/33/02/29/891330229.db2.gz JSUITDLNDAVEQA-IERDGZPVSA-N 1 1 398.459 3.915 20 5 GHBDMO COc1ccc([C@H](C)CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813170204 891330245 /nfs/dbraw/zinc/33/02/45/891330245.db2.gz JSUITDLNDAVEQA-IERDGZPVSA-N 1 1 398.459 3.915 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc(C(F)F)c1 ZINC000813173346 891335971 /nfs/dbraw/zinc/33/59/71/891335971.db2.gz ZUTIDIOFGBPASG-KRWDZBQOSA-N 1 1 376.359 3.964 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc(C(F)F)c1 ZINC000813173346 891335988 /nfs/dbraw/zinc/33/59/88/891335988.db2.gz ZUTIDIOFGBPASG-KRWDZBQOSA-N 1 1 376.359 3.964 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000497455845 891626723 /nfs/dbraw/zinc/62/67/23/891626723.db2.gz IQXROIJKTQMJGC-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813469186 891666421 /nfs/dbraw/zinc/66/64/21/891666421.db2.gz PIFDORBDEWHMSX-LBPRGKRZSA-N 1 1 386.279 3.706 20 5 GHBDMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917615945 892320508 /nfs/dbraw/zinc/32/05/08/892320508.db2.gz XXAWOBSWWPNAEF-LBPRGKRZSA-N 1 1 379.258 3.812 20 5 GHBDMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917615945 892320524 /nfs/dbraw/zinc/32/05/24/892320524.db2.gz XXAWOBSWWPNAEF-LBPRGKRZSA-N 1 1 379.258 3.812 20 5 GHBDMO C[N@@H+](CCN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)Cc1ccccc1 ZINC001185290556 913782936 /nfs/dbraw/zinc/78/29/36/913782936.db2.gz JJRAMHIOIPKBJF-UHFFFAOYSA-N 1 1 388.899 3.502 20 5 GHBDMO CC(C)(O)c1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cc1 ZINC000877408764 893595253 /nfs/dbraw/zinc/59/52/53/893595253.db2.gz SYRSIUKXCGCDQS-UHFFFAOYSA-N 1 1 385.283 3.936 20 5 GHBDMO COc1ccccc1[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609280852 893874529 /nfs/dbraw/zinc/87/45/29/893874529.db2.gz QSLKNLZCUIIOJW-YLJYHZDGSA-N 1 1 386.448 3.570 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878162395 894062209 /nfs/dbraw/zinc/06/22/09/894062209.db2.gz DWPUYAVHJWWSSX-JSGCOSHPSA-N 1 1 393.875 3.603 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)o1 ZINC000878273055 894146809 /nfs/dbraw/zinc/14/68/09/894146809.db2.gz HXGJBACWPFGKOG-MRXNPFEDSA-N 1 1 379.420 3.721 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)o1 ZINC000878273055 894146820 /nfs/dbraw/zinc/14/68/20/894146820.db2.gz HXGJBACWPFGKOG-MRXNPFEDSA-N 1 1 379.420 3.721 20 5 GHBDMO CCOC1(C)CC[NH+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878639485 894475228 /nfs/dbraw/zinc/47/52/28/894475228.db2.gz LVUVDCAKCYQEHC-UHFFFAOYSA-N 1 1 380.832 3.689 20 5 GHBDMO CCOC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878704373 894523947 /nfs/dbraw/zinc/52/39/47/894523947.db2.gz ZYWIAMYYEBBRFF-CYBMUJFWSA-N 1 1 380.832 3.689 20 5 GHBDMO CCOC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878704373 894523951 /nfs/dbraw/zinc/52/39/51/894523951.db2.gz ZYWIAMYYEBBRFF-CYBMUJFWSA-N 1 1 380.832 3.689 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537392393 894888817 /nfs/dbraw/zinc/88/88/17/894888817.db2.gz JCQGZNKALACERH-LSDHHAIUSA-N 1 1 381.839 3.757 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537392393 894888829 /nfs/dbraw/zinc/88/88/29/894888829.db2.gz JCQGZNKALACERH-LSDHHAIUSA-N 1 1 381.839 3.757 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC(Cc3nccs3)CC2)o1 ZINC000879206616 894905846 /nfs/dbraw/zinc/90/58/46/894905846.db2.gz PNECELHULASVHC-UHFFFAOYSA-N 1 1 385.449 3.556 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000816812566 895106683 /nfs/dbraw/zinc/10/66/83/895106683.db2.gz TTWFOHFKXXBDFJ-HNNXBMFYSA-N 1 1 377.828 3.798 20 5 GHBDMO C[C@@H](NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000565468307 895656797 /nfs/dbraw/zinc/65/67/97/895656797.db2.gz KDDUAUFADJSLMZ-CQSZACIVSA-N 1 1 375.856 3.600 20 5 GHBDMO C[C@@H](NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000565468307 895656803 /nfs/dbraw/zinc/65/68/03/895656803.db2.gz KDDUAUFADJSLMZ-CQSZACIVSA-N 1 1 375.856 3.600 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3Cc4ccccc4N4CCC[C@@H]4C3)o2)cc1 ZINC000880549416 895746491 /nfs/dbraw/zinc/74/64/91/895746491.db2.gz AFHUNEYBODEWGC-GOSISDBHSA-N 1 1 391.431 3.629 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3Cc4ccccc4N4CCC[C@@H]4C3)o2)cc1 ZINC000880549416 895746497 /nfs/dbraw/zinc/74/64/97/895746497.db2.gz AFHUNEYBODEWGC-GOSISDBHSA-N 1 1 391.431 3.629 20 5 GHBDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774911230 914012288 /nfs/dbraw/zinc/01/22/88/914012288.db2.gz XBKQVFVHQBYFDI-KRWDZBQOSA-N 1 1 395.419 3.826 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000883287817 897449367 /nfs/dbraw/zinc/44/93/67/897449367.db2.gz HLVNUQAVRKNGCD-CQSZACIVSA-N 1 1 398.282 3.955 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000509511651 898156466 /nfs/dbraw/zinc/15/64/66/898156466.db2.gz XLBLBZFDEVORQJ-GOEBONIOSA-N 1 1 378.432 3.641 20 5 GHBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC000509511756 898156494 /nfs/dbraw/zinc/15/64/94/898156494.db2.gz NXRQEIKAAAEVMQ-HXUWFJFHSA-N 1 1 396.491 3.667 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](N4CCOCC4)CC3)o2)cc1 ZINC000569470630 898695852 /nfs/dbraw/zinc/69/58/52/898695852.db2.gz DJQKUYBXSWKQAF-GOSISDBHSA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)o1 ZINC000289722338 914313632 /nfs/dbraw/zinc/31/36/32/914313632.db2.gz PJYZCXOGMANYMM-WFASDCNBSA-N 1 1 384.354 3.848 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000570558028 899386750 /nfs/dbraw/zinc/38/67/50/899386750.db2.gz VQWIRJIIFRPFLG-UHFFFAOYSA-N 1 1 382.464 3.815 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)co2)cc1 ZINC000119429721 899609080 /nfs/dbraw/zinc/60/90/80/899609080.db2.gz XYFWHESUKFDCHC-QZTJIDSGSA-N 1 1 383.404 3.931 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)co2)cc1 ZINC000119429721 899609090 /nfs/dbraw/zinc/60/90/90/899609090.db2.gz XYFWHESUKFDCHC-QZTJIDSGSA-N 1 1 383.404 3.931 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824696251 899771554 /nfs/dbraw/zinc/77/15/54/899771554.db2.gz JFWNLSMQVYZNLF-VMGRFDJRSA-N 1 1 383.286 3.873 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)cc1OC ZINC001171087269 900144838 /nfs/dbraw/zinc/14/48/38/900144838.db2.gz OYSXBOOBWBAQDW-UWWQBHOKSA-N 1 1 392.496 3.885 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC(C)(C)[C@H]3COC[C@H]32)cc1OC ZINC001171087269 900144843 /nfs/dbraw/zinc/14/48/43/900144843.db2.gz OYSXBOOBWBAQDW-UWWQBHOKSA-N 1 1 392.496 3.885 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000843858640 900254632 /nfs/dbraw/zinc/25/46/32/900254632.db2.gz SHPPTKBUBIFICJ-IBGZPJMESA-N 1 1 385.439 3.683 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000843904954 900318504 /nfs/dbraw/zinc/31/85/04/900318504.db2.gz TUIMGEOQQVQALK-HNNXBMFYSA-N 1 1 385.439 3.636 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000886699064 901233000 /nfs/dbraw/zinc/23/30/00/901233000.db2.gz SEVBHAHZDDAQND-CQSZACIVSA-N 1 1 389.477 3.681 20 5 GHBDMO COc1cc(C)c([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000263735240 902450812 /nfs/dbraw/zinc/45/08/12/902450812.db2.gz ZAHZDVGYKBYGQU-CYBMUJFWSA-N 1 1 388.420 3.638 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000778982364 902494686 /nfs/dbraw/zinc/49/46/86/902494686.db2.gz KXHMIYPWHDMESE-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000778982364 902494690 /nfs/dbraw/zinc/49/46/90/902494690.db2.gz KXHMIYPWHDMESE-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO Cn1cc([C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)CC2(C)C)cn1 ZINC000846933840 903315389 /nfs/dbraw/zinc/31/53/89/903315389.db2.gz XQEZHQHGKKRZRM-CQSZACIVSA-N 1 1 393.285 3.716 20 5 GHBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000601150423 903395703 /nfs/dbraw/zinc/39/57/03/903395703.db2.gz ZOYZRURBLWCRKZ-ALOPSCKCSA-N 1 1 383.423 3.659 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000578469579 903874226 /nfs/dbraw/zinc/87/42/26/903874226.db2.gz QAWZPEMNBBJYRF-PNPHSEOMSA-N 1 1 390.465 3.757 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000578469579 903874231 /nfs/dbraw/zinc/87/42/31/903874231.db2.gz QAWZPEMNBBJYRF-PNPHSEOMSA-N 1 1 390.465 3.757 20 5 GHBDMO CC[N@@H+](CCC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000578655513 904030720 /nfs/dbraw/zinc/03/07/20/904030720.db2.gz JBRXFWGYCKYNIF-UHFFFAOYSA-N 1 1 390.528 3.613 20 5 GHBDMO C[C@H](c1cccc(Nc2ncnc3sc([N+](=O)[O-])cc32)c1)[NH+]1CCOCC1 ZINC000578683111 904047829 /nfs/dbraw/zinc/04/78/29/904047829.db2.gz LKRLDJPOSOWVPV-GFCCVEGCSA-N 1 1 385.449 3.736 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000779160240 904921633 /nfs/dbraw/zinc/92/16/33/904921633.db2.gz GLDGRJMBQNIRPM-OJJSLQOQSA-N 1 1 375.469 3.843 20 5 GHBDMO Cc1cc(=O)oc2cc(OCC[N@H+](C)CCc3cccc([N+](=O)[O-])c3)ccc12 ZINC000801599847 921178387 /nfs/dbraw/zinc/17/83/87/921178387.db2.gz FPPXBATZPBOZLI-UHFFFAOYSA-N 1 1 382.416 3.563 20 5 GHBDMO Cc1cc(-n2c(C)cc(C(=O)C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)c2C)no1 ZINC000801601059 921179229 /nfs/dbraw/zinc/17/92/29/921179229.db2.gz AGVUYGVTLTUKHL-UHFFFAOYSA-N 1 1 396.447 3.656 20 5 GHBDMO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)c2C)no1 ZINC000801601059 921179234 /nfs/dbraw/zinc/17/92/34/921179234.db2.gz AGVUYGVTLTUKHL-UHFFFAOYSA-N 1 1 396.447 3.656 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cccc(Br)c1 ZINC000801601548 921179376 /nfs/dbraw/zinc/17/93/76/921179376.db2.gz JAADBTOQHWCNTF-QGZVFWFLSA-N 1 1 379.254 3.565 20 5 GHBDMO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172915511 905986756 /nfs/dbraw/zinc/98/67/56/905986756.db2.gz NPYZKAJVGQUJRU-LJQANCHMSA-N 1 1 382.460 3.918 20 5 GHBDMO C[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001172921645 905992428 /nfs/dbraw/zinc/99/24/28/905992428.db2.gz QJAXTGBSIMMTIA-BJZITVGISA-N 1 1 389.496 3.687 20 5 GHBDMO Cc1ccc(C[N@H+](C)C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cn1 ZINC001173021062 906098522 /nfs/dbraw/zinc/09/85/22/906098522.db2.gz YILCIKCIFSUYBB-UHFFFAOYSA-N 1 1 376.407 3.677 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c1F ZINC001173182414 906262963 /nfs/dbraw/zinc/26/29/63/906262963.db2.gz RPNUEGQSROGZOT-ZUZCIYMTSA-N 1 1 382.329 3.897 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c1F ZINC001173191490 906273710 /nfs/dbraw/zinc/27/37/10/906273710.db2.gz CNLPCENZEADORT-HUUCEWRRSA-N 1 1 389.427 3.530 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001173220808 906297964 /nfs/dbraw/zinc/29/79/64/906297964.db2.gz CQVAGGIKBITGJB-HOTGVXAUSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001173223118 906302931 /nfs/dbraw/zinc/30/29/31/906302931.db2.gz YARIGJFMEXVNAU-JKSUJKDBSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001173224240 906305302 /nfs/dbraw/zinc/30/53/02/906305302.db2.gz DCSHAOZTIHYRRF-QAPCUYQASA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001173228582 906312545 /nfs/dbraw/zinc/31/25/45/906312545.db2.gz RLNXHHATKNNULJ-BUVFEPMLSA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001173228582 906312564 /nfs/dbraw/zinc/31/25/64/906312564.db2.gz RLNXHHATKNNULJ-BUVFEPMLSA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001173228582 906312581 /nfs/dbraw/zinc/31/25/81/906312581.db2.gz RLNXHHATKNNULJ-BUVFEPMLSA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001173233432 906320653 /nfs/dbraw/zinc/32/06/53/906320653.db2.gz WNOMMNPRETWAHS-RVKKMQEKSA-N 1 1 377.485 3.903 20 5 GHBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180523115 906785634 /nfs/dbraw/zinc/78/56/34/906785634.db2.gz ZVWRQFBNWBEGFI-QGZVFWFLSA-N 1 1 381.436 3.969 20 5 GHBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(N2CCOC2=O)cc1 ZINC000181279850 906962628 /nfs/dbraw/zinc/96/26/28/906962628.db2.gz QBXOYWYRQJJAAL-GFCCVEGCSA-N 1 1 382.376 3.543 20 5 GHBDMO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001175821625 907778216 /nfs/dbraw/zinc/77/82/16/907778216.db2.gz MCRONBNBBLSLLS-OAHLLOKOSA-N 1 1 389.402 3.740 20 5 GHBDMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000185663892 907808667 /nfs/dbraw/zinc/80/86/67/907808667.db2.gz KHWXQNHONNYRRX-LBPRGKRZSA-N 1 1 378.812 3.651 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H]1C ZINC001176916535 908321997 /nfs/dbraw/zinc/32/19/97/908321997.db2.gz YSCMQINXKPLEAM-OVSNFEJUSA-N 1 1 382.432 3.541 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H]1C ZINC001176916535 908322008 /nfs/dbraw/zinc/32/20/08/908322008.db2.gz YSCMQINXKPLEAM-OVSNFEJUSA-N 1 1 382.432 3.541 20 5 GHBDMO O=C(C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC000194968933 908946162 /nfs/dbraw/zinc/94/61/62/908946162.db2.gz QNJXUTCOXRFHNA-UHFFFAOYSA-N 1 1 383.423 3.535 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000779859881 909051075 /nfs/dbraw/zinc/05/10/75/909051075.db2.gz ZRJTWSCDHILRJY-OAHLLOKOSA-N 1 1 379.258 3.527 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H]3/C=C\c3ccccc3)n2)cc1 ZINC000779890407 909063051 /nfs/dbraw/zinc/06/30/51/909063051.db2.gz WMYNGKYLKSFBRN-POGDKVGISA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@H]3/C=C\c3ccccc3)n2)cc1 ZINC000779890407 909063069 /nfs/dbraw/zinc/06/30/69/909063069.db2.gz WMYNGKYLKSFBRN-POGDKVGISA-N 1 1 375.432 3.989 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266454890 909172149 /nfs/dbraw/zinc/17/21/49/909172149.db2.gz YDSXDMCNJQJZJU-QGZVFWFLSA-N 1 1 392.459 3.670 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266454886 909172341 /nfs/dbraw/zinc/17/23/41/909172341.db2.gz YDSXDMCNJQJZJU-KRWDZBQOSA-N 1 1 392.459 3.670 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000266455954 909173704 /nfs/dbraw/zinc/17/37/04/909173704.db2.gz YGALMVJWPPYKKF-QGZVFWFLSA-N 1 1 393.443 3.935 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267409264 909486796 /nfs/dbraw/zinc/48/67/96/909486796.db2.gz ZFEGVZFCRCRBLH-CYBMUJFWSA-N 1 1 393.896 3.952 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001180267077 910054910 /nfs/dbraw/zinc/05/49/10/910054910.db2.gz NLYBCWHQMDDZNO-NRFANRHFSA-N 1 1 389.496 3.990 20 5 GHBDMO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001181264870 910664327 /nfs/dbraw/zinc/66/43/27/910664327.db2.gz BOHONXDWLROPPF-UHFFFAOYSA-N 1 1 376.420 3.563 20 5 GHBDMO Cc1nc2sccn2c1C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271177685 910803693 /nfs/dbraw/zinc/80/36/93/910803693.db2.gz XOHLOKIXCCSFCQ-UHFFFAOYSA-N 1 1 396.476 3.645 20 5 GHBDMO Cc1nc2sccn2c1C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271177685 910803699 /nfs/dbraw/zinc/80/36/99/910803699.db2.gz XOHLOKIXCCSFCQ-UHFFFAOYSA-N 1 1 396.476 3.645 20 5 GHBDMO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000284041998 911730059 /nfs/dbraw/zinc/73/00/59/911730059.db2.gz IZWGWXVQTZLGII-LBPRGKRZSA-N 1 1 375.381 3.679 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001186905932 914892746 /nfs/dbraw/zinc/89/27/46/914892746.db2.gz NZNJGBUNLZOJHF-ARFHVFGLSA-N 1 1 379.464 3.959 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)c2C)c([N+](=O)[O-])c1 ZINC000303935966 915322401 /nfs/dbraw/zinc/32/24/01/915322401.db2.gz ROIVVFCMVXXYPI-IBGZPJMESA-N 1 1 383.448 3.996 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)c2C)c([N+](=O)[O-])c1 ZINC000303935966 915322424 /nfs/dbraw/zinc/32/24/24/915322424.db2.gz ROIVVFCMVXXYPI-IBGZPJMESA-N 1 1 383.448 3.996 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000303942820 915322634 /nfs/dbraw/zinc/32/26/34/915322634.db2.gz ZBPZQYMLYRAFPM-AWEZNQCLSA-N 1 1 388.855 3.986 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000303942820 915322653 /nfs/dbraw/zinc/32/26/53/915322653.db2.gz ZBPZQYMLYRAFPM-AWEZNQCLSA-N 1 1 388.855 3.986 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000292111652 915521083 /nfs/dbraw/zinc/52/10/83/915521083.db2.gz HAFAHMWCMXAYBZ-HUUCEWRRSA-N 1 1 385.468 3.512 20 5 GHBDMO Cc1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nc(N2CCCC2)n1 ZINC000293714159 916343133 /nfs/dbraw/zinc/34/31/33/916343133.db2.gz PCFYQPKEGZZNIT-IBGZPJMESA-N 1 1 381.480 3.806 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC001190541322 917398871 /nfs/dbraw/zinc/39/88/71/917398871.db2.gz OYYISLNWGAKMTK-IAGOWNOFSA-N 1 1 390.867 3.695 20 5 GHBDMO Cc1ccc(N2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000363017521 917626669 /nfs/dbraw/zinc/62/66/69/917626669.db2.gz FCKWOKCCLZTJKT-UHFFFAOYSA-N 1 1 393.447 3.666 20 5 GHBDMO Cc1ccc(N2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000363017521 917626677 /nfs/dbraw/zinc/62/66/77/917626677.db2.gz FCKWOKCCLZTJKT-UHFFFAOYSA-N 1 1 393.447 3.666 20 5 GHBDMO COc1ccc(C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])Cc2ccccc2)cc1 ZINC001191646452 918115822 /nfs/dbraw/zinc/11/58/22/918115822.db2.gz NHMAISQYJCWFFD-UHFFFAOYSA-N 1 1 380.448 3.811 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](CCCO)Cc1ccccc1 ZINC001192183113 918531660 /nfs/dbraw/zinc/53/16/60/918531660.db2.gz FDRYVVDCIYAWAB-UHFFFAOYSA-N 1 1 379.254 3.742 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCCO)Cc1ccccc1 ZINC001192183113 918531664 /nfs/dbraw/zinc/53/16/64/918531664.db2.gz FDRYVVDCIYAWAB-UHFFFAOYSA-N 1 1 379.254 3.742 20 5 GHBDMO CC(C)Oc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001275867756 918962167 /nfs/dbraw/zinc/96/21/67/918962167.db2.gz BHKTVBGJIZYKSY-KRWDZBQOSA-N 1 1 397.475 3.729 20 5 GHBDMO CC(C)Oc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001275867756 918962170 /nfs/dbraw/zinc/96/21/70/918962170.db2.gz BHKTVBGJIZYKSY-KRWDZBQOSA-N 1 1 397.475 3.729 20 5 GHBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000800866800 920543561 /nfs/dbraw/zinc/54/35/61/920543561.db2.gz SYILOUUXHAQADW-BJWYYQGGSA-N 1 1 391.427 3.559 20 5 GHBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000800866800 920543568 /nfs/dbraw/zinc/54/35/68/920543568.db2.gz SYILOUUXHAQADW-BJWYYQGGSA-N 1 1 391.427 3.559 20 5 GHBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000901135946 920860197 /nfs/dbraw/zinc/86/01/97/920860197.db2.gz SGPLIDZLGNIHNI-SKDRFNHKSA-N 1 1 390.242 3.597 20 5 GHBDMO Cn1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(Br)n1 ZINC000903187512 922842469 /nfs/dbraw/zinc/84/24/69/922842469.db2.gz CZWZYKPOFAMICK-AWEZNQCLSA-N 1 1 379.258 3.603 20 5 GHBDMO COc1cc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)c2nccn2C)cc([N+](=O)[O-])c1 ZINC000903192910 922843518 /nfs/dbraw/zinc/84/35/18/922843518.db2.gz BBAGIBMWSYNBDW-QRWLVFNGSA-N 1 1 380.448 3.972 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](Oc4ccccc4)C3)o2)cc1 ZINC000369293695 923256542 /nfs/dbraw/zinc/25/65/42/923256542.db2.gz NEIUTPMEZLEJOF-GOSISDBHSA-N 1 1 380.404 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](Oc4ccccc4)C3)o2)cc1 ZINC000369293695 923256547 /nfs/dbraw/zinc/25/65/47/923256547.db2.gz NEIUTPMEZLEJOF-GOSISDBHSA-N 1 1 380.404 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H](O)c3ccccc3)o2)cc1 ZINC000369827942 923651875 /nfs/dbraw/zinc/65/18/75/923651875.db2.gz BHQJRMCAGHDUCD-QUCCMNQESA-N 1 1 394.431 3.733 20 5 GHBDMO COC(=O)c1nc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)ccc1Cl ZINC000826981101 924470748 /nfs/dbraw/zinc/47/07/48/924470748.db2.gz JDKGPIHOWILKQE-UHFFFAOYSA-N 1 1 377.828 3.843 20 5 GHBDMO O=C(CC[N@H+](Cc1ccco1)Cc1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000409851988 925068199 /nfs/dbraw/zinc/06/81/99/925068199.db2.gz BFTDIFFJWMVGLL-UHFFFAOYSA-N 1 1 380.404 3.614 20 5 GHBDMO O=C(CC[N@@H+](Cc1ccco1)Cc1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000409851988 925068208 /nfs/dbraw/zinc/06/82/08/925068208.db2.gz BFTDIFFJWMVGLL-UHFFFAOYSA-N 1 1 380.404 3.614 20 5 GHBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000410046632 925271523 /nfs/dbraw/zinc/27/15/23/925271523.db2.gz DEOWFXCEXADXLK-FQEVSTJZSA-N 1 1 381.476 3.798 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000372311270 925328274 /nfs/dbraw/zinc/32/82/74/925328274.db2.gz ISJTXIOQMGXTBX-UHFFFAOYSA-N 1 1 379.460 3.723 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000411134260 926110011 /nfs/dbraw/zinc/11/00/11/926110011.db2.gz JDEDRSDQUVJCKH-SFHVURJKSA-N 1 1 399.447 3.778 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000411304702 926287397 /nfs/dbraw/zinc/28/73/97/926287397.db2.gz WRHPJFBFYJSULA-RHSMWYFYSA-N 1 1 387.436 3.998 20 5 GHBDMO COC(=O)NC1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000827933961 926323608 /nfs/dbraw/zinc/32/36/08/926323608.db2.gz GOYSAMGXYCERIR-UHFFFAOYSA-N 1 1 398.463 3.683 20 5 GHBDMO CCC[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCc2ccccc21 ZINC000726590212 926747420 /nfs/dbraw/zinc/74/74/20/926747420.db2.gz UAEVIEXOXBTILM-LJQANCHMSA-N 1 1 379.416 3.548 20 5 GHBDMO CCC[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCc2ccccc21 ZINC000726590212 926747422 /nfs/dbraw/zinc/74/74/22/926747422.db2.gz UAEVIEXOXBTILM-LJQANCHMSA-N 1 1 379.416 3.548 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H](O)C[C@H]3c3ccccc3)o2)c1 ZINC000411958643 926943754 /nfs/dbraw/zinc/94/37/54/926943754.db2.gz XNSICHXKMGZULZ-OALUTQOASA-N 1 1 379.416 3.600 20 5 GHBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000749921126 927349935 /nfs/dbraw/zinc/34/99/35/927349935.db2.gz VEOYHVDXMMETAS-UHFFFAOYSA-N 1 1 379.888 3.976 20 5 GHBDMO COc1ccc(OC)c(C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000750092517 927430897 /nfs/dbraw/zinc/43/08/97/927430897.db2.gz NOAKJBLEFLEVEO-IBGZPJMESA-N 1 1 388.464 3.946 20 5 GHBDMO CN1CC[NH+](Cc2ccc(CNc3nccc4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000413060676 928154694 /nfs/dbraw/zinc/15/46/94/928154694.db2.gz NZKQHQBZXFTWMT-UHFFFAOYSA-N 1 1 391.475 3.503 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000752082528 928599170 /nfs/dbraw/zinc/59/91/70/928599170.db2.gz CGWYJVREDSYZAZ-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000752082528 928599174 /nfs/dbraw/zinc/59/91/74/928599174.db2.gz CGWYJVREDSYZAZ-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467030225 928616242 /nfs/dbraw/zinc/61/62/42/928616242.db2.gz AQIKSRUNODKPHC-UHFFFAOYSA-N 1 1 392.253 3.980 20 5 GHBDMO COc1cc(C[N@H+]2CCOCC3(CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000544034311 928715068 /nfs/dbraw/zinc/71/50/68/928715068.db2.gz VDMZVYSDBLLUCJ-UHFFFAOYSA-N 1 1 398.459 3.795 20 5 GHBDMO COc1ccc(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000467165063 928777934 /nfs/dbraw/zinc/77/79/34/928777934.db2.gz KHHPMAHQDIBZAN-UHFFFAOYSA-N 1 1 383.448 3.730 20 5 GHBDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544122337 928833230 /nfs/dbraw/zinc/83/32/30/928833230.db2.gz VEHMCBSGYQEKEG-OAHLLOKOSA-N 1 1 392.477 3.507 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544183873 928900643 /nfs/dbraw/zinc/90/06/43/928900643.db2.gz PLTJSPGDQQZOCT-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000544393496 929126850 /nfs/dbraw/zinc/12/68/50/929126850.db2.gz SOMDHMSEZGHIRY-DOTOQJQBSA-N 1 1 377.448 3.861 20 5 GHBDMO Cc1c(Br)c(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000544395984 929128410 /nfs/dbraw/zinc/12/84/10/929128410.db2.gz LSADZNGJFIVHEU-XJKSGUPXSA-N 1 1 391.269 3.918 20 5 GHBDMO Cc1c(Br)c(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000544395984 929128415 /nfs/dbraw/zinc/12/84/15/929128415.db2.gz LSADZNGJFIVHEU-XJKSGUPXSA-N 1 1 391.269 3.918 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000467691386 929307407 /nfs/dbraw/zinc/30/74/07/929307407.db2.gz NQSOTDKBJJJMQE-YLJYHZDGSA-N 1 1 396.491 3.566 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000467717223 929334264 /nfs/dbraw/zinc/33/42/64/929334264.db2.gz ZTYIHOOZNWSCHK-KUHUBIRLSA-N 1 1 381.432 3.600 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000467719683 929336188 /nfs/dbraw/zinc/33/61/88/929336188.db2.gz DSJYOROQZFTJPW-IFXJQAMLSA-N 1 1 380.448 3.551 20 5 GHBDMO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000469561850 929990858 /nfs/dbraw/zinc/99/08/58/929990858.db2.gz IKAANWVZQTYIDK-NRFANRHFSA-N 1 1 399.491 3.708 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000469561850 929990860 /nfs/dbraw/zinc/99/08/60/929990860.db2.gz IKAANWVZQTYIDK-NRFANRHFSA-N 1 1 399.491 3.708 20 5 GHBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000758264455 929993945 /nfs/dbraw/zinc/99/39/45/929993945.db2.gz HNBTUGNKANYHDT-FXAWDEMLSA-N 1 1 384.411 3.893 20 5 GHBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000758264457 929994152 /nfs/dbraw/zinc/99/41/52/929994152.db2.gz HNBTUGNKANYHDT-XLIONFOSSA-N 1 1 384.411 3.893 20 5 GHBDMO Nc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)cc1[N+](=O)[O-] ZINC000546260235 930001247 /nfs/dbraw/zinc/00/12/47/930001247.db2.gz SRMZIQVGHHUZJW-INIZCTEOSA-N 1 1 379.420 3.607 20 5 GHBDMO COc1cc(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000469768877 930148658 /nfs/dbraw/zinc/14/86/58/930148658.db2.gz MGCHPJDDFKHGBD-IAGOWNOFSA-N 1 1 383.492 3.850 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000470139543 930399940 /nfs/dbraw/zinc/39/99/40/930399940.db2.gz DIOOTGPTIPAUEY-PBHICJAKSA-N 1 1 386.427 3.909 20 5 GHBDMO CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546904652 930521141 /nfs/dbraw/zinc/52/11/41/930521141.db2.gz AMJBWQTZMVNYTP-QGZVFWFLSA-N 1 1 392.459 3.813 20 5 GHBDMO Cc1cccc(OCCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000780762315 930592747 /nfs/dbraw/zinc/59/27/47/930592747.db2.gz GBUZTCQLBPHLFN-FQEVSTJZSA-N 1 1 380.448 3.785 20 5 GHBDMO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470658760 930794800 /nfs/dbraw/zinc/79/48/00/930794800.db2.gz KSXVLFMJIOENSN-QGZVFWFLSA-N 1 1 387.867 3.985 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000470969033 931065356 /nfs/dbraw/zinc/06/53/56/931065356.db2.gz UBXPPYGFRJSMFD-SJLPKXTDSA-N 1 1 397.475 3.634 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000470981847 931074967 /nfs/dbraw/zinc/07/49/67/931074967.db2.gz FASMGHJQGSMQNB-KRWDZBQOSA-N 1 1 397.475 3.730 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccccc1SC ZINC000470990655 931081179 /nfs/dbraw/zinc/08/11/79/931081179.db2.gz BAUPIRNSFBWUDM-UHFFFAOYSA-N 1 1 389.477 3.786 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)[nH+]c1C ZINC000924316767 931321574 /nfs/dbraw/zinc/32/15/74/931321574.db2.gz NKRPINMGPYKZIR-UHFFFAOYSA-N 1 1 376.844 3.537 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000783566030 931583765 /nfs/dbraw/zinc/58/37/65/931583765.db2.gz CRCLLEAZDIKRFB-SWLSCSKDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000783566030 931583772 /nfs/dbraw/zinc/58/37/72/931583772.db2.gz CRCLLEAZDIKRFB-SWLSCSKDSA-N 1 1 383.876 3.983 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000784008808 931754371 /nfs/dbraw/zinc/75/43/71/931754371.db2.gz INQJYLRHNAIPRC-CXAGYDPISA-N 1 1 383.404 3.552 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000784008808 931754377 /nfs/dbraw/zinc/75/43/77/931754377.db2.gz INQJYLRHNAIPRC-CXAGYDPISA-N 1 1 383.404 3.552 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000558061759 931821732 /nfs/dbraw/zinc/82/17/32/931821732.db2.gz HXTDGQXFBWSKQS-IBGZPJMESA-N 1 1 399.447 3.560 20 5 GHBDMO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000784487476 931911872 /nfs/dbraw/zinc/91/18/72/931911872.db2.gz OQKVIOYZWOTZRR-IBGZPJMESA-N 1 1 389.883 3.818 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000784509274 931918097 /nfs/dbraw/zinc/91/80/97/931918097.db2.gz MDQWOAPIZZAZRI-JKIFEVAISA-N 1 1 393.459 3.859 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000784512944 931920276 /nfs/dbraw/zinc/92/02/76/931920276.db2.gz WWDLSQAPYJLWCO-DJIMGWMZSA-N 1 1 375.469 3.720 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000558462875 932015650 /nfs/dbraw/zinc/01/56/50/932015650.db2.gz PXULMEXJZDXURS-KRWDZBQOSA-N 1 1 376.840 3.918 20 5 GHBDMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000558740281 932204603 /nfs/dbraw/zinc/20/46/03/932204603.db2.gz XRAJASWYWWCRIB-ACDBMABISA-N 1 1 391.471 3.895 20 5 GHBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-n2cccn2)c(F)c1 ZINC000559332534 932607345 /nfs/dbraw/zinc/60/73/45/932607345.db2.gz XBDKMBQKECNWQS-LBPRGKRZSA-N 1 1 381.367 3.912 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000798542451 932698731 /nfs/dbraw/zinc/69/87/31/932698731.db2.gz VDZMVOLPVYRMHS-UHFFFAOYSA-N 1 1 384.436 3.552 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC001116823189 933777067 /nfs/dbraw/zinc/77/70/67/933777067.db2.gz DBZVGNZIFIJVIC-UHFFFAOYSA-N 1 1 388.439 3.702 20 5 GHBDMO CN1CCN(c2ccccc2C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001118026277 934080279 /nfs/dbraw/zinc/08/02/79/934080279.db2.gz DJRBPBWCLWKKMO-QFIPXVFZSA-N 1 1 394.519 3.904 20 5 GHBDMO CC1CCN(c2ccc(-c3nc([C@@H]([NH3+])c4ccccc4)no3)cc2[N+](=O)[O-])CC1 ZINC001118171415 934100742 /nfs/dbraw/zinc/10/07/42/934100742.db2.gz AMYBGDHAWQDOFX-IBGZPJMESA-N 1 1 393.447 3.929 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[NH+](Cc4ccsc4)CC3)c2c1 ZINC001118516772 934184915 /nfs/dbraw/zinc/18/49/15/934184915.db2.gz NMRLZAPNKWKQRO-UHFFFAOYSA-N 1 1 389.868 3.575 20 5 GHBDMO COc1cc(C[NH+]2CCC(c3ncco3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000931449968 934565479 /nfs/dbraw/zinc/56/54/79/934565479.db2.gz KOHJCAZVBDLQHT-UHFFFAOYSA-N 1 1 383.351 3.572 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000830341493 935932982 /nfs/dbraw/zinc/93/29/82/935932982.db2.gz IDLQHQILQZGZIF-HNNXBMFYSA-N 1 1 377.460 3.851 20 5 GHBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544845724 1015092301 /nfs/dbraw/zinc/09/23/01/1015092301.db2.gz JFVWGWKCZWIDBK-QGZVFWFLSA-N 1 1 386.427 3.862 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545828504 1016467223 /nfs/dbraw/zinc/46/72/23/1016467223.db2.gz YAMKYKLJNKPHBU-NVXWUHKLSA-N 1 1 399.466 3.963 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000470535655 1016815725 /nfs/dbraw/zinc/81/57/25/1016815725.db2.gz HBEQIFWMWMZRDR-GFCCVEGCSA-N 1 1 378.375 3.880 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000470535655 1016815744 /nfs/dbraw/zinc/81/57/44/1016815744.db2.gz HBEQIFWMWMZRDR-GFCCVEGCSA-N 1 1 378.375 3.880 20 5 GHBDMO CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470679845 1016853686 /nfs/dbraw/zinc/85/36/86/1016853686.db2.gz BHCLJAOBHSYLMW-GOSISDBHSA-N 1 1 392.459 3.813 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470824726 1016901563 /nfs/dbraw/zinc/90/15/63/1016901563.db2.gz HVUJWDSGDPKETB-ZOBUZTSGSA-N 1 1 392.500 3.965 20 5 GHBDMO Cc1cc[nH+]c(N2CCC(Oc3ccc(Br)nc3[N+](=O)[O-])CC2)c1 ZINC001227258801 1032345343 /nfs/dbraw/zinc/34/53/43/1032345343.db2.gz ASOTZBGDDZOHTD-UHFFFAOYSA-N 1 1 393.241 3.504 20 5 GHBDMO Cc1cc(C2CC[NH+](Cn3nccc3[N+](=O)[O-])CC2)ccc1Br ZINC000777576241 1017153158 /nfs/dbraw/zinc/15/31/58/1017153158.db2.gz OSCGGYPCNNHNCY-UHFFFAOYSA-N 1 1 379.258 3.699 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000560531403 1017654358 /nfs/dbraw/zinc/65/43/58/1017654358.db2.gz YCWBWWFKIMSQRT-APWZRJJASA-N 1 1 385.512 3.518 20 5 GHBDMO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@H+]1CCc2sccc2C1 ZINC000561142225 1017802496 /nfs/dbraw/zinc/80/24/96/1017802496.db2.gz SIAPEWYYURLVCI-JTQLQIEISA-N 1 1 375.479 3.520 20 5 GHBDMO COc1cc(C[N@H+]2CCSCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000191813602 1020815348 /nfs/dbraw/zinc/81/53/48/1020815348.db2.gz ZZZNPAVCRQNSLN-LLVKDONJSA-N 1 1 394.415 3.872 20 5 GHBDMO COc1c(O)ccc(C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)c1[N+](=O)[O-] ZINC001204515948 1032943006 /nfs/dbraw/zinc/94/30/06/1032943006.db2.gz QRYUXDLLCZGCJQ-UHFFFAOYSA-N 1 1 386.448 3.969 20 5 GHBDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796104245 1021108581 /nfs/dbraw/zinc/10/85/81/1021108581.db2.gz GPEXMBJIZRGGKD-QGZVFWFLSA-N 1 1 384.354 3.701 20 5 GHBDMO CCOc1nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001156315953 1032977636 /nfs/dbraw/zinc/97/76/36/1032977636.db2.gz DIAPLXRWWXHWPB-OKZBNKHCSA-N 1 1 382.464 3.711 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001156341431 1032994622 /nfs/dbraw/zinc/99/46/22/1032994622.db2.gz HTXHDUCDOOPLJS-KKSFZXQISA-N 1 1 391.475 3.885 20 5 GHBDMO C[C@@H]([C@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])c1ccccc1)[NH+]1CCCC1 ZINC001228602382 1033000558 /nfs/dbraw/zinc/00/05/58/1033000558.db2.gz ALLBLUFMRNKWBS-GUYCJALGSA-N 1 1 384.436 3.572 20 5 GHBDMO CC(C)(CCC(=O)OC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)[N+](=O)[O-] ZINC000835153506 1021929536 /nfs/dbraw/zinc/92/95/36/1021929536.db2.gz QODZZPRHRVVDSU-AWEZNQCLSA-N 1 1 384.423 3.556 20 5 GHBDMO Cc1nc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)cc1[N+](=O)[O-] ZINC001228621426 1033013033 /nfs/dbraw/zinc/01/30/33/1033013033.db2.gz SBIMBVZHVQQGAL-CQSZACIVSA-N 1 1 392.253 3.714 20 5 GHBDMO Cc1nc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)cc1[N+](=O)[O-] ZINC001228621426 1033013043 /nfs/dbraw/zinc/01/30/43/1033013043.db2.gz SBIMBVZHVQQGAL-CQSZACIVSA-N 1 1 392.253 3.714 20 5 GHBDMO CCOc1cc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000755067668 1023057206 /nfs/dbraw/zinc/05/72/06/1023057206.db2.gz QLGSGGQMBLAGAE-GDBMZVCRSA-N 1 1 393.484 3.729 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC001228806901 1033109648 /nfs/dbraw/zinc/10/96/48/1033109648.db2.gz RMAHTUKYOZTOBK-CRAIPNDOSA-N 1 1 394.427 3.991 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000836782133 1023363323 /nfs/dbraw/zinc/36/33/23/1023363323.db2.gz WTHQGDNMVJMVTH-KGLIPLIRSA-N 1 1 379.888 3.939 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755866774 1023409824 /nfs/dbraw/zinc/40/98/24/1023409824.db2.gz CHFBMYRMABEYTG-NVXWUHKLSA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000756935868 1023874985 /nfs/dbraw/zinc/87/49/85/1023874985.db2.gz BDLQEQCADUYOMO-AWEZNQCLSA-N 1 1 390.871 3.568 20 5 GHBDMO CCCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ncsc2C1 ZINC000830816691 1024163612 /nfs/dbraw/zinc/16/36/12/1024163612.db2.gz IXPCLXSQHXVDRE-SJLPKXTDSA-N 1 1 375.494 3.744 20 5 GHBDMO CCCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ncsc2C1 ZINC000830816690 1024163950 /nfs/dbraw/zinc/16/39/50/1024163950.db2.gz IXPCLXSQHXVDRE-FUHWJXTLSA-N 1 1 375.494 3.744 20 5 GHBDMO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001228964398 1033203203 /nfs/dbraw/zinc/20/32/03/1033203203.db2.gz WCTDDAKJLVXWES-OAHLLOKOSA-N 1 1 390.823 3.688 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001205007087 1033204145 /nfs/dbraw/zinc/20/41/45/1033204145.db2.gz FFACCJPPZNTFQM-HOTGVXAUSA-N 1 1 377.485 3.947 20 5 GHBDMO COC(=O)c1c(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cccc1[N+](=O)[O-] ZINC001229049846 1033249886 /nfs/dbraw/zinc/24/98/86/1033249886.db2.gz NYVRNAKKDLKMIQ-YQVWRLOYSA-N 1 1 396.443 3.671 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1F ZINC000831936280 1025037698 /nfs/dbraw/zinc/03/76/98/1025037698.db2.gz KGIVQCNCPAANSY-CHWSQXEVSA-N 1 1 381.423 3.564 20 5 GHBDMO COc1cc(C[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)ccc1[N+](=O)[O-] ZINC000839155096 1025655618 /nfs/dbraw/zinc/65/56/18/1025655618.db2.gz KZJILVVOCCSPKI-HXUWFJFHSA-N 1 1 392.402 3.827 20 5 GHBDMO COC(=O)Cc1ccc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001162303074 1025707018 /nfs/dbraw/zinc/70/70/18/1025707018.db2.gz ITXHQCHGDJIBQX-LJQANCHMSA-N 1 1 397.475 3.634 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000832671287 1025821981 /nfs/dbraw/zinc/82/19/81/1025821981.db2.gz CGMSBSCHVINRMR-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000832671287 1025821995 /nfs/dbraw/zinc/82/19/95/1025821995.db2.gz CGMSBSCHVINRMR-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO CC[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001162726047 1025894314 /nfs/dbraw/zinc/89/43/14/1025894314.db2.gz VPBRTVIHCIOTDU-FXAWDEMLSA-N 1 1 395.463 3.563 20 5 GHBDMO CC[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001162726047 1025894329 /nfs/dbraw/zinc/89/43/29/1025894329.db2.gz VPBRTVIHCIOTDU-FXAWDEMLSA-N 1 1 395.463 3.563 20 5 GHBDMO COc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000839454236 1025941512 /nfs/dbraw/zinc/94/15/12/1025941512.db2.gz FYQJCSVFQXEXOT-LBPRGKRZSA-N 1 1 377.828 3.888 20 5 GHBDMO COc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000839454236 1025941518 /nfs/dbraw/zinc/94/15/18/1025941518.db2.gz FYQJCSVFQXEXOT-LBPRGKRZSA-N 1 1 377.828 3.888 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c1Br ZINC000839513005 1025997008 /nfs/dbraw/zinc/99/70/08/1025997008.db2.gz UJRPHQRCXLTLHL-UHFFFAOYSA-N 1 1 377.238 3.664 20 5 GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839535896 1026026460 /nfs/dbraw/zinc/02/64/60/1026026460.db2.gz KEQYGSRZUORYAE-ZDUSSCGKSA-N 1 1 399.285 3.769 20 5 GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839535896 1026026480 /nfs/dbraw/zinc/02/64/80/1026026480.db2.gz KEQYGSRZUORYAE-ZDUSSCGKSA-N 1 1 399.285 3.769 20 5 GHBDMO C[C@@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001163191515 1026082414 /nfs/dbraw/zinc/08/24/14/1026082414.db2.gz MAEZYNQYUXKGRQ-QFIPXVFZSA-N 1 1 376.460 3.889 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000839640400 1026147786 /nfs/dbraw/zinc/14/77/86/1026147786.db2.gz KWLPMCIKABRSIK-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO CC1(C)[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC001163572135 1026240286 /nfs/dbraw/zinc/24/02/86/1026240286.db2.gz UIUXRCMPVAJCAN-ROUUACIJSA-N 1 1 382.464 3.568 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c(Cl)c1 ZINC001163817221 1026323369 /nfs/dbraw/zinc/32/33/69/1026323369.db2.gz FXAGQGBSPGCSBG-HUUCEWRRSA-N 1 1 386.279 3.957 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc(N3CCC([N@H+]4CCc5ccccc5C4)CC3)nc2c1 ZINC001165150214 1026635592 /nfs/dbraw/zinc/63/55/92/1026635592.db2.gz SUDGGOPNHDFNHN-UHFFFAOYSA-N 1 1 389.459 3.565 20 5 GHBDMO COc1ccc(C[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)cc1[N+](=O)[O-] ZINC001461172136 1069425559 /nfs/dbraw/zinc/42/55/59/1069425559.db2.gz BWAITHYSXKLNOZ-UHFFFAOYSA-N 1 1 394.353 3.799 20 5 GHBDMO C[NH+]1CCC(COc2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cc2F)CC1 ZINC001210398743 1027490315 /nfs/dbraw/zinc/49/03/15/1027490315.db2.gz KBFSPBXXHJNWBB-UHFFFAOYSA-N 1 1 375.400 3.904 20 5 GHBDMO Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001215221822 1029097734 /nfs/dbraw/zinc/09/77/34/1029097734.db2.gz GJKUTOZLSZNVEJ-UHFFFAOYSA-N 1 1 389.371 3.700 20 5 GHBDMO CN1CCN(c2cc[nH+]cc2Nc2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC001215580376 1029291624 /nfs/dbraw/zinc/29/16/24/1029291624.db2.gz GLXCBEGMMXSQIT-UHFFFAOYSA-N 1 1 382.251 3.792 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001216139948 1029540328 /nfs/dbraw/zinc/54/03/28/1029540328.db2.gz BENQGIMEPIPFBF-ZDUSSCGKSA-N 1 1 386.374 3.752 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000842834524 1029622363 /nfs/dbraw/zinc/62/23/63/1029622363.db2.gz UNPSREWZDKBHAJ-MRXNPFEDSA-N 1 1 378.472 3.959 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC001216391042 1029624360 /nfs/dbraw/zinc/62/43/60/1029624360.db2.gz UYSDGFBXVXFDRG-NWDGAFQWSA-N 1 1 399.289 3.742 20 5 GHBDMO COC(=O)C1=C[C@H](O[C@@H](C)c2cccc([N+](=O)[O-])c2)C[N@@H+](Cc2ccccc2)C1 ZINC001223427342 1030569487 /nfs/dbraw/zinc/56/94/87/1030569487.db2.gz LKPJSHFCGWVWEK-KKSFZXQISA-N 1 1 396.443 3.656 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001223450554 1030579212 /nfs/dbraw/zinc/57/92/12/1030579212.db2.gz RHGIAKQTIRIRCL-HRAATJIYSA-N 1 1 398.459 3.809 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@@H]2C[NH2+]C[C@@H]2F)c2c(=O)c3cccc(O)c3oc12 ZINC001218002113 1030716323 /nfs/dbraw/zinc/71/63/23/1030716323.db2.gz LRYMCLDRRGCZAQ-KBXCAEBGSA-N 1 1 399.418 3.555 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1C=CC[NH2+]C1 ZINC001218338232 1030900840 /nfs/dbraw/zinc/90/08/40/1030900840.db2.gz ULEFFTBPMMZZKC-HNNXBMFYSA-N 1 1 393.439 3.773 20 5 GHBDMO C[C@H](Oc1ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC001218344270 1030904562 /nfs/dbraw/zinc/90/45/62/1030904562.db2.gz UFQUDDBRXFCEJL-LIRRHRJNSA-N 1 1 386.448 3.946 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224988519 1031201610 /nfs/dbraw/zinc/20/16/10/1031201610.db2.gz DAXZWGWMSQFWHG-DYESRHJHSA-N 1 1 398.459 3.565 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ncn2ccccc12 ZINC001153040390 1031440535 /nfs/dbraw/zinc/44/05/35/1031440535.db2.gz IZPLAATZEJYZDW-UHFFFAOYSA-N 1 1 397.438 3.591 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225888480 1031676517 /nfs/dbraw/zinc/67/65/17/1031676517.db2.gz BXIAVFKIHGERIS-FZKQIMNGSA-N 1 1 389.383 3.932 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229366743 1033439965 /nfs/dbraw/zinc/43/99/65/1033439965.db2.gz CYNDAFCBHHIFKZ-KBXCAEBGSA-N 1 1 394.431 3.533 20 5 GHBDMO CN(CC[N@@H+](C)Cc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001157556709 1033657800 /nfs/dbraw/zinc/65/78/00/1033657800.db2.gz OLTLQDOJZWULGI-UHFFFAOYSA-N 1 1 377.448 3.620 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)n2ccc(C[NH2+]Cc3ccccc3)n2)cnc1Cl ZINC001157607499 1033687882 /nfs/dbraw/zinc/68/78/82/1033687882.db2.gz MVEGXHDZHMQQKP-UHFFFAOYSA-N 1 1 393.781 3.727 20 5 GHBDMO C[NH+](C)CC(=O)Nc1ccc2nc(OC[C@H]3CCCCO3)c3ccccc3c2c1 ZINC001229808068 1033731877 /nfs/dbraw/zinc/73/18/77/1033731877.db2.gz NRZGGIOKWGEXAH-QGZVFWFLSA-N 1 1 393.487 3.836 20 5 GHBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001229899363 1033782686 /nfs/dbraw/zinc/78/26/86/1033782686.db2.gz LXLNSSLUMSWIJW-YJBOKZPZSA-N 1 1 384.432 3.589 20 5 GHBDMO COC(=O)c1cc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC001229941571 1033805169 /nfs/dbraw/zinc/80/51/69/1033805169.db2.gz KERLVCIVFQDCBF-HNNXBMFYSA-N 1 1 388.395 3.564 20 5 GHBDMO Cc1nc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1Br ZINC001231122251 1034412167 /nfs/dbraw/zinc/41/21/67/1034412167.db2.gz RVOREBVFIFONJE-AWEZNQCLSA-N 1 1 392.253 3.714 20 5 GHBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001231235773 1034476407 /nfs/dbraw/zinc/47/64/07/1034476407.db2.gz DYVNNMBVZNUCRS-MSRIBSCDSA-N 1 1 389.330 3.631 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)CC2)cc1 ZINC001246933964 1037736525 /nfs/dbraw/zinc/73/65/25/1037736525.db2.gz LKHQHYJPWNZMKU-SFHVURJKSA-N 1 1 386.540 3.808 20 5 GHBDMO CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254551439 1040319927 /nfs/dbraw/zinc/31/99/27/1040319927.db2.gz AYTXBQWFACXHMJ-MRXNPFEDSA-N 1 1 382.460 3.690 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001254556938 1040325841 /nfs/dbraw/zinc/32/58/41/1040325841.db2.gz NPJCTSGTCJAKFJ-YWZLYKJASA-N 1 1 385.489 3.716 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1[C@H](C(N)=O)c1ccccc1 ZINC001254560282 1040332374 /nfs/dbraw/zinc/33/23/74/1040332374.db2.gz RIMQRVIISADOAF-MAODMQOUSA-N 1 1 381.476 3.649 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001254564747 1040340210 /nfs/dbraw/zinc/34/02/10/1040340210.db2.gz MTYGLWQRLRBRAE-COPCDDAFSA-N 1 1 379.504 3.980 20 5 GHBDMO [NH3+]C1(Cc2ccc(Cl)cc2)CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254586455 1040359761 /nfs/dbraw/zinc/35/97/61/1040359761.db2.gz JOYOJSZWSMQLDY-HXUWFJFHSA-N 1 1 385.895 3.751 20 5 GHBDMO C[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604317 1040375198 /nfs/dbraw/zinc/37/51/98/1040375198.db2.gz VIKICRCMXHSHLQ-HNAYVOBHSA-N 1 1 389.496 3.641 20 5 GHBDMO CCOc1cc2c(cc1OCC)C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254606392 1040379109 /nfs/dbraw/zinc/37/91/09/1040379109.db2.gz DZBATQWYFLXFEJ-FQEVSTJZSA-N 1 1 382.460 3.918 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612372 1040383871 /nfs/dbraw/zinc/38/38/71/1040383871.db2.gz VSUGXHPETBLRIQ-GHTZIAJQSA-N 1 1 389.496 3.689 20 5 GHBDMO OC[C@@H]1CNCC[N@H+]1Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c21 ZINC001235440202 1040940269 /nfs/dbraw/zinc/94/02/69/1040940269.db2.gz GYTJDXGDCHGJIX-HNNXBMFYSA-N 1 1 384.483 3.722 20 5 GHBDMO OC[C@@H]1C[NH2+]CCN1Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c21 ZINC001235440202 1040940274 /nfs/dbraw/zinc/94/02/74/1040940274.db2.gz GYTJDXGDCHGJIX-HNNXBMFYSA-N 1 1 384.483 3.722 20 5 GHBDMO O=[N+]([O-])c1ccccc1CCc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255377973 1040969918 /nfs/dbraw/zinc/96/99/18/1040969918.db2.gz XHKDQULXYZCFMG-GOSISDBHSA-N 1 1 378.432 3.753 20 5 GHBDMO O=[N+]([O-])c1cccc(OCCc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255427780 1041024573 /nfs/dbraw/zinc/02/45/73/1041024573.db2.gz MUAVQJYNHYSIBF-QGZVFWFLSA-N 1 1 394.431 3.589 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1Cc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255437549 1041032279 /nfs/dbraw/zinc/03/22/79/1041032279.db2.gz MBTIBVNXFAGTQA-QGZVFWFLSA-N 1 1 378.432 3.867 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@@H]3c3cc(C)on3)CC2)ccc1[N+](=O)[O-] ZINC001256094595 1041523246 /nfs/dbraw/zinc/52/32/46/1041523246.db2.gz MTZSDTISXJIIQX-GOSISDBHSA-N 1 1 386.452 3.706 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C)C[C@@H]3Cc4ccccc4O3)CC2)ccc1[N+](=O)[O-] ZINC001256103571 1041530412 /nfs/dbraw/zinc/53/04/12/1041530412.db2.gz MVRTUBMBFFHHFL-IBGZPJMESA-N 1 1 397.475 3.508 20 5 GHBDMO C[C@H](NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000477189044 1044093949 /nfs/dbraw/zinc/09/39/49/1044093949.db2.gz QJSOANUSVKPRAI-HRAATJIYSA-N 1 1 396.491 3.866 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1Cl ZINC001294799869 1044797373 /nfs/dbraw/zinc/79/73/73/1044797373.db2.gz ABRDNMMDKUWEBZ-GDBMZVCRSA-N 1 1 387.867 3.949 20 5 GHBDMO CC[C@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000489859140 1045909128 /nfs/dbraw/zinc/90/91/28/1045909128.db2.gz AIFVRQYTZHTLKU-FQEVSTJZSA-N 1 1 384.480 3.867 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001266227189 1047720221 /nfs/dbraw/zinc/72/02/21/1047720221.db2.gz XSNWYQGHGBKUQR-XWOARTFESA-N 1 1 393.487 3.820 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463341312 1070997958 /nfs/dbraw/zinc/99/79/58/1070997958.db2.gz CLAIRIWDSHBICK-QHAWAJNXSA-N 1 1 393.487 3.554 20 5 GHBDMO COc1cc(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001307115110 1049084226 /nfs/dbraw/zinc/08/42/26/1049084226.db2.gz FIMLEKGXYUTLSD-HNNXBMFYSA-N 1 1 375.856 3.620 20 5 GHBDMO COc1cc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001307115110 1049084238 /nfs/dbraw/zinc/08/42/38/1049084238.db2.gz FIMLEKGXYUTLSD-HNNXBMFYSA-N 1 1 375.856 3.620 20 5 GHBDMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001307170659 1049117172 /nfs/dbraw/zinc/11/71/72/1049117172.db2.gz ISXIERAVCULENL-HNNXBMFYSA-N 1 1 382.851 3.905 20 5 GHBDMO Cc1cccc(OC[C@H](O)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C(C)C)c1 ZINC001307492513 1049331989 /nfs/dbraw/zinc/33/19/89/1049331989.db2.gz LQCXUFFMIZGRTP-GOSISDBHSA-N 1 1 376.428 3.693 20 5 GHBDMO Cc1cccc(OC[C@H](O)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C(C)C)c1 ZINC001307492513 1049332004 /nfs/dbraw/zinc/33/20/04/1049332004.db2.gz LQCXUFFMIZGRTP-GOSISDBHSA-N 1 1 376.428 3.693 20 5 GHBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001289203815 1049365593 /nfs/dbraw/zinc/36/55/93/1049365593.db2.gz HLYSQSLLHSINBA-INIZCTEOSA-N 1 1 388.493 3.521 20 5 GHBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001289203815 1049365606 /nfs/dbraw/zinc/36/56/06/1049365606.db2.gz HLYSQSLLHSINBA-INIZCTEOSA-N 1 1 388.493 3.521 20 5 GHBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308178212 1049902359 /nfs/dbraw/zinc/90/23/59/1049902359.db2.gz QXHQMRGXEBABSN-SFHVURJKSA-N 1 1 377.485 3.859 20 5 GHBDMO C[C@]1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1c1ccccc1 ZINC001308566380 1050012337 /nfs/dbraw/zinc/01/23/37/1050012337.db2.gz BLGQGZDYHDYQDC-IFMALSPDSA-N 1 1 379.460 3.546 20 5 GHBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC[C@H]2N1 ZINC001330864942 1051132980 /nfs/dbraw/zinc/13/29/80/1051132980.db2.gz DFAATZLHSDODNH-BLLLJJGKSA-N 1 1 389.839 3.609 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001310301193 1051278930 /nfs/dbraw/zinc/27/89/30/1051278930.db2.gz KELVNTPATAUHQE-OAHLLOKOSA-N 1 1 384.436 3.850 20 5 GHBDMO COc1ncc(Br)cc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001332963220 1051616935 /nfs/dbraw/zinc/61/69/35/1051616935.db2.gz YGYFGBBQPVARLZ-UHFFFAOYSA-N 1 1 380.242 3.786 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[NH+]3CCC(n4cc(Cl)cn4)CC3)c2)c1 ZINC001337454014 1052475809 /nfs/dbraw/zinc/47/58/09/1052475809.db2.gz ZMUGQLROHBTJFB-UHFFFAOYSA-N 1 1 386.843 3.603 20 5 GHBDMO COc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001344459337 1054490261 /nfs/dbraw/zinc/49/02/61/1054490261.db2.gz LHOIANAQDGEWOR-UHFFFAOYSA-N 1 1 398.463 3.732 20 5 GHBDMO CCC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001318953578 1054962928 /nfs/dbraw/zinc/96/29/28/1054962928.db2.gz JQTOOLGFPZXWFR-BBRMVZONSA-N 1 1 388.424 3.514 20 5 GHBDMO CCC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001318953578 1054962932 /nfs/dbraw/zinc/96/29/32/1054962932.db2.gz JQTOOLGFPZXWFR-BBRMVZONSA-N 1 1 388.424 3.514 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC001345745303 1055238247 /nfs/dbraw/zinc/23/82/47/1055238247.db2.gz IURUGQVJLMKJHG-UHFFFAOYSA-N 1 1 398.463 3.652 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001319459105 1055260544 /nfs/dbraw/zinc/26/05/44/1055260544.db2.gz WVACRVYITVIQNN-AEFFLSMTSA-N 1 1 396.491 3.667 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001319486033 1055280346 /nfs/dbraw/zinc/28/03/46/1055280346.db2.gz PYHQNWWQZLVKDJ-QAPCUYQASA-N 1 1 389.452 3.631 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001319486033 1055280348 /nfs/dbraw/zinc/28/03/48/1055280348.db2.gz PYHQNWWQZLVKDJ-QAPCUYQASA-N 1 1 389.452 3.631 20 5 GHBDMO Cc1cc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001320225835 1055714886 /nfs/dbraw/zinc/71/48/86/1055714886.db2.gz NRJIWCRUCRGRQU-SJLPKXTDSA-N 1 1 395.507 3.847 20 5 GHBDMO Cc1cc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001320225830 1055715421 /nfs/dbraw/zinc/71/54/21/1055715421.db2.gz NRJIWCRUCRGRQU-AEFFLSMTSA-N 1 1 395.507 3.847 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001322070394 1056502905 /nfs/dbraw/zinc/50/29/05/1056502905.db2.gz NUNYUKUKEWUMCI-HXUWFJFHSA-N 1 1 380.448 3.867 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848486769 1057122381 /nfs/dbraw/zinc/12/23/81/1057122381.db2.gz JONCOAMZRZAGEW-FEGHXTNJSA-N 1 1 384.480 3.677 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001324588566 1057173668 /nfs/dbraw/zinc/17/36/68/1057173668.db2.gz XKVSOCUZTCSFSU-IEBWSBKVSA-N 1 1 386.427 3.863 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001324588566 1057173670 /nfs/dbraw/zinc/17/36/70/1057173670.db2.gz XKVSOCUZTCSFSU-IEBWSBKVSA-N 1 1 386.427 3.863 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001326489843 1057495059 /nfs/dbraw/zinc/49/50/59/1057495059.db2.gz UYOOGYIIUVZJEG-DOTOQJQBSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001326489843 1057495066 /nfs/dbraw/zinc/49/50/66/1057495066.db2.gz UYOOGYIIUVZJEG-DOTOQJQBSA-N 1 1 377.803 3.563 20 5 GHBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)CC2(C)C)cn1 ZINC001326715786 1057540468 /nfs/dbraw/zinc/54/04/68/1057540468.db2.gz FIGNAKGAEOVUQA-HNNXBMFYSA-N 1 1 393.285 3.716 20 5 GHBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001440205185 1058461973 /nfs/dbraw/zinc/46/19/73/1058461973.db2.gz WBIPXXFHBOHOOJ-UAGQMJEPSA-N 1 1 397.500 3.816 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001339957395 1059579816 /nfs/dbraw/zinc/57/98/16/1059579816.db2.gz OBABSPDGCAZGIU-HRAATJIYSA-N 1 1 394.475 3.531 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001341132946 1060435394 /nfs/dbraw/zinc/43/53/94/1060435394.db2.gz KQNYBGHXJMUEIJ-DLBZAZTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001341132946 1060435405 /nfs/dbraw/zinc/43/54/05/1060435405.db2.gz KQNYBGHXJMUEIJ-DLBZAZTESA-N 1 1 377.803 3.563 20 5 GHBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001450610753 1060634242 /nfs/dbraw/zinc/63/42/42/1060634242.db2.gz SLRFUGMFGPBDFE-SECBINFHSA-N 1 1 380.247 3.891 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001452969313 1061054226 /nfs/dbraw/zinc/05/42/26/1061054226.db2.gz HAHYGIHQQLJXGU-IBGZPJMESA-N 1 1 395.503 3.648 20 5 GHBDMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C2)c1 ZINC001454306040 1061707039 /nfs/dbraw/zinc/70/70/39/1061707039.db2.gz AHRCLTZILINVSP-OAHLLOKOSA-N 1 1 391.830 3.700 20 5 GHBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001455409769 1062133488 /nfs/dbraw/zinc/13/34/88/1062133488.db2.gz ALRATWJDYMHKAL-RTBURBONSA-N 1 1 380.448 3.647 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001435195242 1062376799 /nfs/dbraw/zinc/37/67/99/1062376799.db2.gz ONLIUTXIGKBHGQ-UNMCSNQZSA-N 1 1 395.503 3.944 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001435336913 1062520649 /nfs/dbraw/zinc/52/06/49/1062520649.db2.gz BRKDFAOHBFEBAI-APWZRJJASA-N 1 1 381.476 3.852 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001457571279 1063254466 /nfs/dbraw/zinc/25/44/66/1063254466.db2.gz FKBKRLINNCMCPN-JOCHJYFZSA-N 1 1 393.487 3.843 20 5 GHBDMO Cc1c(Br)c(NCC[N@H+](C)Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001458229756 1063677458 /nfs/dbraw/zinc/67/74/58/1063677458.db2.gz LXRLTURUTLAINB-UHFFFAOYSA-N 1 1 397.248 3.744 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)CC[C@@H]21 ZINC001458236940 1063683538 /nfs/dbraw/zinc/68/35/38/1063683538.db2.gz JVBGUZMHEPTFHD-XLIONFOSSA-N 1 1 379.460 3.746 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001458426990 1063797955 /nfs/dbraw/zinc/79/79/55/1063797955.db2.gz KWLCLZHCMBYNAO-RBUKOAKNSA-N 1 1 395.438 3.548 20 5 GHBDMO COC(=O)Cc1ccc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001458605476 1063903833 /nfs/dbraw/zinc/90/38/33/1063903833.db2.gz PVZFHNMMSREBAU-LJQANCHMSA-N 1 1 397.475 3.777 20 5 GHBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001438572795 1064073405 /nfs/dbraw/zinc/07/34/05/1064073405.db2.gz DXWXITKMPOGSRM-FQEVSTJZSA-N 1 1 399.466 3.837 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001459479668 1064109564 /nfs/dbraw/zinc/10/95/64/1064109564.db2.gz LMRWZACDPPWFSV-SFHVURJKSA-N 1 1 397.475 3.948 20 5 GHBDMO CSc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001459691722 1064173209 /nfs/dbraw/zinc/17/32/09/1064173209.db2.gz XZCUWJVJAZMLNQ-SFHVURJKSA-N 1 1 388.489 3.721 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(CC)CC ZINC001459738179 1064193605 /nfs/dbraw/zinc/19/36/05/1064193605.db2.gz AFEBNEJCWFUTPW-ZWKOTPCHSA-N 1 1 377.485 3.757 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(CC)CC ZINC001459738175 1064193788 /nfs/dbraw/zinc/19/37/88/1064193788.db2.gz AFEBNEJCWFUTPW-ROUUACIJSA-N 1 1 377.485 3.757 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccc(OC(F)(F)F)c1 ZINC001459754059 1064201564 /nfs/dbraw/zinc/20/15/64/1064201564.db2.gz DPVIPNDOXNZUBJ-UHFFFAOYSA-N 1 1 397.353 3.954 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1c1ccccc1F ZINC001200364630 1065991976 /nfs/dbraw/zinc/99/19/76/1065991976.db2.gz ATSQOMMAZXZSQQ-SFHVURJKSA-N 1 1 395.390 3.889 20 5 GHBDMO CC[N@@H+](CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCCCC1 ZINC001466251771 1066055456 /nfs/dbraw/zinc/05/54/56/1066055456.db2.gz RWODNNVTAJZUHV-UHFFFAOYSA-N 1 1 378.473 3.770 20 5 GHBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001200384202 1066055930 /nfs/dbraw/zinc/05/59/30/1066055930.db2.gz RIHWJJATHDEKDM-QGZVFWFLSA-N 1 1 384.436 3.945 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001353721366 1066195370 /nfs/dbraw/zinc/19/53/70/1066195370.db2.gz GKXSKOWJOGESKE-QGZVFWFLSA-N 1 1 381.476 3.605 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001353721366 1066195378 /nfs/dbraw/zinc/19/53/78/1066195378.db2.gz GKXSKOWJOGESKE-QGZVFWFLSA-N 1 1 381.476 3.605 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001357631840 1067207206 /nfs/dbraw/zinc/20/72/06/1067207206.db2.gz RPIOSEFQULUCQU-XLIONFOSSA-N 1 1 393.487 3.968 20 5 GHBDMO C[C@@H](C[NH+]1CCC(C)CC1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001474626809 1067774264 /nfs/dbraw/zinc/77/42/64/1067774264.db2.gz SCGVDNOKXMZXIN-NSHDSACASA-N 1 1 376.320 3.629 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1Br ZINC000849350859 1067817370 /nfs/dbraw/zinc/81/73/70/1067817370.db2.gz ZCFUDHMTPBIMQS-OAHLLOKOSA-N 1 1 382.302 3.569 20 5 GHBDMO C[C@@H](CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001478110009 1078722931 /nfs/dbraw/zinc/72/29/31/1078722931.db2.gz BGNWMRHCHCKAFW-ZWKOTPCHSA-N 1 1 398.507 3.908 20 5 GHBDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001460084791 1068772047 /nfs/dbraw/zinc/77/20/47/1068772047.db2.gz OEHQGYDAGXLSIZ-UZLBHIALSA-N 1 1 379.460 3.957 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001460120812 1068792531 /nfs/dbraw/zinc/79/25/31/1068792531.db2.gz OQVTWMZRUWDYIT-MRXNPFEDSA-N 1 1 399.516 3.911 20 5 GHBDMO CCOc1cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001460258733 1068888804 /nfs/dbraw/zinc/88/88/04/1068888804.db2.gz QYRTVIYJQRAZTH-HOCLYGCPSA-N 1 1 378.469 3.793 20 5 GHBDMO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001460622843 1069037715 /nfs/dbraw/zinc/03/77/15/1069037715.db2.gz XMISHJWAALUIOR-XWIAVFTESA-N 1 1 380.404 3.826 20 5 GHBDMO C[C@]1(Cc2cccc(Br)c2)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001460802932 1069189659 /nfs/dbraw/zinc/18/96/59/1069189659.db2.gz IOJUKDUWTLHDHQ-QGZVFWFLSA-N 1 1 393.285 3.651 20 5 GHBDMO O=C(C[N@H+](Cc1cccc(F)c1)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001460808611 1069194834 /nfs/dbraw/zinc/19/48/34/1069194834.db2.gz SXNAWSQZCBPHRB-UHFFFAOYSA-N 1 1 383.423 3.678 20 5 GHBDMO O=C(C[N@@H+](Cc1cccc(F)c1)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001460808611 1069194839 /nfs/dbraw/zinc/19/48/39/1069194839.db2.gz SXNAWSQZCBPHRB-UHFFFAOYSA-N 1 1 383.423 3.678 20 5 GHBDMO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCCC2 ZINC001472756173 1073652935 /nfs/dbraw/zinc/65/29/35/1073652935.db2.gz AVSNFVNYTKQHCN-LJQANCHMSA-N 1 1 396.491 3.572 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001473203615 1073856731 /nfs/dbraw/zinc/85/67/31/1073856731.db2.gz GZQJDRHGAOSWIW-GOSISDBHSA-N 1 1 399.491 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CCOc1ccc(F)c(F)c1 ZINC001473992735 1074228510 /nfs/dbraw/zinc/22/85/10/1074228510.db2.gz KAUCLJQNLUGODK-UHFFFAOYSA-N 1 1 387.180 3.804 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001474239154 1074304906 /nfs/dbraw/zinc/30/49/06/1074304906.db2.gz XOWONZXUQMLZJX-PHIMTYICSA-N 1 1 385.258 3.567 20 5 GHBDMO CC(C)(C)OC(=O)N(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001474381666 1074376563 /nfs/dbraw/zinc/37/65/63/1074376563.db2.gz LFKIERQZZKKILX-UHFFFAOYSA-N 1 1 377.485 3.989 20 5 GHBDMO CC(C)(C)OC(=O)N(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001474381666 1074376568 /nfs/dbraw/zinc/37/65/68/1074376568.db2.gz LFKIERQZZKKILX-UHFFFAOYSA-N 1 1 377.485 3.989 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001474550031 1074459229 /nfs/dbraw/zinc/45/92/29/1074459229.db2.gz HUMRTXFFRLQBOZ-FUHWJXTLSA-N 1 1 398.356 3.914 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001474550031 1074459233 /nfs/dbraw/zinc/45/92/33/1074459233.db2.gz HUMRTXFFRLQBOZ-FUHWJXTLSA-N 1 1 398.356 3.914 20 5 GHBDMO COc1c(O)ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c1[N+](=O)[O-] ZINC001474601723 1074478830 /nfs/dbraw/zinc/47/88/30/1074478830.db2.gz CHLNRAWEFDYTRO-UHFFFAOYSA-N 1 1 398.337 3.987 20 5 GHBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(F)cc2[N+](=O)[O-])CC3)cs1 ZINC001164691208 719805692 /nfs/dbraw/zinc/80/56/92/719805692.db2.gz FVRAQCWLSHSVPY-UHFFFAOYSA-N 1 1 391.472 3.529 20 5 GHBDMO Cc1c(C)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164791408 721496494 /nfs/dbraw/zinc/49/64/94/721496494.db2.gz CMEDJVMTVVLSFX-UHFFFAOYSA-N 1 1 395.507 3.883 20 5 GHBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000431769702 837415830 /nfs/dbraw/zinc/41/58/30/837415830.db2.gz ITOOKUYYTKTZTH-INIZCTEOSA-N 1 1 396.491 3.576 20 5 GHBDMO Cc1ccc(Sc2ccc(C[NH2+][C@H](CO)c3cnn(C)c3)cc2[N+](=O)[O-])cc1 ZINC000536054784 834524450 /nfs/dbraw/zinc/52/44/50/834524450.db2.gz ALXXKEYFQWPPSU-GOSISDBHSA-N 1 1 398.488 3.611 20 5 GHBDMO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000120119097 834550896 /nfs/dbraw/zinc/55/08/96/834550896.db2.gz FTRDTAUIYVBXRH-ZDUSSCGKSA-N 1 1 375.400 3.592 20 5 GHBDMO CC[N@@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000120119097 834550900 /nfs/dbraw/zinc/55/09/00/834550900.db2.gz FTRDTAUIYVBXRH-ZDUSSCGKSA-N 1 1 375.400 3.592 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000573242139 834576951 /nfs/dbraw/zinc/57/69/51/834576951.db2.gz BQBHMVMZLLZFIF-TXEJJXNPSA-N 1 1 389.374 3.595 20 5 GHBDMO CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001125682296 834696570 /nfs/dbraw/zinc/69/65/70/834696570.db2.gz JBGQSALNIQSKNI-LJQANCHMSA-N 1 1 375.513 3.725 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000177149744 837798486 /nfs/dbraw/zinc/79/84/86/837798486.db2.gz IHSNKGBFIZDHSO-HXUWFJFHSA-N 1 1 397.475 3.565 20 5 GHBDMO CNc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000610200147 835021818 /nfs/dbraw/zinc/02/18/18/835021818.db2.gz KXQOSPHOKABRHI-KSSFIOAISA-N 1 1 388.493 3.511 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000480587668 835124635 /nfs/dbraw/zinc/12/46/35/835124635.db2.gz YIPSEOWDYDVWMG-GASCZTMLSA-N 1 1 392.381 3.577 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000472343659 835178140 /nfs/dbraw/zinc/17/81/40/835178140.db2.gz SFIPCSLBIQDMLO-SJLPKXTDSA-N 1 1 397.475 3.885 20 5 GHBDMO Cc1nn2c(C[NH2+]Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c(C)nc2s1 ZINC000278597875 835511655 /nfs/dbraw/zinc/51/16/55/835511655.db2.gz CAISDSYIMMCAFM-UHFFFAOYSA-N 1 1 385.371 3.624 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000179449324 835721379 /nfs/dbraw/zinc/72/13/79/835721379.db2.gz VOQXEQCVTWAYIO-MNDMWVCDSA-N 1 1 375.469 3.797 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000134739261 835935126 /nfs/dbraw/zinc/93/51/26/835935126.db2.gz YPMNGUFBLIWSGF-SJORKVTESA-N 1 1 398.507 3.732 20 5 GHBDMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000177161168 836081571 /nfs/dbraw/zinc/08/15/71/836081571.db2.gz LHQMGSOJAFPAFE-LJQANCHMSA-N 1 1 382.416 3.932 20 5 GHBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000582260193 836257679 /nfs/dbraw/zinc/25/76/79/836257679.db2.gz RSAUAHHYQHTWQA-MRXNPFEDSA-N 1 1 388.493 3.665 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000170687531 836578150 /nfs/dbraw/zinc/57/81/50/836578150.db2.gz LMWPZMDPJXKQRW-IBGZPJMESA-N 1 1 396.491 3.979 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000066675839 837179009 /nfs/dbraw/zinc/17/90/09/837179009.db2.gz QLRSECJEYIDYBM-UHFFFAOYSA-N 1 1 381.476 3.887 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@H]2CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000580603084 837384798 /nfs/dbraw/zinc/38/47/98/837384798.db2.gz VHAAAHKQEZUPDP-IBGZPJMESA-N 1 1 386.448 3.793 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109764730 837842228 /nfs/dbraw/zinc/84/22/28/837842228.db2.gz FNVNAALMOQCFHQ-UHFFFAOYSA-N 1 1 393.447 3.598 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000541056845 838253421 /nfs/dbraw/zinc/25/34/21/838253421.db2.gz LWWOUBYCCLICRX-SJORKVTESA-N 1 1 393.528 3.802 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103469145 838422618 /nfs/dbraw/zinc/42/26/18/838422618.db2.gz XBSGDWRUYMXBCM-UHFFFAOYSA-N 1 1 392.818 3.633 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000541386771 838976586 /nfs/dbraw/zinc/97/65/86/838976586.db2.gz HSOSHBWDPCKTII-DOTOQJQBSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000541386771 838976593 /nfs/dbraw/zinc/97/65/93/838976593.db2.gz HSOSHBWDPCKTII-DOTOQJQBSA-N 1 1 383.448 3.728 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000182175358 838995334 /nfs/dbraw/zinc/99/53/34/838995334.db2.gz ROCGEKHNRZZBNQ-SFHVURJKSA-N 1 1 382.416 3.630 20 5 GHBDMO COc1cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000580311728 839229604 /nfs/dbraw/zinc/22/96/04/839229604.db2.gz OZSQZUAVOVBSJK-APWZRJJASA-N 1 1 399.491 3.742 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[N@H+]1C ZINC000275822220 839244184 /nfs/dbraw/zinc/24/41/84/839244184.db2.gz SJSOTFFGIRRAES-DOMZBBRYSA-N 1 1 399.441 3.927 20 5 GHBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000458186516 844424595 /nfs/dbraw/zinc/42/45/95/844424595.db2.gz LAIAJZFLIYCTIT-GOSISDBHSA-N 1 1 396.491 3.669 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000610446079 839711704 /nfs/dbraw/zinc/71/17/04/839711704.db2.gz PCLDGSZIGXXUMX-MRXNPFEDSA-N 1 1 392.459 3.813 20 5 GHBDMO COc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C2CCCCC2)cc1OC ZINC000535793465 844467320 /nfs/dbraw/zinc/46/73/20/844467320.db2.gz VSWSVIFTMUGOTR-UHFFFAOYSA-N 1 1 388.468 3.680 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C2CCCCC2)cc1OC ZINC000535793465 844467326 /nfs/dbraw/zinc/46/73/26/844467326.db2.gz VSWSVIFTMUGOTR-UHFFFAOYSA-N 1 1 388.468 3.680 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000412177095 839873531 /nfs/dbraw/zinc/87/35/31/839873531.db2.gz LELMXZOGYCXGBG-ZKMOHVOUSA-N 1 1 393.487 3.868 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610451284 839928756 /nfs/dbraw/zinc/92/87/56/839928756.db2.gz NFPPYCSVVTULPV-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610451284 839928764 /nfs/dbraw/zinc/92/87/64/839928764.db2.gz NFPPYCSVVTULPV-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610451284 839928774 /nfs/dbraw/zinc/92/87/74/839928774.db2.gz NFPPYCSVVTULPV-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000312746944 840231343 /nfs/dbraw/zinc/23/13/43/840231343.db2.gz YSXMLQGJUQYNAV-INIZCTEOSA-N 1 1 387.867 3.890 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000119330055 840270524 /nfs/dbraw/zinc/27/05/24/840270524.db2.gz UXKPBXHCPRJGFI-OAHLLOKOSA-N 1 1 394.431 3.735 20 5 GHBDMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CCO2 ZINC000614100929 844558668 /nfs/dbraw/zinc/55/86/68/844558668.db2.gz DPTSMFRSGFUVJR-INIZCTEOSA-N 1 1 388.420 3.624 20 5 GHBDMO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CCO2 ZINC000614100930 844558696 /nfs/dbraw/zinc/55/86/96/844558696.db2.gz DPTSMFRSGFUVJR-MRXNPFEDSA-N 1 1 388.420 3.624 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000610476284 840667281 /nfs/dbraw/zinc/66/72/81/840667281.db2.gz SNGRQGXPBDPFGW-UHFFFAOYSA-N 1 1 389.496 3.654 20 5 GHBDMO COc1cc(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000277059352 844589217 /nfs/dbraw/zinc/58/92/17/844589217.db2.gz DBFOYPCFTYEWDT-INIZCTEOSA-N 1 1 386.383 3.508 20 5 GHBDMO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500014252 841260988 /nfs/dbraw/zinc/26/09/88/841260988.db2.gz ZDAOWXKZJCIECQ-IEBWSBKVSA-N 1 1 396.491 3.691 20 5 GHBDMO COc1ccc(C2([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)CCOCC2)cc1 ZINC000610582018 841407322 /nfs/dbraw/zinc/40/73/22/841407322.db2.gz IBXHZXFCJCIWFY-UHFFFAOYSA-N 1 1 383.404 3.540 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000302169872 861227596 /nfs/dbraw/zinc/22/75/96/861227596.db2.gz LTXNEGQHTIMUIV-RDTXWAMCSA-N 1 1 389.477 3.938 20 5 GHBDMO CCC[N@@H+](CCc1cccc(F)c1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000500238763 841702086 /nfs/dbraw/zinc/70/20/86/841702086.db2.gz VWEVNNVAVIXXEP-UHFFFAOYSA-N 1 1 385.439 3.578 20 5 GHBDMO C[C@]1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000312717869 841776294 /nfs/dbraw/zinc/77/62/94/841776294.db2.gz UMMKELSBVLHEFW-HXUWFJFHSA-N 1 1 387.867 3.890 20 5 GHBDMO Cc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933342344 841841057 /nfs/dbraw/zinc/84/10/57/841841057.db2.gz WUJDIMSZEAWCJQ-NEPJUHHUSA-N 1 1 386.374 3.622 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+](CCO)CCc3ccccc3)cs2)c1 ZINC000093389518 842030191 /nfs/dbraw/zinc/03/01/91/842030191.db2.gz CJVYXMADMWJRLN-UHFFFAOYSA-N 1 1 383.473 3.755 20 5 GHBDMO CC1([NH+]2CCOCC2)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000600201703 861262572 /nfs/dbraw/zinc/26/25/72/861262572.db2.gz UZKSPYQRTADNRX-UHFFFAOYSA-N 1 1 385.464 3.542 20 5 GHBDMO Cc1c(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000581764020 842169139 /nfs/dbraw/zinc/16/91/39/842169139.db2.gz CKRODLHJLBEJDM-GFCCVEGCSA-N 1 1 399.289 3.518 20 5 GHBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000054056551 842254290 /nfs/dbraw/zinc/25/42/90/842254290.db2.gz OECTURWSYDJGLR-SFHVURJKSA-N 1 1 391.830 3.954 20 5 GHBDMO CC(C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1nc2ccccc2s1 ZINC000599533156 861295939 /nfs/dbraw/zinc/29/59/39/861295939.db2.gz JCZKQZXVEASHIC-UHFFFAOYSA-N 1 1 396.472 3.619 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000134658308 842420175 /nfs/dbraw/zinc/42/01/75/842420175.db2.gz LJKMCWAIKJPWMW-CHWSQXEVSA-N 1 1 390.440 3.614 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000134658308 842420183 /nfs/dbraw/zinc/42/01/83/842420183.db2.gz LJKMCWAIKJPWMW-CHWSQXEVSA-N 1 1 390.440 3.614 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571766 861314023 /nfs/dbraw/zinc/31/40/23/861314023.db2.gz UPTCQTKLKFUHGW-IBGZPJMESA-N 1 1 383.448 3.551 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571766 861314045 /nfs/dbraw/zinc/31/40/45/861314045.db2.gz UPTCQTKLKFUHGW-IBGZPJMESA-N 1 1 383.448 3.551 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175977089 842552258 /nfs/dbraw/zinc/55/22/58/842552258.db2.gz HXLMQQNVPBVSCD-HXUWFJFHSA-N 1 1 396.491 3.648 20 5 GHBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000182065358 842569328 /nfs/dbraw/zinc/56/93/28/842569328.db2.gz FJLWORFGECGZPS-AWEZNQCLSA-N 1 1 379.888 3.719 20 5 GHBDMO C[N@@H+](CCCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000471808851 842636458 /nfs/dbraw/zinc/63/64/58/842636458.db2.gz HZVGPQZNGJNPPH-UHFFFAOYSA-N 1 1 383.242 3.822 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)C[C@H](C)O1 ZINC000121539877 842649131 /nfs/dbraw/zinc/64/91/31/842649131.db2.gz KLPVPQBAYXYWJZ-BETUJISGSA-N 1 1 375.450 3.518 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)C[C@H](C)O1 ZINC000121539877 842649135 /nfs/dbraw/zinc/64/91/35/842649135.db2.gz KLPVPQBAYXYWJZ-BETUJISGSA-N 1 1 375.450 3.518 20 5 GHBDMO Cc1cc(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000548334554 842667742 /nfs/dbraw/zinc/66/77/42/842667742.db2.gz UTAYZQMOUTUMBP-OAHLLOKOSA-N 1 1 377.448 3.978 20 5 GHBDMO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000510500833 842802287 /nfs/dbraw/zinc/80/22/87/842802287.db2.gz GGXAOVLZSWQRQO-UHFFFAOYSA-N 1 1 391.475 3.720 20 5 GHBDMO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(F)cccc1F ZINC000055897885 861346473 /nfs/dbraw/zinc/34/64/73/861346473.db2.gz AGGBYBLGWWUONY-UHFFFAOYSA-N 1 1 393.390 3.603 20 5 GHBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(F)cccc1F ZINC000055897885 861346488 /nfs/dbraw/zinc/34/64/88/861346488.db2.gz AGGBYBLGWWUONY-UHFFFAOYSA-N 1 1 393.390 3.603 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCSC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000430763631 842950438 /nfs/dbraw/zinc/95/04/38/842950438.db2.gz PUJULBCUIQZRFO-OAHLLOKOSA-N 1 1 377.510 3.982 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCSC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000430763631 842950446 /nfs/dbraw/zinc/95/04/46/842950446.db2.gz PUJULBCUIQZRFO-OAHLLOKOSA-N 1 1 377.510 3.982 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000510592940 843002065 /nfs/dbraw/zinc/00/20/65/843002065.db2.gz SQUCPGNEDQPPRL-ZDUSSCGKSA-N 1 1 376.407 3.785 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CNc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000429802463 843028374 /nfs/dbraw/zinc/02/83/74/843028374.db2.gz ZDMJRDFDHWSBOO-HOTGVXAUSA-N 1 1 385.464 3.825 20 5 GHBDMO C[N@@H+](CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000548389309 843062905 /nfs/dbraw/zinc/06/29/05/843062905.db2.gz ISHPWLJUQREZEG-UHFFFAOYSA-N 1 1 389.496 3.619 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000024672978 843079599 /nfs/dbraw/zinc/07/95/99/843079599.db2.gz VQEQTXVYSFPABX-OAHLLOKOSA-N 1 1 383.448 3.843 20 5 GHBDMO COc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510640501 843100370 /nfs/dbraw/zinc/10/03/70/843100370.db2.gz JXCBSJWJSKKQNU-VQTJNVASSA-N 1 1 398.459 3.936 20 5 GHBDMO COc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510640501 843100374 /nfs/dbraw/zinc/10/03/74/843100374.db2.gz JXCBSJWJSKKQNU-VQTJNVASSA-N 1 1 398.459 3.936 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000302836010 861383021 /nfs/dbraw/zinc/38/30/21/861383021.db2.gz WDFJOHAJFNCPGZ-KRWDZBQOSA-N 1 1 375.856 3.735 20 5 GHBDMO Cc1c(C[N@@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000510678138 843183553 /nfs/dbraw/zinc/18/35/53/843183553.db2.gz BCFSTVDKVBMSQW-MRXNPFEDSA-N 1 1 398.381 3.794 20 5 GHBDMO CNC(=O)C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000481823798 843530222 /nfs/dbraw/zinc/53/02/22/843530222.db2.gz KQSRDPWEVNBWGL-IBGZPJMESA-N 1 1 379.416 3.822 20 5 GHBDMO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599636831 861429002 /nfs/dbraw/zinc/42/90/02/861429002.db2.gz PWFPZLVEZWFIAC-MRXNPFEDSA-N 1 1 379.258 3.699 20 5 GHBDMO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599636831 861429013 /nfs/dbraw/zinc/42/90/13/861429013.db2.gz PWFPZLVEZWFIAC-MRXNPFEDSA-N 1 1 379.258 3.699 20 5 GHBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000610706970 843624998 /nfs/dbraw/zinc/62/49/98/843624998.db2.gz KKOMJFDQRWNDCY-JOCHJYFZSA-N 1 1 397.450 3.862 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c2c(c1)COCO2 ZINC000178396196 843642547 /nfs/dbraw/zinc/64/25/47/843642547.db2.gz LYVXUHVURDQKHZ-OAQYLSRUSA-N 1 1 398.459 3.723 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509750543 843892485 /nfs/dbraw/zinc/89/24/85/843892485.db2.gz JUYJHKNSDHVEDQ-KSZLIROESA-N 1 1 390.528 3.881 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015376782 843906165 /nfs/dbraw/zinc/90/61/65/843906165.db2.gz TVVFMSPQXATWNE-MRXNPFEDSA-N 1 1 393.447 3.524 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000500736131 843907437 /nfs/dbraw/zinc/90/74/37/843907437.db2.gz BYFKGSQTCTZHJV-UONOGXRCSA-N 1 1 388.493 3.569 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)cc1OC ZINC000599675586 861474275 /nfs/dbraw/zinc/47/42/75/861474275.db2.gz SARQTVDAFKYERV-BZUAXINKSA-N 1 1 380.485 3.621 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CO)C[C@H]2C)cc1OC ZINC000599675586 861474290 /nfs/dbraw/zinc/47/42/90/861474290.db2.gz SARQTVDAFKYERV-BZUAXINKSA-N 1 1 380.485 3.621 20 5 GHBDMO CCN1CCC([NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000236919705 844637709 /nfs/dbraw/zinc/63/77/09/844637709.db2.gz MYBDZPZLPDSYMP-UHFFFAOYSA-N 1 1 399.491 3.756 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000176189584 844743871 /nfs/dbraw/zinc/74/38/71/844743871.db2.gz BEDVUGOJWATJRC-ZDUSSCGKSA-N 1 1 380.404 3.589 20 5 GHBDMO COC[C@H](C)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21 ZINC000599683246 861523340 /nfs/dbraw/zinc/52/33/40/861523340.db2.gz OWMJYGNLSXHSTA-YCRPNKLZSA-N 1 1 398.459 3.986 20 5 GHBDMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000538176591 845292949 /nfs/dbraw/zinc/29/29/49/845292949.db2.gz WFMQFRGLUULZEW-MRXNPFEDSA-N 1 1 393.365 3.767 20 5 GHBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000538794279 845617160 /nfs/dbraw/zinc/61/71/60/845617160.db2.gz RGTUJCLTWXDNAU-LJQANCHMSA-N 1 1 396.491 3.663 20 5 GHBDMO COCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCSC1 ZINC000433182036 845621211 /nfs/dbraw/zinc/62/12/11/845621211.db2.gz MUPSRWMMUVUWGT-KRWDZBQOSA-N 1 1 377.466 3.594 20 5 GHBDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157615546 846008745 /nfs/dbraw/zinc/00/87/45/846008745.db2.gz WGGSEZRSDZCGNP-NSHDSACASA-N 1 1 393.875 3.797 20 5 GHBDMO CCC[C@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000502593213 846231339 /nfs/dbraw/zinc/23/13/39/846231339.db2.gz BOSKHHKJAFGEED-SFHVURJKSA-N 1 1 380.441 3.768 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000157919657 846253263 /nfs/dbraw/zinc/25/32/63/846253263.db2.gz SHKAWTRNOISOEK-OAHLLOKOSA-N 1 1 380.404 3.643 20 5 GHBDMO COc1cc(C[N@H+]2CCSCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000502833527 846527601 /nfs/dbraw/zinc/52/76/01/846527601.db2.gz MMIJWUGTJKBWQK-LLVKDONJSA-N 1 1 376.425 3.575 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000367067400 846535124 /nfs/dbraw/zinc/53/51/24/846535124.db2.gz RJPWHWPOFZREOV-WMLDXEAASA-N 1 1 389.477 3.573 20 5 GHBDMO O=[N+]([O-])c1ccc2ccnc(NCc3cccc(C[NH+]4CCOCC4)c3)c2c1 ZINC000413083638 846568639 /nfs/dbraw/zinc/56/86/39/846568639.db2.gz SLWHCULTMOQICJ-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502955937 846652046 /nfs/dbraw/zinc/65/20/46/846652046.db2.gz MHTBAKLYSVMEJC-INIZCTEOSA-N 1 1 398.463 3.663 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000503065733 846763780 /nfs/dbraw/zinc/76/37/80/846763780.db2.gz WFNNSWAMKDMPAT-HXUWFJFHSA-N 1 1 375.432 3.731 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000501603716 847040831 /nfs/dbraw/zinc/04/08/31/847040831.db2.gz HDHUQBUYRRNROJ-HZPDHXFCSA-N 1 1 392.459 3.811 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000599832047 861758586 /nfs/dbraw/zinc/75/85/86/861758586.db2.gz SDEWNLVKEOWEDI-KUHUBIRLSA-N 1 1 395.463 3.624 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000511125284 847245577 /nfs/dbraw/zinc/24/55/77/847245577.db2.gz VLDNLJBYXYIUCQ-QGZVFWFLSA-N 1 1 382.382 3.692 20 5 GHBDMO COc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000237110339 847285273 /nfs/dbraw/zinc/28/52/73/847285273.db2.gz YZPAUSDFSBMOAV-UHFFFAOYSA-N 1 1 387.480 3.742 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000562061133 847345548 /nfs/dbraw/zinc/34/55/48/847345548.db2.gz FKJLQMSXTVQKFJ-IRXDYDNUSA-N 1 1 387.430 3.827 20 5 GHBDMO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139833 847404337 /nfs/dbraw/zinc/40/43/37/847404337.db2.gz ILLNBFWREUCZQO-SFHVURJKSA-N 1 1 383.492 3.895 20 5 GHBDMO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139833 847404343 /nfs/dbraw/zinc/40/43/43/847404343.db2.gz ILLNBFWREUCZQO-SFHVURJKSA-N 1 1 383.492 3.895 20 5 GHBDMO Cc1cc(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c[nH+]c1N1CCCC[C@@H]1C ZINC000503288540 847562103 /nfs/dbraw/zinc/56/21/03/847562103.db2.gz WGBCIWSHUCCTMN-ZDUSSCGKSA-N 1 1 397.435 3.752 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)CC23CCC3)cc1OC ZINC000420995264 847617526 /nfs/dbraw/zinc/61/75/26/847617526.db2.gz OLIFCLHGERTZJC-WBVHZDCISA-N 1 1 392.496 3.908 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)CC23CCC3)cc1OC ZINC000420995264 847617528 /nfs/dbraw/zinc/61/75/28/847617528.db2.gz OLIFCLHGERTZJC-WBVHZDCISA-N 1 1 392.496 3.908 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000503462808 847718236 /nfs/dbraw/zinc/71/82/36/847718236.db2.gz OLYBDKDHTSVNQX-IBGZPJMESA-N 1 1 397.475 3.736 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000503542349 847774702 /nfs/dbraw/zinc/77/47/02/847774702.db2.gz VCXFCGSMDXOYQY-UHFFFAOYSA-N 1 1 377.238 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000503542349 847774705 /nfs/dbraw/zinc/77/47/05/847774705.db2.gz VCXFCGSMDXOYQY-UHFFFAOYSA-N 1 1 377.238 3.794 20 5 GHBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000479671394 847795668 /nfs/dbraw/zinc/79/56/68/847795668.db2.gz KMQWPHJEENDXEY-OXQOHEQNSA-N 1 1 396.491 3.613 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc(Br)c1OC ZINC000480041684 848034059 /nfs/dbraw/zinc/03/40/59/848034059.db2.gz FWKSQIRSGMYIDD-UHFFFAOYSA-N 1 1 399.216 3.803 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)[C@H]1c1cccs1 ZINC000611709355 848064404 /nfs/dbraw/zinc/06/44/04/848064404.db2.gz TXCVEUNPJDKERX-ACJLOTCBSA-N 1 1 383.477 3.516 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611704881 848212115 /nfs/dbraw/zinc/21/21/15/848212115.db2.gz CZNAWHBUHXKGAK-MRXNPFEDSA-N 1 1 377.448 3.639 20 5 GHBDMO CC[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000161210342 848550447 /nfs/dbraw/zinc/55/04/47/848550447.db2.gz POWVWXVMPZALDG-QFIPXVFZSA-N 1 1 383.492 3.792 20 5 GHBDMO COc1cccc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000582930498 848714592 /nfs/dbraw/zinc/71/45/92/848714592.db2.gz LCIHWSHTEXTEKE-UHFFFAOYSA-N 1 1 377.391 3.958 20 5 GHBDMO O=C(C[NH+]1CCC(Cc2ccccc2F)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001167648334 848886123 /nfs/dbraw/zinc/88/61/23/848886123.db2.gz SMEDYOBEDBYQTR-UHFFFAOYSA-N 1 1 397.450 3.578 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])cc1 ZINC000604199949 861968057 /nfs/dbraw/zinc/96/80/57/861968057.db2.gz XWTMLQARNPCXPX-INIZCTEOSA-N 1 1 385.489 3.878 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247969500 849083613 /nfs/dbraw/zinc/08/36/13/849083613.db2.gz FKFVDUWTXINRBG-JVPBZIDWSA-N 1 1 385.489 3.637 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000132348189 862029043 /nfs/dbraw/zinc/02/90/43/862029043.db2.gz QNRYVPUYBUBFLY-SJLPKXTDSA-N 1 1 397.475 3.729 20 5 GHBDMO O=[N+]([O-])c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2nonc21 ZINC000732049667 862059161 /nfs/dbraw/zinc/05/91/61/862059161.db2.gz YOOCZFAVPNPFMQ-MQVJKMGUSA-N 1 1 379.420 3.739 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000434894057 849863534 /nfs/dbraw/zinc/86/35/34/849863534.db2.gz CYTAFPQCXGTTBV-QAPCUYQASA-N 1 1 383.448 3.810 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000434894057 849863538 /nfs/dbraw/zinc/86/35/38/849863538.db2.gz CYTAFPQCXGTTBV-QAPCUYQASA-N 1 1 383.448 3.810 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2CCc3ccc(F)c(F)c3C2)cccc1[N+](=O)[O-] ZINC000486793690 850101464 /nfs/dbraw/zinc/10/14/64/850101464.db2.gz YHNBKMVMLQBORE-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCc3ccc(F)c(F)c3C2)cccc1[N+](=O)[O-] ZINC000486793690 850101466 /nfs/dbraw/zinc/10/14/66/850101466.db2.gz YHNBKMVMLQBORE-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000518804012 850151147 /nfs/dbraw/zinc/15/11/47/850151147.db2.gz YQYAKWAEEUCADG-HNNXBMFYSA-N 1 1 385.439 3.896 20 5 GHBDMO CC1CC[NH+]([C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)c2cccs2)CC1 ZINC000027573659 850424777 /nfs/dbraw/zinc/42/47/77/850424777.db2.gz VIFWNPUXFLAHMP-ZDUSSCGKSA-N 1 1 379.507 3.921 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000425421644 851008426 /nfs/dbraw/zinc/00/84/26/851008426.db2.gz ODDINUODKRBFHD-DYVFJYSZSA-N 1 1 394.313 3.806 20 5 GHBDMO C[N@@H+]1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000425443238 851096066 /nfs/dbraw/zinc/09/60/66/851096066.db2.gz LIEUMRUULCNXPL-SJLPKXTDSA-N 1 1 390.281 3.892 20 5 GHBDMO C[N@H+]1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000425443238 851096070 /nfs/dbraw/zinc/09/60/70/851096070.db2.gz LIEUMRUULCNXPL-SJLPKXTDSA-N 1 1 390.281 3.892 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C ZINC000488037828 851099217 /nfs/dbraw/zinc/09/92/17/851099217.db2.gz WRJJMYFNYBATAN-CYBMUJFWSA-N 1 1 375.400 3.510 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C ZINC000488037828 851099225 /nfs/dbraw/zinc/09/92/25/851099225.db2.gz WRJJMYFNYBATAN-CYBMUJFWSA-N 1 1 375.400 3.510 20 5 GHBDMO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000425464703 851198801 /nfs/dbraw/zinc/19/88/01/851198801.db2.gz XZLHMHGMLKARMY-NPMXOYFQSA-N 1 1 397.294 3.567 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436136532 851247682 /nfs/dbraw/zinc/24/76/82/851247682.db2.gz HPYXMCSVEAWRMX-JKSUJKDBSA-N 1 1 377.488 3.532 20 5 GHBDMO Cc1ccc(C[NH2+][C@@H](CCO)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000514246886 851470768 /nfs/dbraw/zinc/47/07/68/851470768.db2.gz RWWXRYGUOBGCHM-INIZCTEOSA-N 1 1 379.254 3.879 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000488480547 851550821 /nfs/dbraw/zinc/55/08/21/851550821.db2.gz CWUMLEQYUXKHLP-KUHUBIRLSA-N 1 1 387.867 3.889 20 5 GHBDMO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000101593632 851733939 /nfs/dbraw/zinc/73/39/39/851733939.db2.gz ZTXZEDMHVSIOJV-LJQANCHMSA-N 1 1 397.475 3.837 20 5 GHBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@@H](C)C1 ZINC000488764978 851754230 /nfs/dbraw/zinc/75/42/30/851754230.db2.gz LZMVALYRGQAXDL-ABSDTBQOSA-N 1 1 396.491 3.735 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000543559818 851842660 /nfs/dbraw/zinc/84/26/60/851842660.db2.gz TVMLOHUAXKJNKU-IBGZPJMESA-N 1 1 397.475 3.565 20 5 GHBDMO Cc1ccc(O[C@H](C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000516100397 852139520 /nfs/dbraw/zinc/13/95/20/852139520.db2.gz OGWAPQUDXBSYNG-UZLBHIALSA-N 1 1 380.448 3.783 20 5 GHBDMO COc1cc(CNCC2([NH+](C)C)CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438348547 852296911 /nfs/dbraw/zinc/29/69/11/852296911.db2.gz SMUKWOBXTJOXLA-UHFFFAOYSA-N 1 1 399.491 3.756 20 5 GHBDMO CNC(=O)C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000481823800 862350181 /nfs/dbraw/zinc/35/01/81/862350181.db2.gz KQSRDPWEVNBWGL-LJQANCHMSA-N 1 1 379.416 3.822 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000507021775 852463487 /nfs/dbraw/zinc/46/34/87/852463487.db2.gz LGIIBDGTOSXFIC-RHSMWYFYSA-N 1 1 380.448 3.727 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000505905918 852548364 /nfs/dbraw/zinc/54/83/64/852548364.db2.gz JSRSTNVNKOHRTI-HOTGVXAUSA-N 1 1 384.480 3.803 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000505930692 852628628 /nfs/dbraw/zinc/62/86/28/852628628.db2.gz QTFJXRBMUJAPDD-HUUCEWRRSA-N 1 1 379.526 3.947 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489895151 852628876 /nfs/dbraw/zinc/62/88/76/852628876.db2.gz XMUYEUQCKNKKDD-LPHOPBHVSA-N 1 1 382.464 3.538 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556868687 862377251 /nfs/dbraw/zinc/37/72/51/862377251.db2.gz AHZYPUNJJQLDJT-LPHOPBHVSA-N 1 1 385.512 3.518 20 5 GHBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000490050111 852735543 /nfs/dbraw/zinc/73/55/43/852735543.db2.gz ZQSAAXIQIHLJOA-SECBINFHSA-N 1 1 388.371 3.750 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490085511 852763075 /nfs/dbraw/zinc/76/30/75/852763075.db2.gz WUQXQOGYAGRICU-RDJZCZTQSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490085511 852763078 /nfs/dbraw/zinc/76/30/78/852763078.db2.gz WUQXQOGYAGRICU-RDJZCZTQSA-N 1 1 383.448 3.728 20 5 GHBDMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000507302449 852779445 /nfs/dbraw/zinc/77/94/45/852779445.db2.gz MGBUSGDOIZOUPR-MAUKXSAKSA-N 1 1 383.448 3.598 20 5 GHBDMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000507302449 852779449 /nfs/dbraw/zinc/77/94/49/852779449.db2.gz MGBUSGDOIZOUPR-MAUKXSAKSA-N 1 1 383.448 3.598 20 5 GHBDMO Cc1ccc([C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000437348039 853029444 /nfs/dbraw/zinc/02/94/44/853029444.db2.gz ORULHOMVBWBNNO-XUYSBGGMSA-N 1 1 388.489 3.680 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000507623224 853098177 /nfs/dbraw/zinc/09/81/77/853098177.db2.gz YBBUXIMSXADMGL-KXBFYZLASA-N 1 1 394.475 3.734 20 5 GHBDMO C[C@@]1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000490612614 853136281 /nfs/dbraw/zinc/13/62/81/853136281.db2.gz ZQKJGQVCIRACPA-QFIPXVFZSA-N 1 1 381.476 3.698 20 5 GHBDMO C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000437586880 853302819 /nfs/dbraw/zinc/30/28/19/853302819.db2.gz FFQKZUAGOAKXBN-LAUBAEHRSA-N 1 1 399.516 3.925 20 5 GHBDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000517058532 853313016 /nfs/dbraw/zinc/31/30/16/853313016.db2.gz JXIWETOYXNQHFS-IBVHEGNQSA-N 1 1 382.460 3.650 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067361720 853452384 /nfs/dbraw/zinc/45/23/84/853452384.db2.gz LRJNZFYMBBBSPX-SFHVURJKSA-N 1 1 397.475 3.636 20 5 GHBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426328830 853473756 /nfs/dbraw/zinc/47/37/56/853473756.db2.gz DWUBCSAQMQYAPE-SFHVURJKSA-N 1 1 397.475 3.778 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000439270691 853497343 /nfs/dbraw/zinc/49/73/43/853497343.db2.gz HYURDGXQAZQNHM-QFIPXVFZSA-N 1 1 399.491 3.895 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437844498 853585691 /nfs/dbraw/zinc/58/56/91/853585691.db2.gz UWSAJQDRMWRNNK-MAUKXSAKSA-N 1 1 391.537 3.989 20 5 GHBDMO COc1cc(C[N@H+](C)CCOc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000506159366 853659752 /nfs/dbraw/zinc/65/97/52/853659752.db2.gz GUMBMEDNPNAMDI-UHFFFAOYSA-N 1 1 380.828 3.776 20 5 GHBDMO COc1cc(C[N@@H+](C)CCOc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000506159366 853659759 /nfs/dbraw/zinc/65/97/59/853659759.db2.gz GUMBMEDNPNAMDI-UHFFFAOYSA-N 1 1 380.828 3.776 20 5 GHBDMO CC[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000517344704 853690864 /nfs/dbraw/zinc/69/08/64/853690864.db2.gz OWEQHTBEQDRCPX-INIZCTEOSA-N 1 1 380.448 3.650 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccccc1N(C)C ZINC000588978563 854623862 /nfs/dbraw/zinc/62/38/62/854623862.db2.gz SUOKAVXWAZLDLR-ZDUSSCGKSA-N 1 1 390.871 3.773 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1N(C)C ZINC000588978563 854623867 /nfs/dbraw/zinc/62/38/67/854623867.db2.gz SUOKAVXWAZLDLR-ZDUSSCGKSA-N 1 1 390.871 3.773 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000589254061 854762681 /nfs/dbraw/zinc/76/26/81/854762681.db2.gz VWGNUZHULWHEJQ-LBPRGKRZSA-N 1 1 398.200 3.782 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000589254061 854762684 /nfs/dbraw/zinc/76/26/84/854762684.db2.gz VWGNUZHULWHEJQ-LBPRGKRZSA-N 1 1 398.200 3.782 20 5 GHBDMO C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248389090 854835269 /nfs/dbraw/zinc/83/52/69/854835269.db2.gz ALBZNSCGAKWPFX-PMPSAXMXSA-N 1 1 391.537 3.845 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000589494538 854907406 /nfs/dbraw/zinc/90/74/06/854907406.db2.gz XZTBSBMMKANZOG-HNNXBMFYSA-N 1 1 395.415 3.902 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000589501646 854911438 /nfs/dbraw/zinc/91/14/38/854911438.db2.gz UUHLYXSWASHMPS-HXUWFJFHSA-N 1 1 398.459 3.605 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000589501646 854911445 /nfs/dbraw/zinc/91/14/45/854911445.db2.gz UUHLYXSWASHMPS-HXUWFJFHSA-N 1 1 398.459 3.605 20 5 GHBDMO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000553526225 855094292 /nfs/dbraw/zinc/09/42/92/855094292.db2.gz VLOYUWDHDWXZSJ-GFCCVEGCSA-N 1 1 385.386 3.560 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000057005412 855163062 /nfs/dbraw/zinc/16/30/62/855163062.db2.gz MXYKYHGPZVLEPQ-QGZVFWFLSA-N 1 1 396.491 3.969 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301505865 855186895 /nfs/dbraw/zinc/18/68/95/855186895.db2.gz CSHYTZKUIDXHDT-WMLDXEAASA-N 1 1 393.447 3.566 20 5 GHBDMO Cc1cc2c(ncnc2N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000438554222 855211480 /nfs/dbraw/zinc/21/14/80/855211480.db2.gz UQDHPFSNHJQZGL-XQRVVYSFSA-N 1 1 395.488 3.743 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2C[C@H](c3cccc(OC)c3)C2)c1 ZINC000590663237 855537289 /nfs/dbraw/zinc/53/72/89/855537289.db2.gz HDVKQKCPROQOER-SAABIXHNSA-N 1 1 384.432 3.768 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000553934372 855693104 /nfs/dbraw/zinc/69/31/04/855693104.db2.gz FIYOXLFIQDXQBU-ROUUACIJSA-N 1 1 399.491 3.718 20 5 GHBDMO CC[NH+](CC)CC1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000057847361 855762842 /nfs/dbraw/zinc/76/28/42/855762842.db2.gz ZQESPIIZMPDOHN-OAHLLOKOSA-N 1 1 387.484 3.760 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000554641605 855929602 /nfs/dbraw/zinc/92/96/02/855929602.db2.gz LNFGVBLNOBXONT-NQSCKRDGSA-N 1 1 395.503 3.943 20 5 GHBDMO Cn1cc([C@@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2(C)C)cn1 ZINC000573309855 856070783 /nfs/dbraw/zinc/07/07/83/856070783.db2.gz AHGCDGTZHXSMSH-SFHVURJKSA-N 1 1 381.436 3.609 20 5 GHBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000058276559 856431919 /nfs/dbraw/zinc/43/19/19/856431919.db2.gz FPIVDTILOORXTA-GOSISDBHSA-N 1 1 396.491 3.669 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000482209442 862810987 /nfs/dbraw/zinc/81/09/87/862810987.db2.gz LBNAEDUNPBJKPX-YRNRMSPPSA-N 1 1 382.464 3.618 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(Cl)cn1)[C@H]1CC[C@H](O)CC1 ZINC000592133584 856662138 /nfs/dbraw/zinc/66/21/38/856662138.db2.gz YEMUEOCANFNKCY-IYARVYRRSA-N 1 1 375.856 3.949 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(Cl)cn1)[C@H]1CC[C@H](O)CC1 ZINC000592133584 856662140 /nfs/dbraw/zinc/66/21/40/856662140.db2.gz YEMUEOCANFNKCY-IYARVYRRSA-N 1 1 375.856 3.949 20 5 GHBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000427832787 856783230 /nfs/dbraw/zinc/78/32/30/856783230.db2.gz UZOQMAKMQQDMSI-QFBILLFUSA-N 1 1 397.475 3.901 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173280806 856830193 /nfs/dbraw/zinc/83/01/93/856830193.db2.gz WCMPTONPRVRTFK-AWEZNQCLSA-N 1 1 385.386 3.608 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000508056129 856861359 /nfs/dbraw/zinc/86/13/59/856861359.db2.gz ZGEZMWCYZLZQEI-UHFFFAOYSA-N 1 1 396.447 3.645 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000245483017 856899926 /nfs/dbraw/zinc/89/99/26/856899926.db2.gz DTFVQAOAGXJPJK-UTKZUKDTSA-N 1 1 397.475 3.941 20 5 GHBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173906410 857180050 /nfs/dbraw/zinc/18/00/50/857180050.db2.gz LREWNDSBMMWFPT-UHFFFAOYSA-N 1 1 393.443 3.679 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173906410 857180056 /nfs/dbraw/zinc/18/00/56/857180056.db2.gz LREWNDSBMMWFPT-UHFFFAOYSA-N 1 1 393.443 3.679 20 5 GHBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301698027 857217222 /nfs/dbraw/zinc/21/72/22/857217222.db2.gz CBCMCTWVXOZTEX-OALUTQOASA-N 1 1 379.460 3.746 20 5 GHBDMO COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000043343035 857372552 /nfs/dbraw/zinc/37/25/52/857372552.db2.gz BGFUTVPTAFFGJT-INIZCTEOSA-N 1 1 392.843 3.681 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000552961656 857373232 /nfs/dbraw/zinc/37/32/32/857373232.db2.gz LDAWCLIJAHISBA-AWEZNQCLSA-N 1 1 384.436 3.894 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246430620 857374458 /nfs/dbraw/zinc/37/44/58/857374458.db2.gz KHSCGZBNINWRNT-RDTXWAMCSA-N 1 1 389.477 3.755 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246430620 857374462 /nfs/dbraw/zinc/37/44/62/857374462.db2.gz KHSCGZBNINWRNT-RDTXWAMCSA-N 1 1 389.477 3.755 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001128251048 857392503 /nfs/dbraw/zinc/39/25/03/857392503.db2.gz IZHIPXZMNNUVLF-YXAHYSCSSA-N 1 1 381.476 3.881 20 5 GHBDMO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429255238 857436845 /nfs/dbraw/zinc/43/68/45/857436845.db2.gz GZVUFZVAGZOZLJ-UHFFFAOYSA-N 1 1 381.885 3.793 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000130948225 857552139 /nfs/dbraw/zinc/55/21/39/857552139.db2.gz BFEVELDJXFJAFO-GOSISDBHSA-N 1 1 387.486 3.527 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000130948225 857552146 /nfs/dbraw/zinc/55/21/46/857552146.db2.gz BFEVELDJXFJAFO-GOSISDBHSA-N 1 1 387.486 3.527 20 5 GHBDMO Cc1c(CC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000438899564 857591513 /nfs/dbraw/zinc/59/15/13/857591513.db2.gz YYGCGOAFBVSLOR-KRWDZBQOSA-N 1 1 395.503 3.994 20 5 GHBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000046403938 857681050 /nfs/dbraw/zinc/68/10/50/857681050.db2.gz KGYLRZCHDPJHKF-UHFFFAOYSA-N 1 1 388.855 3.642 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301805174 857847435 /nfs/dbraw/zinc/84/74/35/857847435.db2.gz XOLMKJTXAQUTPP-SWLSCSKDSA-N 1 1 380.286 3.810 20 5 GHBDMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000487417242 857883640 /nfs/dbraw/zinc/88/36/40/857883640.db2.gz VXGQVUXGNJLHNL-UHFFFAOYSA-N 1 1 392.459 3.697 20 5 GHBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301866618 858362017 /nfs/dbraw/zinc/36/20/17/858362017.db2.gz NHBQQEAJFXAJBB-QGZVFWFLSA-N 1 1 389.459 3.935 20 5 GHBDMO Cc1ccc([C@@H](CNc2c(Br)cncc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000301863091 858363056 /nfs/dbraw/zinc/36/30/56/858363056.db2.gz FGAVNRATRFQUPN-CYBMUJFWSA-N 1 1 395.257 3.903 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C)cc1N1CCOCC1 ZINC000595009067 858365157 /nfs/dbraw/zinc/36/51/57/858365157.db2.gz BISQKENZSGCSMO-MRXNPFEDSA-N 1 1 385.464 3.599 20 5 GHBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134270326 858397664 /nfs/dbraw/zinc/39/76/64/858397664.db2.gz FJQAZZYGJYIYID-UHFFFAOYSA-N 1 1 397.406 3.889 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134270326 858397673 /nfs/dbraw/zinc/39/76/73/858397673.db2.gz FJQAZZYGJYIYID-UHFFFAOYSA-N 1 1 397.406 3.889 20 5 GHBDMO CC[C@H](CC(F)F)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000595432005 858528382 /nfs/dbraw/zinc/52/83/82/858528382.db2.gz IQQFHVPVLJHLOB-CYBMUJFWSA-N 1 1 381.427 3.665 20 5 GHBDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593089554 858630796 /nfs/dbraw/zinc/63/07/96/858630796.db2.gz BRBRFUSJRIXYLW-INIZCTEOSA-N 1 1 392.452 3.548 20 5 GHBDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593089554 858630802 /nfs/dbraw/zinc/63/08/02/858630802.db2.gz BRBRFUSJRIXYLW-INIZCTEOSA-N 1 1 392.452 3.548 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595767915 858664742 /nfs/dbraw/zinc/66/47/42/858664742.db2.gz QZXYNEPTAWWYIF-OAQYLSRUSA-N 1 1 383.448 3.596 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595786963 858687826 /nfs/dbraw/zinc/68/78/26/858687826.db2.gz DIVUKACZQFPSFL-TXPKVOOTSA-N 1 1 375.469 3.511 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000171110397 863053266 /nfs/dbraw/zinc/05/32/66/863053266.db2.gz BGGFPFHCMXIZCN-UHFFFAOYSA-N 1 1 383.383 3.559 20 5 GHBDMO O=c1[nH]ccc(NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000596123669 858785383 /nfs/dbraw/zinc/78/53/83/858785383.db2.gz ZEVFCSHCNQOXID-OAHLLOKOSA-N 1 1 376.844 3.815 20 5 GHBDMO C[N@H+]1CC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000596177288 858814825 /nfs/dbraw/zinc/81/48/25/858814825.db2.gz DGDCOBFENVRFIM-NHYWBVRUSA-N 1 1 380.807 3.593 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499682457 858826784 /nfs/dbraw/zinc/82/67/84/858826784.db2.gz YAVZDCNQIKNVIM-HNNXBMFYSA-N 1 1 388.493 3.713 20 5 GHBDMO Cc1ccc(SCCNC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429266036 858863440 /nfs/dbraw/zinc/86/34/40/858863440.db2.gz VSJAYMCJSQABFA-UHFFFAOYSA-N 1 1 387.505 3.636 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000522238130 858886694 /nfs/dbraw/zinc/88/66/94/858886694.db2.gz KYEXMOYEMUMBQG-KRWDZBQOSA-N 1 1 396.491 3.969 20 5 GHBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482912582 858971353 /nfs/dbraw/zinc/97/13/53/858971353.db2.gz SBDOBCQNSPTXAJ-OAHLLOKOSA-N 1 1 379.888 3.562 20 5 GHBDMO CCN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000596748924 859042523 /nfs/dbraw/zinc/04/25/23/859042523.db2.gz PNNGBHOVURJXLH-KRWDZBQOSA-N 1 1 384.436 3.945 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](C)C/C(C)=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000494262642 881377950 /nfs/dbraw/zinc/37/79/50/881377950.db2.gz QFAZAWNMQJUSNT-FOWTUZBSSA-N 1 1 383.448 3.967 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C/C(C)=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000494262642 881377984 /nfs/dbraw/zinc/37/79/84/881377984.db2.gz QFAZAWNMQJUSNT-FOWTUZBSSA-N 1 1 383.448 3.967 20 5 GHBDMO O=[N+]([O-])c1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn2ccnc12 ZINC001170333691 881379129 /nfs/dbraw/zinc/37/91/29/881379129.db2.gz SFLHVYPJSWDYCR-LUPIEILUSA-N 1 1 377.448 3.850 20 5 GHBDMO CCCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160771142 859179719 /nfs/dbraw/zinc/17/97/19/859179719.db2.gz FOYQQXSAFFBSJA-OAHLLOKOSA-N 1 1 392.477 3.644 20 5 GHBDMO CCCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160771142 859179729 /nfs/dbraw/zinc/17/97/29/859179729.db2.gz FOYQQXSAFFBSJA-OAHLLOKOSA-N 1 1 392.477 3.644 20 5 GHBDMO Cc1n[nH]cc1CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000509371454 859209425 /nfs/dbraw/zinc/20/94/25/859209425.db2.gz JRYVXKWCBCQOIL-UHFFFAOYSA-N 1 1 397.504 3.673 20 5 GHBDMO COCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000483409292 859344153 /nfs/dbraw/zinc/34/41/53/859344153.db2.gz ARCBBCKQJORWPW-GXTWGEPZSA-N 1 1 388.411 3.842 20 5 GHBDMO COc1ccc(C[N@@H+](C)C2(CO)CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597256059 859381565 /nfs/dbraw/zinc/38/15/65/859381565.db2.gz RXIJNLNTCRNGMA-UHFFFAOYSA-N 1 1 386.448 3.529 20 5 GHBDMO CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544877897 859419341 /nfs/dbraw/zinc/41/93/41/859419341.db2.gz WGTVJBKNKZRXEH-KRWDZBQOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117757069 859610449 /nfs/dbraw/zinc/61/04/49/859610449.db2.gz FUDHSOJXRVUXBZ-GASCZTMLSA-N 1 1 381.904 3.665 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cc(C)ncn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611134768 859616913 /nfs/dbraw/zinc/61/69/13/859616913.db2.gz NGDXDIYXZZOVRA-UHFFFAOYSA-N 1 1 394.431 3.571 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611200890 859647910 /nfs/dbraw/zinc/64/79/10/859647910.db2.gz ZBGUJHHOUTWPAP-GJZGRUSLSA-N 1 1 389.521 3.986 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000474231882 859654719 /nfs/dbraw/zinc/65/47/19/859654719.db2.gz LVBPKXZURNOSGD-QFBILLFUSA-N 1 1 397.431 3.703 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000474231882 859654727 /nfs/dbraw/zinc/65/47/27/859654727.db2.gz LVBPKXZURNOSGD-QFBILLFUSA-N 1 1 397.431 3.703 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(OC3CCCCC3)CC1)OCCO2 ZINC000611266903 859672753 /nfs/dbraw/zinc/67/27/53/859672753.db2.gz DKYHHZACXUVCIJ-UHFFFAOYSA-N 1 1 376.453 3.680 20 5 GHBDMO COc1cc(C[N@H+]2CCCOC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611272422 859676081 /nfs/dbraw/zinc/67/60/81/859676081.db2.gz JSTAVJPUGDFBAO-MRXNPFEDSA-N 1 1 386.448 3.793 20 5 GHBDMO CC(C)c1ccc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000552110656 859806374 /nfs/dbraw/zinc/80/63/74/859806374.db2.gz YPODNZXIAMYJDH-OAQYLSRUSA-N 1 1 381.476 3.651 20 5 GHBDMO CC(C)c1ccc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000552110656 859806379 /nfs/dbraw/zinc/80/63/79/859806379.db2.gz YPODNZXIAMYJDH-OAQYLSRUSA-N 1 1 381.476 3.651 20 5 GHBDMO C[C@H](OC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000132585354 859830625 /nfs/dbraw/zinc/83/06/25/859830625.db2.gz STQYWMHRXZXQQA-VBKZILBWSA-N 1 1 390.867 3.745 20 5 GHBDMO C[C@H](OC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000132585354 859830631 /nfs/dbraw/zinc/83/06/31/859830631.db2.gz STQYWMHRXZXQQA-VBKZILBWSA-N 1 1 390.867 3.745 20 5 GHBDMO C[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001127883968 860029917 /nfs/dbraw/zinc/02/99/17/860029917.db2.gz XPRNDCVTBNDOAR-HOCLYGCPSA-N 1 1 396.491 3.713 20 5 GHBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000123689643 860040530 /nfs/dbraw/zinc/04/05/30/860040530.db2.gz PAFHFCIGQBZUIZ-UHFFFAOYSA-N 1 1 391.309 3.755 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cc1OC ZINC000602504176 860079635 /nfs/dbraw/zinc/07/96/35/860079635.db2.gz LIRPHZVKHKCZNM-UHFFFAOYSA-N 1 1 387.255 3.726 20 5 GHBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542654643 860113978 /nfs/dbraw/zinc/11/39/78/860113978.db2.gz IFJXABLNYSJKBI-AWEZNQCLSA-N 1 1 377.510 3.653 20 5 GHBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542654643 860113983 /nfs/dbraw/zinc/11/39/83/860113983.db2.gz IFJXABLNYSJKBI-AWEZNQCLSA-N 1 1 377.510 3.653 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000602660463 860196592 /nfs/dbraw/zinc/19/65/92/860196592.db2.gz DBIDDAHEBYUBBU-PWSUYJOCSA-N 1 1 386.292 3.606 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000602660463 860196596 /nfs/dbraw/zinc/19/65/96/860196596.db2.gz DBIDDAHEBYUBBU-PWSUYJOCSA-N 1 1 386.292 3.606 20 5 GHBDMO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602720454 860231196 /nfs/dbraw/zinc/23/11/96/860231196.db2.gz HJSBITJQSVHBRT-UHFFFAOYSA-N 1 1 382.264 3.656 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000555229436 860279846 /nfs/dbraw/zinc/27/98/46/860279846.db2.gz IYDMSEIUOJDRQD-IBGZPJMESA-N 1 1 396.491 3.639 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000598509163 860370140 /nfs/dbraw/zinc/37/01/40/860370140.db2.gz JFTJMAOMEIDMDV-AWEZNQCLSA-N 1 1 393.365 3.618 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000598509163 860370150 /nfs/dbraw/zinc/37/01/50/860370150.db2.gz JFTJMAOMEIDMDV-AWEZNQCLSA-N 1 1 393.365 3.618 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000542664528 860459748 /nfs/dbraw/zinc/45/97/48/860459748.db2.gz ZPRHNAWLKBWGMJ-LSDHHAIUSA-N 1 1 384.436 3.943 20 5 GHBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000484957046 860536500 /nfs/dbraw/zinc/53/65/00/860536500.db2.gz DKUYYADZPHXJAR-UHFFFAOYSA-N 1 1 396.491 3.763 20 5 GHBDMO Cc1nn(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761290604 860600085 /nfs/dbraw/zinc/60/00/85/860600085.db2.gz LHRIEMHTOQNSRA-AEFFLSMTSA-N 1 1 385.512 3.797 20 5 GHBDMO COc1ccc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)nc1 ZINC000593644013 860667650 /nfs/dbraw/zinc/66/76/50/860667650.db2.gz KURTVROWUOZTMK-UHFFFAOYSA-N 1 1 393.390 3.979 20 5 GHBDMO O=C(CC[N@H+]1CCc2ccccc2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000474733571 860690785 /nfs/dbraw/zinc/69/07/85/860690785.db2.gz ACNGCEFXKVVBAS-UHFFFAOYSA-N 1 1 379.460 3.534 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000155175993 881584259 /nfs/dbraw/zinc/58/42/59/881584259.db2.gz LWPDSZUXGOUHKA-UTKZUKDTSA-N 1 1 381.476 3.554 20 5 GHBDMO C[N@@H+](CCc1ccc(Br)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000730255644 860976021 /nfs/dbraw/zinc/97/60/21/860976021.db2.gz WBNQUNAJVXPJOI-UHFFFAOYSA-N 1 1 389.253 3.839 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185625521 861096286 /nfs/dbraw/zinc/09/62/86/861096286.db2.gz UPNRUCCJVPCMHI-JTQLQIEISA-N 1 1 386.374 3.830 20 5 GHBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000302051654 861189121 /nfs/dbraw/zinc/18/91/21/861189121.db2.gz OGESZHODQOQCOS-NEPJUHHUSA-N 1 1 383.290 3.817 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1Cl ZINC000195244137 881625545 /nfs/dbraw/zinc/62/55/45/881625545.db2.gz UXWBSCKNCXIEHT-SFHVURJKSA-N 1 1 386.839 3.762 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](COCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000444162986 863570460 /nfs/dbraw/zinc/57/04/60/863570460.db2.gz AJRMYWYVNOIYGF-HKUYNNGSSA-N 1 1 397.475 3.769 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444183055 863619917 /nfs/dbraw/zinc/61/99/17/863619917.db2.gz MAWWHXGENQBDFK-CXAGYDPISA-N 1 1 386.477 3.921 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H]2CCC[C@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444183055 863619923 /nfs/dbraw/zinc/61/99/23/863619923.db2.gz MAWWHXGENQBDFK-CXAGYDPISA-N 1 1 386.477 3.921 20 5 GHBDMO CC[C@@H](C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000121242266 863817890 /nfs/dbraw/zinc/81/78/90/863817890.db2.gz XVUBSLPSTSAKNB-OAHLLOKOSA-N 1 1 396.447 3.511 20 5 GHBDMO CC[C@@H](C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000121242266 863817900 /nfs/dbraw/zinc/81/79/00/863817900.db2.gz XVUBSLPSTSAKNB-OAHLLOKOSA-N 1 1 396.447 3.511 20 5 GHBDMO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000480073347 863998139 /nfs/dbraw/zinc/99/81/39/863998139.db2.gz QZPZZKDJKHYBOM-UHFFFAOYSA-N 1 1 394.468 3.595 20 5 GHBDMO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc2ccccc2s1 ZINC000734158400 864036488 /nfs/dbraw/zinc/03/64/88/864036488.db2.gz HMYSRWMDOQRTNW-MLGOLLRUSA-N 1 1 382.445 3.661 20 5 GHBDMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000172904592 864105332 /nfs/dbraw/zinc/10/53/32/864105332.db2.gz RDTFUVWDDJVKLV-IBGZPJMESA-N 1 1 392.463 3.714 20 5 GHBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000172904592 864105338 /nfs/dbraw/zinc/10/53/38/864105338.db2.gz RDTFUVWDDJVKLV-IBGZPJMESA-N 1 1 392.463 3.714 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000734300759 864135019 /nfs/dbraw/zinc/13/50/19/864135019.db2.gz UUKJIHKVEAOWKB-QGZVFWFLSA-N 1 1 384.432 3.672 20 5 GHBDMO Cc1cn(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000734477967 864263156 /nfs/dbraw/zinc/26/31/56/864263156.db2.gz WNJVXIQDNWELPF-VQIMIIECSA-N 1 1 392.459 3.691 20 5 GHBDMO Cc1cn(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000734477967 864263170 /nfs/dbraw/zinc/26/31/70/864263170.db2.gz WNJVXIQDNWELPF-VQIMIIECSA-N 1 1 392.459 3.691 20 5 GHBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897144608 864650268 /nfs/dbraw/zinc/65/02/68/864650268.db2.gz SJLAPUJDNPMWBR-UHFFFAOYSA-N 1 1 389.214 3.708 20 5 GHBDMO C[C@]12CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@H]1C2(Cl)Cl ZINC000792902015 881788378 /nfs/dbraw/zinc/78/83/78/881788378.db2.gz KPOCPBBNGPAYDB-HIFRSBDPSA-N 1 1 390.242 3.578 20 5 GHBDMO CCC[NH+]1CCN(c2ccccc2CNCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000480445201 864669924 /nfs/dbraw/zinc/66/99/24/864669924.db2.gz OHPFWITZFRJDLA-UHFFFAOYSA-N 1 1 382.508 3.725 20 5 GHBDMO Cc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)n1 ZINC000480512526 864783930 /nfs/dbraw/zinc/78/39/30/864783930.db2.gz GMHGGIDRQCHXLJ-UHFFFAOYSA-N 1 1 394.397 3.948 20 5 GHBDMO C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184913130 865038794 /nfs/dbraw/zinc/03/87/94/865038794.db2.gz RYFYEPYDBQFVSO-KZULUSFZSA-N 1 1 393.846 3.910 20 5 GHBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000899134575 865336285 /nfs/dbraw/zinc/33/62/85/865336285.db2.gz MPKPKARXMVXXNW-SECBINFHSA-N 1 1 378.231 3.502 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000741123455 866249241 /nfs/dbraw/zinc/24/92/41/866249241.db2.gz GQFURPKGNULQCN-FXAWDEMLSA-N 1 1 384.432 3.762 20 5 GHBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c2C1 ZINC000609063842 866292870 /nfs/dbraw/zinc/29/28/70/866292870.db2.gz RFPDYOOTQONNKW-UHFFFAOYSA-N 1 1 397.431 3.938 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000475583022 866434280 /nfs/dbraw/zinc/43/42/80/866434280.db2.gz VFTCOHBFFAESPK-CYBMUJFWSA-N 1 1 392.839 3.993 20 5 GHBDMO COc1cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000534349829 866599133 /nfs/dbraw/zinc/59/91/33/866599133.db2.gz SSSGOLRHWUEIFP-GHMZBOCLSA-N 1 1 394.415 3.870 20 5 GHBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000478793748 866644200 /nfs/dbraw/zinc/64/42/00/866644200.db2.gz JFAPDHCJICVFEH-QFBILLFUSA-N 1 1 382.464 3.538 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000534545587 867019801 /nfs/dbraw/zinc/01/98/01/867019801.db2.gz ILXARIYKPQBQDA-LJQANCHMSA-N 1 1 397.475 3.736 20 5 GHBDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444666967 867036789 /nfs/dbraw/zinc/03/67/89/867036789.db2.gz UBKVCLUFCDVZML-INIZCTEOSA-N 1 1 390.447 3.794 20 5 GHBDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444666967 867036802 /nfs/dbraw/zinc/03/68/02/867036802.db2.gz UBKVCLUFCDVZML-INIZCTEOSA-N 1 1 390.447 3.794 20 5 GHBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cnn(Cc2ccccc2)c1 ZINC000444675201 867050699 /nfs/dbraw/zinc/05/06/99/867050699.db2.gz MUVUZRMTZVVEKJ-CQSZACIVSA-N 1 1 376.420 3.567 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000444929024 867477303 /nfs/dbraw/zinc/47/73/03/867477303.db2.gz WZTJFOWDFLXPON-UHFFFAOYSA-N 1 1 390.484 3.723 20 5 GHBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000457022919 867525167 /nfs/dbraw/zinc/52/51/67/867525167.db2.gz NLHBGAYLKQJJCU-HNNXBMFYSA-N 1 1 391.880 3.513 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442686131 867911689 /nfs/dbraw/zinc/91/16/89/867911689.db2.gz USDVKSRZBVDNCG-PBHICJAKSA-N 1 1 397.500 3.959 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c2c(c1)COCO2 ZINC000029825263 868790507 /nfs/dbraw/zinc/79/05/07/868790507.db2.gz CACIWMRHXIELOC-AWEZNQCLSA-N 1 1 395.415 3.982 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)C1 ZINC000744745805 869043265 /nfs/dbraw/zinc/04/32/65/869043265.db2.gz FFSABZDJWFTBTE-CQSZACIVSA-N 1 1 387.411 3.707 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000446183138 869513315 /nfs/dbraw/zinc/51/33/15/869513315.db2.gz OVWDOOBRYLNUOT-YOEHRIQHSA-N 1 1 387.867 3.949 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000446224632 869566569 /nfs/dbraw/zinc/56/65/69/869566569.db2.gz GFVDOQMEBXZCDC-XJKSGUPXSA-N 1 1 377.872 3.646 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000539672408 869588961 /nfs/dbraw/zinc/58/89/61/869588961.db2.gz WHUYVMCVJVJAAA-KGLIPLIRSA-N 1 1 377.510 3.842 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462623677 869782624 /nfs/dbraw/zinc/78/26/24/869782624.db2.gz VRQZJCUFZUQQEC-RBBKRZOGSA-N 1 1 395.503 3.896 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446486865 869919085 /nfs/dbraw/zinc/91/90/85/869919085.db2.gz XZMHLCMIQOMGDR-SJLPKXTDSA-N 1 1 382.464 3.935 20 5 GHBDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000746033531 869961254 /nfs/dbraw/zinc/96/12/54/869961254.db2.gz CIFXVMNVQFKAAK-UHFFFAOYSA-N 1 1 381.436 3.732 20 5 GHBDMO CCC[N@H+](Cc1ccc(OC)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000746033531 869961259 /nfs/dbraw/zinc/96/12/59/869961259.db2.gz CIFXVMNVQFKAAK-UHFFFAOYSA-N 1 1 381.436 3.732 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000462752836 870001150 /nfs/dbraw/zinc/00/11/50/870001150.db2.gz JFSIAUILGPIOJY-SFHVURJKSA-N 1 1 375.513 3.934 20 5 GHBDMO Cc1cccc(C2=CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1 ZINC000540043979 870289724 /nfs/dbraw/zinc/28/97/24/870289724.db2.gz OIYMIJHNHFMLJC-UHFFFAOYSA-N 1 1 393.443 3.991 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000441112881 870376378 /nfs/dbraw/zinc/37/63/78/870376378.db2.gz DSEWECKXHUURPA-OAQYLSRUSA-N 1 1 387.439 3.993 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000441112881 870376518 /nfs/dbraw/zinc/37/65/18/870376518.db2.gz DSEWECKXHUURPA-OAQYLSRUSA-N 1 1 387.439 3.993 20 5 GHBDMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc(F)ccc1[N+](=O)[O-] ZINC000804271193 870662978 /nfs/dbraw/zinc/66/29/78/870662978.db2.gz GYVJAZNBVBDKRM-KRWDZBQOSA-N 1 1 383.379 3.588 20 5 GHBDMO CC[N@@H+](Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCOC1 ZINC000463044241 870772151 /nfs/dbraw/zinc/77/21/51/870772151.db2.gz QIIXJPZHWDELNR-LJQANCHMSA-N 1 1 386.448 3.793 20 5 GHBDMO CC[N@@H+](Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCOC1 ZINC000463044240 870772457 /nfs/dbraw/zinc/77/24/57/870772457.db2.gz QIIXJPZHWDELNR-IBGZPJMESA-N 1 1 386.448 3.793 20 5 GHBDMO COc1ccc(OCC[N@H+](Cc2cccs2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000441185907 870940149 /nfs/dbraw/zinc/94/01/49/870940149.db2.gz BPZVXYINZSGKRK-MRXNPFEDSA-N 1 1 392.477 3.725 20 5 GHBDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001193271635 870993592 /nfs/dbraw/zinc/99/35/92/870993592.db2.gz BDNDCIZVMXXOMU-LSDHHAIUSA-N 1 1 383.448 3.940 20 5 GHBDMO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168980421 871053161 /nfs/dbraw/zinc/05/31/61/871053161.db2.gz DMHBETOSVAWGOG-NRUGXNMXSA-N 1 1 386.533 3.525 20 5 GHBDMO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168980420 871053886 /nfs/dbraw/zinc/05/38/86/871053886.db2.gz DMHBETOSVAWGOG-KMOPNRPKSA-N 1 1 386.533 3.525 20 5 GHBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC001169038333 871117311 /nfs/dbraw/zinc/11/73/11/871117311.db2.gz YFBHAQYLZZDZNT-DZGCQCFKSA-N 1 1 394.928 3.907 20 5 GHBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)C1 ZINC001169024857 871126106 /nfs/dbraw/zinc/12/61/06/871126106.db2.gz RPVNFBPLKXSUKD-BHIYHBOVSA-N 1 1 379.451 3.670 20 5 GHBDMO CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047588 871129312 /nfs/dbraw/zinc/12/93/12/871129312.db2.gz RKFAQGPYHVSMED-OJAHFUOMSA-N 1 1 392.471 3.805 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053773 871133636 /nfs/dbraw/zinc/13/36/36/871133636.db2.gz JMDLWYOXIWRGFB-NJAFHUGGSA-N 1 1 381.517 3.686 20 5 GHBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000525656668 871157674 /nfs/dbraw/zinc/15/76/74/871157674.db2.gz QRWRKPVRXGOTNG-OAQYLSRUSA-N 1 1 395.503 3.727 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000463216793 871212885 /nfs/dbraw/zinc/21/28/85/871212885.db2.gz YBRYNZNFYGGMOJ-BOLBYERCSA-N 1 1 392.496 3.634 20 5 GHBDMO Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461951645 871332555 /nfs/dbraw/zinc/33/25/55/871332555.db2.gz CSRKWARBZPRTHT-ZDUSSCGKSA-N 1 1 375.391 3.835 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000618469910 871654537 /nfs/dbraw/zinc/65/45/37/871654537.db2.gz OTYGEZFORLMGKZ-HSALFYBXSA-N 1 1 393.487 3.934 20 5 GHBDMO CC[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000544419079 871705120 /nfs/dbraw/zinc/70/51/20/871705120.db2.gz ULCGPNSWHVCIBI-CYBMUJFWSA-N 1 1 398.410 3.796 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000462233747 871907580 /nfs/dbraw/zinc/90/75/80/871907580.db2.gz RBXJEXDQAAXBNZ-UGSOOPFHSA-N 1 1 388.855 3.890 20 5 GHBDMO COc1cc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000552043237 871925285 /nfs/dbraw/zinc/92/52/85/871925285.db2.gz DPHKYMSJUBTAPZ-HXUWFJFHSA-N 1 1 380.448 3.567 20 5 GHBDMO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001169864707 871969041 /nfs/dbraw/zinc/96/90/41/871969041.db2.gz RBHRTFXFGMNGQZ-QGZVFWFLSA-N 1 1 392.459 3.733 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447681705 872090776 /nfs/dbraw/zinc/09/07/76/872090776.db2.gz QSJCOMZBQQTXTK-JTQLQIEISA-N 1 1 382.333 3.788 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)nc2c1 ZINC000447688799 872121137 /nfs/dbraw/zinc/12/11/37/872121137.db2.gz IQNHOCFOCLYFEQ-QFIPXVFZSA-N 1 1 391.475 3.964 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000767426284 872513151 /nfs/dbraw/zinc/51/31/51/872513151.db2.gz OEMXLCFJVYFQQY-HNNXBMFYSA-N 1 1 385.645 3.834 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc1Cl ZINC000794223679 882635496 /nfs/dbraw/zinc/63/54/96/882635496.db2.gz ZMIKHKHQNKGRSL-UHFFFAOYSA-N 1 1 391.840 3.567 20 5 GHBDMO COC(=O)c1cnc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000478285844 872776003 /nfs/dbraw/zinc/77/60/03/872776003.db2.gz RGWVDSCUCYCWGG-OAHLLOKOSA-N 1 1 398.463 3.620 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182855868 872865427 /nfs/dbraw/zinc/86/54/27/872865427.db2.gz WYIHVKLBZITOHB-AWEZNQCLSA-N 1 1 384.358 3.526 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000448217297 873026092 /nfs/dbraw/zinc/02/60/92/873026092.db2.gz LEKOZHMWXRBDLP-LJQANCHMSA-N 1 1 390.528 3.585 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccsc3)CC2)ccc1Br ZINC000768208562 873145660 /nfs/dbraw/zinc/14/56/60/873145660.db2.gz TZZJWWVITBCGOK-UHFFFAOYSA-N 1 1 396.310 3.737 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001196848799 873405704 /nfs/dbraw/zinc/40/57/04/873405704.db2.gz CIGHLLOIACWGFP-MRXNPFEDSA-N 1 1 393.484 3.743 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001197201615 873648389 /nfs/dbraw/zinc/64/83/89/873648389.db2.gz GHCOMCMWIFWKRQ-CYBMUJFWSA-N 1 1 382.420 3.544 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001197201615 873648395 /nfs/dbraw/zinc/64/83/95/873648395.db2.gz GHCOMCMWIFWKRQ-CYBMUJFWSA-N 1 1 382.420 3.544 20 5 GHBDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768891095 873651408 /nfs/dbraw/zinc/65/14/08/873651408.db2.gz AOHUESJCVMTEBJ-CYBMUJFWSA-N 1 1 379.254 3.740 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001129395655 882754495 /nfs/dbraw/zinc/75/44/95/882754495.db2.gz RXLKICMXMBZXFU-CYBMUJFWSA-N 1 1 395.381 3.864 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCC[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001198183102 874267502 /nfs/dbraw/zinc/26/75/02/874267502.db2.gz CALYCGWFDNWHNU-UZLBHIALSA-N 1 1 375.469 3.864 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCC[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001198183102 874267515 /nfs/dbraw/zinc/26/75/15/874267515.db2.gz CALYCGWFDNWHNU-UZLBHIALSA-N 1 1 375.469 3.864 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475722048 882816954 /nfs/dbraw/zinc/81/69/54/882816954.db2.gz IFGNZVOTVAWSSQ-YJBOKZPZSA-N 1 1 384.432 3.525 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](COC)C2)cc1OC ZINC000541987163 874677953 /nfs/dbraw/zinc/67/79/53/874677953.db2.gz LXRBLPSWAMBEBD-JKSUJKDBSA-N 1 1 380.485 3.887 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000475724508 882853153 /nfs/dbraw/zinc/85/31/53/882853153.db2.gz UFIGAEVQWORDQB-UHFFFAOYSA-N 1 1 396.802 3.571 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000475724508 882853177 /nfs/dbraw/zinc/85/31/77/882853177.db2.gz UFIGAEVQWORDQB-UHFFFAOYSA-N 1 1 396.802 3.571 20 5 GHBDMO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000464888634 874721187 /nfs/dbraw/zinc/72/11/87/874721187.db2.gz CBGQBZWMGMTWEJ-GOSISDBHSA-N 1 1 395.503 3.995 20 5 GHBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505223 874970834 /nfs/dbraw/zinc/97/08/34/874970834.db2.gz WTHKYAZEMWEAFM-CRAIPNDOSA-N 1 1 388.489 3.939 20 5 GHBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505223 874970837 /nfs/dbraw/zinc/97/08/37/874970837.db2.gz WTHKYAZEMWEAFM-CRAIPNDOSA-N 1 1 388.489 3.939 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000771412750 875222009 /nfs/dbraw/zinc/22/20/09/875222009.db2.gz FZACJAUJMYQCRO-JXMROGBWSA-N 1 1 385.508 3.969 20 5 GHBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CC=CCC1 ZINC000542252545 875226674 /nfs/dbraw/zinc/22/66/74/875226674.db2.gz JQJBLEIGZTXXHO-GFCCVEGCSA-N 1 1 382.258 3.584 20 5 GHBDMO COc1ccc(C[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000776103673 875342645 /nfs/dbraw/zinc/34/26/45/875342645.db2.gz JDBZFINDALSIAO-UHFFFAOYSA-N 1 1 384.219 3.639 20 5 GHBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000550961473 882920720 /nfs/dbraw/zinc/92/07/20/882920720.db2.gz GZNNVZBUUDGNSI-CYBMUJFWSA-N 1 1 395.381 3.864 20 5 GHBDMO Cc1c(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000491342619 875496157 /nfs/dbraw/zinc/49/61/57/875496157.db2.gz JXRVIIIBCKECBP-SJLPKXTDSA-N 1 1 382.464 3.935 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000494712033 882946282 /nfs/dbraw/zinc/94/62/82/882946282.db2.gz RBVNUTSKGADIJM-CQSZACIVSA-N 1 1 386.395 3.596 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000494712033 882946294 /nfs/dbraw/zinc/94/62/94/882946294.db2.gz RBVNUTSKGADIJM-CQSZACIVSA-N 1 1 386.395 3.596 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000772381856 875931554 /nfs/dbraw/zinc/93/15/54/875931554.db2.gz NOFADUACVRJTPT-CQSZACIVSA-N 1 1 385.317 3.801 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000772381856 875931565 /nfs/dbraw/zinc/93/15/65/875931565.db2.gz NOFADUACVRJTPT-CQSZACIVSA-N 1 1 385.317 3.801 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000106405503 876024041 /nfs/dbraw/zinc/02/40/41/876024041.db2.gz JXHTULQXYLSSPA-CYBMUJFWSA-N 1 1 389.839 3.894 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@H]1CO ZINC000443848516 876035629 /nfs/dbraw/zinc/03/56/29/876035629.db2.gz AFZJAYGLZPZFFY-ZBEGNZNMSA-N 1 1 395.253 3.820 20 5 GHBDMO COc1cc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c([N+](=O)[O-])cc1F ZINC000450402219 876382179 /nfs/dbraw/zinc/38/21/79/876382179.db2.gz ISTXJKGCVMOWHW-UHFFFAOYSA-N 1 1 387.411 3.632 20 5 GHBDMO CC(C)([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)c1ccccc1[N+](=O)[O-] ZINC000492270571 876563130 /nfs/dbraw/zinc/56/31/30/876563130.db2.gz DLGHKWNOWPSMAI-UHFFFAOYSA-N 1 1 380.347 3.950 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000609156711 876649035 /nfs/dbraw/zinc/64/90/35/876649035.db2.gz IVAYSNKBJUKORK-QGZVFWFLSA-N 1 1 397.475 3.778 20 5 GHBDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000537660184 883054717 /nfs/dbraw/zinc/05/47/17/883054717.db2.gz ATCZPMYPHVZDQT-VURMDHGXSA-N 1 1 398.459 3.735 20 5 GHBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000064310792 883113009 /nfs/dbraw/zinc/11/30/09/883113009.db2.gz PUYXPKOBBIYVAO-UHFFFAOYSA-N 1 1 384.480 3.804 20 5 GHBDMO Cc1ccc2c(C)cc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH+]c2c1 ZINC000460938925 877524685 /nfs/dbraw/zinc/52/46/85/877524685.db2.gz REZFMZNMSHUEMW-UHFFFAOYSA-N 1 1 390.443 3.722 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000787649960 877530020 /nfs/dbraw/zinc/53/00/20/877530020.db2.gz HGQRERFABCBOLZ-CYBMUJFWSA-N 1 1 376.844 3.764 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000787649960 877530024 /nfs/dbraw/zinc/53/00/24/877530024.db2.gz HGQRERFABCBOLZ-CYBMUJFWSA-N 1 1 376.844 3.764 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4cnccc34)c2)CCO1 ZINC000067903817 877613116 /nfs/dbraw/zinc/61/31/16/877613116.db2.gz PPSZEYREKNTAEE-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4cnccc34)c2)CCO1 ZINC000067903817 877613122 /nfs/dbraw/zinc/61/31/22/877613122.db2.gz PPSZEYREKNTAEE-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000746711495 877685905 /nfs/dbraw/zinc/68/59/05/877685905.db2.gz JCCPPGYDGBBGOS-FXAWDEMLSA-N 1 1 393.443 3.807 20 5 GHBDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000746711495 877685908 /nfs/dbraw/zinc/68/59/08/877685908.db2.gz JCCPPGYDGBBGOS-FXAWDEMLSA-N 1 1 393.443 3.807 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000451335969 877824930 /nfs/dbraw/zinc/82/49/30/877824930.db2.gz VMVFJLNPFAPBIK-GOSISDBHSA-N 1 1 391.855 3.551 20 5 GHBDMO Cc1noc(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c1[N+](=O)[O-] ZINC000851865200 877948805 /nfs/dbraw/zinc/94/88/05/877948805.db2.gz SPBDSPFJPLYLNK-QFIPXVFZSA-N 1 1 393.443 3.727 20 5 GHBDMO Cc1noc(C[N@@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c1[N+](=O)[O-] ZINC000851865200 877948814 /nfs/dbraw/zinc/94/88/14/877948814.db2.gz SPBDSPFJPLYLNK-QFIPXVFZSA-N 1 1 393.443 3.727 20 5 GHBDMO Cc1noc(C[N@H+]2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852095199 878074822 /nfs/dbraw/zinc/07/48/22/878074822.db2.gz LLBYFPQIOAYKRR-GJZGRUSLSA-N 1 1 394.472 3.503 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCOc2ccccc21 ZINC000451549139 878128442 /nfs/dbraw/zinc/12/84/42/878128442.db2.gz PABYGEYSEHXQJT-GOSISDBHSA-N 1 1 395.459 3.590 20 5 GHBDMO C[N@@H+](CCc1ccc(Br)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583177 878165454 /nfs/dbraw/zinc/16/54/54/878165454.db2.gz YUTVVOWJOZEASV-KRWDZBQOSA-N 1 1 379.254 3.565 20 5 GHBDMO CC[N@@H+](Cc1ccccc1Br)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580349 878192127 /nfs/dbraw/zinc/19/21/27/878192127.db2.gz UOQYGCRJSCNWDL-KRWDZBQOSA-N 1 1 379.254 3.913 20 5 GHBDMO CC[N@H+](Cc1ccccc1Br)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580349 878192137 /nfs/dbraw/zinc/19/21/37/878192137.db2.gz UOQYGCRJSCNWDL-KRWDZBQOSA-N 1 1 379.254 3.913 20 5 GHBDMO COc1ccc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1[N+](=O)[O-] ZINC000537840483 878369664 /nfs/dbraw/zinc/36/96/64/878369664.db2.gz FMBBUJIQOYPUAE-UHFFFAOYSA-N 1 1 382.416 3.664 20 5 GHBDMO COc1ccc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1[N+](=O)[O-] ZINC000537840483 878369673 /nfs/dbraw/zinc/36/96/73/878369673.db2.gz FMBBUJIQOYPUAE-UHFFFAOYSA-N 1 1 382.416 3.664 20 5 GHBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000852514950 878387402 /nfs/dbraw/zinc/38/74/02/878387402.db2.gz MQQSAPKPLNTEFP-HZPDHXFCSA-N 1 1 385.247 3.600 20 5 GHBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000852514950 878387415 /nfs/dbraw/zinc/38/74/15/878387415.db2.gz MQQSAPKPLNTEFP-HZPDHXFCSA-N 1 1 385.247 3.600 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093592989 912357055 /nfs/dbraw/zinc/35/70/55/912357055.db2.gz XWDJWGZXEGYASK-KRWDZBQOSA-N 1 1 392.459 3.993 20 5 GHBDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000789364261 878900507 /nfs/dbraw/zinc/90/05/07/878900507.db2.gz LBMZVBHKTUAORU-CYBMUJFWSA-N 1 1 396.403 3.886 20 5 GHBDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000789364261 878900518 /nfs/dbraw/zinc/90/05/18/878900518.db2.gz LBMZVBHKTUAORU-CYBMUJFWSA-N 1 1 396.403 3.886 20 5 GHBDMO CCN1CC[NH+](Cc2ccc(NCc3ccc([N+](=O)[O-])c(Cl)c3)cc2)CC1 ZINC000761513779 879216958 /nfs/dbraw/zinc/21/69/58/879216958.db2.gz FOFVPFHTPFQQSL-UHFFFAOYSA-N 1 1 388.899 3.998 20 5 GHBDMO CCc1oc2ccccc2c1C[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000493775344 879638245 /nfs/dbraw/zinc/63/82/45/879638245.db2.gz BQUKJSQUHGHHTA-UHFFFAOYSA-N 1 1 397.431 3.983 20 5 GHBDMO CCc1oc2ccccc2c1C[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000493775344 879638249 /nfs/dbraw/zinc/63/82/49/879638249.db2.gz BQUKJSQUHGHHTA-UHFFFAOYSA-N 1 1 397.431 3.983 20 5 GHBDMO CCc1oc2ccccc2c1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000493877396 879689773 /nfs/dbraw/zinc/68/97/73/879689773.db2.gz WJEAAULTLUFLMI-UHFFFAOYSA-N 1 1 397.431 3.983 20 5 GHBDMO CCc1oc2ccccc2c1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000493877396 879689786 /nfs/dbraw/zinc/68/97/86/879689786.db2.gz WJEAAULTLUFLMI-UHFFFAOYSA-N 1 1 397.431 3.983 20 5 GHBDMO CCc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000461444895 879830879 /nfs/dbraw/zinc/83/08/79/879830879.db2.gz FRMHXUSRLVWKJQ-SFTDATJTSA-N 1 1 393.487 3.751 20 5 GHBDMO Cc1sc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461452687 879899189 /nfs/dbraw/zinc/89/91/89/879899189.db2.gz VWNHVHGECFWZNH-DLBZAZTESA-N 1 1 385.489 3.559 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000286031130 912543564 /nfs/dbraw/zinc/54/35/64/912543564.db2.gz QIUQEPXBMXIJIU-QRVBRYPASA-N 1 1 383.404 3.508 20 5 GHBDMO CCOc1ccc([C@@H](C)[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000453289587 880730566 /nfs/dbraw/zinc/73/05/66/880730566.db2.gz TYNDQIDKBNPHBX-HUUCEWRRSA-N 1 1 377.485 3.668 20 5 GHBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc([N+](=O)[O-])ccc1F ZINC000856168910 881003438 /nfs/dbraw/zinc/00/34/38/881003438.db2.gz DXBYOELSJOZWAF-QGZVFWFLSA-N 1 1 397.450 3.766 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCCc1cccnc1)CC2 ZINC001170230056 881271293 /nfs/dbraw/zinc/27/12/93/881271293.db2.gz CQEIMMKZTBAZBG-UHFFFAOYSA-N 1 1 376.254 3.743 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCCc1cccnc1)CC2 ZINC001170230056 881271310 /nfs/dbraw/zinc/27/13/10/881271310.db2.gz CQEIMMKZTBAZBG-UHFFFAOYSA-N 1 1 376.254 3.743 20 5 GHBDMO CCc1ccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000064350679 883163590 /nfs/dbraw/zinc/16/35/90/883163590.db2.gz FKCWLSGMCKIVEL-UHFFFAOYSA-N 1 1 375.494 3.746 20 5 GHBDMO CCc1ccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000064350679 883163599 /nfs/dbraw/zinc/16/35/99/883163599.db2.gz FKCWLSGMCKIVEL-UHFFFAOYSA-N 1 1 375.494 3.746 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccc(OC3CCCC3)cc1)OCCO2 ZINC000609440654 883191000 /nfs/dbraw/zinc/19/10/00/883191000.db2.gz CNHWKDBCMRHBAZ-UHFFFAOYSA-N 1 1 384.432 3.977 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000127482608 883233813 /nfs/dbraw/zinc/23/38/13/883233813.db2.gz MTNGIIPZUPIJPT-VQIMIIECSA-N 1 1 396.491 3.762 20 5 GHBDMO CCc1cc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)nc(C)[nH+]1 ZINC000804703420 883292105 /nfs/dbraw/zinc/29/21/05/883292105.db2.gz JNGWILYOVNAEIJ-UHFFFAOYSA-N 1 1 377.242 3.581 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCCO)[C@H]3CCc4ccccc43)o2)cc1 ZINC000173389431 883348275 /nfs/dbraw/zinc/34/82/75/883348275.db2.gz VZGODMDIIJFFKD-IBGZPJMESA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCCO)[C@H]3CCc4ccccc43)o2)cc1 ZINC000173389431 883348293 /nfs/dbraw/zinc/34/82/93/883348293.db2.gz VZGODMDIIJFFKD-IBGZPJMESA-N 1 1 394.431 3.517 20 5 GHBDMO CCC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000609766257 883655882 /nfs/dbraw/zinc/65/58/82/883655882.db2.gz AYXQIDUUKFOYGN-UHFFFAOYSA-N 1 1 387.411 3.944 20 5 GHBDMO O=[N+]([O-])c1c(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc2sccn21 ZINC000064550879 883674376 /nfs/dbraw/zinc/67/43/76/883674376.db2.gz MPFBDXVHCQAUQK-GFCCVEGCSA-N 1 1 377.495 3.690 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609793743 883687808 /nfs/dbraw/zinc/68/78/08/883687808.db2.gz MYUKAMBJLYDEPF-JKSUJKDBSA-N 1 1 393.915 3.904 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000805794320 884082448 /nfs/dbraw/zinc/08/24/48/884082448.db2.gz RPLWYHDSGABTIV-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000805794320 884082463 /nfs/dbraw/zinc/08/24/63/884082463.db2.gz RPLWYHDSGABTIV-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO C[C@]1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC001130393274 884105344 /nfs/dbraw/zinc/10/53/44/884105344.db2.gz JATSWWILXCSHBW-NRFANRHFSA-N 1 1 379.416 3.735 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@@H]4C[C@@H](c5ccccc5)[C@@H]4C3)n2)cc1 ZINC000859929158 884178363 /nfs/dbraw/zinc/17/83/63/884178363.db2.gz XWPWWTJSWWBEPZ-YTQUADARSA-N 1 1 376.416 3.880 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000194734715 884329292 /nfs/dbraw/zinc/32/92/92/884329292.db2.gz MAHYTQGADYHCDA-DOTOQJQBSA-N 1 1 395.459 3.529 20 5 GHBDMO COc1cccc([C@H](O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000860136465 884355459 /nfs/dbraw/zinc/35/54/59/884355459.db2.gz ZWJYFAYWYIKZFU-OAQYLSRUSA-N 1 1 386.448 3.558 20 5 GHBDMO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001170501122 884455274 /nfs/dbraw/zinc/45/52/74/884455274.db2.gz MWFONNLWOSKNNK-OAHLLOKOSA-N 1 1 375.856 3.838 20 5 GHBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000461039901 884470387 /nfs/dbraw/zinc/47/03/87/884470387.db2.gz AVOXDMMDVICSNE-MRXNPFEDSA-N 1 1 385.464 3.632 20 5 GHBDMO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001130668300 884807296 /nfs/dbraw/zinc/80/72/96/884807296.db2.gz HDZMFSDBNPIWSW-KZNAEPCWSA-N 1 1 381.476 3.647 20 5 GHBDMO CSc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000193259053 885115209 /nfs/dbraw/zinc/11/52/09/885115209.db2.gz NUPZMCSBFJMNMQ-LBPRGKRZSA-N 1 1 391.518 3.555 20 5 GHBDMO CSc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000193259053 885115217 /nfs/dbraw/zinc/11/52/17/885115217.db2.gz NUPZMCSBFJMNMQ-LBPRGKRZSA-N 1 1 391.518 3.555 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532572392 886140018 /nfs/dbraw/zinc/14/00/18/886140018.db2.gz OMQLDMBMFPIXFX-INIZCTEOSA-N 1 1 389.496 3.983 20 5 GHBDMO O=C(CC[NH2+][C@@H](c1nccs1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000195036344 886151905 /nfs/dbraw/zinc/15/19/05/886151905.db2.gz WWAMNMSUDWBRMO-GOSISDBHSA-N 1 1 382.445 3.759 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556859128 886393665 /nfs/dbraw/zinc/39/36/65/886393665.db2.gz XSRNQJNHCIQASO-UTKZUKDTSA-N 1 1 391.475 3.534 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000556870914 886428018 /nfs/dbraw/zinc/42/80/18/886428018.db2.gz JPOIBMHFNSHOPA-OAQYLSRUSA-N 1 1 387.443 3.798 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000032429071 886433721 /nfs/dbraw/zinc/43/37/21/886433721.db2.gz BIUVYPLJPNOJEK-GFCCVEGCSA-N 1 1 391.518 3.555 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000032429071 886433734 /nfs/dbraw/zinc/43/37/34/886433734.db2.gz BIUVYPLJPNOJEK-GFCCVEGCSA-N 1 1 391.518 3.555 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000556882930 886447308 /nfs/dbraw/zinc/44/73/08/886447308.db2.gz DNOZZGLETDKMEW-SFHVURJKSA-N 1 1 384.432 3.526 20 5 GHBDMO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000795954483 913109297 /nfs/dbraw/zinc/10/92/97/913109297.db2.gz JPJDZCFBQLQVBN-GOSISDBHSA-N 1 1 387.427 3.902 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000809375479 887347522 /nfs/dbraw/zinc/34/75/22/887347522.db2.gz DCHRZPOXGVFDHU-LBPRGKRZSA-N 1 1 376.376 3.686 20 5 GHBDMO O=C(CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2sccc2C1 ZINC000153317434 887587771 /nfs/dbraw/zinc/58/77/71/887587771.db2.gz SWEUQTFJVVUKCR-UHFFFAOYSA-N 1 1 385.489 3.596 20 5 GHBDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809770310 887758074 /nfs/dbraw/zinc/75/80/74/887758074.db2.gz VYNCZRSRAKKLHD-YWZLYKJASA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272565424 887777320 /nfs/dbraw/zinc/77/73/20/887777320.db2.gz UWLNBNOUNBZMNN-PXNSSMCTSA-N 1 1 385.512 3.519 20 5 GHBDMO COc1ccc([C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)cc1 ZINC000194014007 887932584 /nfs/dbraw/zinc/93/25/84/887932584.db2.gz NVISIWFPMYZBGU-IBGZPJMESA-N 1 1 380.404 3.894 20 5 GHBDMO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC000809982811 888040696 /nfs/dbraw/zinc/04/06/96/888040696.db2.gz ZHEZZIBRFAIISM-GOSISDBHSA-N 1 1 392.242 3.997 20 5 GHBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC000809982811 888040712 /nfs/dbraw/zinc/04/07/12/888040712.db2.gz ZHEZZIBRFAIISM-GOSISDBHSA-N 1 1 392.242 3.997 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234045 888136327 /nfs/dbraw/zinc/13/63/27/888136327.db2.gz MKCCSKOKMOPKGM-HXUWFJFHSA-N 1 1 383.448 3.695 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000032771453 888824758 /nfs/dbraw/zinc/82/47/58/888824758.db2.gz NXSYUCFPWRWOSR-INIZCTEOSA-N 1 1 388.445 3.691 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000032771453 888824765 /nfs/dbraw/zinc/82/47/65/888824765.db2.gz NXSYUCFPWRWOSR-INIZCTEOSA-N 1 1 388.445 3.691 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)C1 ZINC000916425369 888983910 /nfs/dbraw/zinc/98/39/10/888983910.db2.gz LYNRGHLHPJLYEU-AWEZNQCLSA-N 1 1 398.419 3.987 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488134848 889164770 /nfs/dbraw/zinc/16/47/70/889164770.db2.gz OHDPYWXNHINKEN-VLIAUNLRSA-N 1 1 397.500 3.959 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1C)C1CC1 ZINC000532926841 889294578 /nfs/dbraw/zinc/29/45/78/889294578.db2.gz NIRFEACFAHGXAS-UHFFFAOYSA-N 1 1 383.448 3.905 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCCCc1ccccc1 ZINC000532920188 889333464 /nfs/dbraw/zinc/33/34/64/889333464.db2.gz XYMIWRFRFKRFIZ-MRXNPFEDSA-N 1 1 385.464 3.885 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000532960317 889433643 /nfs/dbraw/zinc/43/36/43/889433643.db2.gz MEPXTMFLHTUVRK-UHFFFAOYSA-N 1 1 393.447 3.657 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000532960317 889433650 /nfs/dbraw/zinc/43/36/50/889433650.db2.gz MEPXTMFLHTUVRK-UHFFFAOYSA-N 1 1 393.447 3.657 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000811467335 889627306 /nfs/dbraw/zinc/62/73/06/889627306.db2.gz KJZBGYJANVPJHT-DOTOQJQBSA-N 1 1 390.461 3.531 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000811490325 889640610 /nfs/dbraw/zinc/64/06/10/889640610.db2.gz OYFLEGZMWXEKFV-ZDUSSCGKSA-N 1 1 376.359 3.649 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000811490325 889640618 /nfs/dbraw/zinc/64/06/18/889640618.db2.gz OYFLEGZMWXEKFV-ZDUSSCGKSA-N 1 1 376.359 3.649 20 5 GHBDMO C[C@H](NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454762951 889707643 /nfs/dbraw/zinc/70/76/43/889707643.db2.gz GPCZSRIDZDFCML-ZWOKBUDYSA-N 1 1 396.491 3.866 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H](C[NH+]4CCCCC4)C3)o2)c1 ZINC000173600777 889996720 /nfs/dbraw/zinc/99/67/20/889996720.db2.gz YKUKBEZRTDDRCM-KRWDZBQOSA-N 1 1 384.480 3.600 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533292320 890207777 /nfs/dbraw/zinc/20/77/77/890207777.db2.gz DULXGNSHELGIBC-MORSLUCNSA-N 1 1 395.887 3.712 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000533280589 890217350 /nfs/dbraw/zinc/21/73/50/890217350.db2.gz HSOAWLRSWNFZEK-WUJZJPHMSA-N 1 1 389.496 3.982 20 5 GHBDMO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378587 890385314 /nfs/dbraw/zinc/38/53/14/890385314.db2.gz MRIWXHRODRQSQU-WFASDCNBSA-N 1 1 391.269 4.000 20 5 GHBDMO C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378587 890385333 /nfs/dbraw/zinc/38/53/33/890385333.db2.gz MRIWXHRODRQSQU-WFASDCNBSA-N 1 1 391.269 4.000 20 5 GHBDMO CC[C@H](C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000533381146 890389322 /nfs/dbraw/zinc/38/93/22/890389322.db2.gz XBDBZKMSFJDWSQ-HNNXBMFYSA-N 1 1 396.447 3.923 20 5 GHBDMO CC[C@H](C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000533381146 890389341 /nfs/dbraw/zinc/38/93/41/890389341.db2.gz XBDBZKMSFJDWSQ-HNNXBMFYSA-N 1 1 396.447 3.923 20 5 GHBDMO CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000533407158 890470850 /nfs/dbraw/zinc/47/08/50/890470850.db2.gz XVRFXHQZSPRPHP-HKUYNNGSSA-N 1 1 396.491 3.691 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000533438726 890517339 /nfs/dbraw/zinc/51/73/39/890517339.db2.gz NFJIWBXVIHRJNF-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO Cc1ccc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000533435834 890560154 /nfs/dbraw/zinc/56/01/54/890560154.db2.gz IWDITTUCDHGBDA-AWEZNQCLSA-N 1 1 385.420 3.572 20 5 GHBDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000533435834 890560169 /nfs/dbraw/zinc/56/01/69/890560169.db2.gz IWDITTUCDHGBDA-AWEZNQCLSA-N 1 1 385.420 3.572 20 5 GHBDMO COc1ccc([C@H](O)C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)cc1 ZINC000812856245 891005726 /nfs/dbraw/zinc/00/57/26/891005726.db2.gz YFCDTGUVOKMHOY-NRFANRHFSA-N 1 1 386.448 3.558 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850244 891042666 /nfs/dbraw/zinc/04/26/66/891042666.db2.gz SPEFSPKVOKIKFA-IIBYNOLFSA-N 1 1 385.464 3.676 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850144 891043067 /nfs/dbraw/zinc/04/30/67/891043067.db2.gz LWGOCSBSUMKNHO-LIRRHRJNSA-N 1 1 382.420 3.589 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000812854448 891048759 /nfs/dbraw/zinc/04/87/59/891048759.db2.gz XQSYFOJYYQNIRX-BFUOFWGJSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000812854448 891048773 /nfs/dbraw/zinc/04/87/73/891048773.db2.gz XQSYFOJYYQNIRX-BFUOFWGJSA-N 1 1 391.855 3.631 20 5 GHBDMO C[N@@H+](CCc1cccc(Br)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000812907431 891092614 /nfs/dbraw/zinc/09/26/14/891092614.db2.gz MZZXXZFPRGGXEO-KRWDZBQOSA-N 1 1 379.254 3.565 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(C)nc(N2CCCC2)n1 ZINC000872073286 891139440 /nfs/dbraw/zinc/13/94/40/891139440.db2.gz OHULMTAVIUBYCZ-AWEZNQCLSA-N 1 1 387.509 3.866 20 5 GHBDMO Cc1ccccc1C1(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000813171714 891331148 /nfs/dbraw/zinc/33/11/48/891331148.db2.gz RQWDOXDDIXJAEF-IBGZPJMESA-N 1 1 380.444 3.753 20 5 GHBDMO Cc1ccccc1C1(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000813171714 891331155 /nfs/dbraw/zinc/33/11/55/891331155.db2.gz RQWDOXDDIXJAEF-IBGZPJMESA-N 1 1 380.444 3.753 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(C(F)F)cc1 ZINC000813172930 891331612 /nfs/dbraw/zinc/33/16/12/891331612.db2.gz TYHGRLRYMDLJGH-KRWDZBQOSA-N 1 1 376.359 3.964 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(C(F)F)cc1 ZINC000813172930 891331629 /nfs/dbraw/zinc/33/16/29/891331629.db2.gz TYHGRLRYMDLJGH-KRWDZBQOSA-N 1 1 376.359 3.964 20 5 GHBDMO CC(C)(C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)cc1 ZINC000813173086 891331808 /nfs/dbraw/zinc/33/18/08/891331808.db2.gz ULMFALDLDNZVNO-IBGZPJMESA-N 1 1 386.423 3.829 20 5 GHBDMO CC(C)(C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)cc1 ZINC000813173086 891331825 /nfs/dbraw/zinc/33/18/25/891331825.db2.gz ULMFALDLDNZVNO-IBGZPJMESA-N 1 1 386.423 3.829 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(-c2cnco2)cc1 ZINC000813171758 891332025 /nfs/dbraw/zinc/33/20/25/891332025.db2.gz SXZAAPCRCUGJIX-IBGZPJMESA-N 1 1 393.399 3.681 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(-c2cnco2)cc1 ZINC000813171758 891332039 /nfs/dbraw/zinc/33/20/39/891332039.db2.gz SXZAAPCRCUGJIX-IBGZPJMESA-N 1 1 393.399 3.681 20 5 GHBDMO COc1ccc2occ(C(=O)O[C@H]3CC[N@H+](Cc4cccc([N+](=O)[O-])c4)C3)c2c1 ZINC000813171196 891332256 /nfs/dbraw/zinc/33/22/56/891332256.db2.gz QIEQEWDQYRGYBH-KRWDZBQOSA-N 1 1 396.399 3.781 20 5 GHBDMO COc1ccc2occ(C(=O)O[C@H]3CC[N@@H+](Cc4cccc([N+](=O)[O-])c4)C3)c2c1 ZINC000813171196 891332275 /nfs/dbraw/zinc/33/22/75/891332275.db2.gz QIEQEWDQYRGYBH-KRWDZBQOSA-N 1 1 396.399 3.781 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1OC1CC1 ZINC000813174124 891334662 /nfs/dbraw/zinc/33/46/62/891334662.db2.gz QLPPLWOBTVRSLN-SFHVURJKSA-N 1 1 382.416 3.567 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1OC1CC1 ZINC000813174124 891334678 /nfs/dbraw/zinc/33/46/78/891334678.db2.gz QLPPLWOBTVRSLN-SFHVURJKSA-N 1 1 382.416 3.567 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccnc2ccccc21 ZINC000813174195 891337620 /nfs/dbraw/zinc/33/76/20/891337620.db2.gz RXBLUIRXVZEHAR-KRWDZBQOSA-N 1 1 377.400 3.574 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccnc2ccccc21 ZINC000813174195 891337637 /nfs/dbraw/zinc/33/76/37/891337637.db2.gz RXBLUIRXVZEHAR-KRWDZBQOSA-N 1 1 377.400 3.574 20 5 GHBDMO COc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000016558683 891976229 /nfs/dbraw/zinc/97/62/29/891976229.db2.gz ABNURCHRJWBQQY-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000016558683 891976240 /nfs/dbraw/zinc/97/62/40/891976240.db2.gz ABNURCHRJWBQQY-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCOc1ccccc1 ZINC000016561189 891979873 /nfs/dbraw/zinc/97/98/73/891979873.db2.gz SKDPSSMTFZJZQX-CYBMUJFWSA-N 1 1 377.828 3.586 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCOc1ccccc1 ZINC000016561189 891979886 /nfs/dbraw/zinc/97/98/86/891979886.db2.gz SKDPSSMTFZJZQX-CYBMUJFWSA-N 1 1 377.828 3.586 20 5 GHBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001133923353 891983018 /nfs/dbraw/zinc/98/30/18/891983018.db2.gz ITJZHLJQVZWYLB-ZDUSSCGKSA-N 1 1 391.880 3.833 20 5 GHBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001133923353 891983035 /nfs/dbraw/zinc/98/30/35/891983035.db2.gz ITJZHLJQVZWYLB-ZDUSSCGKSA-N 1 1 391.880 3.833 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]2C1 ZINC000814676385 893055713 /nfs/dbraw/zinc/05/57/13/893055713.db2.gz LDLRUYXDVNMPQP-GASCZTMLSA-N 1 1 393.459 3.813 20 5 GHBDMO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877033318 893449110 /nfs/dbraw/zinc/44/91/10/893449110.db2.gz WGRNBRHJIMPWQN-GFCCVEGCSA-N 1 1 383.271 3.684 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000536685997 893532240 /nfs/dbraw/zinc/53/22/40/893532240.db2.gz WXVLUWAVHPYZMH-MRXNPFEDSA-N 1 1 381.476 3.697 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)nc1 ZINC000536682256 893551479 /nfs/dbraw/zinc/55/14/79/893551479.db2.gz BCTRHKMMLMMMTH-AWEZNQCLSA-N 1 1 384.333 3.834 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)nc1 ZINC000536682256 893551497 /nfs/dbraw/zinc/55/14/97/893551497.db2.gz BCTRHKMMLMMMTH-AWEZNQCLSA-N 1 1 384.333 3.834 20 5 GHBDMO Cc1csc([C@H]2CC[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000877813901 893823951 /nfs/dbraw/zinc/82/39/51/893823951.db2.gz PXGMYMWROQIHRA-HNNXBMFYSA-N 1 1 383.477 3.750 20 5 GHBDMO COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609280851 893874801 /nfs/dbraw/zinc/87/48/01/893874801.db2.gz QSLKNLZCUIIOJW-XLIONFOSSA-N 1 1 386.448 3.570 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878045916 893977343 /nfs/dbraw/zinc/97/73/43/893977343.db2.gz VQZZSJWDTDUCPC-INIZCTEOSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878045916 893977353 /nfs/dbraw/zinc/97/73/53/893977353.db2.gz VQZZSJWDTDUCPC-INIZCTEOSA-N 1 1 380.404 3.991 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCCC3(CCOCC3)C2)o1 ZINC000878132019 894041867 /nfs/dbraw/zinc/04/18/67/894041867.db2.gz IFVPIPITCFHQBY-UHFFFAOYSA-N 1 1 392.843 3.691 20 5 GHBDMO COc1ccccc1CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774876803 913864321 /nfs/dbraw/zinc/86/43/21/913864321.db2.gz TWVZKWLUVZAHAW-UHFFFAOYSA-N 1 1 385.420 3.966 20 5 GHBDMO CCOC1CC2(C1)CC[N@H+](Cc1nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)C2 ZINC000878611983 894441914 /nfs/dbraw/zinc/44/19/14/894441914.db2.gz YOQPHZJXIFPIEB-UHFFFAOYSA-N 1 1 392.843 3.689 20 5 GHBDMO CCOC1CC2(C1)CC[N@@H+](Cc1nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)C2 ZINC000878611983 894441918 /nfs/dbraw/zinc/44/19/18/894441918.db2.gz YOQPHZJXIFPIEB-UHFFFAOYSA-N 1 1 392.843 3.689 20 5 GHBDMO COc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000564402869 894939729 /nfs/dbraw/zinc/93/97/29/894939729.db2.gz ARZWGORQSKLDMK-PMACEKPBSA-N 1 1 381.476 3.557 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817424738 895613780 /nfs/dbraw/zinc/61/37/80/895613780.db2.gz SKRABNAWLJXCEE-QUCCMNQESA-N 1 1 379.460 3.968 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817424736 895614302 /nfs/dbraw/zinc/61/43/02/895614302.db2.gz SKRABNAWLJXCEE-AZUAARDMSA-N 1 1 379.460 3.968 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000817739942 895856597 /nfs/dbraw/zinc/85/65/97/895856597.db2.gz RYAKDMKFEWLGIJ-SFHVURJKSA-N 1 1 383.448 3.719 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000817739942 895856609 /nfs/dbraw/zinc/85/66/09/895856609.db2.gz RYAKDMKFEWLGIJ-SFHVURJKSA-N 1 1 383.448 3.719 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001136192529 896398203 /nfs/dbraw/zinc/39/82/03/896398203.db2.gz GYYKZVYIBNKQSK-UHFFFAOYSA-N 1 1 397.475 3.650 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2C2(O)CC2)cc1OC ZINC001170950343 897436707 /nfs/dbraw/zinc/43/67/07/897436707.db2.gz XUIOSXWZIDGISZ-MGPUTAFESA-N 1 1 392.496 3.908 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2C2(O)CC2)cc1OC ZINC001170950347 897436794 /nfs/dbraw/zinc/43/67/94/897436794.db2.gz XUIOSXWZIDGISZ-QRWLVFNGSA-N 1 1 392.496 3.908 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001136452168 897918920 /nfs/dbraw/zinc/91/89/20/897918920.db2.gz QFQWTDRNQUAKKL-KRWDZBQOSA-N 1 1 385.439 3.684 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@](C)(O)c1ccccc1 ZINC000822516314 898447230 /nfs/dbraw/zinc/44/72/30/898447230.db2.gz KNWZAVKNWGFNRP-QGZVFWFLSA-N 1 1 379.254 3.697 20 5 GHBDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCC2 ZINC000111312829 898796388 /nfs/dbraw/zinc/79/63/88/898796388.db2.gz LTOLGIZLBFYXRI-MRXNPFEDSA-N 1 1 375.450 3.736 20 5 GHBDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCC2 ZINC000111312829 898796397 /nfs/dbraw/zinc/79/63/97/898796397.db2.gz LTOLGIZLBFYXRI-MRXNPFEDSA-N 1 1 375.450 3.736 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000823899848 899291033 /nfs/dbraw/zinc/29/10/33/899291033.db2.gz WYYNWTQHVHAKRN-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000134156004 899666606 /nfs/dbraw/zinc/66/66/06/899666606.db2.gz UXHHZLKGRRIJRK-JKSUJKDBSA-N 1 1 393.484 3.599 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000572001622 900030966 /nfs/dbraw/zinc/03/09/66/900030966.db2.gz LTCYROPIVYEBMM-CYBMUJFWSA-N 1 1 392.374 3.544 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000572001622 900030974 /nfs/dbraw/zinc/03/09/74/900030974.db2.gz LTCYROPIVYEBMM-CYBMUJFWSA-N 1 1 392.374 3.544 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000825308856 900082956 /nfs/dbraw/zinc/08/29/56/900082956.db2.gz GFYJWENBMGRYFA-UHFFFAOYSA-N 1 1 385.439 3.515 20 5 GHBDMO CCC[N@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2C1 ZINC000066968491 901032067 /nfs/dbraw/zinc/03/20/67/901032067.db2.gz PPSNVGOZRALFRU-AWEZNQCLSA-N 1 1 398.463 3.768 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000577670422 903029652 /nfs/dbraw/zinc/02/96/52/903029652.db2.gz MYSSJLGEIIMAIY-GOSISDBHSA-N 1 1 397.475 3.887 20 5 GHBDMO COCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000131081740 903055256 /nfs/dbraw/zinc/05/52/56/903055256.db2.gz LQZYJSSEURRJEZ-SFHVURJKSA-N 1 1 387.436 3.808 20 5 GHBDMO C[C@@H]1[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001186640078 914698897 /nfs/dbraw/zinc/69/88/97/914698897.db2.gz WQZJRDXTZIAAJC-QAPCUYQASA-N 1 1 392.459 3.522 20 5 GHBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000132379610 903247085 /nfs/dbraw/zinc/24/70/85/903247085.db2.gz VIJWHNLATHSNSB-VQIMIIECSA-N 1 1 397.475 3.729 20 5 GHBDMO CCOc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000601148927 903391450 /nfs/dbraw/zinc/39/14/50/903391450.db2.gz HOORVESWEVNMMX-LJQANCHMSA-N 1 1 396.390 3.592 20 5 GHBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000601203130 903456237 /nfs/dbraw/zinc/45/62/37/903456237.db2.gz COZNBHOPQAXROX-ZIAGYGMSSA-N 1 1 387.411 3.595 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000134868310 903584714 /nfs/dbraw/zinc/58/47/14/903584714.db2.gz CRRFDYTYPHOOLZ-XLIONFOSSA-N 1 1 396.491 3.741 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)o2)c1 ZINC000134868310 903584772 /nfs/dbraw/zinc/58/47/72/903584772.db2.gz CRRFDYTYPHOOLZ-XLIONFOSSA-N 1 1 396.491 3.741 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)o2)c1 ZINC000134868310 903584786 /nfs/dbraw/zinc/58/47/86/903584786.db2.gz CRRFDYTYPHOOLZ-XLIONFOSSA-N 1 1 396.491 3.741 20 5 GHBDMO CC[NH+](CC)CCOC1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000578359270 903765765 /nfs/dbraw/zinc/76/57/65/903765765.db2.gz WGIPFHGMZQAWOR-UHFFFAOYSA-N 1 1 386.496 3.779 20 5 GHBDMO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000579257820 904458942 /nfs/dbraw/zinc/45/89/42/904458942.db2.gz NXEUTJSGDDSKAW-FOIQADDNSA-N 1 1 385.439 3.570 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1F ZINC001171707720 904939171 /nfs/dbraw/zinc/93/91/71/904939171.db2.gz UKXDKCTZHNASOF-IBGZPJMESA-N 1 1 394.830 3.880 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1F ZINC001171707720 904939177 /nfs/dbraw/zinc/93/91/77/904939177.db2.gz UKXDKCTZHNASOF-IBGZPJMESA-N 1 1 394.830 3.880 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000801572010 921142121 /nfs/dbraw/zinc/14/21/21/921142121.db2.gz AHEHFVYXBHHJIZ-FQEVSTJZSA-N 1 1 393.484 3.600 20 5 GHBDMO O=C1Nc2ccccc2[C@H]2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]12 ZINC001172903897 905927846 /nfs/dbraw/zinc/92/78/46/905927846.db2.gz JJNDDNWWMBHSSQ-DBVUQKKJSA-N 1 1 377.444 3.510 20 5 GHBDMO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)O2)n1 ZINC001172906060 905931069 /nfs/dbraw/zinc/93/10/69/905931069.db2.gz FXHZEBKGHPHZBP-MTFMMBMASA-N 1 1 398.463 3.528 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cnn(CC)c21 ZINC001172909032 905970295 /nfs/dbraw/zinc/97/02/95/905970295.db2.gz QPBUESMAMAPCHU-VQTJNVASSA-N 1 1 398.507 3.695 20 5 GHBDMO COc1cccnc1O[C@@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913069 906023247 /nfs/dbraw/zinc/02/32/47/906023247.db2.gz OPODXBXHDZSRAI-AZUAARDMSA-N 1 1 397.475 3.789 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CC(Oc4ccccc4)C3)CC2)c(F)c1 ZINC001173017468 906093981 /nfs/dbraw/zinc/09/39/81/906093981.db2.gz DLVWNFOVHMCISK-UHFFFAOYSA-N 1 1 389.402 3.605 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2CC[NH+](CC3CCC3)CC2)c1F ZINC001173181152 906259714 /nfs/dbraw/zinc/25/97/14/906259714.db2.gz NZLBOJOBXCUHGW-CQSZACIVSA-N 1 1 379.476 3.528 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1F ZINC001173189682 906269177 /nfs/dbraw/zinc/26/91/77/906269177.db2.gz LTFRTRUBSBIFKC-KBPBESRZSA-N 1 1 396.459 3.727 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001173222999 906301727 /nfs/dbraw/zinc/30/17/27/906301727.db2.gz WDHBYIJSKLZPNY-KVSKMBFKSA-N 1 1 389.496 3.857 20 5 GHBDMO Cc1ccc(CN2C[C@@H]3C[N@H+]([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)cc1 ZINC001173223672 906306041 /nfs/dbraw/zinc/30/60/41/906306041.db2.gz GMCAQLPFJNDCBE-YUXAGFNASA-N 1 1 379.504 3.898 20 5 GHBDMO Cc1ccc(CN2C[C@@H]3C[N@@H+]([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)cc1 ZINC001173223672 906306047 /nfs/dbraw/zinc/30/60/47/906306047.db2.gz GMCAQLPFJNDCBE-YUXAGFNASA-N 1 1 379.504 3.898 20 5 GHBDMO Cc1ccc(N2C[C@]3(CC[N@H+]([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C3)CC2=O)cc1 ZINC001173229896 906314753 /nfs/dbraw/zinc/31/47/53/906314753.db2.gz XZWKDFQISXIRGR-WZONZLPQSA-N 1 1 393.487 3.963 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001173231084 906315957 /nfs/dbraw/zinc/31/59/57/906315957.db2.gz JNBOEMUZXHFWJY-DOTOQJQBSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001173233268 906317801 /nfs/dbraw/zinc/31/78/01/906317801.db2.gz VCYBRZYXLSSUAW-CRAIPNDOSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001173233815 906320627 /nfs/dbraw/zinc/32/06/27/906320627.db2.gz ZBTAFMTZPDXEEC-YJBOKZPZSA-N 1 1 377.485 3.857 20 5 GHBDMO CCOC(=O)[C@H]([NH3+])Cc1cn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173214249 906330825 /nfs/dbraw/zinc/33/08/25/906330825.db2.gz AAFNIEWZFMHEIH-MGPUTAFESA-N 1 1 395.459 3.786 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181224173 906948464 /nfs/dbraw/zinc/94/84/64/906948464.db2.gz VVPSGXYMQQUOKY-BEFAXECRSA-N 1 1 394.431 3.902 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181224155 906948611 /nfs/dbraw/zinc/94/86/11/906948611.db2.gz VVPSGXYMQQUOKY-DNVCBOLYSA-N 1 1 394.431 3.902 20 5 GHBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001177038996 908376049 /nfs/dbraw/zinc/37/60/49/908376049.db2.gz OYDPVTZUHLTQNL-KRWDZBQOSA-N 1 1 393.484 3.695 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000773692416 908659004 /nfs/dbraw/zinc/65/90/04/908659004.db2.gz DOBKQSMJLJEXAI-QLFBSQMISA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000773692416 908659009 /nfs/dbraw/zinc/65/90/09/908659009.db2.gz DOBKQSMJLJEXAI-QLFBSQMISA-N 1 1 395.887 3.714 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)nc1-c1ccncc1 ZINC000779889953 909062242 /nfs/dbraw/zinc/06/22/42/909062242.db2.gz RZSCENZPFUZYAE-CSHXORCISA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)nc1-c1ccncc1 ZINC000779889953 909062256 /nfs/dbraw/zinc/06/22/56/909062256.db2.gz RZSCENZPFUZYAE-CSHXORCISA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC001178843748 909258845 /nfs/dbraw/zinc/25/88/45/909258845.db2.gz AMVJWUKKNDTNGW-GFCCVEGCSA-N 1 1 394.244 3.865 20 5 GHBDMO CCN(OC)C(=O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001179020447 909343657 /nfs/dbraw/zinc/34/36/57/909343657.db2.gz FASMSWQMWWHLNV-UHFFFAOYSA-N 1 1 393.827 3.540 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000795221109 909364336 /nfs/dbraw/zinc/36/43/36/909364336.db2.gz VQVISNJVZCUONE-UHFFFAOYSA-N 1 1 392.799 3.620 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc4ccnc(Cl)c4s3)C2)nc1 ZINC001179937658 909815321 /nfs/dbraw/zinc/81/53/21/909815321.db2.gz NZVVAGOUNJRQEF-GFCCVEGCSA-N 1 1 389.868 3.939 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001180635924 910279147 /nfs/dbraw/zinc/27/91/47/910279147.db2.gz FDSHPDCFWDVKCU-INIZCTEOSA-N 1 1 390.487 3.569 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000802007702 921743289 /nfs/dbraw/zinc/74/32/89/921743289.db2.gz CKRIHLCLAUMVNT-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000802007702 921743292 /nfs/dbraw/zinc/74/32/92/921743292.db2.gz CKRIHLCLAUMVNT-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000292031798 915483017 /nfs/dbraw/zinc/48/30/17/915483017.db2.gz XROPRZINFMHUFS-GFCCVEGCSA-N 1 1 387.430 3.830 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292793468 915847911 /nfs/dbraw/zinc/84/79/11/915847911.db2.gz ZPGLQSJWHXOAEP-OAHLLOKOSA-N 1 1 397.353 3.774 20 5 GHBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000775204555 916254717 /nfs/dbraw/zinc/25/47/17/916254717.db2.gz PAUZNEZYRJDDKU-GHTZIAJQSA-N 1 1 379.500 3.839 20 5 GHBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000775204565 916255688 /nfs/dbraw/zinc/25/56/88/916255688.db2.gz PAUZNEZYRJDDKU-RXVVDRJESA-N 1 1 379.500 3.839 20 5 GHBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1 ZINC000360810493 916328476 /nfs/dbraw/zinc/32/84/76/916328476.db2.gz PCGABZCMLJLBRV-MAUKXSAKSA-N 1 1 385.489 3.814 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)o2)cc1 ZINC000362256350 917168944 /nfs/dbraw/zinc/16/89/44/917168944.db2.gz LUFSQDRHVHPJDQ-FQEVSTJZSA-N 1 1 394.431 3.902 20 5 GHBDMO Cn1cc(C[N@@H+](C)CCCCCc2cc(-c3ccccc3)no2)c([N+](=O)[O-])n1 ZINC001190713577 917501281 /nfs/dbraw/zinc/50/12/81/917501281.db2.gz NGRYALXYACBNCX-UHFFFAOYSA-N 1 1 383.452 3.828 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)n2)cc1 ZINC000364304982 919324497 /nfs/dbraw/zinc/32/44/97/919324497.db2.gz OYHQWIVQELOTOZ-FQEVSTJZSA-N 1 1 394.431 3.902 20 5 GHBDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335900 919538261 /nfs/dbraw/zinc/53/82/61/919538261.db2.gz ZXQMWSNBTVQVBQ-GFCCVEGCSA-N 1 1 391.374 3.864 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000117438696 919541032 /nfs/dbraw/zinc/54/10/32/919541032.db2.gz GPBPSFAXKKTLRP-GOSISDBHSA-N 1 1 375.469 3.977 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cs1 ZINC000365169435 920461487 /nfs/dbraw/zinc/46/14/87/920461487.db2.gz JERLDDOTAJWXMK-DNVCBOLYSA-N 1 1 397.460 3.655 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000007915688 920522033 /nfs/dbraw/zinc/52/20/33/920522033.db2.gz NUOVWAVWQUYDIC-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000007915688 920522045 /nfs/dbraw/zinc/52/20/45/920522045.db2.gz NUOVWAVWQUYDIC-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)CC1 ZINC000827506501 925714478 /nfs/dbraw/zinc/71/44/78/925714478.db2.gz HUGNPRLSVFSJSF-UHFFFAOYSA-N 1 1 383.439 3.766 20 5 GHBDMO CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000410576697 925741449 /nfs/dbraw/zinc/74/14/49/925741449.db2.gz TYOINTSVIOVXLE-GOSISDBHSA-N 1 1 381.476 3.605 20 5 GHBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000411295501 926279281 /nfs/dbraw/zinc/27/92/81/926279281.db2.gz JHIQOEAHOTWPSA-UKRRQHHQSA-N 1 1 381.498 3.538 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c2c(c1)COCO2 ZINC000726972396 926966498 /nfs/dbraw/zinc/96/64/98/926966498.db2.gz AOHFQDMBXVSYQD-WOJBJXKFSA-N 1 1 384.432 3.549 20 5 GHBDMO CC[N@@H+](Cc1ccccc1Br)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750038298 927399708 /nfs/dbraw/zinc/39/97/08/927399708.db2.gz RIJOUHSPUVGHKO-QGZVFWFLSA-N 1 1 379.254 3.913 20 5 GHBDMO CC[N@H+](Cc1ccccc1Br)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750038298 927399720 /nfs/dbraw/zinc/39/97/20/927399720.db2.gz RIJOUHSPUVGHKO-QGZVFWFLSA-N 1 1 379.254 3.913 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000374686670 927412335 /nfs/dbraw/zinc/41/23/35/927412335.db2.gz JWZRFSWIHFNPBU-FUHWJXTLSA-N 1 1 397.475 3.634 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000467018633 928595684 /nfs/dbraw/zinc/59/56/84/928595684.db2.gz MKFFVERIGWXYFG-UHFFFAOYSA-N 1 1 378.226 3.671 20 5 GHBDMO COc1ccc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000467172511 928785842 /nfs/dbraw/zinc/78/58/42/928785842.db2.gz YEBUASBCGSRSTL-HNNXBMFYSA-N 1 1 383.448 3.810 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc(F)cc1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752788274 929023659 /nfs/dbraw/zinc/02/36/59/929023659.db2.gz GCZQCBYRQODQJE-UHFFFAOYSA-N 1 1 386.427 3.844 20 5 GHBDMO CC(C)[N@H+](Cc1ccc(F)cc1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752788274 929023672 /nfs/dbraw/zinc/02/36/72/929023672.db2.gz GCZQCBYRQODQJE-UHFFFAOYSA-N 1 1 386.427 3.844 20 5 GHBDMO CCC[N@@H+](Cc1ccc(OC)cc1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752790342 929024612 /nfs/dbraw/zinc/02/46/12/929024612.db2.gz RNDOVZRXUFZBQG-UHFFFAOYSA-N 1 1 398.463 3.715 20 5 GHBDMO CCC[N@H+](Cc1ccc(OC)cc1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752790342 929024623 /nfs/dbraw/zinc/02/46/23/929024623.db2.gz RNDOVZRXUFZBQG-UHFFFAOYSA-N 1 1 398.463 3.715 20 5 GHBDMO CCc1ccc([C@H](NC[C@@H]2CCC[N@H+]2CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359188 929088536 /nfs/dbraw/zinc/08/85/36/929088536.db2.gz VZZKIJDJLVEMTI-GHTZIAJQSA-N 1 1 387.480 3.540 20 5 GHBDMO CCc1ccc([C@H]([NH2+]C[C@@H]2CCCN2CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359188 929088551 /nfs/dbraw/zinc/08/85/51/929088551.db2.gz VZZKIJDJLVEMTI-GHTZIAJQSA-N 1 1 387.480 3.540 20 5 GHBDMO CCc1ccc([C@H](NC[C@H]2CCC[N@H+]2CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359845 929089574 /nfs/dbraw/zinc/08/95/74/929089574.db2.gz VZZKIJDJLVEMTI-WIYYLYMNSA-N 1 1 387.480 3.540 20 5 GHBDMO CCc1ccc([C@H]([NH2+]C[C@H]2CCCN2CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359845 929089577 /nfs/dbraw/zinc/08/95/77/929089577.db2.gz VZZKIJDJLVEMTI-WIYYLYMNSA-N 1 1 387.480 3.540 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000544386617 929117541 /nfs/dbraw/zinc/11/75/41/929117541.db2.gz YJMIWWYRJNLHCO-GFCCVEGCSA-N 1 1 387.827 3.688 20 5 GHBDMO C[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544399675 929132967 /nfs/dbraw/zinc/13/29/67/929132967.db2.gz PHJQQWDXRIOKSA-LPHOPBHVSA-N 1 1 399.466 3.960 20 5 GHBDMO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000467562828 929205098 /nfs/dbraw/zinc/20/50/98/929205098.db2.gz NLHKRRDNXVIEEV-CYBMUJFWSA-N 1 1 392.374 3.545 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000467562828 929205105 /nfs/dbraw/zinc/20/51/05/929205105.db2.gz NLHKRRDNXVIEEV-CYBMUJFWSA-N 1 1 392.374 3.545 20 5 GHBDMO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757113522 929652602 /nfs/dbraw/zinc/65/26/02/929652602.db2.gz YMBJNCGSGWFJIG-CJNGLKHVSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757113522 929652608 /nfs/dbraw/zinc/65/26/08/929652608.db2.gz YMBJNCGSGWFJIG-CJNGLKHVSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000546054477 929810294 /nfs/dbraw/zinc/81/02/94/929810294.db2.gz GITYJYCWCQIWHG-MRXNPFEDSA-N 1 1 386.427 3.862 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469994488 930303298 /nfs/dbraw/zinc/30/32/98/930303298.db2.gz XBCMMKSNMSSWHV-LBPRGKRZSA-N 1 1 397.353 3.952 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469994488 930303308 /nfs/dbraw/zinc/30/33/08/930303308.db2.gz XBCMMKSNMSSWHV-LBPRGKRZSA-N 1 1 397.353 3.952 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000470173780 930431276 /nfs/dbraw/zinc/43/12/76/930431276.db2.gz FLLFRKGGUFFHQC-MLPAPPSSSA-N 1 1 375.375 3.847 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000470173780 930431282 /nfs/dbraw/zinc/43/12/82/930431282.db2.gz FLLFRKGGUFFHQC-MLPAPPSSSA-N 1 1 375.375 3.847 20 5 GHBDMO CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470819449 930939299 /nfs/dbraw/zinc/93/92/99/930939299.db2.gz FOWCBRRWANHPEQ-MRXNPFEDSA-N 1 1 387.867 3.985 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000470837072 930956897 /nfs/dbraw/zinc/95/68/97/930956897.db2.gz RXMJXQLYDSHOIO-DOTOQJQBSA-N 1 1 383.448 3.559 20 5 GHBDMO Cc1c(CC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000557115547 931217777 /nfs/dbraw/zinc/21/77/77/931217777.db2.gz IEPSFYMMZQSQKY-HSZRJFAPSA-N 1 1 393.487 3.570 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782484905 931238724 /nfs/dbraw/zinc/23/87/24/931238724.db2.gz XCFGDHSTZZEQOD-INIZCTEOSA-N 1 1 389.402 3.909 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782510969 931247977 /nfs/dbraw/zinc/24/79/77/931247977.db2.gz PMNCOKAKPVEBCE-CQSZACIVSA-N 1 1 375.375 3.691 20 5 GHBDMO CCCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000557584462 931557985 /nfs/dbraw/zinc/55/79/85/931557985.db2.gz CVPKGKXEHLXJGL-ZDUSSCGKSA-N 1 1 391.497 3.777 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c21 ZINC000557737241 931640868 /nfs/dbraw/zinc/64/08/68/931640868.db2.gz ZGGUVXDSBRRATD-QFIPXVFZSA-N 1 1 389.459 3.640 20 5 GHBDMO C/C(=C/C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895753 931708305 /nfs/dbraw/zinc/70/83/05/931708305.db2.gz KOXQHCQOMPNGDJ-VZVUQDNOSA-N 1 1 379.460 3.561 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)c1 ZINC000784006503 931751993 /nfs/dbraw/zinc/75/19/93/931751993.db2.gz GTNUROMURQFFRS-BFUOFWGJSA-N 1 1 381.436 3.697 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000558573501 932080216 /nfs/dbraw/zinc/08/02/16/932080216.db2.gz RFKZTVKNBTZJIY-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739246 932203848 /nfs/dbraw/zinc/20/38/48/932203848.db2.gz FVWKRPXKRZVFHD-CYBMUJFWSA-N 1 1 393.390 3.698 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739246 932203854 /nfs/dbraw/zinc/20/38/54/932203854.db2.gz FVWKRPXKRZVFHD-CYBMUJFWSA-N 1 1 393.390 3.698 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000797518987 932317494 /nfs/dbraw/zinc/31/74/94/932317494.db2.gz QEKSTHKQWAISFC-WBVHZDCISA-N 1 1 391.468 3.577 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000797518987 932317500 /nfs/dbraw/zinc/31/75/00/932317500.db2.gz QEKSTHKQWAISFC-WBVHZDCISA-N 1 1 391.468 3.577 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000797518350 932318197 /nfs/dbraw/zinc/31/81/97/932318197.db2.gz CFUPCGOZHHCFTJ-LJQANCHMSA-N 1 1 382.416 3.932 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000797518350 932318201 /nfs/dbraw/zinc/31/82/01/932318201.db2.gz CFUPCGOZHHCFTJ-LJQANCHMSA-N 1 1 382.416 3.932 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CC[N@@H+]2C2CCOCC2)c2ccccc2)c1 ZINC000927104571 932413812 /nfs/dbraw/zinc/41/38/12/932413812.db2.gz NMTUNLKKOZFKAJ-YADHBBJMSA-N 1 1 381.476 3.527 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CC[N@H+]2C2CCOCC2)c2ccccc2)c1 ZINC000927104571 932413816 /nfs/dbraw/zinc/41/38/16/932413816.db2.gz NMTUNLKKOZFKAJ-YADHBBJMSA-N 1 1 381.476 3.527 20 5 GHBDMO CCc1ccc([C@H](NC[C@H]2CC[N@H+]2C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000927105881 932414660 /nfs/dbraw/zinc/41/46/60/932414660.db2.gz VSTDLPRWFWAJRU-DENIHFKCSA-N 1 1 399.491 3.683 20 5 GHBDMO CCc1ccc([C@H]([NH2+]C[C@H]2CCN2C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000927105881 932414665 /nfs/dbraw/zinc/41/46/65/932414665.db2.gz VSTDLPRWFWAJRU-DENIHFKCSA-N 1 1 399.491 3.683 20 5 GHBDMO C[C@@]1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000799011519 932851482 /nfs/dbraw/zinc/85/14/82/932851482.db2.gz SGRVACVORQFLGF-QFIPXVFZSA-N 1 1 392.459 3.718 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)cc1 ZINC001116375068 933517187 /nfs/dbraw/zinc/51/71/87/933517187.db2.gz STEGFTJOQHCALZ-DLBZAZTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)cc1 ZINC001116375068 933517193 /nfs/dbraw/zinc/51/71/93/933517193.db2.gz STEGFTJOQHCALZ-DLBZAZTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000561274593 934008986 /nfs/dbraw/zinc/00/89/86/934008986.db2.gz FKLNMECXPUBIDU-UHFFFAOYSA-N 1 1 397.478 3.638 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000561274593 934008991 /nfs/dbraw/zinc/00/89/91/934008991.db2.gz FKLNMECXPUBIDU-UHFFFAOYSA-N 1 1 397.478 3.638 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000777953862 934369373 /nfs/dbraw/zinc/36/93/73/934369373.db2.gz AWMHPXFPXFZBHD-RHSMWYFYSA-N 1 1 389.402 3.638 20 5 GHBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000931626493 934650553 /nfs/dbraw/zinc/65/05/53/934650553.db2.gz RUSJSKUSKXJNJU-AWEZNQCLSA-N 1 1 380.876 3.752 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001123267315 935135252 /nfs/dbraw/zinc/13/52/52/935135252.db2.gz AODMGDBCMRIVEB-AWEZNQCLSA-N 1 1 378.473 3.626 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000829681942 935844475 /nfs/dbraw/zinc/84/44/75/935844475.db2.gz PWDMVXOVELWWOY-UHFFFAOYSA-N 1 1 390.871 3.927 20 5 GHBDMO CCOc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC001626006972 1014750356 /nfs/dbraw/zinc/75/03/56/1014750356.db2.gz WXKYKKKQIBWHNE-SFHVURJKSA-N 1 1 398.463 3.698 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594542200 986179789 /nfs/dbraw/zinc/17/97/89/986179789.db2.gz GDYSYQJAKBWXGV-JIPZTSHUSA-N 1 1 397.475 3.539 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594542200 986179792 /nfs/dbraw/zinc/17/97/92/986179792.db2.gz GDYSYQJAKBWXGV-JIPZTSHUSA-N 1 1 397.475 3.539 20 5 GHBDMO COc1ccc(C[N@@H+](C)CC2(O)CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000545550071 1016023556 /nfs/dbraw/zinc/02/35/56/1016023556.db2.gz WYVFWUIQMHNUTF-UHFFFAOYSA-N 1 1 386.448 3.529 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227109064 1032272393 /nfs/dbraw/zinc/27/23/93/1032272393.db2.gz RCLPVTDPPOVFPN-KRWDZBQOSA-N 1 1 386.408 3.578 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001227123327 1032280001 /nfs/dbraw/zinc/28/00/01/1032280001.db2.gz ARLGSWMALJENDV-IMFGXOCKSA-N 1 1 396.443 3.671 20 5 GHBDMO Nc1ccc[nH+]c1N1CCN(c2ccc3ccc4ccc(Cl)nc4c3n2)CC1 ZINC001154783641 1032281414 /nfs/dbraw/zinc/28/14/14/1032281414.db2.gz WRECTRKJYPVMJS-UHFFFAOYSA-N 1 1 390.878 3.740 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001227468125 1032432087 /nfs/dbraw/zinc/43/20/87/1032432087.db2.gz XELOSSZIYMPVDZ-OAHLLOKOSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001227468125 1032432093 /nfs/dbraw/zinc/43/20/93/1032432093.db2.gz XELOSSZIYMPVDZ-OAHLLOKOSA-N 1 1 377.784 3.810 20 5 GHBDMO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3CCC[N@H+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC001227699029 1032521540 /nfs/dbraw/zinc/52/15/40/1032521540.db2.gz CBHDJWIGDSPNEL-KRWDZBQOSA-N 1 1 384.432 3.703 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000558062414 1017104200 /nfs/dbraw/zinc/10/42/00/1017104200.db2.gz CWMLXMLBKVSBNR-HXUWFJFHSA-N 1 1 383.448 3.576 20 5 GHBDMO CC(C)(C)c1ccc(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001204235779 1032680982 /nfs/dbraw/zinc/68/09/82/1032680982.db2.gz CYBSJYLRZALTIC-UHFFFAOYSA-N 1 1 395.503 3.893 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2cc([N+](=O)[O-])cc(F)c2F)O1 ZINC001228017427 1032738539 /nfs/dbraw/zinc/73/85/39/1032738539.db2.gz WKOMOIGFDMCEKS-MRXNPFEDSA-N 1 1 392.402 3.931 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000561934486 1017984561 /nfs/dbraw/zinc/98/45/61/1017984561.db2.gz FNSFXNOBILIFIO-UHFFFAOYSA-N 1 1 391.475 3.886 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2cc([N+](=O)[O-])cc(F)c2F)O1 ZINC001228017427 1032738526 /nfs/dbraw/zinc/73/85/26/1032738526.db2.gz WKOMOIGFDMCEKS-MRXNPFEDSA-N 1 1 392.402 3.931 20 5 GHBDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796104243 1021108425 /nfs/dbraw/zinc/10/84/25/1021108425.db2.gz GPEXMBJIZRGGKD-KRWDZBQOSA-N 1 1 384.354 3.701 20 5 GHBDMO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000748816105 1021721847 /nfs/dbraw/zinc/72/18/47/1021721847.db2.gz PXJKNBCJQKEEKU-IBGZPJMESA-N 1 1 389.883 3.818 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000754096280 1022478414 /nfs/dbraw/zinc/47/84/14/1022478414.db2.gz DCXNDQBLWKCRIM-GOFCXVBSSA-N 1 1 385.489 3.623 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000754096280 1022478424 /nfs/dbraw/zinc/47/84/24/1022478424.db2.gz DCXNDQBLWKCRIM-GOFCXVBSSA-N 1 1 385.489 3.623 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1Cl ZINC000836252153 1022772796 /nfs/dbraw/zinc/77/27/96/1022772796.db2.gz WGXPCNFLFMWIDB-UHFFFAOYSA-N 1 1 375.856 3.809 20 5 GHBDMO COC(=O)c1cc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc([N+](=O)[O-])c1 ZINC001228772139 1033088549 /nfs/dbraw/zinc/08/85/49/1033088549.db2.gz VEJIVRBWFCNHFI-QGZVFWFLSA-N 1 1 390.823 3.688 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000754942479 1022976469 /nfs/dbraw/zinc/97/64/69/1022976469.db2.gz PVKWEMMQODVIAB-ICFOKQHNSA-N 1 1 397.450 3.872 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000754942479 1022976474 /nfs/dbraw/zinc/97/64/74/1022976474.db2.gz PVKWEMMQODVIAB-ICFOKQHNSA-N 1 1 397.450 3.872 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000755667084 1023329868 /nfs/dbraw/zinc/32/98/68/1023329868.db2.gz UNOIPSMLYPOYNA-KWRJMZDGSA-N 1 1 396.447 3.617 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c2ccc([N+](=O)[O-])cc12 ZINC000755788444 1023378793 /nfs/dbraw/zinc/37/87/93/1023378793.db2.gz FLXXNBQSSLLLFX-QGZVFWFLSA-N 1 1 390.447 3.725 20 5 GHBDMO C[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755885318 1023421737 /nfs/dbraw/zinc/42/17/37/1023421737.db2.gz ZYESFJZYXPQZGU-FXAWDEMLSA-N 1 1 382.460 3.981 20 5 GHBDMO CCCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cc(C)on1 ZINC000756882852 1023846033 /nfs/dbraw/zinc/84/60/33/1023846033.db2.gz LWBDXJQLFRHZIT-OAHLLOKOSA-N 1 1 380.832 3.832 20 5 GHBDMO CC[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001138122329 1024163855 /nfs/dbraw/zinc/16/38/55/1024163855.db2.gz ZHLKRLKRUUXLPE-KRWDZBQOSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001138122329 1024163868 /nfs/dbraw/zinc/16/38/68/1024163868.db2.gz ZHLKRLKRUUXLPE-KRWDZBQOSA-N 1 1 387.867 3.985 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001141310376 1024499780 /nfs/dbraw/zinc/49/97/80/1024499780.db2.gz APNBBXSRRHZZEW-UHFFFAOYSA-N 1 1 385.439 3.699 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001141310376 1024499791 /nfs/dbraw/zinc/49/97/91/1024499791.db2.gz APNBBXSRRHZZEW-UHFFFAOYSA-N 1 1 385.439 3.699 20 5 GHBDMO CC(C)(C)[N@H+]1CCN[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001205025210 1033217719 /nfs/dbraw/zinc/21/77/19/1033217719.db2.gz KSVOWRHCGZLIOW-KRWDZBQOSA-N 1 1 388.475 3.578 20 5 GHBDMO COC(=O)c1c(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cccc1[N+](=O)[O-] ZINC001229049847 1033250342 /nfs/dbraw/zinc/25/03/42/1033250342.db2.gz NYVRNAKKDLKMIQ-ZHALLVOQSA-N 1 1 396.443 3.671 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2CCc3ccccc3C2)cc1C ZINC001162098328 1025604539 /nfs/dbraw/zinc/60/45/39/1025604539.db2.gz ANCVRBXTAQKMMC-UHFFFAOYSA-N 1 1 383.448 3.550 20 5 GHBDMO C[NH+](C)/C=C/c1cc(NCc2coc(-c3ccc(F)cc3)n2)ncc1[N+](=O)[O-] ZINC001162213146 1025672237 /nfs/dbraw/zinc/67/22/37/1025672237.db2.gz UEIVLNZANIDIJV-BQYQJAHWSA-N 1 1 383.383 3.928 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001162749913 1025902967 /nfs/dbraw/zinc/90/29/67/1025902967.db2.gz XXAFRBDZYPRJGZ-OAHLLOKOSA-N 1 1 379.476 3.707 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001162749912 1025903194 /nfs/dbraw/zinc/90/31/94/1025903194.db2.gz XXAFRBDZYPRJGZ-HNNXBMFYSA-N 1 1 379.476 3.707 20 5 GHBDMO COc1ccc([C@@H](CCO)[NH2+]Cc2cccc([N+](=O)[O-])c2Br)cc1 ZINC000839538274 1026027665 /nfs/dbraw/zinc/02/76/65/1026027665.db2.gz CCUKDGJCBPOAEO-OAHLLOKOSA-N 1 1 395.253 3.579 20 5 GHBDMO COCC[N@@H+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(C)c1C)c1ccc(Cl)cc1 ZINC001163384560 1026169395 /nfs/dbraw/zinc/16/93/95/1026169395.db2.gz JUDMWUGIAKVCFA-SFHVURJKSA-N 1 1 392.887 3.991 20 5 GHBDMO CC[N@@H+](CCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1CCCCC1 ZINC001163667992 1026273131 /nfs/dbraw/zinc/27/31/31/1026273131.db2.gz CKUFDLSVLMJWBP-UHFFFAOYSA-N 1 1 377.411 3.804 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC001141722236 1026339656 /nfs/dbraw/zinc/33/96/56/1026339656.db2.gz VUTSLVBMSBWCKI-IYBDPMFKSA-N 1 1 396.491 3.706 20 5 GHBDMO COC(=O)c1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc([N+](=O)[O-])c1 ZINC001164498798 1026534231 /nfs/dbraw/zinc/53/42/31/1026534231.db2.gz HKGVCZMSLPDTKU-TYCQWZJGSA-N 1 1 395.459 3.704 20 5 GHBDMO Cc1cnc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c([N+](=O)[O-])c1 ZINC001166569074 1027029576 /nfs/dbraw/zinc/02/95/76/1027029576.db2.gz LHIBZIZKBTXWAD-UHFFFAOYSA-N 1 1 383.839 3.826 20 5 GHBDMO CN1CCN(c2cc[nH+]c(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2)CC1 ZINC001203358732 1027290572 /nfs/dbraw/zinc/29/05/72/1027290572.db2.gz XQIVLOVEXYEGBQ-UHFFFAOYSA-N 1 1 393.447 3.614 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000840218266 1027354011 /nfs/dbraw/zinc/35/40/11/1027354011.db2.gz CYANNFSVIMRHPM-CQSZACIVSA-N 1 1 375.450 3.750 20 5 GHBDMO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001210577631 1027562953 /nfs/dbraw/zinc/56/29/53/1027562953.db2.gz WWXVZEHAEIFQCH-GOSISDBHSA-N 1 1 382.464 3.589 20 5 GHBDMO C[C@H](O[NH+]=C(N)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000842110769 1029074030 /nfs/dbraw/zinc/07/40/30/1029074030.db2.gz SHEQLDFTKVSLHR-ZDUSSCGKSA-N 1 1 392.456 3.801 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223488524 1030601136 /nfs/dbraw/zinc/60/11/36/1030601136.db2.gz AOTQFCFBEUMENC-RDTXWAMCSA-N 1 1 386.408 3.640 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@H]2C[NH2+]C[C@H]2C)c2c(=O)c3cccc(O)c3oc12 ZINC001217967622 1030693773 /nfs/dbraw/zinc/69/37/73/1030693773.db2.gz RYHCYPKTDHFZIC-YJYMSZOUSA-N 1 1 395.455 3.853 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1CCC[NH2+]C1 ZINC001218288465 1030873680 /nfs/dbraw/zinc/87/36/80/1030873680.db2.gz XNNUREMVQZTVLB-HNNXBMFYSA-N 1 1 395.455 3.997 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224102130 1030884536 /nfs/dbraw/zinc/88/45/36/1030884536.db2.gz WPFCUKPEUOLQMW-WMLDXEAASA-N 1 1 386.408 3.640 20 5 GHBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001229179911 1033324519 /nfs/dbraw/zinc/32/45/19/1033324519.db2.gz RHRPIPCRQCBSIK-IBGZPJMESA-N 1 1 398.459 3.857 20 5 GHBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001229179911 1033324528 /nfs/dbraw/zinc/32/45/28/1033324528.db2.gz RHRPIPCRQCBSIK-IBGZPJMESA-N 1 1 398.459 3.857 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001157074452 1033401938 /nfs/dbraw/zinc/40/19/38/1033401938.db2.gz GEVJHBZLZQJFLU-UHFFFAOYSA-N 1 1 383.427 3.711 20 5 GHBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001229903003 1033783735 /nfs/dbraw/zinc/78/37/35/1033783735.db2.gz KDCPWWMKGAIUFF-KRWDZBQOSA-N 1 1 384.432 3.733 20 5 GHBDMO Cc1cc(=O)oc2c1ccc(O[C@H]1CCN3Cc4ccccc4[NH+]=C13)c2[N+](=O)[O-] ZINC001229946574 1033807312 /nfs/dbraw/zinc/80/73/12/1033807312.db2.gz QJKIGSXGKVUZCL-KRWDZBQOSA-N 1 1 391.383 3.707 20 5 GHBDMO N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161862 1033946314 /nfs/dbraw/zinc/94/63/14/1033946314.db2.gz ROEIHSBQMLPZSO-ZCYQVOJMSA-N 1 1 387.527 3.607 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001158521899 1034125813 /nfs/dbraw/zinc/12/58/13/1034125813.db2.gz QDWNOSZEYJCJBD-NDZBKKTDSA-N 1 1 395.507 3.621 20 5 GHBDMO c1cnc2c(c1)ccc1ccc(CN3CC[NH+](CCc4ccncc4)CC3)nc12 ZINC001232222101 1035170228 /nfs/dbraw/zinc/17/02/28/1035170228.db2.gz ODPSRJFFPOZRSW-UHFFFAOYSA-N 1 1 383.499 3.538 20 5 GHBDMO C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001161494349 1035240690 /nfs/dbraw/zinc/24/06/90/1035240690.db2.gz NBHCWZOZLFUNBG-HNNXBMFYSA-N 1 1 380.448 3.647 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001161494349 1035240695 /nfs/dbraw/zinc/24/06/95/1035240695.db2.gz NBHCWZOZLFUNBG-HNNXBMFYSA-N 1 1 380.448 3.647 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(F)c(F)cc2Cl)no1 ZINC001248210306 1035642472 /nfs/dbraw/zinc/64/24/72/1035642472.db2.gz OROWDKXIGALXHK-AWEZNQCLSA-N 1 1 380.738 3.819 20 5 GHBDMO COc1ccc(C2([NH2+][C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CCNCC2)cc1 ZINC001246379394 1037336014 /nfs/dbraw/zinc/33/60/14/1037336014.db2.gz DEYCONHNGIVNBG-FQEVSTJZSA-N 1 1 395.503 3.719 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(c3ccccc3F)CC[NH2+]CC1)CC2 ZINC001246427667 1037387549 /nfs/dbraw/zinc/38/75/49/1037387549.db2.gz FKDWBJQOBYAZSQ-SFHVURJKSA-N 1 1 383.467 3.850 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[nH]nc2-c1nc2cc(F)ccc2n1C1CC[NH2+]CC1 ZINC001247031605 1037848780 /nfs/dbraw/zinc/84/87/80/1037848780.db2.gz USYCJJHEGDSMBM-UHFFFAOYSA-N 1 1 380.383 3.551 20 5 GHBDMO C[C@@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC001247604983 1038272089 /nfs/dbraw/zinc/27/20/89/1038272089.db2.gz WCHPOZMPZFVKRO-OAHLLOKOSA-N 1 1 394.431 3.629 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2-c2cnco2)no1 ZINC001247666170 1038302282 /nfs/dbraw/zinc/30/22/82/1038302282.db2.gz MBSKBGDQOSCFRC-HNNXBMFYSA-N 1 1 377.360 3.542 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2cccc(OC(F)(F)F)c2)no1 ZINC001247667725 1038303792 /nfs/dbraw/zinc/30/37/92/1038303792.db2.gz ZMXYDDQRQDYAFS-ZDUSSCGKSA-N 1 1 394.309 3.786 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000510580903 1039286292 /nfs/dbraw/zinc/28/62/92/1039286292.db2.gz VCNOPXJHCBWBHD-UHFFFAOYSA-N 1 1 395.459 3.870 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC001233750451 1039589063 /nfs/dbraw/zinc/58/90/63/1039589063.db2.gz KYOXCRGZTXIWBV-LRDDRELGSA-N 1 1 381.354 3.908 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001233984171 1039742471 /nfs/dbraw/zinc/74/24/71/1039742471.db2.gz FCKHZLUWSYVOPA-GOSISDBHSA-N 1 1 390.867 3.821 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001233985180 1039743082 /nfs/dbraw/zinc/74/30/82/1039743082.db2.gz VOEPWQKHGFNQKT-PCCBWWKXSA-N 1 1 396.487 3.804 20 5 GHBDMO CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001254560469 1040332880 /nfs/dbraw/zinc/33/28/80/1040332880.db2.gz SXUOZABAOOZVTE-WBVHZDCISA-N 1 1 377.485 3.857 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254590849 1040364339 /nfs/dbraw/zinc/36/43/39/1040364339.db2.gz ZNGVPENIZLJRCB-HTAPYJJXSA-N 1 1 399.454 3.723 20 5 GHBDMO C[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254592960 1040366140 /nfs/dbraw/zinc/36/61/40/1040366140.db2.gz IDGBVHQPXPZBSB-IBGZPJMESA-N 1 1 389.496 3.641 20 5 GHBDMO C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001254609410 1040381760 /nfs/dbraw/zinc/38/17/60/1040381760.db2.gz WHLCBRBYYSUQTB-GUDVDZBRSA-N 1 1 389.496 3.830 20 5 GHBDMO O=[N+]([O-])c1cc(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)ccc1F ZINC001255426518 1041020972 /nfs/dbraw/zinc/02/09/72/1041020972.db2.gz GIGPWJORUMIQDT-INIZCTEOSA-N 1 1 382.395 3.697 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C3CCC3)C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001256104177 1041530033 /nfs/dbraw/zinc/53/00/33/1041530033.db2.gz YLDKHCZUGIVYDT-UHFFFAOYSA-N 1 1 389.496 3.606 20 5 GHBDMO CCC(CC)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1 ZINC001293487523 1044208818 /nfs/dbraw/zinc/20/88/18/1044208818.db2.gz HBGSTJKBCIWZFJ-HNNXBMFYSA-N 1 1 385.464 3.940 20 5 GHBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](C2CCCC2)CC1 ZINC001293881298 1044358324 /nfs/dbraw/zinc/35/83/24/1044358324.db2.gz SFGBDNDOLITARL-UHFFFAOYSA-N 1 1 379.888 3.658 20 5 GHBDMO O=[N+]([O-])c1c(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cccc1C(F)(F)F ZINC001307177266 1044761081 /nfs/dbraw/zinc/76/10/81/1044761081.db2.gz SBGWAQFZUABVDF-HUUCEWRRSA-N 1 1 385.386 3.669 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000588016414 1047052505 /nfs/dbraw/zinc/05/25/05/1047052505.db2.gz UEQQMHJGTJYRLM-DJIMGWMZSA-N 1 1 395.488 3.922 20 5 GHBDMO O=[N+]([O-])c1c(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)ccc2cnccc21 ZINC001306927576 1048963621 /nfs/dbraw/zinc/96/36/21/1048963621.db2.gz KNMHCIAZGHIZLF-UHFFFAOYSA-N 1 1 395.438 3.516 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCC[N@H+]1CCc2sccc2C1 ZINC001306942417 1048971428 /nfs/dbraw/zinc/97/14/28/1048971428.db2.gz ARNORDVSYZUVGY-UHFFFAOYSA-N 1 1 388.880 3.750 20 5 GHBDMO CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001307019951 1049015472 /nfs/dbraw/zinc/01/54/72/1049015472.db2.gz PJIZLXQWABAYTN-UHFFFAOYSA-N 1 1 398.511 3.718 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC001307972286 1049730751 /nfs/dbraw/zinc/73/07/51/1049730751.db2.gz LBFMUHWBEXWWGM-HDICACEKSA-N 1 1 381.498 3.735 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC001307972286 1049730760 /nfs/dbraw/zinc/73/07/60/1049730760.db2.gz LBFMUHWBEXWWGM-HDICACEKSA-N 1 1 381.498 3.735 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC001307973205 1049732469 /nfs/dbraw/zinc/73/24/69/1049732469.db2.gz YHLJKZGPOMHJHD-BGYRXZFFSA-N 1 1 393.459 3.813 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC001307973205 1049732477 /nfs/dbraw/zinc/73/24/77/1049732477.db2.gz YHLJKZGPOMHJHD-BGYRXZFFSA-N 1 1 393.459 3.813 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001308053972 1049803029 /nfs/dbraw/zinc/80/30/29/1049803029.db2.gz BLLGDUDWBHLFLZ-HUUCEWRRSA-N 1 1 385.468 3.648 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001308053972 1049803039 /nfs/dbraw/zinc/80/30/39/1049803039.db2.gz BLLGDUDWBHLFLZ-HUUCEWRRSA-N 1 1 385.468 3.648 20 5 GHBDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2)CC1 ZINC001290860161 1049940516 /nfs/dbraw/zinc/94/05/16/1049940516.db2.gz WDWYINNPEZAMTL-UHFFFAOYSA-N 1 1 396.491 3.601 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1 ZINC001308657684 1050050529 /nfs/dbraw/zinc/05/05/29/1050050529.db2.gz UBACJHQABOHCOF-UHFFFAOYSA-N 1 1 383.492 3.928 20 5 GHBDMO COc1ccc(CN2CCC[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1 ZINC001308657684 1050050532 /nfs/dbraw/zinc/05/05/32/1050050532.db2.gz UBACJHQABOHCOF-UHFFFAOYSA-N 1 1 383.492 3.928 20 5 GHBDMO COc1ccc(CN2CCC[N@@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1 ZINC001308657684 1050050538 /nfs/dbraw/zinc/05/05/38/1050050538.db2.gz UBACJHQABOHCOF-UHFFFAOYSA-N 1 1 383.492 3.928 20 5 GHBDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308825061 1050109620 /nfs/dbraw/zinc/10/96/20/1050109620.db2.gz ILEYVTMCYBPWTL-CHWSQXEVSA-N 1 1 375.425 3.678 20 5 GHBDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308825061 1050109621 /nfs/dbraw/zinc/10/96/21/1050109621.db2.gz ILEYVTMCYBPWTL-CHWSQXEVSA-N 1 1 375.425 3.678 20 5 GHBDMO CCOC(=O)[C@@]1(F)C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001308857826 1050126338 /nfs/dbraw/zinc/12/63/38/1050126338.db2.gz AAJGMZOIZOYGMX-XIJQHFHMSA-N 1 1 376.428 3.755 20 5 GHBDMO CCOC(=O)[C@@]1(F)C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001308857826 1050126340 /nfs/dbraw/zinc/12/63/40/1050126340.db2.gz AAJGMZOIZOYGMX-XIJQHFHMSA-N 1 1 376.428 3.755 20 5 GHBDMO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CS1(=O)=O ZINC001329558716 1050843094 /nfs/dbraw/zinc/84/30/94/1050843094.db2.gz UZLJOFGTTWAEAD-DGCLKSJQSA-N 1 1 398.868 3.564 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001310594900 1051475145 /nfs/dbraw/zinc/47/51/45/1051475145.db2.gz MDQIEFPEDUHOOH-KRWDZBQOSA-N 1 1 390.484 3.770 20 5 GHBDMO C[C@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC001332276214 1051497025 /nfs/dbraw/zinc/49/70/25/1051497025.db2.gz GJDPVNHVWRYGQW-NSHDSACASA-N 1 1 399.344 3.833 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001310652681 1051512065 /nfs/dbraw/zinc/51/20/65/1051512065.db2.gz HLESFEXMMBOCJI-IYBDPMFKSA-N 1 1 392.500 3.873 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001310797061 1051597625 /nfs/dbraw/zinc/59/76/25/1051597625.db2.gz DMHHVUKQCXRZDP-QGZVFWFLSA-N 1 1 386.427 3.910 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[N@@H+](C)Cc1ccccc1 ZINC001311021498 1051778948 /nfs/dbraw/zinc/77/89/48/1051778948.db2.gz VRMBMIYUNPIIHY-HNNXBMFYSA-N 1 1 393.447 3.785 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001334278057 1051926763 /nfs/dbraw/zinc/92/67/63/1051926763.db2.gz DORITOURCLDZHS-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001311429593 1052134187 /nfs/dbraw/zinc/13/41/87/1052134187.db2.gz BKPBBVHVCTVTAY-IAGOWNOFSA-N 1 1 376.501 3.652 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001312024255 1052535187 /nfs/dbraw/zinc/53/51/87/1052535187.db2.gz KDOJXIKGZBAFKZ-PXNSSMCTSA-N 1 1 396.491 3.928 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001343473011 1053792610 /nfs/dbraw/zinc/79/26/10/1053792610.db2.gz YUAZBAAWVQWNHK-YOEHRIQHSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001343473011 1053792622 /nfs/dbraw/zinc/79/26/22/1053792622.db2.gz YUAZBAAWVQWNHK-YOEHRIQHSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccc(F)cc1 ZINC001343473007 1053792867 /nfs/dbraw/zinc/79/28/67/1053792867.db2.gz YUAZBAAWVQWNHK-RHSMWYFYSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccc(F)cc1 ZINC001343473007 1053792878 /nfs/dbraw/zinc/79/28/78/1053792878.db2.gz YUAZBAAWVQWNHK-RHSMWYFYSA-N 1 1 392.818 3.954 20 5 GHBDMO O=C(c1ccn(-c2cc[nH+]cc2)n1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001343771009 1054012945 /nfs/dbraw/zinc/01/29/45/1054012945.db2.gz CWUXOIRKMRYOFT-UHFFFAOYSA-N 1 1 397.822 3.886 20 5 GHBDMO COc1ccc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001345727738 1055226020 /nfs/dbraw/zinc/22/60/20/1055226020.db2.gz LRPRINSFCKUVRU-INIZCTEOSA-N 1 1 398.463 3.732 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@]2(CCOC2)O1 ZINC001321079192 1056083141 /nfs/dbraw/zinc/08/31/41/1056083141.db2.gz HFSSWEHORVWEDD-BFUOFWGJSA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@]2(CCOC2)O1 ZINC001321079192 1056083153 /nfs/dbraw/zinc/08/31/53/1056083153.db2.gz HFSSWEHORVWEDD-BFUOFWGJSA-N 1 1 392.839 3.888 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1F ZINC001322762466 1056838865 /nfs/dbraw/zinc/83/88/65/1056838865.db2.gz PFJCCJYAFUJZKG-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO CC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001323282351 1056948239 /nfs/dbraw/zinc/94/82/39/1056948239.db2.gz OGEDGVKOLBNBAM-UHFFFAOYSA-N 1 1 377.828 3.562 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848484793 1057120544 /nfs/dbraw/zinc/12/05/44/1057120544.db2.gz DTXHRKOUVHQLLM-UHFFFAOYSA-N 1 1 393.447 3.663 20 5 GHBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000848488098 1057122960 /nfs/dbraw/zinc/12/29/60/1057122960.db2.gz GFZHHHMLZLWHQG-BBRMVZONSA-N 1 1 385.386 3.533 20 5 GHBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000848488098 1057122965 /nfs/dbraw/zinc/12/29/65/1057122965.db2.gz GFZHHHMLZLWHQG-BBRMVZONSA-N 1 1 385.386 3.533 20 5 GHBDMO Cc1c(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cnn1-c1cc[nH+]cc1 ZINC001325409743 1057324035 /nfs/dbraw/zinc/32/40/35/1057324035.db2.gz FXJXKXWHBJEQRW-QGZVFWFLSA-N 1 1 391.431 3.504 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001325509582 1057336574 /nfs/dbraw/zinc/33/65/74/1057336574.db2.gz CSJCTLNOGAHRPR-FSPWUOQZSA-N 1 1 395.887 3.712 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001356354202 1057486014 /nfs/dbraw/zinc/48/60/14/1057486014.db2.gz FSIAHLCLGMYMEG-DLBZAZTESA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001356354202 1057486016 /nfs/dbraw/zinc/48/60/16/1057486016.db2.gz FSIAHLCLGMYMEG-DLBZAZTESA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001442225962 1058935470 /nfs/dbraw/zinc/93/54/70/1058935470.db2.gz QEPHGKUIONHXSC-CQSZACIVSA-N 1 1 381.904 3.808 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001442268871 1058942846 /nfs/dbraw/zinc/94/28/46/1058942846.db2.gz YAPNYWTZGILNDJ-DOMZBBRYSA-N 1 1 391.830 3.953 20 5 GHBDMO Cc1ccc(NCCCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC001444357227 1059317208 /nfs/dbraw/zinc/31/72/08/1059317208.db2.gz KWTTUWOREQDNDY-IBGZPJMESA-N 1 1 388.512 3.619 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001339957396 1059580033 /nfs/dbraw/zinc/58/00/33/1059580033.db2.gz OBABSPDGCAZGIU-IERDGZPVSA-N 1 1 394.475 3.531 20 5 GHBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001452584850 1060966807 /nfs/dbraw/zinc/96/68/07/1060966807.db2.gz XBCQNEYVURHFTA-IYBDPMFKSA-N 1 1 382.464 3.893 20 5 GHBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001452645005 1060977575 /nfs/dbraw/zinc/97/75/75/1060977575.db2.gz KZAWODIPKRDGKM-VXGBXAGGSA-N 1 1 390.242 3.787 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001545813264 1062015750 /nfs/dbraw/zinc/01/57/50/1062015750.db2.gz CMLOVPUACDTTFE-YOEHRIQHSA-N 1 1 395.793 3.702 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001545813264 1062015773 /nfs/dbraw/zinc/01/57/73/1062015773.db2.gz CMLOVPUACDTTFE-YOEHRIQHSA-N 1 1 395.793 3.702 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001347239499 1062234293 /nfs/dbraw/zinc/23/42/93/1062234293.db2.gz XKFHKSUXHLBWQB-UHFFFAOYSA-N 1 1 399.838 3.943 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001457743390 1063339714 /nfs/dbraw/zinc/33/97/14/1063339714.db2.gz ONTHDYQCGVADRU-QGZVFWFLSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001457743390 1063339740 /nfs/dbraw/zinc/33/97/40/1063339740.db2.gz ONTHDYQCGVADRU-QGZVFWFLSA-N 1 1 387.867 3.985 20 5 GHBDMO Cc1ccc(COC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC001436404408 1063433493 /nfs/dbraw/zinc/43/34/93/1063433493.db2.gz LBZMLPYLJUFNSA-IRXDYDNUSA-N 1 1 398.459 3.869 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](CC3CCCCC3)CC2)c(Br)c1 ZINC001458118545 1063580329 /nfs/dbraw/zinc/58/03/29/1063580329.db2.gz LAGMONVBCLPZIM-UHFFFAOYSA-N 1 1 397.317 3.845 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC001458870762 1063952803 /nfs/dbraw/zinc/95/28/03/1063952803.db2.gz CCMDDUTXLFDAOG-GJZGRUSLSA-N 1 1 386.477 3.560 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC001458870762 1063952805 /nfs/dbraw/zinc/95/28/05/1063952805.db2.gz CCMDDUTXLFDAOG-GJZGRUSLSA-N 1 1 386.477 3.560 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001459608279 1064141219 /nfs/dbraw/zinc/14/12/19/1064141219.db2.gz KYLULUVDOSHWPM-YOEHRIQHSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001459608279 1064141220 /nfs/dbraw/zinc/14/12/20/1064141220.db2.gz KYLULUVDOSHWPM-YOEHRIQHSA-N 1 1 393.484 3.729 20 5 GHBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001459697140 1064174968 /nfs/dbraw/zinc/17/49/68/1064174968.db2.gz XIKMRBDBKRIHOT-ZWKOTPCHSA-N 1 1 377.485 3.757 20 5 GHBDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Br)CC2 ZINC001459879972 1064254716 /nfs/dbraw/zinc/25/47/16/1064254716.db2.gz BVPVQRGNZYJRRF-UHFFFAOYSA-N 1 1 391.265 3.967 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001357607632 1067190707 /nfs/dbraw/zinc/19/07/07/1067190707.db2.gz DSSOAWDEFFPGMX-IBGZPJMESA-N 1 1 385.439 3.861 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001357607632 1067190716 /nfs/dbraw/zinc/19/07/16/1067190716.db2.gz DSSOAWDEFFPGMX-IBGZPJMESA-N 1 1 385.439 3.861 20 5 GHBDMO C[C@H](C[NH+]1CCC(C)CC1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001474626808 1067774438 /nfs/dbraw/zinc/77/44/38/1067774438.db2.gz SCGVDNOKXMZXIN-LLVKDONJSA-N 1 1 376.320 3.629 20 5 GHBDMO CC(C)CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C(C)C ZINC001359914435 1068253719 /nfs/dbraw/zinc/25/37/19/1068253719.db2.gz HNHGTLKSYOPHJU-UHFFFAOYSA-N 1 1 388.516 3.676 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001460224451 1068869758 /nfs/dbraw/zinc/86/97/58/1068869758.db2.gz RAUQTTULWUDGNK-PZJWPPBQSA-N 1 1 379.460 3.752 20 5 GHBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001460269344 1068896740 /nfs/dbraw/zinc/89/67/40/1068896740.db2.gz JZWDPMAUKFGPIE-OAHLLOKOSA-N 1 1 376.254 3.959 20 5 GHBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001460269344 1068896756 /nfs/dbraw/zinc/89/67/56/1068896756.db2.gz JZWDPMAUKFGPIE-OAHLLOKOSA-N 1 1 376.254 3.959 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC001460301011 1068913991 /nfs/dbraw/zinc/91/39/91/1068913991.db2.gz MTIRFKKXEDTSTA-INIZCTEOSA-N 1 1 392.402 3.968 20 5 GHBDMO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001470711435 1072697945 /nfs/dbraw/zinc/69/79/45/1072697945.db2.gz NBNJPBVOXDNXFO-SJLPKXTDSA-N 1 1 399.516 3.775 20 5 GHBDMO Cc1ccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001471081728 1072914818 /nfs/dbraw/zinc/91/48/18/1072914818.db2.gz GESGFGPVBVJNSN-QGZVFWFLSA-N 1 1 396.491 3.567 20 5 GHBDMO CC1(C)C[N@H+](C2(CNc3nc4sccn4c3[N+](=O)[O-])CCCCC2)CCO1 ZINC001472691730 1073622138 /nfs/dbraw/zinc/62/21/38/1073622138.db2.gz WFKZNYYDAHMSIO-UHFFFAOYSA-N 1 1 393.513 3.530 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)c2c1 ZINC001472711858 1073629925 /nfs/dbraw/zinc/62/99/25/1073629925.db2.gz HKZCRFGGPVVOJG-KRWDZBQOSA-N 1 1 392.459 3.862 20 5 GHBDMO Cc1cc[nH+]c(N2CCN(c3c4cccc(Cl)c4ncc3[N+](=O)[O-])CC2)c1 ZINC001472722374 1073636424 /nfs/dbraw/zinc/63/64/24/1073636424.db2.gz PIOCRZSNGHWSTP-UHFFFAOYSA-N 1 1 383.839 3.826 20 5 GHBDMO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc2cnccc21 ZINC001472756316 1073652689 /nfs/dbraw/zinc/65/26/89/1073652689.db2.gz CNPQVPBBLXWUAH-IBGZPJMESA-N 1 1 392.459 3.846 20 5 GHBDMO COC(=O)/C=C\c1ccc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001472796876 1073669947 /nfs/dbraw/zinc/66/99/47/1073669947.db2.gz JCDKCBASKJQIQT-UILAEWCASA-N 1 1 383.448 3.713 20 5 GHBDMO Cc1cccc(C[N@@H+]2CCO[C@@H](CNc3ccc4ncccc4c3[N+](=O)[O-])C2)c1 ZINC001472855930 1073696169 /nfs/dbraw/zinc/69/61/69/1073696169.db2.gz SCJGONKDJJFRBJ-SFHVURJKSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1cccc(C[N@H+]2CCO[C@@H](CNc3ccc4ncccc4c3[N+](=O)[O-])C2)c1 ZINC001472855930 1073696172 /nfs/dbraw/zinc/69/61/72/1073696172.db2.gz SCJGONKDJJFRBJ-SFHVURJKSA-N 1 1 392.459 3.764 20 5 GHBDMO C[C@@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccccc1[N+](=O)[O-] ZINC001479212816 1079155642 /nfs/dbraw/zinc/15/56/42/1079155642.db2.gz GKEFJXAGRZUESX-KSZLIROESA-N 1 1 388.512 3.952 20 5 GHBDMO CCOc1cc(C[N@H+](CC)[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC001473188142 1073842423 /nfs/dbraw/zinc/84/24/23/1073842423.db2.gz YBHYPSOGQSMUKO-LJQANCHMSA-N 1 1 383.448 3.621 20 5 GHBDMO CCOc1cc(C[N@@H+](CC)[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC001473188142 1073842436 /nfs/dbraw/zinc/84/24/36/1073842436.db2.gz YBHYPSOGQSMUKO-LJQANCHMSA-N 1 1 383.448 3.621 20 5 GHBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC001473214175 1073864388 /nfs/dbraw/zinc/86/43/88/1073864388.db2.gz VKNNDYPVNCDPKO-KRWDZBQOSA-N 1 1 376.428 3.822 20 5 GHBDMO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC001473747339 1074121092 /nfs/dbraw/zinc/12/10/92/1074121092.db2.gz HWHMEWGTGZAEGB-WMZHIEFXSA-N 1 1 395.503 3.503 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc2c1OCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001473827230 1074162586 /nfs/dbraw/zinc/16/25/86/1074162586.db2.gz SOJCISGPCPRRBD-NWDGAFQWSA-N 1 1 389.839 3.861 20 5 GHBDMO C[C@]1(Cc2cccs2)CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473846759 1074172707 /nfs/dbraw/zinc/17/27/07/1074172707.db2.gz PONCLMQSKZMNOE-GOSISDBHSA-N 1 1 394.518 3.527 20 5 GHBDMO C[C@]1(Cc2cccs2)CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473846759 1074172710 /nfs/dbraw/zinc/17/27/10/1074172710.db2.gz PONCLMQSKZMNOE-GOSISDBHSA-N 1 1 394.518 3.527 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@]1(C)Cc1cccs1 ZINC001473849034 1074174564 /nfs/dbraw/zinc/17/45/64/1074174564.db2.gz YTUIDBRZHSZHRU-LJQANCHMSA-N 1 1 389.477 3.701 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001473871039 1074184020 /nfs/dbraw/zinc/18/40/20/1074184020.db2.gz OZZBUXOAUPNVBP-LJQANCHMSA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001473871039 1074184023 /nfs/dbraw/zinc/18/40/23/1074184023.db2.gz OZZBUXOAUPNVBP-LJQANCHMSA-N 1 1 379.432 3.709 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](n3cccn3)C(F)(F)F)o2)cc1 ZINC001474221849 1074298959 /nfs/dbraw/zinc/29/89/59/1074298959.db2.gz YEYCKNISZKPMMP-MRXNPFEDSA-N 1 1 380.326 3.945 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)C1 ZINC001474318050 1074339870 /nfs/dbraw/zinc/33/98/70/1074339870.db2.gz ONLMQWIBICJARB-GXFFZTMASA-N 1 1 376.320 3.581 20 5 GHBDMO CC(C)Oc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164628840 719101917 /nfs/dbraw/zinc/10/19/17/719101917.db2.gz OZEQCODMVARQPJ-UYAOXDASSA-N 1 1 396.491 3.878 20 5 GHBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841735 720661385 /nfs/dbraw/zinc/66/13/85/720661385.db2.gz PTILWDJRGHNRRE-FQEVSTJZSA-N 1 1 396.491 3.558 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3cccc([N+](=O)[O-])c3n1)[C@@H]2C ZINC001164862541 720954796 /nfs/dbraw/zinc/95/47/96/720954796.db2.gz VZOLVKRUOUIPLK-OAHLLOKOSA-N 1 1 394.479 3.761 20 5 GHBDMO Clc1ccc2ccc3ccc(N4C[C@@H]5C[N@H+](CC6CC6)C[C@H](C4)O5)nc3c2n1 ZINC001164966839 722072584 /nfs/dbraw/zinc/07/25/84/722072584.db2.gz FRJOSDQWMUMUSR-HDICACEKSA-N 1 1 394.906 3.736 20 5 GHBDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180649771 837421878 /nfs/dbraw/zinc/42/18/78/837421878.db2.gz MHYGTIWNVGKMQS-UZLBHIALSA-N 1 1 396.447 3.534 20 5 GHBDMO C[C@@H](c1ccco1)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581160274 837469429 /nfs/dbraw/zinc/46/94/29/837469429.db2.gz GTXAANQZNRZSEX-JTQLQIEISA-N 1 1 386.189 3.985 20 5 GHBDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581160274 837469432 /nfs/dbraw/zinc/46/94/32/837469432.db2.gz GTXAANQZNRZSEX-JTQLQIEISA-N 1 1 386.189 3.985 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178041534 837611551 /nfs/dbraw/zinc/61/15/51/837611551.db2.gz YGSZPXLCWXZNHA-OAHLLOKOSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178041534 837611553 /nfs/dbraw/zinc/61/15/53/837611553.db2.gz YGSZPXLCWXZNHA-OAHLLOKOSA-N 1 1 387.867 3.890 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000581967204 837757874 /nfs/dbraw/zinc/75/78/74/837757874.db2.gz ITZWYEMRZCRPBZ-IBGZPJMESA-N 1 1 378.831 3.814 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000581967204 837757879 /nfs/dbraw/zinc/75/78/79/837757879.db2.gz ITZWYEMRZCRPBZ-IBGZPJMESA-N 1 1 378.831 3.814 20 5 GHBDMO COc1cc(C[NH2+][C@@H](CCO)c2ccccc2Br)ccc1[N+](=O)[O-] ZINC000541021281 837773108 /nfs/dbraw/zinc/77/31/08/837773108.db2.gz WKYXKPSOJAYTIG-HNNXBMFYSA-N 1 1 395.253 3.579 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000175278621 834495772 /nfs/dbraw/zinc/49/57/72/834495772.db2.gz HVLPXNQLQLDPMT-LJQANCHMSA-N 1 1 381.476 3.887 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000540827016 835056917 /nfs/dbraw/zinc/05/69/17/835056917.db2.gz QHWROEQMFRYBFQ-AWEZNQCLSA-N 1 1 386.395 3.596 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000430205736 835088719 /nfs/dbraw/zinc/08/87/19/835088719.db2.gz UWRBWPRVDKTYEH-UHFFFAOYSA-N 1 1 378.375 3.925 20 5 GHBDMO CC(C)[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1nncn1C ZINC000512501099 844025294 /nfs/dbraw/zinc/02/52/94/844025294.db2.gz DHFODSUXSQKFQN-FQEVSTJZSA-N 1 1 394.479 3.978 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000471167513 835335696 /nfs/dbraw/zinc/33/56/96/835335696.db2.gz CNQPIXNHTGCMDR-FQEVSTJZSA-N 1 1 396.491 3.833 20 5 GHBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H]1C ZINC000179254787 835365886 /nfs/dbraw/zinc/36/58/86/835365886.db2.gz KRXBOMGYFJOPNT-CALCHBBNSA-N 1 1 377.488 3.569 20 5 GHBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H]1C ZINC000179254787 835365892 /nfs/dbraw/zinc/36/58/92/835365892.db2.gz KRXBOMGYFJOPNT-CALCHBBNSA-N 1 1 377.488 3.569 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000584041461 835493023 /nfs/dbraw/zinc/49/30/23/835493023.db2.gz HRSBNNIMUOBLOD-MRXNPFEDSA-N 1 1 389.839 3.730 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000573159714 835805551 /nfs/dbraw/zinc/80/55/51/835805551.db2.gz FZRJCXWFQKSLAZ-OAHLLOKOSA-N 1 1 397.401 3.825 20 5 GHBDMO CSc1ccc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC000614185497 835911473 /nfs/dbraw/zinc/91/14/73/835911473.db2.gz VFGOHXSBAINQAU-UHFFFAOYSA-N 1 1 397.504 3.905 20 5 GHBDMO CCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000179641183 835917931 /nfs/dbraw/zinc/91/79/31/835917931.db2.gz YTZOJCWNENKOKE-AWEZNQCLSA-N 1 1 394.518 3.722 20 5 GHBDMO CCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000179641183 835917938 /nfs/dbraw/zinc/91/79/38/835917938.db2.gz YTZOJCWNENKOKE-AWEZNQCLSA-N 1 1 394.518 3.722 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000584377816 835939090 /nfs/dbraw/zinc/93/90/90/835939090.db2.gz GTGBPIOYTDOKFM-HDICACEKSA-N 1 1 386.448 3.792 20 5 GHBDMO COc1cc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000584377816 835939096 /nfs/dbraw/zinc/93/90/96/835939096.db2.gz GTGBPIOYTDOKFM-HDICACEKSA-N 1 1 386.448 3.792 20 5 GHBDMO CC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000179809679 836006924 /nfs/dbraw/zinc/00/69/24/836006924.db2.gz CJNQGZVJZYWWOG-UHFFFAOYSA-N 1 1 377.828 3.562 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000535629076 836059714 /nfs/dbraw/zinc/05/97/14/836059714.db2.gz RRRYTBMMXWXNHR-HNNXBMFYSA-N 1 1 385.464 3.661 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000612479117 836284634 /nfs/dbraw/zinc/28/46/34/836284634.db2.gz UETGPKIGHFJBKG-QGZVFWFLSA-N 1 1 399.466 3.880 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000411809043 836360106 /nfs/dbraw/zinc/36/01/06/836360106.db2.gz SVRQBTCWVPDGSI-NWDGAFQWSA-N 1 1 389.374 3.595 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000612611348 836492307 /nfs/dbraw/zinc/49/23/07/836492307.db2.gz ORIPLYHTKMAKPM-MRXNPFEDSA-N 1 1 386.427 3.768 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000548952680 836558503 /nfs/dbraw/zinc/55/85/03/836558503.db2.gz SLCMRQBHIXAZLF-NVXWUHKLSA-N 1 1 383.448 3.559 20 5 GHBDMO Cc1c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126251323 844187976 /nfs/dbraw/zinc/18/79/76/844187976.db2.gz JKCZKLFUDCSFRF-ZDUSSCGKSA-N 1 1 392.456 3.504 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414265696 836822917 /nfs/dbraw/zinc/82/29/17/836822917.db2.gz RJXIDGCNEGTYLB-GOSISDBHSA-N 1 1 394.493 3.643 20 5 GHBDMO CC[N@@H+]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275409273 836996699 /nfs/dbraw/zinc/99/66/99/836996699.db2.gz BZPLWMJLMXIDFT-UHFFFAOYSA-N 1 1 385.414 3.540 20 5 GHBDMO CC[N@H+]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275409273 836996711 /nfs/dbraw/zinc/99/67/11/836996711.db2.gz BZPLWMJLMXIDFT-UHFFFAOYSA-N 1 1 385.414 3.540 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000548975361 837116021 /nfs/dbraw/zinc/11/60/21/837116021.db2.gz YKQMAXQUFNSRDM-WMZOPIPTSA-N 1 1 397.475 3.776 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2[C@H](C)O)cc1OC ZINC000580366484 837340524 /nfs/dbraw/zinc/34/05/24/837340524.db2.gz DXQMTOSKZFYHJC-YQQAZPJKSA-N 1 1 380.485 3.764 20 5 GHBDMO O=C(CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2ccccc2C1 ZINC000189092284 838069107 /nfs/dbraw/zinc/06/91/07/838069107.db2.gz XZMXJBUCJBBJEH-UHFFFAOYSA-N 1 1 379.460 3.534 20 5 GHBDMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)[C@@H](C)C1 ZINC000275628276 838080132 /nfs/dbraw/zinc/08/01/32/838080132.db2.gz JFJHUUHWNVIUCU-BUXKBTBVSA-N 1 1 399.441 3.830 20 5 GHBDMO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccsc1 ZINC000189667934 838356203 /nfs/dbraw/zinc/35/62/03/838356203.db2.gz GAUGDVGXPKYJLJ-MRXNPFEDSA-N 1 1 397.522 3.555 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001125400025 838424860 /nfs/dbraw/zinc/42/48/60/838424860.db2.gz YDHCDOGSVFHVIR-WUHBCXKYSA-N 1 1 379.460 3.650 20 5 GHBDMO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000610341170 838562667 /nfs/dbraw/zinc/56/26/67/838562667.db2.gz MYIMRMXVABECSG-OAQYLSRUSA-N 1 1 392.459 3.937 20 5 GHBDMO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000414546064 838617787 /nfs/dbraw/zinc/61/77/87/838617787.db2.gz GEOUMBQCOHNPBG-NRFANRHFSA-N 1 1 398.459 3.966 20 5 GHBDMO COc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000414546064 838617788 /nfs/dbraw/zinc/61/77/88/838617788.db2.gz GEOUMBQCOHNPBG-NRFANRHFSA-N 1 1 398.459 3.966 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610062092 838659236 /nfs/dbraw/zinc/65/92/36/838659236.db2.gz MKVBGAMTMQNCQL-UHFFFAOYSA-N 1 1 398.301 3.694 20 5 GHBDMO COc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414806052 838849567 /nfs/dbraw/zinc/84/95/67/838849567.db2.gz GZFNRPHDYOVKEM-LBPRGKRZSA-N 1 1 395.406 3.557 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472706417 839220369 /nfs/dbraw/zinc/22/03/69/839220369.db2.gz QLGKRLHMJYFLCY-HNNXBMFYSA-N 1 1 386.452 3.636 20 5 GHBDMO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000536887345 839585899 /nfs/dbraw/zinc/58/58/99/839585899.db2.gz UNIYKHPKNGVHBJ-CYBMUJFWSA-N 1 1 394.522 3.730 20 5 GHBDMO CC[C@H](CSC)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000536887345 839585907 /nfs/dbraw/zinc/58/59/07/839585907.db2.gz UNIYKHPKNGVHBJ-CYBMUJFWSA-N 1 1 394.522 3.730 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000580483463 839654082 /nfs/dbraw/zinc/65/40/82/839654082.db2.gz GHSLGDCVNWUVIY-CQSZACIVSA-N 1 1 397.353 3.774 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000610451585 840023498 /nfs/dbraw/zinc/02/34/98/840023498.db2.gz USYHYEXGNZFPTI-ROUUACIJSA-N 1 1 396.491 3.518 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+](CCCO)Cc3cccc(Cl)c3)nc2c1 ZINC000134293866 840032858 /nfs/dbraw/zinc/03/28/58/840032858.db2.gz SRVCGBVKHASTCV-UHFFFAOYSA-N 1 1 375.812 3.774 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+](CCCO)Cc3cccc(Cl)c3)nc2c1 ZINC000134293866 840032864 /nfs/dbraw/zinc/03/28/64/840032864.db2.gz SRVCGBVKHASTCV-UHFFFAOYSA-N 1 1 375.812 3.774 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+]([C@@H]4CCc5ccc(F)cc54)CC3)nc2c1 ZINC000481176499 840426800 /nfs/dbraw/zinc/42/68/00/840426800.db2.gz OSZVCZOKVPSHPL-HXUWFJFHSA-N 1 1 395.438 3.810 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000542657550 844549133 /nfs/dbraw/zinc/54/91/33/844549133.db2.gz IZBKWVZQMHOEHH-LSDHHAIUSA-N 1 1 379.476 3.854 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000511739604 840578487 /nfs/dbraw/zinc/57/84/87/840578487.db2.gz DDENJLWAMRWHSU-HXUWFJFHSA-N 1 1 381.476 3.934 20 5 GHBDMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000511773167 840714301 /nfs/dbraw/zinc/71/43/01/840714301.db2.gz SZPYARURCHELIC-FQEVSTJZSA-N 1 1 381.476 3.934 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1ccccc1C(F)(F)F ZINC000187376142 840740999 /nfs/dbraw/zinc/74/09/99/840740999.db2.gz IGBQIVCPKMDMAE-LBPRGKRZSA-N 1 1 385.367 3.570 20 5 GHBDMO CCc1ccc([C@H]([NH2+][C@H]2CCN(CC(F)F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000417395182 840813301 /nfs/dbraw/zinc/81/33/01/840813301.db2.gz VXEVBZFWYMJLKG-IFXJQAMLSA-N 1 1 379.407 3.769 20 5 GHBDMO O=C(C[N@H+](Cc1cccc(O)c1)CC1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120637194 844618587 /nfs/dbraw/zinc/61/85/87/844618587.db2.gz AVQVEAOPWCROHN-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO O=C(C[N@@H+](Cc1cccc(O)c1)CC1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120637194 844618618 /nfs/dbraw/zinc/61/86/18/844618618.db2.gz AVQVEAOPWCROHN-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000511645309 841305101 /nfs/dbraw/zinc/30/51/01/841305101.db2.gz JBDPCLIDMJMGJZ-AEFFLSMTSA-N 1 1 396.491 3.667 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](n3ncc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000510424941 841373308 /nfs/dbraw/zinc/37/33/08/841373308.db2.gz NGIIKQHZULDCFS-KRWDZBQOSA-N 1 1 393.447 3.529 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1NCC[N@@H+]1CCc2sccc2C1 ZINC000108851334 841718400 /nfs/dbraw/zinc/71/84/00/841718400.db2.gz WVDNFGJCHKWNSF-UHFFFAOYSA-N 1 1 382.283 3.889 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1NCC[N@H+]1CCc2sccc2C1 ZINC000108851334 841718405 /nfs/dbraw/zinc/71/84/05/841718405.db2.gz WVDNFGJCHKWNSF-UHFFFAOYSA-N 1 1 382.283 3.889 20 5 GHBDMO Cc1cc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302171998 861231040 /nfs/dbraw/zinc/23/10/40/861231040.db2.gz MFFDWDAAKFBJCM-IRXDYDNUSA-N 1 1 398.507 3.777 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000109306246 841849738 /nfs/dbraw/zinc/84/97/38/841849738.db2.gz VTHZTEFNBUIQPC-KRWDZBQOSA-N 1 1 399.516 3.959 20 5 GHBDMO C[C@H](OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000046836077 841880071 /nfs/dbraw/zinc/88/00/71/841880071.db2.gz PEYBCYNZSHCAAE-KSSFIOAISA-N 1 1 378.856 3.819 20 5 GHBDMO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000110390184 841901096 /nfs/dbraw/zinc/90/10/96/841901096.db2.gz UXQCKCTVPBLPBW-IHWFROFDSA-N 1 1 379.460 3.829 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477326342 842003454 /nfs/dbraw/zinc/00/34/54/842003454.db2.gz XYOPGYZJWZLPBJ-MRXNPFEDSA-N 1 1 399.466 3.967 20 5 GHBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001266797194 842005873 /nfs/dbraw/zinc/00/58/73/842005873.db2.gz IEGFCTDQAVEOQH-JKSUJKDBSA-N 1 1 382.464 3.893 20 5 GHBDMO CC[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000512023183 842173607 /nfs/dbraw/zinc/17/36/07/842173607.db2.gz IJZPTOLQNKBLNV-SFHVURJKSA-N 1 1 392.459 3.643 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)nc1 ZINC000112655627 842358377 /nfs/dbraw/zinc/35/83/77/842358377.db2.gz VAJXCSZZTMCDGK-OAHLLOKOSA-N 1 1 399.838 3.985 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000512104127 842505923 /nfs/dbraw/zinc/50/59/23/842505923.db2.gz HKIJEFJACRHEOC-HUUCEWRRSA-N 1 1 399.447 3.560 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000512104127 842505926 /nfs/dbraw/zinc/50/59/26/842505926.db2.gz HKIJEFJACRHEOC-HUUCEWRRSA-N 1 1 399.447 3.560 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C1 ZINC000247412333 842588818 /nfs/dbraw/zinc/58/88/18/842588818.db2.gz NHOKAJXXQDCMJQ-SUMWQHHRSA-N 1 1 388.493 3.521 20 5 GHBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000182091116 842726967 /nfs/dbraw/zinc/72/69/67/842726967.db2.gz SMHQEGGOVOQCQJ-OAHLLOKOSA-N 1 1 397.504 3.907 20 5 GHBDMO CCOc1cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599579810 861359493 /nfs/dbraw/zinc/35/94/93/861359493.db2.gz CUGWWTJMXVLSOK-GOEBONIOSA-N 1 1 378.469 3.793 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599579810 861359513 /nfs/dbraw/zinc/35/95/13/861359513.db2.gz CUGWWTJMXVLSOK-GOEBONIOSA-N 1 1 378.469 3.793 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000603909255 861376537 /nfs/dbraw/zinc/37/65/37/861376537.db2.gz OCPULBVUVOWWGF-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000603909255 861376551 /nfs/dbraw/zinc/37/65/51/861376551.db2.gz OCPULBVUVOWWGF-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO O=[N+]([O-])c1cccc2c(NCc3ccccc3C[NH+]3CCOCC3)ccnc21 ZINC000432309563 843299824 /nfs/dbraw/zinc/29/98/24/843299824.db2.gz BBONQKUXTUHERX-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO O=C(c1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000603943211 861431077 /nfs/dbraw/zinc/43/10/77/861431077.db2.gz DQOSVBSBLKJKGR-LJQANCHMSA-N 1 1 394.475 3.517 20 5 GHBDMO CC(C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000024745469 843627624 /nfs/dbraw/zinc/62/76/24/843627624.db2.gz YXFUOVNMHPZSOU-FQEVSTJZSA-N 1 1 382.464 3.799 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(CC)CC ZINC001167818911 843669329 /nfs/dbraw/zinc/66/93/29/843669329.db2.gz JMJKNDNWQNPCFW-ZWKOTPCHSA-N 1 1 395.475 3.978 20 5 GHBDMO C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+]1CCC[C@H](C)C1 ZINC000065101313 843700013 /nfs/dbraw/zinc/70/00/13/843700013.db2.gz KUVPQNYEIDVLRC-KBPBESRZSA-N 1 1 388.493 3.569 20 5 GHBDMO CC[NH+](CC)Cc1cccc(CN[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000056184975 861448354 /nfs/dbraw/zinc/44/83/54/861448354.db2.gz RIVIKIRLVWVHND-MRXNPFEDSA-N 1 1 384.480 3.553 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000509758994 843945160 /nfs/dbraw/zinc/94/51/60/843945160.db2.gz AWYKALRNCXIAKX-FXAWDEMLSA-N 1 1 396.491 3.695 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)ccc1Oc1ccc(F)cc1 ZINC000614453094 844894784 /nfs/dbraw/zinc/89/47/84/844894784.db2.gz JFKMHXXYPDLDJE-MRXNPFEDSA-N 1 1 383.383 3.565 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)ccc1Oc1ccc(F)cc1 ZINC000614453094 844894794 /nfs/dbraw/zinc/89/47/94/844894794.db2.gz JFKMHXXYPDLDJE-MRXNPFEDSA-N 1 1 383.383 3.565 20 5 GHBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1c1ccccc1 ZINC001167499368 845307307 /nfs/dbraw/zinc/30/73/07/845307307.db2.gz HMAXEJDIRWEGCQ-JXFKEZNVSA-N 1 1 379.460 3.610 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000131688936 861585537 /nfs/dbraw/zinc/58/55/37/861585537.db2.gz GYBZTWOVQSFHGT-INIZCTEOSA-N 1 1 382.464 3.654 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000131688936 861585544 /nfs/dbraw/zinc/58/55/44/861585544.db2.gz GYBZTWOVQSFHGT-INIZCTEOSA-N 1 1 382.464 3.654 20 5 GHBDMO COCC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCSC1 ZINC000433177714 845630255 /nfs/dbraw/zinc/63/02/55/845630255.db2.gz DSBSTEINULKMOG-QGZVFWFLSA-N 1 1 391.493 3.636 20 5 GHBDMO COc1ccc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000065533974 845771337 /nfs/dbraw/zinc/77/13/37/845771337.db2.gz XHKWZDGHADJECM-UHFFFAOYSA-N 1 1 382.363 3.716 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@]23CCOC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000421401733 846194633 /nfs/dbraw/zinc/19/46/33/846194633.db2.gz UTJAZXJJCCFYCD-OAQYLSRUSA-N 1 1 384.432 3.547 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@]23CCOC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000421401733 846194643 /nfs/dbraw/zinc/19/46/43/846194643.db2.gz UTJAZXJJCCFYCD-OAQYLSRUSA-N 1 1 384.432 3.547 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000511065752 846225575 /nfs/dbraw/zinc/22/55/75/846225575.db2.gz PNBVSTOJOFUQJY-UHFFFAOYSA-N 1 1 381.354 3.727 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000511065752 846225587 /nfs/dbraw/zinc/22/55/87/846225587.db2.gz PNBVSTOJOFUQJY-UHFFFAOYSA-N 1 1 381.354 3.727 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000501093451 846634317 /nfs/dbraw/zinc/63/43/17/846634317.db2.gz JLSUWWMOZRSQKT-IAQYHMDHSA-N 1 1 399.289 3.551 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000501303301 846817114 /nfs/dbraw/zinc/81/71/14/846817114.db2.gz CCZVQWOQCDZVAM-OAQYLSRUSA-N 1 1 395.503 3.899 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000501562202 847021606 /nfs/dbraw/zinc/02/16/06/847021606.db2.gz RFDUYOPCARKVKS-HNNXBMFYSA-N 1 1 393.237 3.979 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187737703 847055167 /nfs/dbraw/zinc/05/51/67/847055167.db2.gz CJTUFLYKQGYRRO-APWZRJJASA-N 1 1 391.512 3.585 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127627953 847173029 /nfs/dbraw/zinc/17/30/29/847173029.db2.gz OPJPOIZOLYIIPV-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000162561143 861820441 /nfs/dbraw/zinc/82/04/41/861820441.db2.gz MEKAUQLRWPDRCG-UHFFFAOYSA-N 1 1 386.496 3.718 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)c2c1 ZINC000611701022 848020185 /nfs/dbraw/zinc/02/01/85/848020185.db2.gz NHBDFHBIUICKSG-UHFFFAOYSA-N 1 1 399.401 3.893 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709259 848218351 /nfs/dbraw/zinc/21/83/51/848218351.db2.gz SEJXIWWNNZLOMJ-DNVCBOLYSA-N 1 1 377.448 3.861 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000612131567 848495516 /nfs/dbraw/zinc/49/55/16/848495516.db2.gz FDQMDMLQPVBYTD-LDQXTDLNSA-N 1 1 397.450 3.764 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000132111231 861910751 /nfs/dbraw/zinc/91/07/51/861910751.db2.gz GIKYZBPRDUHJEB-UWJYYQICSA-N 1 1 381.476 3.649 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000555816883 861936166 /nfs/dbraw/zinc/93/61/66/861936166.db2.gz ZAHRQKXYLXXSEM-VXGBXAGGSA-N 1 1 398.301 3.658 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000514877469 849028371 /nfs/dbraw/zinc/02/83/71/849028371.db2.gz LQHYTXRECBXWKQ-FQEVSTJZSA-N 1 1 387.411 3.503 20 5 GHBDMO COC(=O)/C=C/c1ccc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000732048993 862059874 /nfs/dbraw/zinc/05/98/74/862059874.db2.gz GFHMUAWUGOTSOV-YBHKSSGVSA-N 1 1 383.448 3.713 20 5 GHBDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000434898290 849879352 /nfs/dbraw/zinc/87/93/52/849879352.db2.gz UOYNHSAUSHBJMU-YJBOKZPZSA-N 1 1 381.432 3.771 20 5 GHBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000434898289 849879392 /nfs/dbraw/zinc/87/93/92/849879392.db2.gz UOYNHSAUSHBJMU-QAPCUYQASA-N 1 1 381.432 3.771 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1OC ZINC000518765327 850061152 /nfs/dbraw/zinc/06/11/52/850061152.db2.gz VOPCXTNAPMAFQC-DAYGRLMNSA-N 1 1 378.469 3.639 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[NH+](C2CCC2)CC1 ZINC000486776997 850079629 /nfs/dbraw/zinc/07/96/29/850079629.db2.gz XTOJDUZYPHCHDV-UHFFFAOYSA-N 1 1 394.475 3.517 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000506665008 850348745 /nfs/dbraw/zinc/34/87/45/850348745.db2.gz ZLCNJCSLNPTLAB-UHFFFAOYSA-N 1 1 398.459 3.700 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1[N+](=O)[O-] ZINC000425347744 850374659 /nfs/dbraw/zinc/37/46/59/850374659.db2.gz ICNDVKYHIUEDNT-IBGZPJMESA-N 1 1 392.463 3.791 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)cc1[N+](=O)[O-] ZINC000425347744 850374665 /nfs/dbraw/zinc/37/46/65/850374665.db2.gz ICNDVKYHIUEDNT-IBGZPJMESA-N 1 1 392.463 3.791 20 5 GHBDMO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435374819 850422112 /nfs/dbraw/zinc/42/21/12/850422112.db2.gz YSJPSFPVNYTJNK-IAGOWNOFSA-N 1 1 391.475 3.617 20 5 GHBDMO CC(C)(C)Oc1cc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000487076524 850427886 /nfs/dbraw/zinc/42/78/86/850427886.db2.gz SFYGSOGIRPCLLZ-RBUKOAKNSA-N 1 1 399.491 3.819 20 5 GHBDMO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487284869 850646549 /nfs/dbraw/zinc/64/65/49/850646549.db2.gz GAJBPYMFXJSBIJ-WBVHZDCISA-N 1 1 393.443 3.981 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000481739827 862164713 /nfs/dbraw/zinc/16/47/13/862164713.db2.gz JUSNRFBLOGHPJK-MRXNPFEDSA-N 1 1 377.510 3.653 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000481739827 862164722 /nfs/dbraw/zinc/16/47/22/862164722.db2.gz JUSNRFBLOGHPJK-MRXNPFEDSA-N 1 1 377.510 3.653 20 5 GHBDMO CSc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000604472317 862213493 /nfs/dbraw/zinc/21/34/93/862213493.db2.gz YBLVQRQQRIYAJG-QGZVFWFLSA-N 1 1 399.516 3.959 20 5 GHBDMO C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+]1CCC[C@H](C)C1 ZINC000436101682 851199988 /nfs/dbraw/zinc/19/99/88/851199988.db2.gz QMXOKPFRDFQPCT-HOTGVXAUSA-N 1 1 377.488 3.532 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)n2)c1 ZINC000570087035 851304829 /nfs/dbraw/zinc/30/48/29/851304829.db2.gz HMGQNWRCEGLKLO-OAQYLSRUSA-N 1 1 392.415 3.615 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)n2)c1 ZINC000570087035 851304839 /nfs/dbraw/zinc/30/48/39/851304839.db2.gz HMGQNWRCEGLKLO-OAQYLSRUSA-N 1 1 392.415 3.615 20 5 GHBDMO COc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000436376787 851531203 /nfs/dbraw/zinc/53/12/03/851531203.db2.gz CUZAOBOHLOYRTA-MRXNPFEDSA-N 1 1 376.457 3.522 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000505861141 852203650 /nfs/dbraw/zinc/20/36/50/852203650.db2.gz BMYHDTDWHSBVEE-KRWDZBQOSA-N 1 1 383.448 3.633 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000489327648 852232951 /nfs/dbraw/zinc/23/29/51/852232951.db2.gz YRAVMPRYRQTAOK-IAGOWNOFSA-N 1 1 396.491 3.710 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000210023339 852554996 /nfs/dbraw/zinc/55/49/96/852554996.db2.gz JHPYDZXYHUNIDB-DLBZAZTESA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000210023339 852555000 /nfs/dbraw/zinc/55/50/00/852555000.db2.gz JHPYDZXYHUNIDB-DLBZAZTESA-N 1 1 399.516 3.808 20 5 GHBDMO Cc1cc2c(ncnc2N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000438554221 852568031 /nfs/dbraw/zinc/56/80/31/852568031.db2.gz UQDHPFSNHJQZGL-GQCTYLIASA-N 1 1 395.488 3.743 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489859285 852613088 /nfs/dbraw/zinc/61/30/88/852613088.db2.gz LULQCESSGNLMNN-APWZRJJASA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489864806 852615602 /nfs/dbraw/zinc/61/56/02/852615602.db2.gz LQYBPIQVFVYEGB-KRWDZBQOSA-N 1 1 384.480 3.786 20 5 GHBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC1CCN(c2ccccn2)CC1 ZINC000490027433 852711500 /nfs/dbraw/zinc/71/15/00/852711500.db2.gz DNSXFULHWNNPKI-UHFFFAOYSA-N 1 1 384.480 3.737 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000426115066 852727514 /nfs/dbraw/zinc/72/75/14/852727514.db2.gz QSMXUUGDTASJDZ-SFHVURJKSA-N 1 1 397.475 3.636 20 5 GHBDMO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000490061949 852743097 /nfs/dbraw/zinc/74/30/97/852743097.db2.gz XLZSRSZAVRAKEJ-SJLPKXTDSA-N 1 1 388.489 3.555 20 5 GHBDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000490061949 852743105 /nfs/dbraw/zinc/74/31/05/852743105.db2.gz XLZSRSZAVRAKEJ-SJLPKXTDSA-N 1 1 388.489 3.555 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437184789 852845003 /nfs/dbraw/zinc/84/50/03/852845003.db2.gz DTVHMXOVGWYBKE-CYBMUJFWSA-N 1 1 387.402 3.998 20 5 GHBDMO C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490258119 852863678 /nfs/dbraw/zinc/86/36/78/852863678.db2.gz YOTOJJJKYZPKBO-MAUKXSAKSA-N 1 1 392.459 3.717 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)CCC(F)(F)F ZINC000427292687 852942675 /nfs/dbraw/zinc/94/26/75/852942675.db2.gz SQVVYFLOLIETET-UHFFFAOYSA-N 1 1 389.399 3.814 20 5 GHBDMO Cc1c(Br)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000383380927 853027886 /nfs/dbraw/zinc/02/78/86/853027886.db2.gz BFJRPARBPUVBJG-CQSZACIVSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1c(Br)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000383380927 853027891 /nfs/dbraw/zinc/02/78/91/853027891.db2.gz BFJRPARBPUVBJG-CQSZACIVSA-N 1 1 391.269 3.747 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000507628695 853124657 /nfs/dbraw/zinc/12/46/57/853124657.db2.gz GFSXAKMWJLEIHE-WBVHZDCISA-N 1 1 385.489 3.639 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000518296474 853172711 /nfs/dbraw/zinc/17/27/11/853172711.db2.gz USUPZVPVXYYPBI-LJQANCHMSA-N 1 1 388.512 3.781 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507715256 853218547 /nfs/dbraw/zinc/21/85/47/853218547.db2.gz BIGXWKVJCYQEGF-QGZVFWFLSA-N 1 1 392.459 3.896 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000439480242 853707211 /nfs/dbraw/zinc/70/72/11/853707211.db2.gz CMCZZKPMRPTSID-QGZVFWFLSA-N 1 1 385.464 3.769 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000571182031 853758849 /nfs/dbraw/zinc/75/88/49/853758849.db2.gz FIDNBVMXDQBERQ-OAQYLSRUSA-N 1 1 397.475 3.634 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC001126499037 854097745 /nfs/dbraw/zinc/09/77/45/854097745.db2.gz XNNXLGMTHFPJAT-SFHVURJKSA-N 1 1 385.439 3.951 20 5 GHBDMO Cc1ccc(N2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c([N+](=O)[O-])c1 ZINC000856534691 881344194 /nfs/dbraw/zinc/34/41/94/881344194.db2.gz ASPGWNKTEOCJLO-LJQANCHMSA-N 1 1 384.480 3.796 20 5 GHBDMO CC(C)Oc1ccc([C@H](CNCc2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000588929764 854598360 /nfs/dbraw/zinc/59/83/60/854598360.db2.gz DFPXBSKJKZTVNW-FQEVSTJZSA-N 1 1 375.444 3.914 20 5 GHBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000589197166 854743236 /nfs/dbraw/zinc/74/32/36/854743236.db2.gz YZWABUCWXDLYBB-OAQYLSRUSA-N 1 1 392.459 3.650 20 5 GHBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000589197164 854743727 /nfs/dbraw/zinc/74/37/27/854743727.db2.gz YZWABUCWXDLYBB-NRFANRHFSA-N 1 1 392.459 3.650 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)c2)cc1 ZINC000589266776 854775558 /nfs/dbraw/zinc/77/55/58/854775558.db2.gz JTZOSUCJIJPRMQ-QFIPXVFZSA-N 1 1 392.459 3.749 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(Nc3cccc(C)c3)CC2)c1 ZINC000589501967 854911019 /nfs/dbraw/zinc/91/10/19/854911019.db2.gz MYIDBAKRVBHZDS-UHFFFAOYSA-N 1 1 383.448 3.766 20 5 GHBDMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000054291295 855139670 /nfs/dbraw/zinc/13/96/70/855139670.db2.gz GTABEPUCSFTRLF-UHFFFAOYSA-N 1 1 378.429 3.819 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000057004909 855163235 /nfs/dbraw/zinc/16/32/35/855163235.db2.gz WSGOEEHIXYQWCV-KRWDZBQOSA-N 1 1 396.491 3.826 20 5 GHBDMO Cc1c[nH+]c(NCc2cccc([N+](=O)[O-])c2)nc1NCc1cccc([N+](=O)[O-])c1 ZINC000301561156 855245498 /nfs/dbraw/zinc/24/54/98/855245498.db2.gz KKLBGXDDMJBLGG-UHFFFAOYSA-N 1 1 394.391 3.826 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000553719265 855333983 /nfs/dbraw/zinc/33/39/83/855333983.db2.gz AUUQNUOBDKKCGB-UHFFFAOYSA-N 1 1 394.859 3.505 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000441502019 855483435 /nfs/dbraw/zinc/48/34/35/855483435.db2.gz RAXHEOUKLFGWGX-INIZCTEOSA-N 1 1 386.404 3.548 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]([C@@H](C)c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000573046273 855701699 /nfs/dbraw/zinc/70/16/99/855701699.db2.gz WOLHUXCAFCJSPF-HNNXBMFYSA-N 1 1 384.432 3.872 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000574765496 855849123 /nfs/dbraw/zinc/84/91/23/855849123.db2.gz LXNBIYZHNADMGF-YJBOKZPZSA-N 1 1 384.432 3.730 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000186992626 862765755 /nfs/dbraw/zinc/76/57/55/862765755.db2.gz GWYPDAGHYKGRTD-UONOGXRCSA-N 1 1 377.510 3.700 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000172328359 856400730 /nfs/dbraw/zinc/40/07/30/856400730.db2.gz ONKLTDRVBMMKIH-HOTGVXAUSA-N 1 1 390.484 3.722 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOc1ccccc1F)[C@H]1CC[C@H](O)CC1 ZINC000592131057 856671729 /nfs/dbraw/zinc/67/17/29/856671729.db2.gz SIMGFBGNRWEKGV-IYARVYRRSA-N 1 1 388.439 3.918 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOCC1CCCC1)[C@H]1CC[C@H](O)CC1 ZINC000592132579 856676322 /nfs/dbraw/zinc/67/63/22/856676322.db2.gz KNTVNQQXIJTKRI-MXVIHJGJSA-N 1 1 376.497 3.907 20 5 GHBDMO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132660 856677741 /nfs/dbraw/zinc/67/77/41/856677741.db2.gz MHESRIUZFBWBKH-XMXZMMKCSA-N 1 1 398.503 3.865 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592189244 856792687 /nfs/dbraw/zinc/79/26/87/856792687.db2.gz YYASNRGIYNQGDF-NQIIRXRSSA-N 1 1 380.444 3.728 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245403178 856825227 /nfs/dbraw/zinc/82/52/27/856825227.db2.gz KQNMNNLVJMVQPE-QRWLVFNGSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245403178 856825233 /nfs/dbraw/zinc/82/52/33/856825233.db2.gz KQNMNNLVJMVQPE-QRWLVFNGSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245403177 856825321 /nfs/dbraw/zinc/82/53/21/856825321.db2.gz KQNMNNLVJMVQPE-FOIQADDNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245403177 856825325 /nfs/dbraw/zinc/82/53/25/856825325.db2.gz KQNMNNLVJMVQPE-FOIQADDNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000245431207 856833770 /nfs/dbraw/zinc/83/37/70/856833770.db2.gz APDKUWJPWXPSTE-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000245431207 856833773 /nfs/dbraw/zinc/83/37/73/856833773.db2.gz APDKUWJPWXPSTE-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNc2cc(Br)ccc2[N+](=O)[O-])cn1 ZINC000301652258 856834736 /nfs/dbraw/zinc/83/47/36/856834736.db2.gz GQAKJJHUNZZUTI-UHFFFAOYSA-N 1 1 388.225 3.859 20 5 GHBDMO C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000485673027 856910371 /nfs/dbraw/zinc/91/03/71/856910371.db2.gz SBBXHXWYCNKGQI-IUODEOHRSA-N 1 1 391.269 4.000 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000485713980 856982025 /nfs/dbraw/zinc/98/20/25/856982025.db2.gz RUFWEDLYSPXQIP-UHFFFAOYSA-N 1 1 392.253 3.980 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592872884 857119154 /nfs/dbraw/zinc/11/91/54/857119154.db2.gz MQUUBWNOUJEHAR-QGZVFWFLSA-N 1 1 399.495 3.566 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592872884 857119162 /nfs/dbraw/zinc/11/91/62/857119162.db2.gz MQUUBWNOUJEHAR-QGZVFWFLSA-N 1 1 399.495 3.566 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592872884 857119167 /nfs/dbraw/zinc/11/91/67/857119167.db2.gz MQUUBWNOUJEHAR-QGZVFWFLSA-N 1 1 399.495 3.566 20 5 GHBDMO C[C@]1(c2cccc(F)c2)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000593046069 857198602 /nfs/dbraw/zinc/19/86/02/857198602.db2.gz MNMMRYRHULHEKI-FQEVSTJZSA-N 1 1 382.395 3.948 20 5 GHBDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000593046069 857198605 /nfs/dbraw/zinc/19/86/05/857198605.db2.gz MNMMRYRHULHEKI-FQEVSTJZSA-N 1 1 382.395 3.948 20 5 GHBDMO CCOc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000246367643 857357898 /nfs/dbraw/zinc/35/78/98/857357898.db2.gz LLUDHYMDYGIXIA-IAGOWNOFSA-N 1 1 389.496 3.720 20 5 GHBDMO COc1ccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592427681 857403135 /nfs/dbraw/zinc/40/31/35/857403135.db2.gz PVVWXYAEQXLWNC-APWZRJJASA-N 1 1 399.491 3.742 20 5 GHBDMO CSc1cccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000486124823 857454623 /nfs/dbraw/zinc/45/46/23/857454623.db2.gz UUVNVRBCEQBAIT-UHFFFAOYSA-N 1 1 385.489 3.583 20 5 GHBDMO C[NH+]1CCC2(CC1)CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CCO2 ZINC000592525623 857672322 /nfs/dbraw/zinc/67/23/22/857672322.db2.gz BHVVIIAHVPRFRB-UHFFFAOYSA-N 1 1 387.505 3.620 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000486420834 857719798 /nfs/dbraw/zinc/71/97/98/857719798.db2.gz ATPJUEKUBGSXBC-QAPCUYQASA-N 1 1 399.516 3.957 20 5 GHBDMO CSc1cccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000486467964 857764093 /nfs/dbraw/zinc/76/40/93/857764093.db2.gz NULVCQBMGQJEOR-QLFBSQMISA-N 1 1 377.510 3.794 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000113934163 857795269 /nfs/dbraw/zinc/79/52/69/857795269.db2.gz FYKGZJOUPDIARG-SQNIBIBYSA-N 1 1 388.512 3.508 20 5 GHBDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000113934332 857795468 /nfs/dbraw/zinc/79/54/68/857795468.db2.gz HRHOPULBMGMHIF-QZTJIDSGSA-N 1 1 388.512 3.510 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000113934332 857795473 /nfs/dbraw/zinc/79/54/73/857795473.db2.gz HRHOPULBMGMHIF-QZTJIDSGSA-N 1 1 388.512 3.510 20 5 GHBDMO O=C(c1cccc(F)c1)N1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255395033 857797624 /nfs/dbraw/zinc/79/76/24/857797624.db2.gz ZTTFRWGBTMNOGM-YWEYNIOJSA-N 1 1 383.423 3.595 20 5 GHBDMO O=C(c1cccc(F)c1)N1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255395033 857797627 /nfs/dbraw/zinc/79/76/27/857797627.db2.gz ZTTFRWGBTMNOGM-YWEYNIOJSA-N 1 1 383.423 3.595 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000521598441 858160840 /nfs/dbraw/zinc/16/08/40/858160840.db2.gz MTDNYFNUJIZBPC-INIZCTEOSA-N 1 1 382.464 3.877 20 5 GHBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000059287210 858279912 /nfs/dbraw/zinc/27/99/12/858279912.db2.gz YPPICSAGIICKJC-NRFANRHFSA-N 1 1 395.503 3.727 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439099049 858333835 /nfs/dbraw/zinc/33/38/35/858333835.db2.gz KDOKWTULEGFOKO-OAHLLOKOSA-N 1 1 382.464 3.680 20 5 GHBDMO COC1CC[NH+](C(C)(C)CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000521844092 858362269 /nfs/dbraw/zinc/36/22/69/858362269.db2.gz LZKUZSFXWATVNA-UHFFFAOYSA-N 1 1 387.480 3.834 20 5 GHBDMO COc1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1[N+](=O)[O-] ZINC000595000175 858362506 /nfs/dbraw/zinc/36/25/06/858362506.db2.gz JPVQLUYAGZESEN-HXUWFJFHSA-N 1 1 395.503 3.995 20 5 GHBDMO COc1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1[N+](=O)[O-] ZINC000595000175 858362515 /nfs/dbraw/zinc/36/25/15/858362515.db2.gz JPVQLUYAGZESEN-HXUWFJFHSA-N 1 1 395.503 3.995 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000595003861 858363735 /nfs/dbraw/zinc/36/37/35/858363735.db2.gz LOMAVKDGBJKBLE-UWJYYQICSA-N 1 1 399.491 3.636 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067061283 858415521 /nfs/dbraw/zinc/41/55/21/858415521.db2.gz ARAJYVNXFNLVPO-UHFFFAOYSA-N 1 1 396.491 3.648 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000439120611 858425868 /nfs/dbraw/zinc/42/58/68/858425868.db2.gz VKLWILXRPVFYNQ-GFCCVEGCSA-N 1 1 393.896 3.795 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000439120611 858425873 /nfs/dbraw/zinc/42/58/73/858425873.db2.gz VKLWILXRPVFYNQ-GFCCVEGCSA-N 1 1 393.896 3.795 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]2CCCC[C@H]12 ZINC000595733519 858669802 /nfs/dbraw/zinc/66/98/02/858669802.db2.gz RFJKCKWTPIOFBN-QRVBRYPASA-N 1 1 399.447 3.804 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595740774 858672286 /nfs/dbraw/zinc/67/22/86/858672286.db2.gz BXNOYIOUUZIFJK-LXDRIQHSSA-N 1 1 397.475 3.532 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595740774 858672291 /nfs/dbraw/zinc/67/22/91/858672291.db2.gz BXNOYIOUUZIFJK-LXDRIQHSSA-N 1 1 397.475 3.532 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595790384 858688709 /nfs/dbraw/zinc/68/87/09/858688709.db2.gz PKAXVLZJHRNZJY-APWZRJJASA-N 1 1 375.469 3.513 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595829802 858702631 /nfs/dbraw/zinc/70/26/31/858702631.db2.gz YXDOCFZISPTKIZ-HNAYVOBHSA-N 1 1 393.447 3.917 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000593126547 858720298 /nfs/dbraw/zinc/72/02/98/858720298.db2.gz WDAPDBSRYRCODE-ACRUOGEOSA-N 1 1 395.459 3.918 20 5 GHBDMO C[S@@](=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000294606185 858722799 /nfs/dbraw/zinc/72/27/99/858722799.db2.gz NYPXNQIZIGJEDC-AKJBCIBTSA-N 1 1 386.395 3.823 20 5 GHBDMO CC[N@H+](CCOc1ccccc1OC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595878791 858726019 /nfs/dbraw/zinc/72/60/19/858726019.db2.gz OTDBNUMDTPZZJK-UHFFFAOYSA-N 1 1 398.419 3.554 20 5 GHBDMO CC[N@@H+](CCOc1ccccc1OC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595878791 858726030 /nfs/dbraw/zinc/72/60/30/858726030.db2.gz OTDBNUMDTPZZJK-UHFFFAOYSA-N 1 1 398.419 3.554 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000543173461 858729044 /nfs/dbraw/zinc/72/90/44/858729044.db2.gz VLHJVAVKQAMOMW-IFXJQAMLSA-N 1 1 399.447 3.634 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000543173461 858729047 /nfs/dbraw/zinc/72/90/47/858729047.db2.gz VLHJVAVKQAMOMW-IFXJQAMLSA-N 1 1 399.447 3.634 20 5 GHBDMO C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000482707388 858782016 /nfs/dbraw/zinc/78/20/16/858782016.db2.gz OJVKXMWJZIRQIG-INIZCTEOSA-N 1 1 379.464 3.568 20 5 GHBDMO O=c1[nH]ccc(NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000596123668 858785100 /nfs/dbraw/zinc/78/51/00/858785100.db2.gz ZEVFCSHCNQOXID-HNNXBMFYSA-N 1 1 376.844 3.815 20 5 GHBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000593160598 858841471 /nfs/dbraw/zinc/84/14/71/858841471.db2.gz PYWGHPCRYNWHDD-SFHVURJKSA-N 1 1 399.466 3.695 20 5 GHBDMO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552960 881377183 /nfs/dbraw/zinc/37/71/83/881377183.db2.gz IZWMEJULVIYVLB-LHFJYWTJSA-N 1 1 396.491 3.608 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552960 881377201 /nfs/dbraw/zinc/37/72/01/881377201.db2.gz IZWMEJULVIYVLB-LHFJYWTJSA-N 1 1 396.491 3.608 20 5 GHBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000060397815 859206056 /nfs/dbraw/zinc/20/60/56/859206056.db2.gz UBXFGZNJYGHZLY-UHFFFAOYSA-N 1 1 384.480 3.804 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C2CC2)cc1 ZINC000474145147 859276698 /nfs/dbraw/zinc/27/66/98/859276698.db2.gz OTXVEFONMBSWMY-UHFFFAOYSA-N 1 1 383.839 3.994 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)s1 ZINC000597252010 859397545 /nfs/dbraw/zinc/39/75/45/859397545.db2.gz HGFPCODVCFVMNM-IJVDHGTGSA-N 1 1 387.461 3.731 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)s1 ZINC000597252010 859397554 /nfs/dbraw/zinc/39/75/54/859397554.db2.gz HGFPCODVCFVMNM-IJVDHGTGSA-N 1 1 387.461 3.731 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[N@H+]1C ZINC000611209341 859644491 /nfs/dbraw/zinc/64/44/91/859644491.db2.gz UBGFHBVCWYOCDG-KBPBESRZSA-N 1 1 377.510 3.842 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[NH+](C2CCC2)CC1 ZINC000611206183 859650872 /nfs/dbraw/zinc/65/08/72/859650872.db2.gz HTYXDJKOEQKRSL-UHFFFAOYSA-N 1 1 389.521 3.940 20 5 GHBDMO COc1cc(C[N@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092428006 860044945 /nfs/dbraw/zinc/04/49/45/860044945.db2.gz ALMLDOIQQLSGQT-CYBMUJFWSA-N 1 1 392.374 3.545 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092428006 860044966 /nfs/dbraw/zinc/04/49/66/860044966.db2.gz ALMLDOIQQLSGQT-CYBMUJFWSA-N 1 1 392.374 3.545 20 5 GHBDMO O=C(CCc1ccccc1)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092534480 860071935 /nfs/dbraw/zinc/07/19/35/860071935.db2.gz ARKMYCUOTKJYTN-IZZDOVSWSA-N 1 1 393.487 3.775 20 5 GHBDMO O=C(CCc1ccccc1)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092534480 860071950 /nfs/dbraw/zinc/07/19/50/860071950.db2.gz ARKMYCUOTKJYTN-IZZDOVSWSA-N 1 1 393.487 3.775 20 5 GHBDMO CCNC(=O)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000602513150 860083934 /nfs/dbraw/zinc/08/39/34/860083934.db2.gz ABHDLNQXPNLVNC-UHFFFAOYSA-N 1 1 381.354 3.653 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001170351757 881498254 /nfs/dbraw/zinc/49/82/54/881498254.db2.gz IADQZPCMPWMPMB-QVKFZJNVSA-N 1 1 388.439 3.921 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001170351757 881498262 /nfs/dbraw/zinc/49/82/62/881498262.db2.gz IADQZPCMPWMPMB-QVKFZJNVSA-N 1 1 388.439 3.921 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+]Cc2ccc3c(c2)OCCCO3)cc1Br ZINC000602529383 860099364 /nfs/dbraw/zinc/09/93/64/860099364.db2.gz FNKRFIYOOCYQIX-UHFFFAOYSA-N 1 1 399.266 3.870 20 5 GHBDMO CCc1ccc([C@@H]2C[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)cc1 ZINC000484542435 860102195 /nfs/dbraw/zinc/10/21/95/860102195.db2.gz QMJULQYXWRTFCO-NRFANRHFSA-N 1 1 397.475 3.868 20 5 GHBDMO CCc1ccc([C@@H]2C[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)cc1 ZINC000484542435 860102203 /nfs/dbraw/zinc/10/22/03/860102203.db2.gz QMJULQYXWRTFCO-NRFANRHFSA-N 1 1 397.475 3.868 20 5 GHBDMO Cc1ccsc1[C@@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602562189 860114072 /nfs/dbraw/zinc/11/40/72/860114072.db2.gz IHFGARQQVZZHPJ-SNVBAGLBSA-N 1 1 377.285 3.612 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000092783148 860128614 /nfs/dbraw/zinc/12/86/14/860128614.db2.gz LJPLWFYXBSSQSS-SFHVURJKSA-N 1 1 392.459 3.993 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000598195041 860140136 /nfs/dbraw/zinc/14/01/36/860140136.db2.gz JXLNKGIUFQMQQN-GOSISDBHSA-N 1 1 387.867 3.637 20 5 GHBDMO CCCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000727585336 860143693 /nfs/dbraw/zinc/14/36/93/860143693.db2.gz HWJUYLMJUZZTAW-UHFFFAOYSA-N 1 1 375.391 3.552 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1Br ZINC000602586055 860151163 /nfs/dbraw/zinc/15/11/63/860151163.db2.gz XFOXOOVZWDWWFV-ZDUSSCGKSA-N 1 1 375.288 3.810 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1Br ZINC000602586055 860151168 /nfs/dbraw/zinc/15/11/68/860151168.db2.gz XFOXOOVZWDWWFV-ZDUSSCGKSA-N 1 1 375.288 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)Cc3cccnc3)o2)c(Cl)c1 ZINC000093085578 860206991 /nfs/dbraw/zinc/20/69/91/860206991.db2.gz NRPLJXUJHWWAKJ-UHFFFAOYSA-N 1 1 387.823 3.898 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCO)Cc3cccnc3)o2)c(Cl)c1 ZINC000093085578 860207002 /nfs/dbraw/zinc/20/70/02/860207002.db2.gz NRPLJXUJHWWAKJ-UHFFFAOYSA-N 1 1 387.823 3.898 20 5 GHBDMO C[N@@H+](CCOCc1ccccc1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000154691430 860234034 /nfs/dbraw/zinc/23/40/34/860234034.db2.gz GOCBGFQGMZJTDD-UHFFFAOYSA-N 1 1 381.432 3.941 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593533088 860234328 /nfs/dbraw/zinc/23/43/28/860234328.db2.gz WMMHWDPOBFYOQC-MRXNPFEDSA-N 1 1 391.487 3.780 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000557022774 881515929 /nfs/dbraw/zinc/51/59/29/881515929.db2.gz NABCQCFSOBYDNK-OAHLLOKOSA-N 1 1 387.411 3.561 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000124401075 860352937 /nfs/dbraw/zinc/35/29/37/860352937.db2.gz ZTBODAFZEDCIHS-HNNXBMFYSA-N 1 1 388.468 3.562 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598513105 860372873 /nfs/dbraw/zinc/37/28/73/860372873.db2.gz YIJBBIRYEQCXLF-OAHLLOKOSA-N 1 1 393.365 3.618 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598513105 860372880 /nfs/dbraw/zinc/37/28/80/860372880.db2.gz YIJBBIRYEQCXLF-OAHLLOKOSA-N 1 1 393.365 3.618 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000474570680 860377246 /nfs/dbraw/zinc/37/72/46/860377246.db2.gz RKTVDAUDHGAWOE-UHFFFAOYSA-N 1 1 379.526 3.899 20 5 GHBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000155069388 860383387 /nfs/dbraw/zinc/38/33/87/860383387.db2.gz JXLKAHQHUSYYMX-AWEZNQCLSA-N 1 1 389.839 3.738 20 5 GHBDMO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000499999444 860444262 /nfs/dbraw/zinc/44/42/62/860444262.db2.gz CVIGMYWRKUBIQZ-DYESRHJHSA-N 1 1 381.476 3.821 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000155320418 860477164 /nfs/dbraw/zinc/47/71/64/860477164.db2.gz NNXDGTWHKBWSQV-MRXNPFEDSA-N 1 1 380.404 3.643 20 5 GHBDMO C[NH+](C)Cc1ccc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)cc1 ZINC000904622309 860523746 /nfs/dbraw/zinc/52/37/46/860523746.db2.gz HHHPWHHLGIDUIS-UHFFFAOYSA-N 1 1 390.403 3.764 20 5 GHBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1O ZINC000330728787 860529230 /nfs/dbraw/zinc/52/92/30/860529230.db2.gz HEANHSHWJTYQJF-SJORKVTESA-N 1 1 375.494 3.947 20 5 GHBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1O ZINC000330728787 860529237 /nfs/dbraw/zinc/52/92/37/860529237.db2.gz HEANHSHWJTYQJF-SJORKVTESA-N 1 1 375.494 3.947 20 5 GHBDMO Cc1cc(C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000025536285 860535037 /nfs/dbraw/zinc/53/50/37/860535037.db2.gz OCVQRJZMVDFUHX-OAQYLSRUSA-N 1 1 381.476 3.716 20 5 GHBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000552684268 860555470 /nfs/dbraw/zinc/55/54/70/860555470.db2.gz GCCMSHJSRGACQZ-OAQYLSRUSA-N 1 1 399.878 3.986 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301426654 860567058 /nfs/dbraw/zinc/56/70/58/860567058.db2.gz PCQQFQJAXJHQBD-YPMHNXCESA-N 1 1 377.495 3.861 20 5 GHBDMO Cc1nn(CN2CCC(CCC[NH+]3CCCC3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761292572 860658154 /nfs/dbraw/zinc/65/81/54/860658154.db2.gz LNWSZFJVPJZTNE-UHFFFAOYSA-N 1 1 385.512 3.798 20 5 GHBDMO COc1cc(C[NH2+]Cc2csc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000599009016 860725464 /nfs/dbraw/zinc/72/54/64/860725464.db2.gz XJZQEFDLPNJHCC-UHFFFAOYSA-N 1 1 376.356 3.982 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C(F)(F)F ZINC000603474532 860736350 /nfs/dbraw/zinc/73/63/50/860736350.db2.gz DSGDZIRBCOSUML-MRXNPFEDSA-N 1 1 395.381 3.927 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C(F)(F)F ZINC000603474532 860736358 /nfs/dbraw/zinc/73/63/58/860736358.db2.gz DSGDZIRBCOSUML-MRXNPFEDSA-N 1 1 395.381 3.927 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000603497583 860768808 /nfs/dbraw/zinc/76/88/08/860768808.db2.gz FAPFTGFLDAZSCG-MJGOQNOKSA-N 1 1 376.840 3.825 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599147037 860823947 /nfs/dbraw/zinc/82/39/47/860823947.db2.gz KBKSXPGALBYIRL-LBPRGKRZSA-N 1 1 398.301 3.598 20 5 GHBDMO C[C@H](CCO)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593694430 860908338 /nfs/dbraw/zinc/90/83/38/860908338.db2.gz MIIJETXVAKYNBZ-MRXNPFEDSA-N 1 1 380.448 3.650 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000025634733 860940140 /nfs/dbraw/zinc/94/01/40/860940140.db2.gz HFSHFIFQNICWHF-JKSUJKDBSA-N 1 1 399.516 3.638 20 5 GHBDMO COCCC[N@@H+](Cc1ccncc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000730253247 860974660 /nfs/dbraw/zinc/97/46/60/860974660.db2.gz DJPZLXRQWVOENU-UHFFFAOYSA-N 1 1 388.449 3.763 20 5 GHBDMO COCCC[N@H+](Cc1ccncc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000730253247 860974669 /nfs/dbraw/zinc/97/46/69/860974669.db2.gz DJPZLXRQWVOENU-UHFFFAOYSA-N 1 1 388.449 3.763 20 5 GHBDMO C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000557039185 881610158 /nfs/dbraw/zinc/61/01/58/881610158.db2.gz YINXKOOYKZRZFS-APWZRJJASA-N 1 1 381.476 3.652 20 5 GHBDMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172174207 863293576 /nfs/dbraw/zinc/29/35/76/863293576.db2.gz UBTDTWLDQICIPO-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](c2ccccc2)C1 ZINC000444283052 863816067 /nfs/dbraw/zinc/81/60/67/863816067.db2.gz CYZPZKKNGRQRQG-OFNKIYASSA-N 1 1 397.478 3.509 20 5 GHBDMO C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](c2ccccc2)C1 ZINC000444283052 863816075 /nfs/dbraw/zinc/81/60/75/863816075.db2.gz CYZPZKKNGRQRQG-OFNKIYASSA-N 1 1 397.478 3.509 20 5 GHBDMO C[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](c2ccccc2)C1 ZINC000444283044 863816538 /nfs/dbraw/zinc/81/65/38/863816538.db2.gz CYZPZKKNGRQRQG-NFBKMPQASA-N 1 1 397.478 3.509 20 5 GHBDMO C[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](c2ccccc2)C1 ZINC000444283044 863816550 /nfs/dbraw/zinc/81/65/50/863816550.db2.gz CYZPZKKNGRQRQG-NFBKMPQASA-N 1 1 397.478 3.509 20 5 GHBDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000734145093 864033694 /nfs/dbraw/zinc/03/36/94/864033694.db2.gz JQZIQHPAYBRTSC-HXUWFJFHSA-N 1 1 377.448 3.826 20 5 GHBDMO CC[N@@H+]1CC[C@@H](CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000120795760 881758093 /nfs/dbraw/zinc/75/80/93/881758093.db2.gz ZCKICOIANRXUKA-IBGZPJMESA-N 1 1 399.491 3.614 20 5 GHBDMO CC[N@H+]1CC[C@@H](CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000120795760 881758103 /nfs/dbraw/zinc/75/81/03/881758103.db2.gz ZCKICOIANRXUKA-IBGZPJMESA-N 1 1 399.491 3.614 20 5 GHBDMO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000734835485 864468105 /nfs/dbraw/zinc/46/81/05/864468105.db2.gz YQHXFFFIOZCJBB-UHFFFAOYSA-N 1 1 383.876 3.985 20 5 GHBDMO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CCO2 ZINC000475292931 864705069 /nfs/dbraw/zinc/70/50/69/864705069.db2.gz VIAOADNUFLBOBM-ORAYPTAESA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CCO2 ZINC000475292931 864705073 /nfs/dbraw/zinc/70/50/73/864705073.db2.gz VIAOADNUFLBOBM-ORAYPTAESA-N 1 1 392.839 3.888 20 5 GHBDMO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475322598 864753064 /nfs/dbraw/zinc/75/30/64/864753064.db2.gz PTRCRZLAPLOSQW-IBGZPJMESA-N 1 1 394.475 3.516 20 5 GHBDMO C[C@H](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000173594516 864892294 /nfs/dbraw/zinc/89/22/94/864892294.db2.gz ZWBGKRVBZLOWCC-CQSZACIVSA-N 1 1 375.856 3.889 20 5 GHBDMO COc1ccc([C@H]2[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3C)CC[N@H+]2C)cc1 ZINC000735900633 865041037 /nfs/dbraw/zinc/04/10/37/865041037.db2.gz IUMORXPNCKQBFO-UZLBHIALSA-N 1 1 384.432 3.762 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184919995 865042282 /nfs/dbraw/zinc/04/22/82/865042282.db2.gz XFPYXHDDRGMLKV-RDJZCZTQSA-N 1 1 385.439 3.618 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H](SCC)C2)c([N+](=O)[O-])c1 ZINC000480887522 865439964 /nfs/dbraw/zinc/43/99/64/865439964.db2.gz YNPOJIVJMMGNGG-OAHLLOKOSA-N 1 1 381.498 3.540 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@@H](SCC)C2)c([N+](=O)[O-])c1 ZINC000480887522 865439969 /nfs/dbraw/zinc/43/99/69/865439969.db2.gz YNPOJIVJMMGNGG-OAHLLOKOSA-N 1 1 381.498 3.540 20 5 GHBDMO O=[N+]([O-])c1ncccc1NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000608779433 865687103 /nfs/dbraw/zinc/68/71/03/865687103.db2.gz PAKOYAWOWVRVGQ-UHFFFAOYSA-N 1 1 379.420 3.721 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC2(CCCCC2)CC1 ZINC000608833507 865735199 /nfs/dbraw/zinc/73/51/99/865735199.db2.gz LPKZKTKACHDXDQ-OAHLLOKOSA-N 1 1 375.469 3.977 20 5 GHBDMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000608877182 865784062 /nfs/dbraw/zinc/78/40/62/865784062.db2.gz QQICTGTYUGGODJ-FUHWJXTLSA-N 1 1 382.464 3.596 20 5 GHBDMO C[C@H](OC(=O)[C@H](C)[NH+]1CCCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741029123 866186187 /nfs/dbraw/zinc/18/61/87/866186187.db2.gz LHMVIHWNMRXSDU-KBPBESRZSA-N 1 1 388.424 3.514 20 5 GHBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000121440377 866373783 /nfs/dbraw/zinc/37/37/83/866373783.db2.gz ROMHEPLLQGVTOP-QGZVFWFLSA-N 1 1 389.839 3.751 20 5 GHBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000121440377 866373792 /nfs/dbraw/zinc/37/37/92/866373792.db2.gz ROMHEPLLQGVTOP-QGZVFWFLSA-N 1 1 389.839 3.751 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000121434876 866374927 /nfs/dbraw/zinc/37/49/27/866374927.db2.gz FSDRXUHYWVAMJF-ZFWWWQNUSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000121434876 866374946 /nfs/dbraw/zinc/37/49/46/866374946.db2.gz FSDRXUHYWVAMJF-ZFWWWQNUSA-N 1 1 387.411 3.559 20 5 GHBDMO C[NH+](C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1Cl ZINC000552909550 866440260 /nfs/dbraw/zinc/44/02/60/866440260.db2.gz GDYZURHCBCFRAY-CYBMUJFWSA-N 1 1 377.857 3.968 20 5 GHBDMO CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444684371 867031017 /nfs/dbraw/zinc/03/10/17/867031017.db2.gz MALKAHTWRIQEDI-SFHVURJKSA-N 1 1 379.464 3.568 20 5 GHBDMO C[C@H]1C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1c1ccccc1 ZINC000742163302 867087157 /nfs/dbraw/zinc/08/71/57/867087157.db2.gz BLBOVEVQSAVOIV-JXFKEZNVSA-N 1 1 377.448 3.936 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]1c1ccccc1 ZINC000534754726 867383369 /nfs/dbraw/zinc/38/33/69/867383369.db2.gz QXTGLGZOAXBTRW-VQIMIIECSA-N 1 1 381.457 3.985 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)OCc1ccccc1 ZINC000793298686 882077119 /nfs/dbraw/zinc/07/71/19/882077119.db2.gz NODVHIWBXYHTMW-IBGZPJMESA-N 1 1 383.448 3.733 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000535007913 867923337 /nfs/dbraw/zinc/92/33/37/867923337.db2.gz WPGDNDUXIXWVNO-SFHVURJKSA-N 1 1 396.491 3.667 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCCN(c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000743843210 868458326 /nfs/dbraw/zinc/45/83/26/868458326.db2.gz QTVKPHLQLNGTHX-UHFFFAOYSA-N 1 1 385.464 3.503 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000535361689 868625058 /nfs/dbraw/zinc/62/50/58/868625058.db2.gz FYEYJQAECNGCIH-SFTDATJTSA-N 1 1 396.491 3.662 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000744384441 868802760 /nfs/dbraw/zinc/80/27/60/868802760.db2.gz WOVRGRAFPKTOKT-QGZVFWFLSA-N 1 1 385.439 3.718 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475635911 869053975 /nfs/dbraw/zinc/05/39/75/869053975.db2.gz DNUSNNMASQLNBZ-GOSISDBHSA-N 1 1 382.464 3.950 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000539505154 869241770 /nfs/dbraw/zinc/24/17/70/869241770.db2.gz KVMJUDFDGPLBRL-VGOFRKELSA-N 1 1 395.459 3.844 20 5 GHBDMO CC[N@@H+](Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-])CC(C)(C)O ZINC000539829576 869863455 /nfs/dbraw/zinc/86/34/55/869863455.db2.gz XUYGHGBYUKPTKN-UHFFFAOYSA-N 1 1 388.464 3.775 20 5 GHBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000428451304 870251107 /nfs/dbraw/zinc/25/11/07/870251107.db2.gz ZZNOSTOKRBQOSN-KRWDZBQOSA-N 1 1 395.253 3.964 20 5 GHBDMO COc1cccc(OCC[NH+]2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC001192401936 870373101 /nfs/dbraw/zinc/37/31/01/870373101.db2.gz QNJSGPRXYQGTRA-SFHVURJKSA-N 1 1 399.491 3.669 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355175 870428988 /nfs/dbraw/zinc/42/89/88/870428988.db2.gz UXNHGGPWOOYUHT-QGZVFWFLSA-N 1 1 390.528 3.727 20 5 GHBDMO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000446840148 870559053 /nfs/dbraw/zinc/55/90/53/870559053.db2.gz DLNOPSIMGKKPLR-QGZVFWFLSA-N 1 1 394.518 3.722 20 5 GHBDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000446840148 870559059 /nfs/dbraw/zinc/55/90/59/870559059.db2.gz DLNOPSIMGKKPLR-QGZVFWFLSA-N 1 1 394.518 3.722 20 5 GHBDMO CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000525408855 870642463 /nfs/dbraw/zinc/64/24/63/870642463.db2.gz PYDKBALMZVKGMQ-JQHSSLGASA-N 1 1 386.452 3.670 20 5 GHBDMO Cc1[nH+]ccn1CCCN(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000446887234 870681089 /nfs/dbraw/zinc/68/10/89/870681089.db2.gz PQMHZTDQVGORPZ-UHFFFAOYSA-N 1 1 378.432 3.857 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H](C(N)=O)C1 ZINC000428461475 870827929 /nfs/dbraw/zinc/82/79/29/870827929.db2.gz OWONCWLQOIAAIK-ZBEGNZNMSA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H](C(N)=O)C1 ZINC000428461475 870827942 /nfs/dbraw/zinc/82/79/42/870827942.db2.gz OWONCWLQOIAAIK-ZBEGNZNMSA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H](C(N)=O)C1 ZINC000428461469 870828591 /nfs/dbraw/zinc/82/85/91/870828591.db2.gz OWONCWLQOIAAIK-BZNIZROVSA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H](C(N)=O)C1 ZINC000428461469 870828596 /nfs/dbraw/zinc/82/85/96/870828596.db2.gz OWONCWLQOIAAIK-BZNIZROVSA-N 1 1 377.828 3.594 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[N@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169010975 871094366 /nfs/dbraw/zinc/09/43/66/871094366.db2.gz GWGDVBIYGGPPRO-NEWSRXKRSA-N 1 1 395.544 3.933 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](C2CCC2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053769 871133795 /nfs/dbraw/zinc/13/37/95/871133795.db2.gz JMDLWYOXIWRGFB-JQHSSLGASA-N 1 1 381.517 3.686 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](C2CC2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169054556 871133864 /nfs/dbraw/zinc/13/38/64/871133864.db2.gz MPDOTNJSVRVTEQ-XYJFISCASA-N 1 1 381.517 3.543 20 5 GHBDMO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001169090656 871200821 /nfs/dbraw/zinc/20/08/21/871200821.db2.gz JEMMCXTYRFIIII-SFHVURJKSA-N 1 1 384.436 3.599 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001127244678 871319439 /nfs/dbraw/zinc/31/94/39/871319439.db2.gz GRKOPJWNDHHSAY-HOTGVXAUSA-N 1 1 385.439 3.777 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001127244678 871319462 /nfs/dbraw/zinc/31/94/62/871319462.db2.gz GRKOPJWNDHHSAY-HOTGVXAUSA-N 1 1 385.439 3.777 20 5 GHBDMO COc1ccc(OCC[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000441238623 871360412 /nfs/dbraw/zinc/36/04/12/871360412.db2.gz ZANAIXAVJCYUSU-IBGZPJMESA-N 1 1 386.448 3.663 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000539136196 871393886 /nfs/dbraw/zinc/39/38/86/871393886.db2.gz JTNUAPBGMWRAAQ-UHFFFAOYSA-N 1 1 391.512 3.580 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC23CCOCC3)cc1OC ZINC000618318282 871486605 /nfs/dbraw/zinc/48/66/05/871486605.db2.gz NTJPMFJXYNPEJH-OAHLLOKOSA-N 1 1 378.469 3.783 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC23CCOCC3)cc1OC ZINC000618318282 871486616 /nfs/dbraw/zinc/48/66/16/871486616.db2.gz NTJPMFJXYNPEJH-OAHLLOKOSA-N 1 1 378.469 3.783 20 5 GHBDMO Cc1cccc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1[N+](=O)[O-] ZINC001169520372 871593604 /nfs/dbraw/zinc/59/36/04/871593604.db2.gz PDUSISGLFISRNT-HKUYNNGSSA-N 1 1 383.448 3.774 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001194260012 871596391 /nfs/dbraw/zinc/59/63/91/871596391.db2.gz CCBWBOXCKPPMCG-JOCHJYFZSA-N 1 1 397.475 3.986 20 5 GHBDMO COc1cc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c([N+](=O)[O-])cc1OC ZINC000539329801 871708527 /nfs/dbraw/zinc/70/85/27/871708527.db2.gz DACJTXYWDROPES-UHFFFAOYSA-N 1 1 399.447 3.501 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462182814 871784322 /nfs/dbraw/zinc/78/43/22/871784322.db2.gz QJWFXNHWUHNQDP-ZNLUXHQJSA-N 1 1 395.503 3.800 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000462183491 871786549 /nfs/dbraw/zinc/78/65/49/871786549.db2.gz BXSQUIYPAAKNAP-YOEHRIQHSA-N 1 1 385.489 3.567 20 5 GHBDMO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC000552045371 871929731 /nfs/dbraw/zinc/92/97/31/871929731.db2.gz FIJTUQHNXQLAMH-QRVBRYPASA-N 1 1 386.496 3.991 20 5 GHBDMO C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182198988 872019117 /nfs/dbraw/zinc/01/91/17/872019117.db2.gz NUNAKUREVRAHPV-KGLIPLIRSA-N 1 1 387.461 3.637 20 5 GHBDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182198988 872019132 /nfs/dbraw/zinc/01/91/32/872019132.db2.gz NUNAKUREVRAHPV-KGLIPLIRSA-N 1 1 387.461 3.637 20 5 GHBDMO CC[N@H+]1CC[C@H](CNCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000101593403 872116909 /nfs/dbraw/zinc/11/69/09/872116909.db2.gz JZCNEBLGNIPYSG-GOSISDBHSA-N 1 1 399.491 3.614 20 5 GHBDMO COc1cc(C[NH2+]CC(C)(C)N(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101588855 872116930 /nfs/dbraw/zinc/11/69/30/872116930.db2.gz DBQGSMPCBCZEOL-UHFFFAOYSA-N 1 1 387.480 3.612 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000540862613 872337987 /nfs/dbraw/zinc/33/79/87/872337987.db2.gz IHMGKAJJXRSGGA-GOSISDBHSA-N 1 1 377.448 3.802 20 5 GHBDMO Cc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000552336742 872492729 /nfs/dbraw/zinc/49/27/29/872492729.db2.gz IOFBVUSDULLICL-QFIPXVFZSA-N 1 1 379.460 3.641 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC001195728869 872580006 /nfs/dbraw/zinc/58/00/06/872580006.db2.gz JXFCHMFBUHRTQU-IPMKNSEASA-N 1 1 383.492 3.957 20 5 GHBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCc2ccc(F)cc21 ZINC001195704186 872594728 /nfs/dbraw/zinc/59/47/28/872594728.db2.gz JEWCBTWNUWYSRJ-ZDUSSCGKSA-N 1 1 389.402 3.863 20 5 GHBDMO COc1cc(C[NH+]2CC([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000619432155 872643850 /nfs/dbraw/zinc/64/38/50/872643850.db2.gz PGNYHCZYXFRLGK-QGZVFWFLSA-N 1 1 398.459 3.651 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCOC2)O1 ZINC000619434230 872647075 /nfs/dbraw/zinc/64/70/75/872647075.db2.gz KVIRJUQMBLBPLC-BFUOFWGJSA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCOC2)O1 ZINC000619434230 872647079 /nfs/dbraw/zinc/64/70/79/872647079.db2.gz KVIRJUQMBLBPLC-BFUOFWGJSA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448034768 872723812 /nfs/dbraw/zinc/72/38/12/872723812.db2.gz LGEYGXBBXONZDT-FOIQADDNSA-N 1 1 382.464 3.825 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000541056843 872810345 /nfs/dbraw/zinc/81/03/45/872810345.db2.gz LWWOUBYCCLICRX-IAGOWNOFSA-N 1 1 393.528 3.802 20 5 GHBDMO COc1ccc(C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](CO)C(C)C)cc1 ZINC000491304929 872846839 /nfs/dbraw/zinc/84/68/39/872846839.db2.gz LERGOYGPKXKBFP-HXUWFJFHSA-N 1 1 376.428 3.762 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](CO)C(C)C)cc1 ZINC000491304929 872846847 /nfs/dbraw/zinc/84/68/47/872846847.db2.gz LERGOYGPKXKBFP-HXUWFJFHSA-N 1 1 376.428 3.762 20 5 GHBDMO Cc1c(CC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001127247493 872916780 /nfs/dbraw/zinc/91/67/80/872916780.db2.gz XLNCUKZDHLJVDG-IRXDYDNUSA-N 1 1 381.476 3.567 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463965732 872979233 /nfs/dbraw/zinc/97/92/33/872979233.db2.gz AXNUOIHPDQZIQL-GOSISDBHSA-N 1 1 382.464 3.950 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000121441705 873153758 /nfs/dbraw/zinc/15/37/58/873153758.db2.gz HXWCAGVPTAJVGD-INIZCTEOSA-N 1 1 395.463 3.630 20 5 GHBDMO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C[C@H]1CC=CCC1 ZINC000541319811 873364168 /nfs/dbraw/zinc/36/41/68/873364168.db2.gz DSSCJIUEJLIQBH-AWEZNQCLSA-N 1 1 386.477 3.945 20 5 GHBDMO COc1cc2c(cc1OC)CC[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000768553835 873382174 /nfs/dbraw/zinc/38/21/74/873382174.db2.gz GPKCJXVKUXUVAA-UHFFFAOYSA-N 1 1 376.840 3.866 20 5 GHBDMO O=C(C[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001196898954 873465886 /nfs/dbraw/zinc/46/58/86/873465886.db2.gz JTBZXGIRUOKWGF-OIISXLGYSA-N 1 1 385.851 3.922 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H](OC2CCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001197070249 873577635 /nfs/dbraw/zinc/57/76/35/873577635.db2.gz WIBJPQLDNSLWEW-OAHLLOKOSA-N 1 1 381.860 3.610 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H](OC2CCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001197070249 873577639 /nfs/dbraw/zinc/57/76/39/873577639.db2.gz WIBJPQLDNSLWEW-OAHLLOKOSA-N 1 1 381.860 3.610 20 5 GHBDMO O=C(C[N@H+]1CCCC[C@@H](C2CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001197285435 873712961 /nfs/dbraw/zinc/71/29/61/873712961.db2.gz QFLDOVGHGBLGNQ-OAHLLOKOSA-N 1 1 395.887 3.715 20 5 GHBDMO CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nc1C ZINC001197404826 873773426 /nfs/dbraw/zinc/77/34/26/873773426.db2.gz XBISIODSPMJNSV-GFCCVEGCSA-N 1 1 393.440 3.665 20 5 GHBDMO CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nc1C ZINC001197404826 873773432 /nfs/dbraw/zinc/77/34/32/873773432.db2.gz XBISIODSPMJNSV-GFCCVEGCSA-N 1 1 393.440 3.665 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000023230243 874015859 /nfs/dbraw/zinc/01/58/59/874015859.db2.gz XPJCJXCCSNRHKD-KRWDZBQOSA-N 1 1 391.855 3.680 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000769510687 874118180 /nfs/dbraw/zinc/11/81/80/874118180.db2.gz BYPNKXNOWBLMBJ-IBGZPJMESA-N 1 1 387.455 3.929 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000541718131 874161130 /nfs/dbraw/zinc/16/11/30/874161130.db2.gz KLNSYKCHKOBILH-LJQANCHMSA-N 1 1 375.469 3.513 20 5 GHBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000494680875 882802473 /nfs/dbraw/zinc/80/24/73/882802473.db2.gz PEHCFLONOKIBJW-DENIHFKCSA-N 1 1 379.460 3.513 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCC[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001198183100 874267349 /nfs/dbraw/zinc/26/73/49/874267349.db2.gz CALYCGWFDNWHNU-OXJNMPFZSA-N 1 1 375.469 3.864 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCC[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001198183100 874267361 /nfs/dbraw/zinc/26/73/61/874267361.db2.gz CALYCGWFDNWHNU-OXJNMPFZSA-N 1 1 375.469 3.864 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000475721214 882814299 /nfs/dbraw/zinc/81/42/99/882814299.db2.gz MSLVMQHIODUPFT-MRXNPFEDSA-N 1 1 388.420 3.857 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000475721214 882814310 /nfs/dbraw/zinc/81/43/10/882814310.db2.gz MSLVMQHIODUPFT-MRXNPFEDSA-N 1 1 388.420 3.857 20 5 GHBDMO Cc1cc(Br)ccc1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000769831222 874314191 /nfs/dbraw/zinc/31/41/91/874314191.db2.gz GDEUQMQHOHXSNI-KRWDZBQOSA-N 1 1 379.254 3.831 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cc(Cl)ccc1F ZINC000769850237 874324519 /nfs/dbraw/zinc/32/45/19/874324519.db2.gz BGUSZFFXVCQGKH-UHFFFAOYSA-N 1 1 383.782 3.987 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464765292 874455987 /nfs/dbraw/zinc/45/59/87/874455987.db2.gz KWWFDLJBXZSEJA-INIZCTEOSA-N 1 1 385.489 3.956 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464765292 874456000 /nfs/dbraw/zinc/45/60/00/874456000.db2.gz KWWFDLJBXZSEJA-INIZCTEOSA-N 1 1 385.489 3.956 20 5 GHBDMO O=C1[C@H]([N@H+]2CC[C@H](CSc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000464766663 874459097 /nfs/dbraw/zinc/45/90/97/874459097.db2.gz UWVXULBHFXBKOO-OXJNMPFZSA-N 1 1 397.500 3.814 20 5 GHBDMO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782676 874486711 /nfs/dbraw/zinc/48/67/11/874486711.db2.gz ZIFRXVNAUCKRNQ-QGZVFWFLSA-N 1 1 397.475 3.658 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001198706560 874598053 /nfs/dbraw/zinc/59/80/53/874598053.db2.gz QGJNALROBQCUSQ-GOEBONIOSA-N 1 1 375.469 3.833 20 5 GHBDMO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000770380889 874622025 /nfs/dbraw/zinc/62/20/25/874622025.db2.gz IMQRPKIIUITLGP-ZDUSSCGKSA-N 1 1 399.285 3.913 20 5 GHBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000770380889 874622027 /nfs/dbraw/zinc/62/20/27/874622027.db2.gz IMQRPKIIUITLGP-ZDUSSCGKSA-N 1 1 399.285 3.913 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccco2)C1 ZINC000464857461 874654704 /nfs/dbraw/zinc/65/47/04/874654704.db2.gz NTNQLYMRCRDPCN-GDBMZVCRSA-N 1 1 385.420 3.959 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000449785876 875407377 /nfs/dbraw/zinc/40/73/77/875407377.db2.gz JPOVEMUXHIKOCW-UHFFFAOYSA-N 1 1 389.418 3.842 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000449785876 875407387 /nfs/dbraw/zinc/40/73/87/875407387.db2.gz JPOVEMUXHIKOCW-UHFFFAOYSA-N 1 1 389.418 3.842 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000026338985 875557351 /nfs/dbraw/zinc/55/73/51/875557351.db2.gz AVUBAKOWIKTVCA-ZDUSSCGKSA-N 1 1 375.400 3.764 20 5 GHBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000465355648 875577467 /nfs/dbraw/zinc/57/74/67/875577467.db2.gz CNGWKIZMGXPXHD-UHFFFAOYSA-N 1 1 398.463 3.645 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000030268799 875948624 /nfs/dbraw/zinc/94/86/24/875948624.db2.gz KUPDSESSCWNALI-UHFFFAOYSA-N 1 1 389.427 3.772 20 5 GHBDMO Cc1nc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)ncc1[N+](=O)[O-] ZINC000450263327 876184310 /nfs/dbraw/zinc/18/43/10/876184310.db2.gz BKQXAERDZSECQV-UHFFFAOYSA-N 1 1 395.385 3.789 20 5 GHBDMO CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786129894 876495907 /nfs/dbraw/zinc/49/59/07/876495907.db2.gz VTLYTDZVMWBPQI-OXJNMPFZSA-N 1 1 385.464 3.676 20 5 GHBDMO CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786129894 876495911 /nfs/dbraw/zinc/49/59/11/876495911.db2.gz VTLYTDZVMWBPQI-OXJNMPFZSA-N 1 1 385.464 3.676 20 5 GHBDMO O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000787226361 877278772 /nfs/dbraw/zinc/27/87/72/877278772.db2.gz MJUAEPPOCRUFDA-UHFFFAOYSA-N 1 1 392.293 3.609 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CCC[N@@H+](CC3CCCCC3)CC2)c2c(c1)COCO2 ZINC000054318328 877289860 /nfs/dbraw/zinc/28/98/60/877289860.db2.gz FLOCHMULXDLZSD-UHFFFAOYSA-N 1 1 389.496 3.549 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000477292665 877379182 /nfs/dbraw/zinc/37/91/82/877379182.db2.gz OMDGXWHUJFOMFF-HXUWFJFHSA-N 1 1 397.475 3.634 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000610160421 877465075 /nfs/dbraw/zinc/46/50/75/877465075.db2.gz MVFBPBCHEYBDSA-SFHVURJKSA-N 1 1 395.381 3.663 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000492759769 877524385 /nfs/dbraw/zinc/52/43/85/877524385.db2.gz XKMMENLFQCBSSQ-MRXNPFEDSA-N 1 1 379.464 3.658 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000031005676 877746281 /nfs/dbraw/zinc/74/62/81/877746281.db2.gz LCTBLCUDJUSQMP-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000031005676 877746288 /nfs/dbraw/zinc/74/62/88/877746288.db2.gz LCTBLCUDJUSQMP-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451347696 877797908 /nfs/dbraw/zinc/79/79/08/877797908.db2.gz UMRLYLPMHURXHH-FOZNTRSISA-N 1 1 395.887 3.591 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451347696 877797915 /nfs/dbraw/zinc/79/79/15/877797915.db2.gz UMRLYLPMHURXHH-FOZNTRSISA-N 1 1 395.887 3.591 20 5 GHBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)c2)C[C@H](C)O1 ZINC000152373412 877915284 /nfs/dbraw/zinc/91/52/84/877915284.db2.gz LOFDGGIDQXCVNH-IRXDYDNUSA-N 1 1 397.475 3.775 20 5 GHBDMO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000851867989 877950212 /nfs/dbraw/zinc/95/02/12/877950212.db2.gz OGZGVXZIHCEARM-BBRMVZONSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000851867989 877950224 /nfs/dbraw/zinc/95/02/24/877950224.db2.gz OGZGVXZIHCEARM-BBRMVZONSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc(F)ccc1F ZINC000179778586 878003518 /nfs/dbraw/zinc/00/35/18/878003518.db2.gz HBPUCDGVQRIIAG-QGZVFWFLSA-N 1 1 375.375 3.503 20 5 GHBDMO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001170086376 878168024 /nfs/dbraw/zinc/16/80/24/878168024.db2.gz SBXIBKCTXIMORQ-FXAWDEMLSA-N 1 1 389.496 3.860 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)cc1OC ZINC000451576101 878185765 /nfs/dbraw/zinc/18/57/65/878185765.db2.gz UBPVJOIRRXVSNH-RLFYNMQTSA-N 1 1 380.485 3.885 20 5 GHBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591619 878298271 /nfs/dbraw/zinc/29/82/71/878298271.db2.gz LGKMAIMZPIRQCL-VQTJNVASSA-N 1 1 380.448 3.835 20 5 GHBDMO O=[N+]([O-])c1nn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1Br ZINC000795687419 912393211 /nfs/dbraw/zinc/39/32/11/912393211.db2.gz LESKSBBNKOVIGP-LZWOXQAQSA-N 1 1 391.269 3.779 20 5 GHBDMO O=[N+]([O-])c1nn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1Br ZINC000795687419 912393235 /nfs/dbraw/zinc/39/32/35/912393235.db2.gz LESKSBBNKOVIGP-LZWOXQAQSA-N 1 1 391.269 3.779 20 5 GHBDMO C[N@@H+](CCc1cccc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1)C1CC1 ZINC000538138886 878880259 /nfs/dbraw/zinc/88/02/59/878880259.db2.gz WHHAKVPASHRNPE-UHFFFAOYSA-N 1 1 380.448 3.860 20 5 GHBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497033 879063395 /nfs/dbraw/zinc/06/33/95/879063395.db2.gz OHHZYAHQYJXUKO-ZBFHGGJFSA-N 1 1 381.411 3.828 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNCC2([NH+]3CCCCC3)CCOCC2)o1 ZINC000111403717 879122070 /nfs/dbraw/zinc/12/20/70/879122070.db2.gz XMVLWBJPKKZFFY-UHFFFAOYSA-N 1 1 399.491 3.980 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[NH+]3CCC([C@@H]4CCCCO4)CC3)c2c(Cl)c1 ZINC000853572099 879130161 /nfs/dbraw/zinc/13/01/61/879130161.db2.gz PFMICXHIZHSBSJ-KRWDZBQOSA-N 1 1 378.860 3.837 20 5 GHBDMO Cn1nncc1C[NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000538419692 879431817 /nfs/dbraw/zinc/43/18/17/879431817.db2.gz YFIWGHQJBNBYSC-UHFFFAOYSA-N 1 1 391.790 3.598 20 5 GHBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000618570493 879881653 /nfs/dbraw/zinc/88/16/53/879881653.db2.gz KCCPMSOZHFQCGS-PWRODBHTSA-N 1 1 397.523 3.777 20 5 GHBDMO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452833940 880117774 /nfs/dbraw/zinc/11/77/74/880117774.db2.gz BKEBQRHZOYBPCE-OALUTQOASA-N 1 1 385.508 3.955 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000858821538 883379284 /nfs/dbraw/zinc/37/92/84/883379284.db2.gz LAKQRONAFHGFRZ-UHFFFAOYSA-N 1 1 380.448 3.545 20 5 GHBDMO CN(c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286397955 912728014 /nfs/dbraw/zinc/72/80/14/912728014.db2.gz ODFLNMRYVBHFKB-ZACCUICWSA-N 1 1 394.344 3.705 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000609787713 883681854 /nfs/dbraw/zinc/68/18/54/883681854.db2.gz VGDLOUDJVHXTKO-GOSISDBHSA-N 1 1 387.867 3.572 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1F ZINC000609855943 883736095 /nfs/dbraw/zinc/73/60/95/883736095.db2.gz PPGDDSSNDSYORR-UHFFFAOYSA-N 1 1 388.786 3.811 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)c1 ZINC000542508227 883865840 /nfs/dbraw/zinc/86/58/40/883865840.db2.gz XXSNXCXRPWNGFE-UHFFFAOYSA-N 1 1 393.285 3.546 20 5 GHBDMO O=C(CC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000859927611 884178529 /nfs/dbraw/zinc/17/85/29/884178529.db2.gz MVQFSKQFJJTBAL-RYQLBKOJSA-N 1 1 383.423 3.798 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000026224299 884185846 /nfs/dbraw/zinc/18/58/46/884185846.db2.gz QVASZMAILXTZQH-UHFFFAOYSA-N 1 1 393.390 3.965 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)c1 ZINC001130458423 884263673 /nfs/dbraw/zinc/26/36/73/884263673.db2.gz MXUCIXVQRBZXNC-ULQDDVLXSA-N 1 1 397.475 3.727 20 5 GHBDMO CC[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1CCCCC1 ZINC001130588874 884560594 /nfs/dbraw/zinc/56/05/94/884560594.db2.gz LMSKDBABBMDEBB-UHFFFAOYSA-N 1 1 394.491 3.574 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000919264127 885219676 /nfs/dbraw/zinc/21/96/76/885219676.db2.gz HLKSSXCYIJAPLE-CALCHBBNSA-N 1 1 398.459 3.604 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000919264127 885219693 /nfs/dbraw/zinc/21/96/93/885219693.db2.gz HLKSSXCYIJAPLE-CALCHBBNSA-N 1 1 398.459 3.604 20 5 GHBDMO COc1cccc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000498683767 885264686 /nfs/dbraw/zinc/26/46/86/885264686.db2.gz XBDJUXGKIXKRNR-OAHLLOKOSA-N 1 1 383.448 3.810 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c2ccc([N+](=O)[O-])cc12 ZINC000774701075 912918917 /nfs/dbraw/zinc/91/89/17/912918917.db2.gz GPHWCEICPITBQT-OAQYLSRUSA-N 1 1 378.432 3.732 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c2ccc([N+](=O)[O-])cc12 ZINC000774701075 912918924 /nfs/dbraw/zinc/91/89/24/912918924.db2.gz GPHWCEICPITBQT-OAQYLSRUSA-N 1 1 378.432 3.732 20 5 GHBDMO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000266028303 885571177 /nfs/dbraw/zinc/57/11/77/885571177.db2.gz ZKCUXULZPIDDNW-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](Nc3cc([N+](=O)[O-])ccc3C(C)=O)C2)cc(OC)c1 ZINC000807994576 885915016 /nfs/dbraw/zinc/91/50/16/885915016.db2.gz VHBZQEZHSNGTPX-INIZCTEOSA-N 1 1 399.447 3.501 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Nc3cc([N+](=O)[O-])ccc3C(C)=O)C2)cc(OC)c1 ZINC000807994576 885915025 /nfs/dbraw/zinc/91/50/25/885915025.db2.gz VHBZQEZHSNGTPX-INIZCTEOSA-N 1 1 399.447 3.501 20 5 GHBDMO CC(C)[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001131238789 886238844 /nfs/dbraw/zinc/23/88/44/886238844.db2.gz HGDYCIDPPGGFMV-QFIPXVFZSA-N 1 1 395.503 3.896 20 5 GHBDMO CC(C)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C ZINC000777238143 886268753 /nfs/dbraw/zinc/26/87/53/886268753.db2.gz OZSURCJHOUQPAE-SFHVURJKSA-N 1 1 377.485 3.520 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000747529825 886801769 /nfs/dbraw/zinc/80/17/69/886801769.db2.gz BTNMGTZYTIFAFO-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000747529825 886801780 /nfs/dbraw/zinc/80/17/80/886801780.db2.gz BTNMGTZYTIFAFO-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO COC(C)(C)C[N@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000532645590 886811483 /nfs/dbraw/zinc/81/14/83/886811483.db2.gz WTJKNKHWBWFECY-IBGZPJMESA-N 1 1 385.464 3.940 20 5 GHBDMO COC(C)(C)C[N@@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000532645590 886811497 /nfs/dbraw/zinc/81/14/97/886811497.db2.gz WTJKNKHWBWFECY-IBGZPJMESA-N 1 1 385.464 3.940 20 5 GHBDMO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000809568090 887548787 /nfs/dbraw/zinc/54/87/87/887548787.db2.gz GUZMIOZRWIKVHD-UHFFFAOYSA-N 1 1 375.469 3.864 20 5 GHBDMO CC(C)c1nc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000272477421 887562166 /nfs/dbraw/zinc/56/21/66/887562166.db2.gz BLQIOYUBYNGHAJ-KRWDZBQOSA-N 1 1 385.493 3.830 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000153325619 887653112 /nfs/dbraw/zinc/65/31/12/887653112.db2.gz TZGYKUDWHQTHMZ-HNNXBMFYSA-N 1 1 396.447 3.964 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000174815012 887995860 /nfs/dbraw/zinc/99/58/60/887995860.db2.gz FSRQXVZWDXFVLI-AWEZNQCLSA-N 1 1 389.887 3.946 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000174815012 887995872 /nfs/dbraw/zinc/99/58/72/887995872.db2.gz FSRQXVZWDXFVLI-AWEZNQCLSA-N 1 1 389.887 3.946 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796115243 913294125 /nfs/dbraw/zinc/29/41/25/913294125.db2.gz OEUDECSYAQGPNP-KRWDZBQOSA-N 1 1 396.491 3.697 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796115243 913294136 /nfs/dbraw/zinc/29/41/36/913294136.db2.gz OEUDECSYAQGPNP-KRWDZBQOSA-N 1 1 396.491 3.697 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000532930308 889307778 /nfs/dbraw/zinc/30/77/78/889307778.db2.gz QFCQSOGDNHZJMS-GOSISDBHSA-N 1 1 397.475 3.948 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCc2ccccc21 ZINC000532935159 889378529 /nfs/dbraw/zinc/37/85/29/889378529.db2.gz OMMLVDSEPQUTIJ-LJQANCHMSA-N 1 1 383.448 3.941 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000532960608 889433418 /nfs/dbraw/zinc/43/34/18/889433418.db2.gz UYQKEOVYMALVBQ-UHFFFAOYSA-N 1 1 393.447 3.657 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000532960608 889433421 /nfs/dbraw/zinc/43/34/21/889433421.db2.gz UYQKEOVYMALVBQ-UHFFFAOYSA-N 1 1 393.447 3.657 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000532972188 889476353 /nfs/dbraw/zinc/47/63/53/889476353.db2.gz PMPCOXLTRGDWOJ-YSGRDPCXSA-N 1 1 389.496 3.757 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000811444901 889601417 /nfs/dbraw/zinc/60/14/17/889601417.db2.gz NFHNEYUAQDCRJC-IBGZPJMESA-N 1 1 391.399 3.506 20 5 GHBDMO COC(=O)/C=C/c1ccc(NCCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000917073044 891010537 /nfs/dbraw/zinc/01/05/37/891010537.db2.gz BEAHWLQUSHCLBU-PXUDHTSWSA-N 1 1 375.469 3.848 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812847151 891037254 /nfs/dbraw/zinc/03/72/54/891037254.db2.gz BBJCXCKWSDEIOQ-YJYMSZOUSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812847151 891037262 /nfs/dbraw/zinc/03/72/62/891037262.db2.gz BBJCXCKWSDEIOQ-YJYMSZOUSA-N 1 1 391.855 3.631 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000872076637 891143113 /nfs/dbraw/zinc/14/31/13/891143113.db2.gz OSMQNYOUMRHHPS-LBPRGKRZSA-N 1 1 380.491 3.571 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc2cnccc21 ZINC000813171153 891326665 /nfs/dbraw/zinc/32/66/65/891326665.db2.gz DXHWTNDYXDLZSX-SFHVURJKSA-N 1 1 377.400 3.574 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc2cnccc21 ZINC000813171153 891326682 /nfs/dbraw/zinc/32/66/82/891326682.db2.gz DXHWTNDYXDLZSX-SFHVURJKSA-N 1 1 377.400 3.574 20 5 GHBDMO CC[C@@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(OC)cc1 ZINC000813170614 891328011 /nfs/dbraw/zinc/32/80/11/891328011.db2.gz RAONHOXOCPMTQN-LEWJYISDSA-N 1 1 398.459 3.915 20 5 GHBDMO CC[C@@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(OC)cc1 ZINC000813170614 891328027 /nfs/dbraw/zinc/32/80/27/891328027.db2.gz RAONHOXOCPMTQN-LEWJYISDSA-N 1 1 398.459 3.915 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ncoc1-c1ccccc1 ZINC000813171785 891330439 /nfs/dbraw/zinc/33/04/39/891330439.db2.gz AOJAUHDSZJPFCB-SFHVURJKSA-N 1 1 393.399 3.681 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ncoc1-c1ccccc1 ZINC000813171785 891330449 /nfs/dbraw/zinc/33/04/49/891330449.db2.gz AOJAUHDSZJPFCB-SFHVURJKSA-N 1 1 393.399 3.681 20 5 GHBDMO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCC2 ZINC000152464979 891890604 /nfs/dbraw/zinc/89/06/04/891890604.db2.gz ZJWZLGPNAVULPN-MRXNPFEDSA-N 1 1 389.477 3.990 20 5 GHBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCC2 ZINC000152464979 891890613 /nfs/dbraw/zinc/89/06/13/891890613.db2.gz ZJWZLGPNAVULPN-MRXNPFEDSA-N 1 1 389.477 3.990 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000287967991 913607249 /nfs/dbraw/zinc/60/72/49/913607249.db2.gz ZLGWMDUHAHTROH-UHFFFAOYSA-N 1 1 384.465 3.516 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001185098112 913636458 /nfs/dbraw/zinc/63/64/58/913636458.db2.gz JAFWEBCMMFSJTQ-IBGZPJMESA-N 1 1 383.496 3.849 20 5 GHBDMO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917615944 892319529 /nfs/dbraw/zinc/31/95/29/892319529.db2.gz XXAWOBSWWPNAEF-GFCCVEGCSA-N 1 1 379.258 3.812 20 5 GHBDMO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917615944 892319550 /nfs/dbraw/zinc/31/95/50/892319550.db2.gz XXAWOBSWWPNAEF-GFCCVEGCSA-N 1 1 379.258 3.812 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000026356646 892541951 /nfs/dbraw/zinc/54/19/51/892541951.db2.gz MOCUEZSRJZSYRU-QGZVFWFLSA-N 1 1 399.516 3.810 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc2[N+](=O)[O-])cc1 ZINC000192502928 892599236 /nfs/dbraw/zinc/59/92/36/892599236.db2.gz BUFBRYZXBWUKJR-CALCHBBNSA-N 1 1 397.500 3.688 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000194560092 893075845 /nfs/dbraw/zinc/07/58/45/893075845.db2.gz PULFSEMLTPNKAP-UHFFFAOYSA-N 1 1 381.476 3.887 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000815030935 893384328 /nfs/dbraw/zinc/38/43/28/893384328.db2.gz UYOZVRHCJWDWOD-UHFFFAOYSA-N 1 1 391.309 3.755 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498303388 893967211 /nfs/dbraw/zinc/96/72/11/893967211.db2.gz JQMATLIWUVNHGG-OAHLLOKOSA-N 1 1 384.480 3.773 20 5 GHBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459773949 894175514 /nfs/dbraw/zinc/17/55/14/894175514.db2.gz VOOYJTFONPMONU-LBPRGKRZSA-N 1 1 379.819 3.889 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)o1 ZINC000878441667 894293861 /nfs/dbraw/zinc/29/38/61/894293861.db2.gz HUHFMFWSHJIPCP-GFCCVEGCSA-N 1 1 386.358 3.913 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)o1 ZINC000878441667 894293873 /nfs/dbraw/zinc/29/38/73/894293873.db2.gz HUHFMFWSHJIPCP-GFCCVEGCSA-N 1 1 386.358 3.913 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CO)CC2)cc1OC ZINC000563901496 894308027 /nfs/dbraw/zinc/30/80/27/894308027.db2.gz FQCKCZQZXZLJAZ-HOTGVXAUSA-N 1 1 380.485 3.623 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000138464637 895201263 /nfs/dbraw/zinc/20/12/63/895201263.db2.gz RIVIBZKLBQNGGY-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000138464637 895201277 /nfs/dbraw/zinc/20/12/77/895201277.db2.gz RIVIBZKLBQNGGY-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000565140210 895418981 /nfs/dbraw/zinc/41/89/81/895418981.db2.gz FDMIYKUZVBQFSU-HXUWFJFHSA-N 1 1 381.476 3.556 20 5 GHBDMO Cn1cc([C@H]2C[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000565172549 895439015 /nfs/dbraw/zinc/43/90/15/895439015.db2.gz OUAOVHRAYPWXLS-OAHLLOKOSA-N 1 1 393.285 3.716 20 5 GHBDMO Cn1cc([C@H]2C[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000565172549 895439025 /nfs/dbraw/zinc/43/90/25/895439025.db2.gz OUAOVHRAYPWXLS-OAHLLOKOSA-N 1 1 393.285 3.716 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000567033332 896816202 /nfs/dbraw/zinc/81/62/02/896816202.db2.gz VSWBDXJSGMQDAO-ZWKOTPCHSA-N 1 1 380.448 3.581 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000282846445 898095710 /nfs/dbraw/zinc/09/57/10/898095710.db2.gz NHMLBAJXYAGIDK-HNNXBMFYSA-N 1 1 399.447 3.639 20 5 GHBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC001136586885 898376673 /nfs/dbraw/zinc/37/66/73/898376673.db2.gz BABOWJJWEAUGFS-UHFFFAOYSA-N 1 1 378.231 3.597 20 5 GHBDMO C[N@@H+](Cc1ccccc1CNC(=O)CCC(C)(C)[N+](=O)[O-])C1CCCCC1 ZINC000822696655 898571967 /nfs/dbraw/zinc/57/19/67/898571967.db2.gz APFSMZCPYJJXJZ-UHFFFAOYSA-N 1 1 375.513 3.903 20 5 GHBDMO C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778715549 898901725 /nfs/dbraw/zinc/90/17/25/898901725.db2.gz WUDIGGQKSWPOLW-MHWAAIMHSA-N 1 1 379.460 3.635 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000823605424 899129148 /nfs/dbraw/zinc/12/91/48/899129148.db2.gz KJVYIWGTJYEJFS-QGZVFWFLSA-N 1 1 379.254 3.697 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000331929356 899271163 /nfs/dbraw/zinc/27/11/63/899271163.db2.gz DEQHHKJMZJKPFW-CRAIPNDOSA-N 1 1 391.537 3.899 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000331929360 899271480 /nfs/dbraw/zinc/27/14/80/899271480.db2.gz DEQHHKJMZJKPFW-MAUKXSAKSA-N 1 1 391.537 3.899 20 5 GHBDMO CCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000823980011 899340782 /nfs/dbraw/zinc/34/07/82/899340782.db2.gz HJAJTQKZTVTASX-MAUKXSAKSA-N 1 1 397.479 3.866 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 ZINC001137021611 900099918 /nfs/dbraw/zinc/09/99/18/900099918.db2.gz VACFALSGNUNYAO-HXUWFJFHSA-N 1 1 382.464 3.546 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](O)C[C@@H]3c3ccc(F)cc3)o2)c1 ZINC000572383912 900163963 /nfs/dbraw/zinc/16/39/63/900163963.db2.gz SDCIRUSSMRQDNM-RTBURBONSA-N 1 1 397.406 3.739 20 5 GHBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000886297548 900921407 /nfs/dbraw/zinc/92/14/07/900921407.db2.gz UPDFFUSJLQBLBL-UHFFFAOYSA-N 1 1 385.468 3.875 20 5 GHBDMO C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](Cc2ccccc2)C1 ZINC000844656455 901115573 /nfs/dbraw/zinc/11/55/73/901115573.db2.gz IVXOAZYYMDWANU-OAHLLOKOSA-N 1 1 388.855 3.639 20 5 GHBDMO C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](Cc2ccccc2)C1 ZINC000844656455 901115582 /nfs/dbraw/zinc/11/55/82/901115582.db2.gz IVXOAZYYMDWANU-OAHLLOKOSA-N 1 1 388.855 3.639 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)CCC(=O)C1CC1 ZINC001144228212 901332963 /nfs/dbraw/zinc/33/29/63/901332963.db2.gz ODMAFLIUZZSRBC-UHFFFAOYSA-N 1 1 377.444 3.654 20 5 GHBDMO Cn1cc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093442322 901546839 /nfs/dbraw/zinc/54/68/39/901546839.db2.gz KCOYVLVCGPERHE-HXUWFJFHSA-N 1 1 380.448 3.551 20 5 GHBDMO C[C@H](C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000576366825 901975259 /nfs/dbraw/zinc/97/52/59/901975259.db2.gz GWICTRKOHJQDOF-AWEZNQCLSA-N 1 1 377.460 3.632 20 5 GHBDMO COc1cc(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000778947552 902068986 /nfs/dbraw/zinc/06/89/86/902068986.db2.gz WNJHMNDJWLVGHZ-LJQANCHMSA-N 1 1 376.428 3.934 20 5 GHBDMO COc1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000778948999 902118758 /nfs/dbraw/zinc/11/87/58/902118758.db2.gz VQXVJKHYMHKLPH-LJQANCHMSA-N 1 1 382.416 3.932 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000577026387 902443142 /nfs/dbraw/zinc/44/31/42/902443142.db2.gz XFLVXSZSYWHVSX-INIZCTEOSA-N 1 1 389.521 3.927 20 5 GHBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303331649 914670148 /nfs/dbraw/zinc/67/01/48/914670148.db2.gz BSIWTFVAKRNSKP-KRWDZBQOSA-N 1 1 393.365 3.851 20 5 GHBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303331649 914670153 /nfs/dbraw/zinc/67/01/53/914670153.db2.gz BSIWTFVAKRNSKP-KRWDZBQOSA-N 1 1 393.365 3.851 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000132563083 903276420 /nfs/dbraw/zinc/27/64/20/903276420.db2.gz KEWULKWJBOLGIA-SJKOYZFVSA-N 1 1 397.397 3.703 20 5 GHBDMO O=C(NC1CCCCC1)C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601107884 903339766 /nfs/dbraw/zinc/33/97/66/903339766.db2.gz CIEXVJIYJOQNTQ-UHFFFAOYSA-N 1 1 382.464 3.808 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000048322266 903343628 /nfs/dbraw/zinc/34/36/28/903343628.db2.gz QXSFGVWMRUYILX-UHFFFAOYSA-N 1 1 392.459 3.733 20 5 GHBDMO CC1CCN(C(=O)C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 ZINC000265290132 903779266 /nfs/dbraw/zinc/77/92/66/903779266.db2.gz AKGPENQMDADQSZ-UHFFFAOYSA-N 1 1 379.888 3.719 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CN(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000578580063 903978693 /nfs/dbraw/zinc/97/86/93/903978693.db2.gz RSMPDHYNVVAPDC-NRFANRHFSA-N 1 1 398.507 3.875 20 5 GHBDMO CC[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000578735707 904089692 /nfs/dbraw/zinc/08/96/92/904089692.db2.gz XYXRAQDMMDIUJE-SFHVURJKSA-N 1 1 389.883 3.818 20 5 GHBDMO Cn1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290905323 914864305 /nfs/dbraw/zinc/86/43/05/914864305.db2.gz MLLNAOUOZTVWJB-UYAOXDASSA-N 1 1 382.464 3.529 20 5 GHBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2)CC1 ZINC000175594475 905605921 /nfs/dbraw/zinc/60/59/21/905605921.db2.gz VMALPWWCSQPXRX-UHFFFAOYSA-N 1 1 388.855 3.642 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]31)CC2 ZINC001172906775 905933604 /nfs/dbraw/zinc/93/36/04/905933604.db2.gz IBPVOXYUSLXLCL-FVTFTPSCSA-N 1 1 386.492 3.501 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]31)CC2 ZINC001172906775 905933609 /nfs/dbraw/zinc/93/36/09/905933609.db2.gz IBPVOXYUSLXLCL-FVTFTPSCSA-N 1 1 386.492 3.501 20 5 GHBDMO CC(C)(C)OC(=O)O[C@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909512 906016822 /nfs/dbraw/zinc/01/68/22/906016822.db2.gz SGGJHZOJZHNNOW-AEFFLSMTSA-N 1 1 376.453 3.868 20 5 GHBDMO COC(C)(C)[C@@H]1CCC[N@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017843 906095349 /nfs/dbraw/zinc/09/53/49/906095349.db2.gz KBWQRKZZZCGTGQ-KRWDZBQOSA-N 1 1 383.439 3.731 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1F ZINC001173178317 906256747 /nfs/dbraw/zinc/25/67/47/906256747.db2.gz ARPAKNZIMURHLV-CKYFFXLPSA-N 1 1 382.329 3.753 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CC[N@H+](CC3CCCCC3)C2)c1F ZINC001173182484 906262599 /nfs/dbraw/zinc/26/25/99/906262599.db2.gz SYTOKKMMFAASPU-RDJZCZTQSA-N 1 1 393.503 3.918 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)c1F ZINC001173182484 906262613 /nfs/dbraw/zinc/26/26/13/906262613.db2.gz SYTOKKMMFAASPU-RDJZCZTQSA-N 1 1 393.503 3.918 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c1F ZINC001173192079 906275466 /nfs/dbraw/zinc/27/54/66/906275466.db2.gz HZYLEBOUPCUDLV-KGLIPLIRSA-N 1 1 396.459 3.870 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@H](Oc3ccncc3)C2)c1F ZINC001173193007 906278100 /nfs/dbraw/zinc/27/81/00/906278100.db2.gz NRSLHKRZKTUIHM-HOCLYGCPSA-N 1 1 389.427 3.612 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001173225966 906309557 /nfs/dbraw/zinc/30/95/57/906309557.db2.gz GTPGSTHFKVMLRY-WCQYABFASA-N 1 1 384.358 3.807 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001173228586 906312254 /nfs/dbraw/zinc/31/22/54/906312254.db2.gz RLNXHHATKNNULJ-CNDZOEFASA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001173228586 906312270 /nfs/dbraw/zinc/31/22/70/906312270.db2.gz RLNXHHATKNNULJ-CNDZOEFASA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001173228586 906312288 /nfs/dbraw/zinc/31/22/88/906312288.db2.gz RLNXHHATKNNULJ-CNDZOEFASA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001173233288 906317939 /nfs/dbraw/zinc/31/79/39/906317939.db2.gz HYVRMEQCYJCDSG-SJCJKPOMSA-N 1 1 378.270 3.578 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)co2)cc1 ZINC000180875636 906868347 /nfs/dbraw/zinc/86/83/47/906868347.db2.gz DLWGKVKHSJEYRD-HNNXBMFYSA-N 1 1 394.435 3.556 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nncn4C4CC4)C3)co2)cc1 ZINC000180875636 906868356 /nfs/dbraw/zinc/86/83/56/906868356.db2.gz DLWGKVKHSJEYRD-HNNXBMFYSA-N 1 1 394.435 3.556 20 5 GHBDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccncc1 ZINC000191902486 907309154 /nfs/dbraw/zinc/30/91/54/907309154.db2.gz HLSDAYMEDAYBOF-OAQYLSRUSA-N 1 1 395.415 3.818 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC001175580651 907644859 /nfs/dbraw/zinc/64/48/59/907644859.db2.gz XNAMCTXTOQZSFU-LSDHHAIUSA-N 1 1 381.498 3.878 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC001175580651 907644869 /nfs/dbraw/zinc/64/48/69/907644869.db2.gz XNAMCTXTOQZSFU-LSDHHAIUSA-N 1 1 381.498 3.878 20 5 GHBDMO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001175822830 907779413 /nfs/dbraw/zinc/77/94/13/907779413.db2.gz ZLPXMTWFKJPVTM-VXKWHMMOSA-N 1 1 383.492 3.615 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1OC ZINC001175882238 907788896 /nfs/dbraw/zinc/78/88/96/907788896.db2.gz FSIZVIWAKMXECE-RYQLBKOJSA-N 1 1 391.512 3.697 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001176932480 908306656 /nfs/dbraw/zinc/30/66/56/908306656.db2.gz LGZCRNZWMMLDKH-MRXNPFEDSA-N 1 1 375.469 3.834 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCN1CCN(Cc2ccccc2)CC1 ZINC001177222747 908472280 /nfs/dbraw/zinc/47/22/80/908472280.db2.gz ODBCOUALQZWWEC-UHFFFAOYSA-N 1 1 396.535 3.509 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000194677910 908960202 /nfs/dbraw/zinc/96/02/02/908960202.db2.gz FQHXEBSCJBRXED-YQQQUEKLSA-N 1 1 379.460 3.829 20 5 GHBDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795397974 910197036 /nfs/dbraw/zinc/19/70/36/910197036.db2.gz SSFJRYWYEQYMTL-ORAYPTAESA-N 1 1 393.846 3.631 20 5 GHBDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795397974 910197047 /nfs/dbraw/zinc/19/70/47/910197047.db2.gz SSFJRYWYEQYMTL-ORAYPTAESA-N 1 1 393.846 3.631 20 5 GHBDMO C[C@H](C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12)N1CCCC1 ZINC001180581675 910229270 /nfs/dbraw/zinc/22/92/70/910229270.db2.gz BJNXDADUZHIQPO-CQSZACIVSA-N 1 1 386.455 3.988 20 5 GHBDMO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269681595 910332789 /nfs/dbraw/zinc/33/27/89/910332789.db2.gz MEYDVCRKGKWYML-LRDDRELGSA-N 1 1 397.397 3.703 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000246559966 910375827 /nfs/dbraw/zinc/37/58/27/910375827.db2.gz AFUARAYGCCUCIW-QVDMIQRCSA-N 1 1 385.439 3.620 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000271208931 910819060 /nfs/dbraw/zinc/81/90/60/910819060.db2.gz TUOOYNYZTMZGGJ-SFHVURJKSA-N 1 1 389.477 3.946 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091772896 911270460 /nfs/dbraw/zinc/27/04/60/911270460.db2.gz ZDEAPEQLONVRSK-LJQANCHMSA-N 1 1 386.448 3.793 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283088347 911365994 /nfs/dbraw/zinc/36/59/94/911365994.db2.gz LBPRFIBFWQSVEV-OAHLLOKOSA-N 1 1 387.867 3.842 20 5 GHBDMO Cc1ccc2c(=O)c3cccc(CC(=O)NCC[C@@H]4CCC[N@@H+]4C)c3oc2c1C ZINC001182511510 911821661 /nfs/dbraw/zinc/82/16/61/911821661.db2.gz PCTOYTZXPMYXLQ-SFHVURJKSA-N 1 1 392.499 3.706 20 5 GHBDMO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@](C)(O)c1ccccc1 ZINC001182488742 911838742 /nfs/dbraw/zinc/83/87/42/911838742.db2.gz DPHNUJKKBWRUOC-OAHLLOKOSA-N 1 1 385.283 3.758 20 5 GHBDMO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@](C)(O)c1ccccc1 ZINC001182488742 911838752 /nfs/dbraw/zinc/83/87/52/911838752.db2.gz DPHNUJKKBWRUOC-OAHLLOKOSA-N 1 1 385.283 3.758 20 5 GHBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303705063 915062841 /nfs/dbraw/zinc/06/28/41/915062841.db2.gz BQELCYSPXPPANA-PBHICJAKSA-N 1 1 383.423 3.501 20 5 GHBDMO COCCCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000292911067 915900329 /nfs/dbraw/zinc/90/03/29/915900329.db2.gz WZLGJXOFNNDQQI-UHFFFAOYSA-N 1 1 376.375 3.631 20 5 GHBDMO Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000796420250 916856789 /nfs/dbraw/zinc/85/67/89/916856789.db2.gz RRGIKFSKDPMOBW-NRFANRHFSA-N 1 1 381.432 3.990 20 5 GHBDMO COc1cc(C[NH+]2CCC([C@H](O)c3ccccc3C)CC2)c([N+](=O)[O-])cc1F ZINC000796429465 917065010 /nfs/dbraw/zinc/06/50/10/917065010.db2.gz KYVFJKYCRYQXBT-NRFANRHFSA-N 1 1 388.439 3.997 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](c3ccccc3)C3CCOCC3)o2)cc1 ZINC000362256351 917168836 /nfs/dbraw/zinc/16/88/36/917168836.db2.gz LUFSQDRHVHPJDQ-HXUWFJFHSA-N 1 1 394.431 3.902 20 5 GHBDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC001191257738 917852880 /nfs/dbraw/zinc/85/28/80/917852880.db2.gz KPZHYZIANNDPMI-GJYPPUQNSA-N 1 1 388.464 3.963 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(C2CCCC2)CC1 ZINC001191350326 917920850 /nfs/dbraw/zinc/92/08/50/917920850.db2.gz JYCGDALAAMPTQP-AWEZNQCLSA-N 1 1 375.469 3.833 20 5 GHBDMO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000117864847 919573619 /nfs/dbraw/zinc/57/36/19/919573619.db2.gz XWEFJNOZEWMCCE-HXUWFJFHSA-N 1 1 392.463 3.714 20 5 GHBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000117864847 919573633 /nfs/dbraw/zinc/57/36/33/919573633.db2.gz XWEFJNOZEWMCCE-HXUWFJFHSA-N 1 1 392.463 3.714 20 5 GHBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000119130462 919605565 /nfs/dbraw/zinc/60/55/65/919605565.db2.gz VCNHVKGHQSMNGZ-HNNXBMFYSA-N 1 1 377.510 3.796 20 5 GHBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000369251875 923232462 /nfs/dbraw/zinc/23/24/62/923232462.db2.gz OWFOUWDNAJONJO-UHFFFAOYSA-N 1 1 386.455 3.664 20 5 GHBDMO CCNc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1[N+](=O)[O-] ZINC000409453142 924634468 /nfs/dbraw/zinc/63/44/68/924634468.db2.gz MMROHQJTUAVYLW-UHFFFAOYSA-N 1 1 397.410 3.590 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)n1 ZINC000373276654 925983751 /nfs/dbraw/zinc/98/37/51/925983751.db2.gz CTIWXURJKIZLGZ-UHFFFAOYSA-N 1 1 375.479 3.813 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000411294547 926280075 /nfs/dbraw/zinc/28/00/75/926280075.db2.gz IFDMOTJZAFAXFP-RDTXWAMCSA-N 1 1 387.436 3.998 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411595244 926539552 /nfs/dbraw/zinc/53/95/52/926539552.db2.gz XUZRDNUYPDWQRZ-DPDLHNOKSA-N 1 1 379.460 3.650 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000726599868 926754557 /nfs/dbraw/zinc/75/45/57/926754557.db2.gz GZMREAOZLRQENE-YOEHRIQHSA-N 1 1 393.484 3.871 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000726599868 926754560 /nfs/dbraw/zinc/75/45/60/926754560.db2.gz GZMREAOZLRQENE-YOEHRIQHSA-N 1 1 393.484 3.871 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000749831354 927303175 /nfs/dbraw/zinc/30/31/75/927303175.db2.gz PPIOLDHJZYOTLB-DNVCBOLYSA-N 1 1 384.505 3.792 20 5 GHBDMO Cc1c(C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000750283702 927533080 /nfs/dbraw/zinc/53/30/80/927533080.db2.gz LUBRVMNODPGDRB-INIZCTEOSA-N 1 1 377.485 3.982 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(CCCn3ccnc3)CC2)cccc1[N+](=O)[O-] ZINC000543988878 928651594 /nfs/dbraw/zinc/65/15/94/928651594.db2.gz KWDZYNUIIZKDLI-KRWDZBQOSA-N 1 1 399.495 3.619 20 5 GHBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)C1 ZINC000467212131 928831878 /nfs/dbraw/zinc/83/18/78/928831878.db2.gz TXLXHNSNDMSKKW-AWEZNQCLSA-N 1 1 387.411 3.707 20 5 GHBDMO C/C(=C/C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752476881 928839847 /nfs/dbraw/zinc/83/98/47/928839847.db2.gz DMNJPMQHGGJNTM-JIHAQRTOSA-N 1 1 379.460 3.731 20 5 GHBDMO O=C1N(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)CCN1c1ccccc1[N+](=O)[O-] ZINC000752787785 929022849 /nfs/dbraw/zinc/02/28/49/929022849.db2.gz ANWCEZMLSZXYIO-LJQANCHMSA-N 1 1 392.459 3.946 20 5 GHBDMO O=C1N(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CCN1c1ccccc1[N+](=O)[O-] ZINC000752787785 929022862 /nfs/dbraw/zinc/02/28/62/929022862.db2.gz ANWCEZMLSZXYIO-LJQANCHMSA-N 1 1 392.459 3.946 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+](CCc3ccccc3)[C@H]3CCOC3)c2)cc1 ZINC000753100355 929204535 /nfs/dbraw/zinc/20/45/35/929204535.db2.gz NXVSGCTUJXXXDQ-QFIPXVFZSA-N 1 1 392.459 3.749 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000753294170 929290631 /nfs/dbraw/zinc/29/06/31/929290631.db2.gz SPKAUFJKUUWNQY-RDJZCZTQSA-N 1 1 385.439 3.764 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467696736 929311713 /nfs/dbraw/zinc/31/17/13/929311713.db2.gz JOUHELFJYBWHNQ-WMLDXEAASA-N 1 1 385.489 3.710 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000467697825 929313365 /nfs/dbraw/zinc/31/33/65/929313365.db2.gz ZOPLJDMYHGCACL-RYRKJORJSA-N 1 1 399.516 3.855 20 5 GHBDMO CCc1ccc([C@@H]([NH2+][C@@H]2CCCN(C(=O)OC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753660157 929466911 /nfs/dbraw/zinc/46/69/11/929466911.db2.gz XYCDAGXLAXHFCW-BEFAXECRSA-N 1 1 387.436 3.660 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469451400 929905297 /nfs/dbraw/zinc/90/52/97/929905297.db2.gz AVCJBGXZXBCQMS-AWEZNQCLSA-N 1 1 389.402 4.000 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000546681968 930354699 /nfs/dbraw/zinc/35/46/99/930354699.db2.gz NBVHQQNGGLXZDP-IBGZPJMESA-N 1 1 395.463 3.812 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000470126548 930391577 /nfs/dbraw/zinc/39/15/77/930391577.db2.gz RGPPFFIDVHZVOQ-IAGOWNOFSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000470126548 930391580 /nfs/dbraw/zinc/39/15/80/930391580.db2.gz RGPPFFIDVHZVOQ-IAGOWNOFSA-N 1 1 392.818 3.954 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000470156769 930415735 /nfs/dbraw/zinc/41/57/35/930415735.db2.gz RMAAWOKHZBMDDL-CXAGYDPISA-N 1 1 388.395 3.910 20 5 GHBDMO CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546904650 930521186 /nfs/dbraw/zinc/52/11/86/930521186.db2.gz AMJBWQTZMVNYTP-KRWDZBQOSA-N 1 1 392.459 3.813 20 5 GHBDMO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780769042 930594601 /nfs/dbraw/zinc/59/46/01/930594601.db2.gz WNFWDVHPXSQFFW-JSNMRZPZSA-N 1 1 398.438 3.659 20 5 GHBDMO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781381778 930824323 /nfs/dbraw/zinc/82/43/23/930824323.db2.gz ODIMIWOTZUARRZ-KGLIPLIRSA-N 1 1 394.903 3.700 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470825481 930945714 /nfs/dbraw/zinc/94/57/14/930945714.db2.gz SJRXVMUSBCBCLK-QRTARXTBSA-N 1 1 378.473 3.657 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(F)cc1Cl ZINC000782496540 931242078 /nfs/dbraw/zinc/24/20/78/931242078.db2.gz QRICBQZIKAETHB-UHFFFAOYSA-N 1 1 383.782 3.987 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)c3c(F)c(C)cc([N+](=O)[O-])c3F)CC2)[nH+]c1C ZINC000924322363 931324085 /nfs/dbraw/zinc/32/40/85/931324085.db2.gz ZVNBBVKKBICRNM-UHFFFAOYSA-N 1 1 378.379 3.541 20 5 GHBDMO COc1ccc2c(c1)CC[N@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)CC2 ZINC000783979949 931739953 /nfs/dbraw/zinc/73/99/53/931739953.db2.gz HCTCBSWRYMIFRE-UHFFFAOYSA-N 1 1 378.432 3.525 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000784521522 931924048 /nfs/dbraw/zinc/92/40/48/931924048.db2.gz FFZLFZVMOLFSGC-NZSAHSFTSA-N 1 1 389.496 3.763 20 5 GHBDMO Cn1c[nH+]cc1CCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 ZINC000558364258 931962726 /nfs/dbraw/zinc/96/27/26/931962726.db2.gz ZSOUUOZXBSWEFW-UHFFFAOYSA-N 1 1 391.387 3.956 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000558772186 932225436 /nfs/dbraw/zinc/22/54/36/932225436.db2.gz HPKXGZIXPLOBSG-GOSISDBHSA-N 1 1 397.475 3.730 20 5 GHBDMO CCc1ccc([C@@H](NC[C@@H]2CC[N@H+]2C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000927105884 932414348 /nfs/dbraw/zinc/41/43/48/932414348.db2.gz VSTDLPRWFWAJRU-UGKGYDQZSA-N 1 1 399.491 3.683 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]C[C@@H]2CCN2C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000927105884 932414351 /nfs/dbraw/zinc/41/43/51/932414351.db2.gz VSTDLPRWFWAJRU-UGKGYDQZSA-N 1 1 399.491 3.683 20 5 GHBDMO C[C@@]1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000798401285 932631880 /nfs/dbraw/zinc/63/18/80/932631880.db2.gz YOYARNJSRJTQDC-NRFANRHFSA-N 1 1 393.447 3.568 20 5 GHBDMO CSc1cccc(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000798523607 932687129 /nfs/dbraw/zinc/68/71/29/932687129.db2.gz LGZGBDYSUMZZKV-NRFANRHFSA-N 1 1 399.516 3.959 20 5 GHBDMO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000559552834 932730964 /nfs/dbraw/zinc/73/09/64/932730964.db2.gz HHBNPQBMOKEVRI-IBGZPJMESA-N 1 1 395.503 3.553 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001116666933 933693909 /nfs/dbraw/zinc/69/39/09/933693909.db2.gz YVAYVUNDSXJSNR-NVXWUHKLSA-N 1 1 389.452 3.631 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001116666933 933693913 /nfs/dbraw/zinc/69/39/13/933693913.db2.gz YVAYVUNDSXJSNR-NVXWUHKLSA-N 1 1 389.452 3.631 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000829871965 935875952 /nfs/dbraw/zinc/87/59/52/935875952.db2.gz FUDLCCGWTLBKIM-ROUUACIJSA-N 1 1 386.839 3.995 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000829871965 935875956 /nfs/dbraw/zinc/87/59/56/935875956.db2.gz FUDLCCGWTLBKIM-ROUUACIJSA-N 1 1 386.839 3.995 20 5 GHBDMO O=C(N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001626235811 1014892171 /nfs/dbraw/zinc/89/21/71/1014892171.db2.gz XXVMIGRJVYXEFL-OAHLLOKOSA-N 1 1 386.427 3.792 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545166783 1015604884 /nfs/dbraw/zinc/60/48/84/1015604884.db2.gz PXCIWKLMXOKDMR-IYBDPMFKSA-N 1 1 393.503 3.886 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000468475213 1015736297 /nfs/dbraw/zinc/73/62/97/1015736297.db2.gz NNDPGRCMCAPZMV-KRWDZBQOSA-N 1 1 379.526 3.946 20 5 GHBDMO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000545832336 1016477244 /nfs/dbraw/zinc/47/72/44/1016477244.db2.gz JSPWOJGMNYFFHX-HNNXBMFYSA-N 1 1 399.466 3.575 20 5 GHBDMO C[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000470117956 1016727251 /nfs/dbraw/zinc/72/72/51/1016727251.db2.gz RQROJULGOOEVTB-OAHLLOKOSA-N 1 1 386.427 3.862 20 5 GHBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)c1 ZINC001155102959 1032415921 /nfs/dbraw/zinc/41/59/21/1032415921.db2.gz HKSCVQFLLSMHQC-GOSISDBHSA-N 1 1 395.850 3.611 20 5 GHBDMO Cc1ccc(C(=O)c2cc(O)c(O[C@@H]3CCC[N@H+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC001227699031 1032521431 /nfs/dbraw/zinc/52/14/31/1032521431.db2.gz CBHDJWIGDSPNEL-QGZVFWFLSA-N 1 1 384.432 3.703 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2ccnc(Cl)c2[N+](=O)[O-])O1 ZINC001228061465 1032758942 /nfs/dbraw/zinc/75/89/42/1032758942.db2.gz TYLMOGVATHESPR-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2ccnc(Cl)c2[N+](=O)[O-])O1 ZINC001228061465 1032758955 /nfs/dbraw/zinc/75/89/55/1032758955.db2.gz TYLMOGVATHESPR-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCc1nc(-c3cccs3)no1)CCO2 ZINC000567653427 1019326273 /nfs/dbraw/zinc/32/62/73/1019326273.db2.gz XSJWTBQVGLANQK-UHFFFAOYSA-N 1 1 386.433 3.534 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCc1nc(-c3cccs3)no1)CCO2 ZINC000567653427 1019326289 /nfs/dbraw/zinc/32/62/89/1019326289.db2.gz XSJWTBQVGLANQK-UHFFFAOYSA-N 1 1 386.433 3.534 20 5 GHBDMO Cc1ccnc([C@@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)c1 ZINC000571817435 1019713451 /nfs/dbraw/zinc/71/34/51/1019713451.db2.gz IAIREAFKRMBDAJ-QGZVFWFLSA-N 1 1 378.432 3.985 20 5 GHBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000577345041 1020172020 /nfs/dbraw/zinc/17/20/20/1020172020.db2.gz YQCVBKDRGGRDIO-KRWDZBQOSA-N 1 1 397.479 3.661 20 5 GHBDMO CCOc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)ccc1[N+](=O)[O-] ZINC001156315952 1032978181 /nfs/dbraw/zinc/97/81/81/1032978181.db2.gz DIAPLXRWWXHWPB-KZNAEPCWSA-N 1 1 382.464 3.711 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nc1 ZINC000748815911 1021722003 /nfs/dbraw/zinc/72/20/03/1021722003.db2.gz AKCFXHSWPSKYEH-AWEZNQCLSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nc1 ZINC000748815911 1021722017 /nfs/dbraw/zinc/72/20/17/1021722017.db2.gz AKCFXHSWPSKYEH-AWEZNQCLSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000836785144 1023364462 /nfs/dbraw/zinc/36/44/62/1023364462.db2.gz NFNAMTNXOYEEAH-INIZCTEOSA-N 1 1 387.867 3.809 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000831593530 1024669261 /nfs/dbraw/zinc/66/92/61/1024669261.db2.gz LRSZMFNGKQJQMD-CRAIPNDOSA-N 1 1 391.265 3.880 20 5 GHBDMO COCC[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832533932 1025662781 /nfs/dbraw/zinc/66/27/81/1025662781.db2.gz DAIGOXWMGJJFKH-SFHVURJKSA-N 1 1 382.819 3.569 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC001141633189 1025969032 /nfs/dbraw/zinc/96/90/32/1025969032.db2.gz NAINSUHSNHHZLR-OAHLLOKOSA-N 1 1 385.439 3.896 20 5 GHBDMO CC(C)Oc1nc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC001163113388 1026050414 /nfs/dbraw/zinc/05/04/14/1026050414.db2.gz YOUJKFZTHGISPD-AWEZNQCLSA-N 1 1 376.482 3.722 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N2CCn3cccc3[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC001163844521 1026337123 /nfs/dbraw/zinc/33/71/23/1026337123.db2.gz BKFMWJYEYDYQAJ-YUAYGMJFSA-N 1 1 389.459 3.933 20 5 GHBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001163941821 1026367894 /nfs/dbraw/zinc/36/78/94/1026367894.db2.gz AIRAXQGCWPUBCZ-AWEZNQCLSA-N 1 1 397.401 3.814 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cn21 ZINC001164493662 1026531568 /nfs/dbraw/zinc/53/15/68/1026531568.db2.gz VRCFUKUFSJVCRY-QXAKKESOSA-N 1 1 377.448 3.565 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC001461203194 1069440891 /nfs/dbraw/zinc/44/08/91/1069440891.db2.gz QJFLWYHXOMESNL-UHFFFAOYSA-N 1 1 393.237 3.693 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)c2c1 ZINC000840114380 1027221704 /nfs/dbraw/zinc/22/17/04/1027221704.db2.gz HOSQEFOGJPHLKR-FMKPAKJESA-N 1 1 377.466 3.845 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)c2)c1 ZINC000840130962 1027258761 /nfs/dbraw/zinc/25/87/61/1027258761.db2.gz WEECBAPTIUSEGE-UXHICEINSA-N 1 1 382.464 3.697 20 5 GHBDMO C[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC001461325528 1069501038 /nfs/dbraw/zinc/50/10/38/1069501038.db2.gz WLWSFFRNTYIQBO-PBHICJAKSA-N 1 1 391.418 3.949 20 5 GHBDMO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CN1Cc1ccccc1 ZINC001461325528 1069501041 /nfs/dbraw/zinc/50/10/41/1069501041.db2.gz WLWSFFRNTYIQBO-PBHICJAKSA-N 1 1 391.418 3.949 20 5 GHBDMO CC(C)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001461432718 1069546901 /nfs/dbraw/zinc/54/69/01/1069546901.db2.gz RVGILWJEHRIAPD-HXUWFJFHSA-N 1 1 383.492 3.575 20 5 GHBDMO CC(C)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001461432718 1069546905 /nfs/dbraw/zinc/54/69/05/1069546905.db2.gz RVGILWJEHRIAPD-HXUWFJFHSA-N 1 1 383.492 3.575 20 5 GHBDMO C[N@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841688432 1028835271 /nfs/dbraw/zinc/83/52/71/1028835271.db2.gz HIZGUFUCTKVDEM-IEBWSBKVSA-N 1 1 384.480 3.923 20 5 GHBDMO C[N@@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841688432 1028835298 /nfs/dbraw/zinc/83/52/98/1028835298.db2.gz HIZGUFUCTKVDEM-IEBWSBKVSA-N 1 1 384.480 3.923 20 5 GHBDMO COc1ccc(C[NH2+]Cc2ccc(Br)cc2OC)cc1[N+](=O)[O-] ZINC001461453473 1069556767 /nfs/dbraw/zinc/55/67/67/1069556767.db2.gz OPYWHAZRRGMQDR-UHFFFAOYSA-N 1 1 381.226 3.664 20 5 GHBDMO Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC001215320447 1029150760 /nfs/dbraw/zinc/15/07/60/1029150760.db2.gz XTZJNOWWAWUFMB-UHFFFAOYSA-N 1 1 389.371 3.700 20 5 GHBDMO Cc1ccc(C(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC001150125659 1030411105 /nfs/dbraw/zinc/41/11/05/1030411105.db2.gz ANEBKVRRCKXXSF-ZRZAMGCNSA-N 1 1 393.487 3.887 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4CCC[NH2+]C[C@H]4F)ccc3c21 ZINC001217950170 1030682145 /nfs/dbraw/zinc/68/21/45/1030682145.db2.gz XYPKQJQSUDZEKG-HZPDHXFCSA-N 1 1 383.375 3.867 20 5 GHBDMO COC(=O)c1cccc(CO[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001223664187 1030694481 /nfs/dbraw/zinc/69/44/81/1030694481.db2.gz GHJUDEUFYNLJDA-SFHVURJKSA-N 1 1 384.432 3.563 20 5 GHBDMO COC(=O)c1cccc(CO[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001223665529 1030696275 /nfs/dbraw/zinc/69/62/75/1030696275.db2.gz SZFMPTYXDKNQSH-OXQOHEQNSA-N 1 1 398.459 3.809 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4CSC5(C[NH2+]C5)C4)ccc3c21 ZINC001218101276 1030772071 /nfs/dbraw/zinc/77/20/71/1030772071.db2.gz GAYIDZZGLMOBLL-ZDUSSCGKSA-N 1 1 395.436 3.624 20 5 GHBDMO CCOc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC001219317590 1031354558 /nfs/dbraw/zinc/35/45/58/1031354558.db2.gz GSVLSYGTWNIMAM-MAUKXSAKSA-N 1 1 398.463 3.778 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001225449634 1031420751 /nfs/dbraw/zinc/42/07/51/1031420751.db2.gz XFWZXIDXTYNCOC-QRWLVFNGSA-N 1 1 384.432 3.671 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc3oc4ccccc4c(=O)c3c2)[C@@H](C)C1 ZINC001153427377 1031585645 /nfs/dbraw/zinc/58/56/45/1031585645.db2.gz AOQFCFAGCUVEJT-HNAYVOBHSA-N 1 1 378.472 3.795 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001225894192 1031680000 /nfs/dbraw/zinc/68/00/00/1031680000.db2.gz FLXSLHCOODTZTJ-CYBMUJFWSA-N 1 1 395.774 3.949 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001225894192 1031680018 /nfs/dbraw/zinc/68/00/18/1031680018.db2.gz FLXSLHCOODTZTJ-CYBMUJFWSA-N 1 1 395.774 3.949 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001153719228 1031721289 /nfs/dbraw/zinc/72/12/89/1031721289.db2.gz OKTFORYSKABYHV-IBGZPJMESA-N 1 1 399.466 3.790 20 5 GHBDMO OCC[NH+]1CCN(c2cc(Nc3ccc4cc5ccccc5cc4c3)ncn2)CC1 ZINC001205261229 1033330400 /nfs/dbraw/zinc/33/04/00/1033330400.db2.gz GPIKTPWYKRLQSF-UHFFFAOYSA-N 1 1 399.498 3.641 20 5 GHBDMO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001229233020 1033356521 /nfs/dbraw/zinc/35/65/21/1033356521.db2.gz PTKCXUKZEQDHRW-ZDUSSCGKSA-N 1 1 385.258 3.812 20 5 GHBDMO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001229235689 1033357795 /nfs/dbraw/zinc/35/77/95/1033357795.db2.gz YALPQVMGHMZNJX-ATCWAGBWSA-N 1 1 397.269 3.669 20 5 GHBDMO C[C@H](Oc1cc([N+](=O)[O-])cc2cccnc21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229342501 1033426027 /nfs/dbraw/zinc/42/60/27/1033426027.db2.gz AFADQQVXEOVPBD-KKSFZXQISA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@H](Oc1cc([N+](=O)[O-])cc2cccnc21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229342501 1033426030 /nfs/dbraw/zinc/42/60/30/1033426030.db2.gz AFADQQVXEOVPBD-KKSFZXQISA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229366746 1033441030 /nfs/dbraw/zinc/44/10/30/1033441030.db2.gz CYNDAFCBHHIFKZ-KSSFIOAISA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001205641379 1033507187 /nfs/dbraw/zinc/50/71/87/1033507187.db2.gz GHAIEONLRGWTSM-PBHICJAKSA-N 1 1 386.427 3.909 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001206034505 1033697269 /nfs/dbraw/zinc/69/72/69/1033697269.db2.gz NNPNKQIIVDKDKD-MAUKXSAKSA-N 1 1 382.464 3.942 20 5 GHBDMO C[NH+]1CCC2(CC[C@H](COc3ccc4c(c3)oc(=O)c3cc(O)ccc43)O2)CC1 ZINC001229792615 1033719293 /nfs/dbraw/zinc/71/92/93/1033719293.db2.gz UUQSDXMVMHAXCA-QGZVFWFLSA-N 1 1 395.455 3.674 20 5 GHBDMO O=c1oc2cc(O[C@H]3CC[C@@H]([NH+]4CCOCC4)CC3)ccc2c2ccc(O)cc12 ZINC001229797452 1033723064 /nfs/dbraw/zinc/72/30/64/1033723064.db2.gz BUDDERBHJCDEPW-WOVMCDHWSA-N 1 1 395.455 3.674 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001229959821 1033818557 /nfs/dbraw/zinc/81/85/57/1033818557.db2.gz GRUXQGRNIKUFLV-CVEARBPZSA-N 1 1 399.447 3.689 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001230495012 1034090998 /nfs/dbraw/zinc/09/09/98/1034090998.db2.gz XWERPZDJZDRWQW-HUUCEWRRSA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001230495012 1034091010 /nfs/dbraw/zinc/09/10/10/1034091010.db2.gz XWERPZDJZDRWQW-HUUCEWRRSA-N 1 1 386.408 3.811 20 5 GHBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(Br)cc3c(c1[N+](=O)[O-])CCC3)C2 ZINC001230494364 1034091119 /nfs/dbraw/zinc/09/11/19/1034091119.db2.gz RFYQDNLVRDXUPW-ITGUQSILSA-N 1 1 381.270 3.850 20 5 GHBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001160701961 1035039483 /nfs/dbraw/zinc/03/94/83/1035039483.db2.gz DNVJYSMUOMDLAU-NSHDSACASA-N 1 1 386.290 3.516 20 5 GHBDMO COc1ccc(F)cc1C[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001161151699 1035159556 /nfs/dbraw/zinc/15/95/56/1035159556.db2.gz BTUIQAJANRQFLC-UHFFFAOYSA-N 1 1 394.834 3.867 20 5 GHBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC001248334848 1035761347 /nfs/dbraw/zinc/76/13/47/1035761347.db2.gz QXINOMNHTSGMJF-OAHLLOKOSA-N 1 1 383.383 3.906 20 5 GHBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC001248334848 1035761363 /nfs/dbraw/zinc/76/13/63/1035761363.db2.gz QXINOMNHTSGMJF-OAHLLOKOSA-N 1 1 383.383 3.906 20 5 GHBDMO Cc1cc(F)cc(CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)c1 ZINC001246952012 1037756794 /nfs/dbraw/zinc/75/67/94/1037756794.db2.gz QJFTWLRERMISGJ-JOCHJYFZSA-N 1 1 383.467 3.764 20 5 GHBDMO [NH3+][C@@H](Cc1ccc2ccccc2c1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247672938 1038308340 /nfs/dbraw/zinc/30/83/40/1038308340.db2.gz UTZPJNAOIDPXOY-HNNXBMFYSA-N 1 1 379.351 3.575 20 5 GHBDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001462362813 1070201608 /nfs/dbraw/zinc/20/16/08/1070201608.db2.gz SBCLKDTXNNAHMG-UHFFFAOYSA-N 1 1 380.828 3.996 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC001233707363 1039556058 /nfs/dbraw/zinc/55/60/58/1039556058.db2.gz JUZLDBSBRNXJNC-CQSZACIVSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC001233707363 1039556075 /nfs/dbraw/zinc/55/60/75/1039556075.db2.gz JUZLDBSBRNXJNC-CQSZACIVSA-N 1 1 377.784 3.810 20 5 GHBDMO COc1cccc(-c2nnc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])o2)c1 ZINC001253350376 1039562760 /nfs/dbraw/zinc/56/27/60/1039562760.db2.gz ORULNPMLLLYFKH-UHFFFAOYSA-N 1 1 377.360 3.815 20 5 GHBDMO Cc1ccc(CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001254242235 1040093521 /nfs/dbraw/zinc/09/35/21/1040093521.db2.gz WTUNUNGXTLDBCR-FQEVSTJZSA-N 1 1 396.491 3.709 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC(n3ccc(C[NH2+]Cc4ccccc4)n3)CC2)cc1 ZINC001254483867 1040271273 /nfs/dbraw/zinc/27/12/73/1040271273.db2.gz YGTHVFYUMNTKPL-UHFFFAOYSA-N 1 1 391.475 3.923 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 ZINC001254549902 1040317226 /nfs/dbraw/zinc/31/72/26/1040317226.db2.gz ADXOTNPQMMPESQ-YWZLYKJASA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001254550460 1040318413 /nfs/dbraw/zinc/31/84/13/1040318413.db2.gz KBEINSJVCPAQEP-RHSMWYFYSA-N 1 1 375.469 3.515 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001254551741 1040318766 /nfs/dbraw/zinc/31/87/66/1040318766.db2.gz FAPCLESHSQBNHC-HZPDHXFCSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001254559832 1040331982 /nfs/dbraw/zinc/33/19/82/1040331982.db2.gz NLCPTNNHYXVHAD-RDJZCZTQSA-N 1 1 377.485 3.905 20 5 GHBDMO Cc1ccc(C[N@H+]2C[C@H]3CN([C@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3C2)cc1 ZINC001254563401 1040337238 /nfs/dbraw/zinc/33/72/38/1040337238.db2.gz ZWJPSXGFMQNRNC-QIJUGHKUSA-N 1 1 379.504 3.898 20 5 GHBDMO Cc1ccc(CN2C[C@@H]3C[N@H+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cc1 ZINC001254563401 1040337305 /nfs/dbraw/zinc/33/73/05/1040337305.db2.gz ZWJPSXGFMQNRNC-QIJUGHKUSA-N 1 1 379.504 3.898 20 5 GHBDMO Cc1ccc(CN2C[C@@H]3C[N@@H+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cc1 ZINC001254563401 1040337321 /nfs/dbraw/zinc/33/73/21/1040337321.db2.gz ZWJPSXGFMQNRNC-QIJUGHKUSA-N 1 1 379.504 3.898 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@]3(CCC[N@H+]3Cc3ccccc3)C1)C2 ZINC001254607303 1040377921 /nfs/dbraw/zinc/37/79/21/1040377921.db2.gz LECZITLKLLCEFK-DHIUTWEWSA-N 1 1 377.488 3.803 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@]3(CCCN3Cc3ccccc3)C1)C2 ZINC001254607303 1040377939 /nfs/dbraw/zinc/37/79/39/1040377939.db2.gz LECZITLKLLCEFK-DHIUTWEWSA-N 1 1 377.488 3.803 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@]3(CCCN3Cc3ccccc3)C1)C2 ZINC001254607303 1040377955 /nfs/dbraw/zinc/37/79/55/1040377955.db2.gz LECZITLKLLCEFK-DHIUTWEWSA-N 1 1 377.488 3.803 20 5 GHBDMO CCOC(=O)CCC[N@@H+](Cc1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611054 1040384168 /nfs/dbraw/zinc/38/41/68/1040384168.db2.gz TWJGKLTVUNGXDH-OAQYLSRUSA-N 1 1 382.460 3.908 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C)CCc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC001256099121 1041527154 /nfs/dbraw/zinc/52/71/54/1041527154.db2.gz JHLDHYFYXZBQHU-UHFFFAOYSA-N 1 1 387.455 3.886 20 5 GHBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001258125809 1044413020 /nfs/dbraw/zinc/41/30/20/1044413020.db2.gz ZRGWWVTYEPRRRF-UGSOOPFHSA-N 1 1 378.835 3.618 20 5 GHBDMO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001296086987 1045250870 /nfs/dbraw/zinc/25/08/70/1045250870.db2.gz DJKRYEFVHJHKSW-LJQANCHMSA-N 1 1 398.511 3.716 20 5 GHBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)c1ccc([S@](C)=O)cc1 ZINC001262239424 1046217123 /nfs/dbraw/zinc/21/71/23/1046217123.db2.gz YVBUPYRIHJKKOT-RULNZOCKSA-N 1 1 397.294 3.946 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]Cc2cnc3n2CCOC3)o1 ZINC001262377815 1046254804 /nfs/dbraw/zinc/25/48/04/1046254804.db2.gz IKFGLZFSHPTYNP-UHFFFAOYSA-N 1 1 388.811 3.525 20 5 GHBDMO Cc1c(C(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC001301868697 1046736943 /nfs/dbraw/zinc/73/69/43/1046736943.db2.gz RCWSOTQBBGJYHJ-ZRZAMGCNSA-N 1 1 393.487 3.887 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001302280462 1046899059 /nfs/dbraw/zinc/89/90/59/1046899059.db2.gz DQHSWDNCVBXLRN-NVXWUHKLSA-N 1 1 392.459 3.574 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001266224315 1047718649 /nfs/dbraw/zinc/71/86/49/1047718649.db2.gz FRULBDLOFIMNQR-IRXDYDNUSA-N 1 1 397.475 3.729 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001266224315 1047718652 /nfs/dbraw/zinc/71/86/52/1047718652.db2.gz FRULBDLOFIMNQR-IRXDYDNUSA-N 1 1 397.475 3.729 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001266224313 1047718839 /nfs/dbraw/zinc/71/88/39/1047718839.db2.gz FRULBDLOFIMNQR-DLBZAZTESA-N 1 1 397.475 3.729 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001266224313 1047718842 /nfs/dbraw/zinc/71/88/42/1047718842.db2.gz FRULBDLOFIMNQR-DLBZAZTESA-N 1 1 397.475 3.729 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC001306928415 1048963827 /nfs/dbraw/zinc/96/38/27/1048963827.db2.gz RWRQYXIDAWHWPR-UHFFFAOYSA-N 1 1 380.492 3.889 20 5 GHBDMO C[C@@H]1C[C@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001306972929 1048986281 /nfs/dbraw/zinc/98/62/81/1048986281.db2.gz XJEPUUDPFMLZGZ-NVXWUHKLSA-N 1 1 379.464 3.960 20 5 GHBDMO C[N@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC001307115718 1049084583 /nfs/dbraw/zinc/08/45/83/1049084583.db2.gz VASUTXOLTJECHI-INIZCTEOSA-N 1 1 379.382 3.977 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001307464401 1049301626 /nfs/dbraw/zinc/30/16/26/1049301626.db2.gz GZYAAKMDZUIKLJ-JOCHJYFZSA-N 1 1 379.460 3.538 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001307464401 1049301638 /nfs/dbraw/zinc/30/16/38/1049301638.db2.gz GZYAAKMDZUIKLJ-JOCHJYFZSA-N 1 1 379.460 3.538 20 5 GHBDMO CCOc1cc(CN2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC001307466126 1049304126 /nfs/dbraw/zinc/30/41/26/1049304126.db2.gz ZVNYVNFEIVKAOZ-KRWDZBQOSA-N 1 1 399.491 3.881 20 5 GHBDMO O=C(C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001307481439 1049321307 /nfs/dbraw/zinc/32/13/07/1049321307.db2.gz XTNYACOQPCDBRN-AWEZNQCLSA-N 1 1 391.830 3.890 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001307481439 1049321316 /nfs/dbraw/zinc/32/13/16/1049321316.db2.gz XTNYACOQPCDBRN-AWEZNQCLSA-N 1 1 391.830 3.890 20 5 GHBDMO COC(=O)/C=C\c1ccc(OCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001307647419 1049473605 /nfs/dbraw/zinc/47/36/05/1049473605.db2.gz BZQBJFSRXUSECA-MLPAPPSSSA-N 1 1 396.443 3.824 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001307819469 1049614562 /nfs/dbraw/zinc/61/45/62/1049614562.db2.gz VKXJAEXSYOCTFF-DZGCQCFKSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001307819469 1049614565 /nfs/dbraw/zinc/61/45/65/1049614565.db2.gz VKXJAEXSYOCTFF-DZGCQCFKSA-N 1 1 381.448 3.717 20 5 GHBDMO CC(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001307870343 1049652769 /nfs/dbraw/zinc/65/27/69/1049652769.db2.gz MUOUZGRXBOBBPU-VXKWHMMOSA-N 1 1 383.492 3.613 20 5 GHBDMO CC(C)N(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307870343 1049652771 /nfs/dbraw/zinc/65/27/71/1049652771.db2.gz MUOUZGRXBOBBPU-VXKWHMMOSA-N 1 1 383.492 3.613 20 5 GHBDMO CC(C)N(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307870343 1049652776 /nfs/dbraw/zinc/65/27/76/1049652776.db2.gz MUOUZGRXBOBBPU-VXKWHMMOSA-N 1 1 383.492 3.613 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001308022783 1049773635 /nfs/dbraw/zinc/77/36/35/1049773635.db2.gz RXCRLZLUWNQZEY-DOTOQJQBSA-N 1 1 375.469 3.816 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC001327716164 1050260458 /nfs/dbraw/zinc/26/04/58/1050260458.db2.gz HZVHWIBGXFFFKF-CQSZACIVSA-N 1 1 381.392 3.759 20 5 GHBDMO C[C@H]1CC[N@@H+](CCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001310301192 1051278385 /nfs/dbraw/zinc/27/83/85/1051278385.db2.gz KELVNTPATAUHQE-HNNXBMFYSA-N 1 1 384.436 3.850 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001310529287 1051422042 /nfs/dbraw/zinc/42/20/42/1051422042.db2.gz PPJURSBBKIOGQG-SFHVURJKSA-N 1 1 382.464 3.998 20 5 GHBDMO Cc1c(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311258600 1051973201 /nfs/dbraw/zinc/97/32/01/1051973201.db2.gz NFUYZGSYXJZDHR-JTQLQIEISA-N 1 1 376.379 3.772 20 5 GHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC=C(C)C1)C(C)C ZINC001313805568 1053238626 /nfs/dbraw/zinc/23/86/26/1053238626.db2.gz LDRKXZFPYISMOT-UHFFFAOYSA-N 1 1 398.511 3.740 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001343931669 1054126555 /nfs/dbraw/zinc/12/65/55/1054126555.db2.gz LBLUPNQRBVOSSG-PKOBYXMFSA-N 1 1 385.439 3.573 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001343931669 1054126570 /nfs/dbraw/zinc/12/65/70/1054126570.db2.gz LBLUPNQRBVOSSG-PKOBYXMFSA-N 1 1 385.439 3.573 20 5 GHBDMO Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[nH+]1 ZINC001345067270 1054882134 /nfs/dbraw/zinc/88/21/34/1054882134.db2.gz WXASMZBDPQCGAP-QGZVFWFLSA-N 1 1 398.463 3.802 20 5 GHBDMO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC001319374383 1055210448 /nfs/dbraw/zinc/21/04/48/1055210448.db2.gz FNNUMNBDAPDGJI-UHFFFAOYSA-N 1 1 388.449 3.596 20 5 GHBDMO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC001319374383 1055210456 /nfs/dbraw/zinc/21/04/56/1055210456.db2.gz FNNUMNBDAPDGJI-UHFFFAOYSA-N 1 1 388.449 3.596 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001319486032 1055279736 /nfs/dbraw/zinc/27/97/36/1055279736.db2.gz PYHQNWWQZLVKDJ-MAUKXSAKSA-N 1 1 389.452 3.631 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001319486032 1055279749 /nfs/dbraw/zinc/27/97/49/1055279749.db2.gz PYHQNWWQZLVKDJ-MAUKXSAKSA-N 1 1 389.452 3.631 20 5 GHBDMO COc1ccccc1C1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC001319813052 1055482522 /nfs/dbraw/zinc/48/25/22/1055482522.db2.gz QKAXXLHSGYYEJE-UHFFFAOYSA-N 1 1 389.839 3.864 20 5 GHBDMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001321651283 1056351993 /nfs/dbraw/zinc/35/19/93/1056351993.db2.gz VUVGIYMXOWXSJK-UHFFFAOYSA-N 1 1 397.410 3.848 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c(Br)c1 ZINC001322617400 1056771738 /nfs/dbraw/zinc/77/17/38/1056771738.db2.gz ZHHAABJSKYLAOR-GOSISDBHSA-N 1 1 391.265 3.671 20 5 GHBDMO C[N@H+](C[C@@H]1OCCc2ccccc21)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476835 1057114551 /nfs/dbraw/zinc/11/45/51/1057114551.db2.gz IOEWEBYCINQUDH-NRFANRHFSA-N 1 1 378.432 3.662 20 5 GHBDMO C[N@@H+](C[C@@H]1OCCc2ccccc21)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476835 1057114556 /nfs/dbraw/zinc/11/45/56/1057114556.db2.gz IOEWEBYCINQUDH-NRFANRHFSA-N 1 1 378.432 3.662 20 5 GHBDMO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848487948 1057122913 /nfs/dbraw/zinc/12/29/13/1057122913.db2.gz BIUDOHRLCRVDBF-YWZLYKJASA-N 1 1 385.439 3.570 20 5 GHBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848487948 1057122918 /nfs/dbraw/zinc/12/29/18/1057122918.db2.gz BIUDOHRLCRVDBF-YWZLYKJASA-N 1 1 385.439 3.570 20 5 GHBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000848488104 1057123039 /nfs/dbraw/zinc/12/30/39/1057123039.db2.gz GFZHHHMLZLWHQG-XJKSGUPXSA-N 1 1 385.386 3.533 20 5 GHBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000848488104 1057123042 /nfs/dbraw/zinc/12/30/42/1057123042.db2.gz GFZHHHMLZLWHQG-XJKSGUPXSA-N 1 1 385.386 3.533 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1F ZINC001442017355 1058903908 /nfs/dbraw/zinc/90/39/08/1058903908.db2.gz JSYJASYVOYFMBO-UHFFFAOYSA-N 1 1 395.450 3.910 20 5 GHBDMO C[N@H+](CCO)Cc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1Cl ZINC001448230481 1060138915 /nfs/dbraw/zinc/13/89/15/1060138915.db2.gz UNJYBVZRXTWTQQ-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO C[N@@H+](CCO)Cc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1Cl ZINC001448230481 1060138931 /nfs/dbraw/zinc/13/89/31/1060138931.db2.gz UNJYBVZRXTWTQQ-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC001454492712 1061804451 /nfs/dbraw/zinc/80/44/51/1061804451.db2.gz GTAUVUYHULGWHJ-OAHLLOKOSA-N 1 1 378.432 3.595 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001454885980 1061951189 /nfs/dbraw/zinc/95/11/89/1061951189.db2.gz XFHYLCGXFZYHPR-GOSISDBHSA-N 1 1 397.479 3.512 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001545873516 1062055516 /nfs/dbraw/zinc/05/55/16/1062055516.db2.gz RHDVOANAQUQYKY-CABCVRRESA-N 1 1 379.526 3.898 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001545873516 1062055543 /nfs/dbraw/zinc/05/55/43/1062055543.db2.gz RHDVOANAQUQYKY-CABCVRRESA-N 1 1 379.526 3.898 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001435195241 1062376349 /nfs/dbraw/zinc/37/63/49/1062376349.db2.gz ONLIUTXIGKBHGQ-RBBKRZOGSA-N 1 1 395.503 3.944 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC001347484216 1062420379 /nfs/dbraw/zinc/42/03/79/1062420379.db2.gz OQRSRIMOASYVNQ-HOTGVXAUSA-N 1 1 390.484 3.722 20 5 GHBDMO CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457538551 1063232265 /nfs/dbraw/zinc/23/22/65/1063232265.db2.gz PFBXLUBJNWULTD-IBGZPJMESA-N 1 1 395.503 3.995 20 5 GHBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001457989724 1063489079 /nfs/dbraw/zinc/48/90/79/1063489079.db2.gz BVFCDLARUVOQOP-MSOLQXFVSA-N 1 1 395.503 3.994 20 5 GHBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001457989724 1063489095 /nfs/dbraw/zinc/48/90/95/1063489095.db2.gz BVFCDLARUVOQOP-MSOLQXFVSA-N 1 1 395.503 3.994 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])C1CC1 ZINC001458337912 1063753640 /nfs/dbraw/zinc/75/36/40/1063753640.db2.gz AXJDGKLMVGVMDM-HXUWFJFHSA-N 1 1 376.460 3.887 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001458473179 1063833031 /nfs/dbraw/zinc/83/30/31/1063833031.db2.gz IQPKKCNEEUQXSD-IBGZPJMESA-N 1 1 380.492 3.622 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001458513174 1063859263 /nfs/dbraw/zinc/85/92/63/1063859263.db2.gz INYPJYYWJMFRAX-ZDUSSCGKSA-N 1 1 381.860 3.569 20 5 GHBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3ccccc3Br)CC2)c1 ZINC001459307787 1064055637 /nfs/dbraw/zinc/05/56/37/1064055637.db2.gz AWUIJTBUSDDTEU-UHFFFAOYSA-N 1 1 390.281 3.722 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001459315593 1064059691 /nfs/dbraw/zinc/05/96/91/1064059691.db2.gz QDHROOXVEONDKU-PBAKHKOTSA-N 1 1 379.460 3.635 20 5 GHBDMO CCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC001459359716 1064074330 /nfs/dbraw/zinc/07/43/30/1064074330.db2.gz ZBWSVLVREQYXAU-UXHICEINSA-N 1 1 384.476 3.604 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001464198303 1064903428 /nfs/dbraw/zinc/90/34/28/1064903428.db2.gz HUTPTJAFIKUHDG-UHFFFAOYSA-N 1 1 387.455 3.823 20 5 GHBDMO C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001465485837 1065656472 /nfs/dbraw/zinc/65/64/72/1065656472.db2.gz ARWUKLHRZLJFTH-YHYVQYDKSA-N 1 1 393.487 3.821 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001465915923 1065920532 /nfs/dbraw/zinc/92/05/32/1065920532.db2.gz OIFGADPVGHAGLJ-GDBMZVCRSA-N 1 1 385.489 3.710 20 5 GHBDMO CCOc1cc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001466987984 1066430478 /nfs/dbraw/zinc/43/04/78/1066430478.db2.gz CGKAEGAZCXMSLZ-CRAIPNDOSA-N 1 1 398.463 3.778 20 5 GHBDMO CCCCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC001473259318 1067064353 /nfs/dbraw/zinc/06/43/53/1067064353.db2.gz GXEIMZFGTJGVQW-ROUUACIJSA-N 1 1 395.475 3.978 20 5 GHBDMO Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001467526452 1067343153 /nfs/dbraw/zinc/34/31/53/1067343153.db2.gz GAAUIXMNCCSQSI-GOSISDBHSA-N 1 1 382.464 3.937 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1Cl ZINC001360412249 1068490432 /nfs/dbraw/zinc/49/04/32/1068490432.db2.gz OQDQFUFNDMCZDE-INIZCTEOSA-N 1 1 387.867 3.951 20 5 GHBDMO C[C@H](CCNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001478110007 1078723070 /nfs/dbraw/zinc/72/30/70/1078723070.db2.gz BGNWMRHCHCKAFW-QZTJIDSGSA-N 1 1 398.507 3.908 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001361047565 1068751270 /nfs/dbraw/zinc/75/12/70/1068751270.db2.gz FQKZJTGJHMDRQN-DNVCBOLYSA-N 1 1 399.516 3.957 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001460253604 1068886703 /nfs/dbraw/zinc/88/67/03/1068886703.db2.gz BRGCVROPCSHEJP-MRXNPFEDSA-N 1 1 378.469 3.808 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001460764464 1069164189 /nfs/dbraw/zinc/16/41/89/1069164189.db2.gz VZLCXYVMAWDSHQ-SFHVURJKSA-N 1 1 389.496 3.782 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001460847435 1069216379 /nfs/dbraw/zinc/21/63/79/1069216379.db2.gz UBOZELNURYRNAW-QGZVFWFLSA-N 1 1 393.484 3.823 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001460847435 1069216394 /nfs/dbraw/zinc/21/63/94/1069216394.db2.gz UBOZELNURYRNAW-QGZVFWFLSA-N 1 1 393.484 3.823 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001470781943 1072737957 /nfs/dbraw/zinc/73/79/57/1072737957.db2.gz YHJYZTODPCRMJP-DNVCBOLYSA-N 1 1 381.476 3.852 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC001472764742 1073655301 /nfs/dbraw/zinc/65/53/01/1073655301.db2.gz QSNMNZGZKDWUMG-FQEVSTJZSA-N 1 1 377.448 3.861 20 5 GHBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001472798907 1073671025 /nfs/dbraw/zinc/67/10/25/1073671025.db2.gz BDBPQPQPWNIEGM-QRWLVFNGSA-N 1 1 394.475 3.562 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC001473144195 1073805809 /nfs/dbraw/zinc/80/58/09/1073805809.db2.gz JHSPFNCOEVRIEG-HNNXBMFYSA-N 1 1 386.233 3.964 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC001473175651 1073832664 /nfs/dbraw/zinc/83/26/64/1073832664.db2.gz NDTCUEVYLRHOEO-OALUTQOASA-N 1 1 389.496 3.983 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001473178970 1073836238 /nfs/dbraw/zinc/83/62/38/1073836238.db2.gz BHDSIEAKICAGGJ-LZJOCLMNSA-N 1 1 379.460 3.887 20 5 GHBDMO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473198555 1073850361 /nfs/dbraw/zinc/85/03/61/1073850361.db2.gz NRBXXABGGHINEW-XOBRGWDASA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473198555 1073850373 /nfs/dbraw/zinc/85/03/73/1073850373.db2.gz NRBXXABGGHINEW-XOBRGWDASA-N 1 1 383.423 3.706 20 5 GHBDMO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001473466944 1073978956 /nfs/dbraw/zinc/97/89/56/1073978956.db2.gz RLVORIGHMGUZKM-QGZVFWFLSA-N 1 1 393.484 3.874 20 5 GHBDMO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001473466944 1073978959 /nfs/dbraw/zinc/97/89/59/1073978959.db2.gz RLVORIGHMGUZKM-QGZVFWFLSA-N 1 1 393.484 3.874 20 5 GHBDMO Cc1ccc2c(c1)C[N@@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C(C)(C)C2 ZINC001473498098 1073990518 /nfs/dbraw/zinc/99/05/18/1073990518.db2.gz RWFVSQHJLKKNIZ-UHFFFAOYSA-N 1 1 379.460 3.629 20 5 GHBDMO Cc1ccc2c(c1)C[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C(C)(C)C2 ZINC001473498098 1073990521 /nfs/dbraw/zinc/99/05/21/1073990521.db2.gz RWFVSQHJLKKNIZ-UHFFFAOYSA-N 1 1 379.460 3.629 20 5 GHBDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001473575967 1074025317 /nfs/dbraw/zinc/02/53/17/1074025317.db2.gz NPIQSGYQTPUMHL-WIYYLYMNSA-N 1 1 388.439 3.571 20 5 GHBDMO COC[C@@H](C)[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCc2ccccc21 ZINC001473691150 1074089475 /nfs/dbraw/zinc/08/94/75/1074089475.db2.gz DJOZADHLQLKCTA-IIBYNOLFSA-N 1 1 397.475 3.866 20 5 GHBDMO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473753426 1074123894 /nfs/dbraw/zinc/12/38/94/1074123894.db2.gz ANPUTAWLWNPKRN-GOSISDBHSA-N 1 1 397.258 3.834 20 5 GHBDMO C[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001473782753 1074140660 /nfs/dbraw/zinc/14/06/60/1074140660.db2.gz BAYQINWLRYUBHL-GFCCVEGCSA-N 1 1 382.445 3.668 20 5 GHBDMO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473844778 1074170896 /nfs/dbraw/zinc/17/08/96/1074170896.db2.gz ASLNGIKEBDUXOB-QGZVFWFLSA-N 1 1 388.489 3.637 20 5 GHBDMO CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473844778 1074170901 /nfs/dbraw/zinc/17/09/01/1074170901.db2.gz ASLNGIKEBDUXOB-QGZVFWFLSA-N 1 1 388.489 3.637 20 5 GHBDMO CN1CCN(c2cc[nH+]cc2NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001474097251 1074262611 /nfs/dbraw/zinc/26/26/11/1074262611.db2.gz BSJQLUMHBPVBPI-UHFFFAOYSA-N 1 1 393.447 3.614 20 5 GHBDMO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001474625025 1074489210 /nfs/dbraw/zinc/48/92/10/1074489210.db2.gz HJHSCPUJFZILPZ-ACCWSSFSSA-N 1 1 386.370 3.672 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CC[N@@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)s1 ZINC001474730750 1074537013 /nfs/dbraw/zinc/53/70/13/1074537013.db2.gz AQVIWWVPUTVFRP-JEMSNHSXSA-N 1 1 387.461 3.731 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc1Cl ZINC001164857044 720949045 /nfs/dbraw/zinc/94/90/45/720949045.db2.gz GCNAAIUALUNLGE-CYBMUJFWSA-N 1 1 392.891 3.570 20 5 GHBDMO O=[N+]([O-])c1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc2[nH]ccc21 ZINC001164994043 722205024 /nfs/dbraw/zinc/20/50/24/722205024.db2.gz DSURNBNXTCQHFZ-NRFANRHFSA-N 1 1 395.438 3.855 20 5 GHBDMO O=C(CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000581428965 837516222 /nfs/dbraw/zinc/51/62/22/837516222.db2.gz NCWUJLVSLKEFDE-KRWDZBQOSA-N 1 1 385.489 3.931 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)c2C1 ZINC000066514172 837589266 /nfs/dbraw/zinc/58/92/66/837589266.db2.gz NOSIEDYWLKQJLN-UHFFFAOYSA-N 1 1 378.432 3.914 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)c2C1 ZINC000066514172 837589268 /nfs/dbraw/zinc/58/92/68/837589268.db2.gz NOSIEDYWLKQJLN-UHFFFAOYSA-N 1 1 378.432 3.914 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180937247 837715836 /nfs/dbraw/zinc/71/58/36/837715836.db2.gz UHHUHIBKXSPSHV-IYBDPMFKSA-N 1 1 396.491 3.585 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Cl ZINC000049409467 834350366 /nfs/dbraw/zinc/35/03/66/834350366.db2.gz ULUABTCQMVEKIJ-MRXNPFEDSA-N 1 1 382.247 3.934 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000577541211 834463281 /nfs/dbraw/zinc/46/32/81/834463281.db2.gz OTNHUFLCBOKZSC-OAHLLOKOSA-N 1 1 393.390 3.891 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000577541211 834463284 /nfs/dbraw/zinc/46/32/84/834463284.db2.gz OTNHUFLCBOKZSC-OAHLLOKOSA-N 1 1 393.390 3.891 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000175282177 834504508 /nfs/dbraw/zinc/50/45/08/834504508.db2.gz YFRXKFACFPJULP-LJQANCHMSA-N 1 1 381.476 3.887 20 5 GHBDMO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000128192058 834574479 /nfs/dbraw/zinc/57/44/79/834574479.db2.gz AJBOQNKJJGPPNW-LJQANCHMSA-N 1 1 395.415 3.729 20 5 GHBDMO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000128192058 834574483 /nfs/dbraw/zinc/57/44/83/834574483.db2.gz AJBOQNKJJGPPNW-LJQANCHMSA-N 1 1 395.415 3.729 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472323391 834658022 /nfs/dbraw/zinc/65/80/22/834658022.db2.gz SZUCCQRAQXYOJU-SJLPKXTDSA-N 1 1 397.475 3.885 20 5 GHBDMO Cc1nn(C)c(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] ZINC000052486836 834799244 /nfs/dbraw/zinc/79/92/44/834799244.db2.gz FMZZKRLNVKMLRG-UHFFFAOYSA-N 1 1 397.401 3.732 20 5 GHBDMO Cc1c(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000510070772 834848663 /nfs/dbraw/zinc/84/86/63/834848663.db2.gz KEPGXFFYKRBNAW-LPHOPBHVSA-N 1 1 381.476 3.934 20 5 GHBDMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000176995392 837824493 /nfs/dbraw/zinc/82/44/93/837824493.db2.gz RMQVTDWPTZUCQY-AWEZNQCLSA-N 1 1 380.404 3.587 20 5 GHBDMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000176995392 837824506 /nfs/dbraw/zinc/82/45/06/837824506.db2.gz RMQVTDWPTZUCQY-AWEZNQCLSA-N 1 1 380.404 3.587 20 5 GHBDMO CNc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000610200146 835021605 /nfs/dbraw/zinc/02/16/05/835021605.db2.gz KXQOSPHOKABRHI-KDOFPFPSSA-N 1 1 388.493 3.511 20 5 GHBDMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3OC)ccc2NC1=O ZINC000430207121 835089227 /nfs/dbraw/zinc/08/92/27/835089227.db2.gz YUEKHOXUDGVCBQ-SJKOYZFVSA-N 1 1 385.420 3.564 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000510090432 835120787 /nfs/dbraw/zinc/12/07/87/835120787.db2.gz WKJKKMAAKFSKBF-SJLPKXTDSA-N 1 1 397.475 3.634 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000430212148 835157470 /nfs/dbraw/zinc/15/74/70/835157470.db2.gz KZWRFJIUFHKENF-HNNXBMFYSA-N 1 1 397.353 3.671 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000430212148 835157473 /nfs/dbraw/zinc/15/74/73/835157473.db2.gz KZWRFJIUFHKENF-HNNXBMFYSA-N 1 1 397.353 3.671 20 5 GHBDMO C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000511309463 835189313 /nfs/dbraw/zinc/18/93/13/835189313.db2.gz PEPYHMNLIGOHRC-INIZCTEOSA-N 1 1 394.475 3.587 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471161729 835251753 /nfs/dbraw/zinc/25/17/53/835251753.db2.gz QIYJRWJLPZVBKF-CQSZACIVSA-N 1 1 395.419 3.644 20 5 GHBDMO COc1cc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000157584427 835251902 /nfs/dbraw/zinc/25/19/02/835251902.db2.gz CEBMZCDNAPGFJT-INIZCTEOSA-N 1 1 389.496 3.720 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611983764 835299340 /nfs/dbraw/zinc/29/93/40/835299340.db2.gz IOIVQPUQLFNJBP-CQSZACIVSA-N 1 1 393.390 3.664 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612128101 835569174 /nfs/dbraw/zinc/56/91/74/835569174.db2.gz QLRHXJNIPFCVGN-ILWGZMRPSA-N 1 1 393.487 3.554 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3csc([N+](=O)[O-])c3)C2)s1 ZINC000584128961 835672527 /nfs/dbraw/zinc/67/25/27/835672527.db2.gz LYJLKUSJMQHUKW-CYBMUJFWSA-N 1 1 379.507 3.620 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000411125613 836073360 /nfs/dbraw/zinc/07/33/60/836073360.db2.gz LBYFNKHZNUSHNO-ZDUSSCGKSA-N 1 1 375.400 3.764 20 5 GHBDMO CC1=C(c2ccco2)C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000548930655 836213140 /nfs/dbraw/zinc/21/31/40/836213140.db2.gz WCRBSJJSAZLACE-UHFFFAOYSA-N 1 1 383.404 3.665 20 5 GHBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610763260 844145884 /nfs/dbraw/zinc/14/58/84/844145884.db2.gz PAYRVKDIERXKLH-MRXNPFEDSA-N 1 1 378.469 3.808 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000510167798 836487696 /nfs/dbraw/zinc/48/76/96/836487696.db2.gz OIUFDLCIGSDBLM-NVXWUHKLSA-N 1 1 385.439 3.764 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000247029444 836585430 /nfs/dbraw/zinc/58/54/30/836585430.db2.gz FOGNQOQTGJYDTD-CYGODWOOSA-N 1 1 395.503 3.800 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000376044482 836639948 /nfs/dbraw/zinc/63/99/48/836639948.db2.gz SYCYCSRXTYCLBR-AWEZNQCLSA-N 1 1 387.411 3.611 20 5 GHBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000247556988 844197517 /nfs/dbraw/zinc/19/75/17/844197517.db2.gz ZHGMSNSBICEPKG-HNAYVOBHSA-N 1 1 382.464 3.751 20 5 GHBDMO C[C@H](c1cccc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1)[NH+]1CCOCC1 ZINC000511377400 836772095 /nfs/dbraw/zinc/77/20/95/836772095.db2.gz KIVNHTWUOITWDE-CQSZACIVSA-N 1 1 396.447 3.616 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000610788701 844216952 /nfs/dbraw/zinc/21/69/52/844216952.db2.gz FFCAXUOAKMIWBJ-OAQYLSRUSA-N 1 1 383.448 3.797 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000610788701 844216957 /nfs/dbraw/zinc/21/69/57/844216957.db2.gz FFCAXUOAKMIWBJ-OAQYLSRUSA-N 1 1 383.448 3.797 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275418556 837011317 /nfs/dbraw/zinc/01/13/17/837011317.db2.gz BNXVKILQVXCZLY-INIZCTEOSA-N 1 1 377.488 3.944 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247169425 837044234 /nfs/dbraw/zinc/04/42/34/837044234.db2.gz YLKURZFXWPBYJY-TZIWHRDSSA-N 1 1 379.460 3.722 20 5 GHBDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000180067325 837064581 /nfs/dbraw/zinc/06/45/81/837064581.db2.gz FXDQKIHNLXJDEA-WOJBJXKFSA-N 1 1 396.447 3.703 20 5 GHBDMO CC(C)[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000180070187 837065591 /nfs/dbraw/zinc/06/55/91/837065591.db2.gz WYLHQAMOVOWSMS-DHIUTWEWSA-N 1 1 396.535 3.546 20 5 GHBDMO COc1cccc2sc(NC(=O)C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)nc21 ZINC000180418547 837228901 /nfs/dbraw/zinc/22/89/01/837228901.db2.gz KZDIIFGRSGVCKE-LLVKDONJSA-N 1 1 386.433 3.502 20 5 GHBDMO C[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180458976 837282034 /nfs/dbraw/zinc/28/20/34/837282034.db2.gz PYAWLIRMHJRKDO-GFCCVEGCSA-N 1 1 382.445 3.668 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1Cc1ccccc1 ZINC000177475727 837976307 /nfs/dbraw/zinc/97/63/07/837976307.db2.gz GFDWPIDROQFEKY-RDJZCZTQSA-N 1 1 392.459 3.859 20 5 GHBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275634425 838120634 /nfs/dbraw/zinc/12/06/34/838120634.db2.gz JTKQSCOBLBFLQH-INIZCTEOSA-N 1 1 377.488 3.801 20 5 GHBDMO C[C@@H](CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000471455187 838217497 /nfs/dbraw/zinc/21/74/97/838217497.db2.gz MVFLIXLYEHFBAQ-INIZCTEOSA-N 1 1 387.505 3.714 20 5 GHBDMO CC(C)Oc1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000412303758 838244879 /nfs/dbraw/zinc/24/48/79/838244879.db2.gz MFTJASGLGKXZFQ-GOSISDBHSA-N 1 1 397.475 3.634 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](Nc4ccccc4)C3)o2)c1 ZINC000104683424 838862493 /nfs/dbraw/zinc/86/24/93/838862493.db2.gz GNLDSRKLKBZICK-SFHVURJKSA-N 1 1 378.432 3.979 20 5 GHBDMO C[C@@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414957698 839006625 /nfs/dbraw/zinc/00/66/25/839006625.db2.gz WHYUEUFZTZSPOV-APWZRJJASA-N 1 1 391.475 3.678 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000124401279 839038906 /nfs/dbraw/zinc/03/89/06/839038906.db2.gz ZTBODAFZEDCIHS-OAHLLOKOSA-N 1 1 388.468 3.562 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000175792748 839042657 /nfs/dbraw/zinc/04/26/57/839042657.db2.gz CJHWDGNDSPGXLS-OAHLLOKOSA-N 1 1 393.447 3.768 20 5 GHBDMO C[C@@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610400893 839064864 /nfs/dbraw/zinc/06/48/64/839064864.db2.gz ORRKZOYUQUCLRW-OXQOHEQNSA-N 1 1 382.464 3.572 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415123337 839242772 /nfs/dbraw/zinc/24/27/72/839242772.db2.gz JJXIBHABDGNORS-VQIMIIECSA-N 1 1 399.491 3.599 20 5 GHBDMO COc1cc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415123337 839242781 /nfs/dbraw/zinc/24/27/81/839242781.db2.gz JJXIBHABDGNORS-VQIMIIECSA-N 1 1 399.491 3.599 20 5 GHBDMO COc1cc(Br)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1O ZINC000483642895 844416637 /nfs/dbraw/zinc/41/66/37/844416637.db2.gz XDKWDZCNEGZTQV-UHFFFAOYSA-N 1 1 381.226 3.670 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CC1(O)CCCCCC1 ZINC000187347461 839440379 /nfs/dbraw/zinc/44/03/79/839440379.db2.gz ODNBVZRIBUMNSO-ZDUSSCGKSA-N 1 1 383.876 3.592 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cc1OC ZINC000412086919 839482604 /nfs/dbraw/zinc/48/26/04/839482604.db2.gz OSWNXAYPYFVHMY-XHSDSOJGSA-N 1 1 380.485 3.621 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000119244488 839932439 /nfs/dbraw/zinc/93/24/39/839932439.db2.gz JPUFVWBOXVXRNY-FXAWDEMLSA-N 1 1 381.476 3.697 20 5 GHBDMO COc1c(O)ccc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020213 839952503 /nfs/dbraw/zinc/95/25/03/839952503.db2.gz NUOYCWHAKXPYJW-GUYCJALGSA-N 1 1 391.493 3.543 20 5 GHBDMO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020213 839952510 /nfs/dbraw/zinc/95/25/10/839952510.db2.gz NUOYCWHAKXPYJW-GUYCJALGSA-N 1 1 391.493 3.543 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)o2)c([N+](=O)[O-])c1 ZINC000121233893 840011944 /nfs/dbraw/zinc/01/19/44/840011944.db2.gz WCZMNCWVUCBUAU-AWEZNQCLSA-N 1 1 382.420 3.966 20 5 GHBDMO CCC[N@@H+]1CCC[C@H]1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000123966189 840357789 /nfs/dbraw/zinc/35/77/89/840357789.db2.gz VWQQGTITRFFCFS-IBGZPJMESA-N 1 1 397.431 3.627 20 5 GHBDMO CCC[N@H+]1CCC[C@H]1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000123966189 840357800 /nfs/dbraw/zinc/35/78/00/840357800.db2.gz VWQQGTITRFFCFS-IBGZPJMESA-N 1 1 397.431 3.627 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](O)c3c(F)cccc3F)cs2)c1 ZINC000123995752 840514734 /nfs/dbraw/zinc/51/47/34/840514734.db2.gz ASGNRCYKZDGJBY-MRXNPFEDSA-N 1 1 391.399 3.820 20 5 GHBDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000584689668 840564460 /nfs/dbraw/zinc/56/44/60/840564460.db2.gz YHFIYRQUXSODNP-UHFFFAOYSA-N 1 1 395.459 3.788 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000511773822 840708610 /nfs/dbraw/zinc/70/86/10/840708610.db2.gz WLBTWTCWUZBYIC-FQEVSTJZSA-N 1 1 381.476 3.554 20 5 GHBDMO Cc1c(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000511805942 840814562 /nfs/dbraw/zinc/81/45/62/840814562.db2.gz JGFQBIZXJXGFBD-NRFANRHFSA-N 1 1 395.503 3.863 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000511842687 840914225 /nfs/dbraw/zinc/91/42/25/840914225.db2.gz LSVPRLUXJXYTRE-INIZCTEOSA-N 1 1 393.365 3.618 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000072716223 840988818 /nfs/dbraw/zinc/98/88/18/840988818.db2.gz GLWYQWXIBSULOW-GOSISDBHSA-N 1 1 375.469 3.655 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000511645311 841306692 /nfs/dbraw/zinc/30/66/92/841306692.db2.gz JBDPCLIDMJMGJZ-SJLPKXTDSA-N 1 1 396.491 3.667 20 5 GHBDMO Cc1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302087280 861201932 /nfs/dbraw/zinc/20/19/32/861201932.db2.gz NYJBLFIHTQGGMV-SFHVURJKSA-N 1 1 384.480 3.533 20 5 GHBDMO C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700609 861210007 /nfs/dbraw/zinc/21/00/07/861210007.db2.gz FRHZGIPVTBBZHR-DOTOQJQBSA-N 1 1 384.480 3.992 20 5 GHBDMO O=[N+]([O-])c1cccc2c(N[C@H](C[NH+]3CCOCC3)c3ccccc3)ccnc21 ZINC000432338656 842092226 /nfs/dbraw/zinc/09/22/26/842092226.db2.gz WOLDRDYQUITXIO-LJQANCHMSA-N 1 1 378.432 3.628 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1[N+](=O)[O-] ZINC000600206247 861276788 /nfs/dbraw/zinc/27/67/88/861276788.db2.gz CZKOBSSIRWVMJK-DIBPYXDISA-N 1 1 399.516 3.848 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1[N+](=O)[O-] ZINC000600206247 861276804 /nfs/dbraw/zinc/27/68/04/861276804.db2.gz CZKOBSSIRWVMJK-DIBPYXDISA-N 1 1 399.516 3.848 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)C1 ZINC000603855888 861280128 /nfs/dbraw/zinc/28/01/28/861280128.db2.gz DZMMZWNHXHJPJR-OAHLLOKOSA-N 1 1 382.464 3.538 20 5 GHBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000613838137 842195752 /nfs/dbraw/zinc/19/57/52/842195752.db2.gz FVLOYRFUFCXBCZ-UHFFFAOYSA-N 1 1 377.510 3.796 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000157950181 842227720 /nfs/dbraw/zinc/22/77/20/842227720.db2.gz HAPRZOGTXGKCGM-XLIONFOSSA-N 1 1 396.491 3.789 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093592992 842254799 /nfs/dbraw/zinc/25/47/99/842254799.db2.gz XWDJWGZXEGYASK-QGZVFWFLSA-N 1 1 392.459 3.993 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600214788 861293338 /nfs/dbraw/zinc/29/33/38/861293338.db2.gz STFTWHZOQGSQII-QGZVFWFLSA-N 1 1 378.432 3.690 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000603867954 861297814 /nfs/dbraw/zinc/29/78/14/861297814.db2.gz GRILPQRZCTWMBR-SFHVURJKSA-N 1 1 384.432 3.677 20 5 GHBDMO CCn1nccc1C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000278966875 842391912 /nfs/dbraw/zinc/39/19/12/842391912.db2.gz XJJVAMCMLJKQOM-UHFFFAOYSA-N 1 1 381.436 3.846 20 5 GHBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000278977113 842409552 /nfs/dbraw/zinc/40/95/52/842409552.db2.gz QQKGSCYFECFFLZ-SECBINFHSA-N 1 1 388.371 3.750 20 5 GHBDMO CC(C)(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600230384 861319094 /nfs/dbraw/zinc/31/90/94/861319094.db2.gz RYOXLCGAPUNLTH-MRXNPFEDSA-N 1 1 377.460 3.535 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000104861972 842606434 /nfs/dbraw/zinc/60/64/34/842606434.db2.gz JQRACNOPLPTJEP-UHFFFAOYSA-N 1 1 382.283 3.741 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000471826608 842738104 /nfs/dbraw/zinc/73/81/04/842738104.db2.gz NKPRNIWZOTXOHM-UHFFFAOYSA-N 1 1 380.473 3.963 20 5 GHBDMO Cc1ccc(N2CCC[N@@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC2)cc1 ZINC000728899308 842812528 /nfs/dbraw/zinc/81/25/28/842812528.db2.gz RHUJSNAVSNOBJS-UHFFFAOYSA-N 1 1 391.475 3.937 20 5 GHBDMO COc1c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cccc1[N+](=O)[O-] ZINC000474897199 861364859 /nfs/dbraw/zinc/36/48/59/861364859.db2.gz GYNUKXBXMKIQTK-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(F)c1 ZINC000512246635 843211977 /nfs/dbraw/zinc/21/19/77/843211977.db2.gz XASASOZVUYRVQH-NRFANRHFSA-N 1 1 387.430 3.971 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC000603933563 861394953 /nfs/dbraw/zinc/39/49/53/861394953.db2.gz PEJFEKOVNMMUPY-UHFFFAOYSA-N 1 1 385.411 3.993 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000548407777 843259214 /nfs/dbraw/zinc/25/92/14/843259214.db2.gz WJYCOIPDGWWNKE-JKSUJKDBSA-N 1 1 390.484 3.722 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000610676611 843497793 /nfs/dbraw/zinc/49/77/93/843497793.db2.gz FHUFYRHSQWHRPU-QGZVFWFLSA-N 1 1 393.447 3.875 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000610676611 843497798 /nfs/dbraw/zinc/49/77/98/843497798.db2.gz FHUFYRHSQWHRPU-QGZVFWFLSA-N 1 1 393.447 3.875 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)C1 ZINC000603941802 861425378 /nfs/dbraw/zinc/42/53/78/861425378.db2.gz XJKXJNRSWOXRRA-HNNXBMFYSA-N 1 1 385.439 3.896 20 5 GHBDMO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000603941102 861427315 /nfs/dbraw/zinc/42/73/15/861427315.db2.gz LMDAPXQRXATINX-FQEVSTJZSA-N 1 1 385.439 3.547 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000432799639 843865676 /nfs/dbraw/zinc/86/56/76/843865676.db2.gz YLGCFJIFDWHEHZ-UHFFFAOYSA-N 1 1 396.802 3.571 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000432799639 843865686 /nfs/dbraw/zinc/86/56/86/843865686.db2.gz YLGCFJIFDWHEHZ-UHFFFAOYSA-N 1 1 396.802 3.571 20 5 GHBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000500736129 843907180 /nfs/dbraw/zinc/90/71/80/843907180.db2.gz BYFKGSQTCTZHJV-KGLIPLIRSA-N 1 1 388.493 3.569 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)C23CCCC3)cc1OC ZINC000433297421 843994877 /nfs/dbraw/zinc/99/48/77/843994877.db2.gz LFCKMOBNCHCGID-YWZLYKJASA-N 1 1 392.496 3.908 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000119422938 844661939 /nfs/dbraw/zinc/66/19/39/844661939.db2.gz ORPOKXOCPZHEMQ-GFCCVEGCSA-N 1 1 396.390 3.973 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000729265286 844819959 /nfs/dbraw/zinc/81/99/59/844819959.db2.gz CYEBVZUQRKWMKF-IJEWVQPXSA-N 1 1 394.903 3.524 20 5 GHBDMO COc1cccc(C2=CC[N@H+](Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000512664044 844946578 /nfs/dbraw/zinc/94/65/78/844946578.db2.gz VDPUMJUMKIBTRU-UHFFFAOYSA-N 1 1 384.432 3.910 20 5 GHBDMO COc1cccc(C2=CC[N@@H+](Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000512664044 844946581 /nfs/dbraw/zinc/94/65/81/844946581.db2.gz VDPUMJUMKIBTRU-UHFFFAOYSA-N 1 1 384.432 3.910 20 5 GHBDMO COC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599683235 861521419 /nfs/dbraw/zinc/52/14/19/861521419.db2.gz OMZCIKZTRDWEDB-BEFAXECRSA-N 1 1 383.448 3.558 20 5 GHBDMO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000509777795 845136321 /nfs/dbraw/zinc/13/63/21/845136321.db2.gz RXQRNRHAXPZAKS-VQIMIIECSA-N 1 1 397.475 3.901 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000538215844 845310928 /nfs/dbraw/zinc/31/09/28/845310928.db2.gz NTAKPQJVJLPBLS-MRXNPFEDSA-N 1 1 393.390 3.951 20 5 GHBDMO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236983982 845386175 /nfs/dbraw/zinc/38/61/75/845386175.db2.gz FDBVINKLLMBHNU-NWDGAFQWSA-N 1 1 379.844 3.901 20 5 GHBDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533841820 845443992 /nfs/dbraw/zinc/44/39/92/845443992.db2.gz XWSZXETWTCSJPX-NRFANRHFSA-N 1 1 379.460 3.534 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000843812708 861568801 /nfs/dbraw/zinc/56/88/01/861568801.db2.gz YVDFGTHJUUQTFD-HNNXBMFYSA-N 1 1 385.439 3.779 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000008127546 845502198 /nfs/dbraw/zinc/50/21/98/845502198.db2.gz XRRTWCBOSQUBHO-UHFFFAOYSA-N 1 1 379.416 3.827 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000008127546 845502205 /nfs/dbraw/zinc/50/22/05/845502205.db2.gz XRRTWCBOSQUBHO-UHFFFAOYSA-N 1 1 379.416 3.827 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1cccs1 ZINC000131683261 861583456 /nfs/dbraw/zinc/58/34/56/861583456.db2.gz ZOOIEFDPQYEGMX-BFUOFWGJSA-N 1 1 398.488 3.951 20 5 GHBDMO CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000561958464 845785933 /nfs/dbraw/zinc/78/59/33/845785933.db2.gz WGLRXUOUQPOGFI-SFHVURJKSA-N 1 1 383.448 3.576 20 5 GHBDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000561958464 845785940 /nfs/dbraw/zinc/78/59/40/845785940.db2.gz WGLRXUOUQPOGFI-SFHVURJKSA-N 1 1 383.448 3.576 20 5 GHBDMO Cc1cnc(CC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000157314109 845935951 /nfs/dbraw/zinc/93/59/51/845935951.db2.gz XWCZTPHXWICUOU-NSHDSACASA-N 1 1 382.873 3.515 20 5 GHBDMO Cc1cnc(CC[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000157314109 845935958 /nfs/dbraw/zinc/93/59/58/845935958.db2.gz XWCZTPHXWICUOU-NSHDSACASA-N 1 1 382.873 3.515 20 5 GHBDMO Cc1cnc(CC[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000157419622 845947347 /nfs/dbraw/zinc/94/73/47/845947347.db2.gz BVJHBGJTBKVMKP-NSHDSACASA-N 1 1 382.873 3.515 20 5 GHBDMO Cc1cnc(CC[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000157419622 845947355 /nfs/dbraw/zinc/94/73/55/845947355.db2.gz BVJHBGJTBKVMKP-NSHDSACASA-N 1 1 382.873 3.515 20 5 GHBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000421382450 846198972 /nfs/dbraw/zinc/19/89/72/846198972.db2.gz KSSMBEQGDJIOSA-INIZCTEOSA-N 1 1 385.489 3.622 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000421479846 846266777 /nfs/dbraw/zinc/26/67/77/846266777.db2.gz GSPGCAXBGDBDEI-PKOBYXMFSA-N 1 1 381.476 3.995 20 5 GHBDMO CC(C)[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000511072831 846286248 /nfs/dbraw/zinc/28/62/48/846286248.db2.gz MOVAGWLDZSOQMZ-OAQYLSRUSA-N 1 1 387.455 3.722 20 5 GHBDMO CC(C)[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000511072831 846286261 /nfs/dbraw/zinc/28/62/61/846286261.db2.gz MOVAGWLDZSOQMZ-OAQYLSRUSA-N 1 1 387.455 3.722 20 5 GHBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000500989822 846526506 /nfs/dbraw/zinc/52/65/06/846526506.db2.gz SWISCWONADOMQU-UHFFFAOYSA-N 1 1 382.342 3.596 20 5 GHBDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501036950 846583147 /nfs/dbraw/zinc/58/31/47/846583147.db2.gz OLJZYKZBBVAEHY-QGZVFWFLSA-N 1 1 382.464 3.524 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000511091764 846603866 /nfs/dbraw/zinc/60/38/66/846603866.db2.gz QVHMVSRBXMGQFK-UHFFFAOYSA-N 1 1 392.337 3.737 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000511091764 846603873 /nfs/dbraw/zinc/60/38/73/846603873.db2.gz QVHMVSRBXMGQFK-UHFFFAOYSA-N 1 1 392.337 3.737 20 5 GHBDMO Cc1ccc(N2CCC(Nc3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)[nH+]c1 ZINC000413155274 846742552 /nfs/dbraw/zinc/74/25/52/846742552.db2.gz BTHLSRIHBFETKC-UHFFFAOYSA-N 1 1 381.358 3.793 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000501603715 847041040 /nfs/dbraw/zinc/04/10/40/847041040.db2.gz HDHUQBUYRRNROJ-HOTGVXAUSA-N 1 1 392.459 3.811 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000511111557 847077173 /nfs/dbraw/zinc/07/71/73/847077173.db2.gz VPCZMVNTFOUQRE-MRXNPFEDSA-N 1 1 382.382 3.692 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413288376 847098982 /nfs/dbraw/zinc/09/89/82/847098982.db2.gz HTGTVTZWWWWOLF-RBUKOAKNSA-N 1 1 397.500 3.886 20 5 GHBDMO CC(C)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)c1ccsc1 ZINC000421009764 847608921 /nfs/dbraw/zinc/60/89/21/847608921.db2.gz NRZQAVWTKBBFNK-GFCCVEGCSA-N 1 1 391.449 3.795 20 5 GHBDMO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)c1ccsc1 ZINC000421009764 847608926 /nfs/dbraw/zinc/60/89/26/847608926.db2.gz NRZQAVWTKBBFNK-GFCCVEGCSA-N 1 1 391.449 3.795 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1F ZINC000277721060 847702374 /nfs/dbraw/zinc/70/23/74/847702374.db2.gz PMJBDEDUQQKTRB-UHFFFAOYSA-N 1 1 389.452 3.843 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000131965993 861853910 /nfs/dbraw/zinc/85/39/10/861853910.db2.gz SPTHROPOTKHABI-IBGZPJMESA-N 1 1 398.463 3.819 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC[N@@H+](CCCc4ccccc4)CC3)c2c1 ZINC000611710687 848081013 /nfs/dbraw/zinc/08/10/13/848081013.db2.gz MBGOBJSKKZUCTB-UHFFFAOYSA-N 1 1 391.475 3.683 20 5 GHBDMO CC[NH+](CC)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000121884903 848238660 /nfs/dbraw/zinc/23/86/60/848238660.db2.gz RJJJWOUXQZGKNJ-OAHLLOKOSA-N 1 1 397.522 3.555 20 5 GHBDMO C[N@@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000611712865 848264133 /nfs/dbraw/zinc/26/41/33/848264133.db2.gz RMZDPXJOAUFOHS-QZTJIDSGSA-N 1 1 385.374 3.674 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000611712865 848264144 /nfs/dbraw/zinc/26/41/44/848264144.db2.gz RMZDPXJOAUFOHS-QZTJIDSGSA-N 1 1 385.374 3.674 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612132945 848496477 /nfs/dbraw/zinc/49/64/77/848496477.db2.gz NNFYMEMMXKGDHZ-VLCRHTCISA-N 1 1 393.487 3.934 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481630086 861912601 /nfs/dbraw/zinc/91/26/01/861912601.db2.gz RCEZEYUVZPCWJY-UHFFFAOYSA-N 1 1 388.439 3.702 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000737677808 849162951 /nfs/dbraw/zinc/16/29/51/849162951.db2.gz GAVUCKNHEPFUPF-RDJZCZTQSA-N 1 1 385.439 3.859 20 5 GHBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278100011 849174469 /nfs/dbraw/zinc/17/44/69/849174469.db2.gz JKRCVUGBOQNEJS-MRXNPFEDSA-N 1 1 377.488 3.801 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000487058671 850397331 /nfs/dbraw/zinc/39/73/31/850397331.db2.gz FPRCDUQULWWMEC-MRXNPFEDSA-N 1 1 387.867 3.543 20 5 GHBDMO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435374644 850422273 /nfs/dbraw/zinc/42/22/73/850422273.db2.gz JEPVPPBCGOQDHQ-NEPJUHHUSA-N 1 1 394.269 3.786 20 5 GHBDMO CCOc1ccc([C@@H](C)NCC2([NH+](C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000504920434 850430844 /nfs/dbraw/zinc/43/08/44/850430844.db2.gz OUHXQVHTYQCCCA-MRXNPFEDSA-N 1 1 383.492 3.743 20 5 GHBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425006510 850857416 /nfs/dbraw/zinc/85/74/16/850857416.db2.gz MNGIQYQTRWOQDM-HNAYVOBHSA-N 1 1 385.851 3.595 20 5 GHBDMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000434510958 851191244 /nfs/dbraw/zinc/19/12/44/851191244.db2.gz OQSCNGCKXXYVTG-AWEZNQCLSA-N 1 1 394.928 3.967 20 5 GHBDMO C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+]1CCCC[C@@H]1C ZINC000436102074 851199999 /nfs/dbraw/zinc/19/99/99/851199999.db2.gz PUOFUNAMUJQIMW-JKSUJKDBSA-N 1 1 377.488 3.674 20 5 GHBDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000425514412 851451384 /nfs/dbraw/zinc/45/13/84/851451384.db2.gz QHHVYHNVDJYAQR-UHFFFAOYSA-N 1 1 391.855 3.745 20 5 GHBDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604492251 862250550 /nfs/dbraw/zinc/25/05/50/862250550.db2.gz FWTFEHNVIVUEPO-NSHDSACASA-N 1 1 381.354 3.906 20 5 GHBDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604492251 862250560 /nfs/dbraw/zinc/25/05/60/862250560.db2.gz FWTFEHNVIVUEPO-NSHDSACASA-N 1 1 381.354 3.906 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481788849 862260578 /nfs/dbraw/zinc/26/05/78/862260578.db2.gz VITKFFIGJHXSKM-GOSISDBHSA-N 1 1 388.851 3.777 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000604550284 862272486 /nfs/dbraw/zinc/27/24/86/862272486.db2.gz BTUNDCVEFRADNL-UHFFFAOYSA-N 1 1 375.388 3.500 20 5 GHBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488767804 851756742 /nfs/dbraw/zinc/75/67/42/851756742.db2.gz KZQFTPFJHVDUEC-QMTMVMCOSA-N 1 1 381.480 3.527 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000550210890 851944345 /nfs/dbraw/zinc/94/43/45/851944345.db2.gz BHRXHNVKQNTSHT-CQSZACIVSA-N 1 1 385.395 3.521 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000515918567 851945038 /nfs/dbraw/zinc/94/50/38/851945038.db2.gz IPZWIFDFDBSMKU-VCHSTOLQSA-N 1 1 399.413 3.779 20 5 GHBDMO CC[N@@H+](c1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1)C(C)C ZINC000008178222 851979190 /nfs/dbraw/zinc/97/91/90/851979190.db2.gz FWCUEFHWUNSLJI-UHFFFAOYSA-N 1 1 377.466 3.977 20 5 GHBDMO CC[N@H+](c1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1)C(C)C ZINC000008178222 851979196 /nfs/dbraw/zinc/97/91/96/851979196.db2.gz FWCUEFHWUNSLJI-UHFFFAOYSA-N 1 1 377.466 3.977 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000550220084 851992192 /nfs/dbraw/zinc/99/21/92/851992192.db2.gz KQPUWXDLTZEEHK-RYUDHWBXSA-N 1 1 398.301 3.516 20 5 GHBDMO Cc1cc(NCCCC[N@@H+]2CCCC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489171982 852082402 /nfs/dbraw/zinc/08/24/02/852082402.db2.gz AFMOQVNPXUGEIC-KRWDZBQOSA-N 1 1 383.496 3.849 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426015725 852422896 /nfs/dbraw/zinc/42/28/96/852422896.db2.gz VINMBGWJJIHIQX-IXDOHACOSA-N 1 1 388.512 3.635 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438482134 852459480 /nfs/dbraw/zinc/45/94/80/852459480.db2.gz XCUOTBUFXMTHBA-OAQYLSRUSA-N 1 1 383.448 3.596 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438482134 852459486 /nfs/dbraw/zinc/45/94/86/852459486.db2.gz XCUOTBUFXMTHBA-OAQYLSRUSA-N 1 1 383.448 3.596 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000516379494 852479965 /nfs/dbraw/zinc/47/99/65/852479965.db2.gz SLEANZMGVWWQGY-INIZCTEOSA-N 1 1 385.489 3.960 20 5 GHBDMO C[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)Cc1ccccc1[N+](=O)[O-] ZINC000517876737 852561724 /nfs/dbraw/zinc/56/17/24/852561724.db2.gz YVMIPLVYZASLBX-UHFFFAOYSA-N 1 1 380.452 3.551 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000507165149 852614449 /nfs/dbraw/zinc/61/44/49/852614449.db2.gz NUYWPKSMHYXWQU-MRXNPFEDSA-N 1 1 383.448 3.730 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCn4cc[nH+]c4C3)c([N+](=O)[O-])c2)cc1 ZINC000489932362 852654687 /nfs/dbraw/zinc/65/46/87/852654687.db2.gz FCAQKWCOCAQQDY-QGZVFWFLSA-N 1 1 391.431 3.779 20 5 GHBDMO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000490061953 852743326 /nfs/dbraw/zinc/74/33/26/852743326.db2.gz XLZSRSZAVRAKEJ-WMZOPIPTSA-N 1 1 388.489 3.555 20 5 GHBDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000490061953 852743333 /nfs/dbraw/zinc/74/33/33/852743333.db2.gz XLZSRSZAVRAKEJ-WMZOPIPTSA-N 1 1 388.489 3.555 20 5 GHBDMO CC1CC[NH+](CCc2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2)CC1 ZINC000507382523 852866278 /nfs/dbraw/zinc/86/62/78/852866278.db2.gz OWJZZRLSTKDDOS-UHFFFAOYSA-N 1 1 383.448 3.827 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000516688532 852889225 /nfs/dbraw/zinc/88/92/25/852889225.db2.gz HJAMGRVJEMAEFC-ICSRJNTNSA-N 1 1 381.476 3.557 20 5 GHBDMO C[C@@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414957704 852931797 /nfs/dbraw/zinc/93/17/97/852931797.db2.gz WHYUEUFZTZSPOV-VQIMIIECSA-N 1 1 391.475 3.678 20 5 GHBDMO CC(C)NC(=O)C[N@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506012398 852950095 /nfs/dbraw/zinc/95/00/95/852950095.db2.gz NJGZYNNJEKKCJK-UHFFFAOYSA-N 1 1 391.855 3.997 20 5 GHBDMO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506012398 852950105 /nfs/dbraw/zinc/95/01/05/852950105.db2.gz NJGZYNNJEKKCJK-UHFFFAOYSA-N 1 1 391.855 3.997 20 5 GHBDMO COc1cc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000509559026 852959398 /nfs/dbraw/zinc/95/93/98/852959398.db2.gz KHXCJSGRPWANTB-LJQANCHMSA-N 1 1 399.491 3.708 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000516759274 852988229 /nfs/dbraw/zinc/98/82/29/852988229.db2.gz WGGWSFYGONJQTM-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000507726779 853301464 /nfs/dbraw/zinc/30/14/64/853301464.db2.gz TYMDDFSCWLJZEV-UHFFFAOYSA-N 1 1 386.786 3.883 20 5 GHBDMO CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000518424596 853331752 /nfs/dbraw/zinc/33/17/52/853331752.db2.gz FAWQLGFFVQTDST-GOSISDBHSA-N 1 1 380.448 3.647 20 5 GHBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000518475389 853391937 /nfs/dbraw/zinc/39/19/37/853391937.db2.gz SNSPUHDIBLOMGU-MSOLQXFVSA-N 1 1 397.258 3.871 20 5 GHBDMO CCc1ccc[nH+]c1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000517264984 853594435 /nfs/dbraw/zinc/59/44/35/853594435.db2.gz FWSCBFKZEYNVSI-UHFFFAOYSA-N 1 1 383.189 3.769 20 5 GHBDMO C[N@H+](CCCOCc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000439482228 853709238 /nfs/dbraw/zinc/70/92/38/853709238.db2.gz SABCIHZSMGCZIY-UHFFFAOYSA-N 1 1 382.420 3.684 20 5 GHBDMO C[N@@H+](CCCOCc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000439482228 853709244 /nfs/dbraw/zinc/70/92/44/853709244.db2.gz SABCIHZSMGCZIY-UHFFFAOYSA-N 1 1 382.420 3.684 20 5 GHBDMO CC(C)c1ccc(C[N@@H+](C)CCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000571006222 853710898 /nfs/dbraw/zinc/71/08/98/853710898.db2.gz ANXLDOFVBJIIQJ-UHFFFAOYSA-N 1 1 381.274 3.809 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000589200101 854745107 /nfs/dbraw/zinc/74/51/07/854745107.db2.gz PVYUTMZHYWHDNH-IAGOWNOFSA-N 1 1 384.480 3.634 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC000553275367 854943532 /nfs/dbraw/zinc/94/35/32/854943532.db2.gz DMFLFTVBVKQTEN-OAHLLOKOSA-N 1 1 398.463 3.763 20 5 GHBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000589631019 855081271 /nfs/dbraw/zinc/08/12/71/855081271.db2.gz VDYYRCPMWZDVTO-LLVKDONJSA-N 1 1 386.290 3.516 20 5 GHBDMO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000590196236 855317985 /nfs/dbraw/zinc/31/79/85/855317985.db2.gz STTUJLIKUMSPLU-YJYMSZOUSA-N 1 1 389.402 3.715 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590441068 855421473 /nfs/dbraw/zinc/42/14/73/855421473.db2.gz AGCUXWFAUKEDTM-RDJZCZTQSA-N 1 1 377.510 3.509 20 5 GHBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@H]2C1 ZINC000590447101 855424440 /nfs/dbraw/zinc/42/44/40/855424440.db2.gz YHZHURSNVARJPO-BEFAXECRSA-N 1 1 383.473 3.522 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](Cc2ccc(OC)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000015485929 855433424 /nfs/dbraw/zinc/43/34/24/855433424.db2.gz HTEQZZFXFDECJG-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccc(OC)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000015485929 855433428 /nfs/dbraw/zinc/43/34/28/855433428.db2.gz HTEQZZFXFDECJG-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000590537219 855488639 /nfs/dbraw/zinc/48/86/39/855488639.db2.gz DOSBEWOPQBEDNE-MOPGFXCFSA-N 1 1 399.422 3.645 20 5 GHBDMO COC(=O)c1c(Cl)c(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000590583582 855499330 /nfs/dbraw/zinc/49/93/30/855499330.db2.gz ZGNJMPIMHPMVIJ-RDTXWAMCSA-N 1 1 389.839 3.892 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])[C@H](C)C2)cc1 ZINC000441550154 855610253 /nfs/dbraw/zinc/61/02/53/855610253.db2.gz YUEVOLBDVHBCGB-CVEARBPZSA-N 1 1 383.448 3.653 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])[C@H](C)C2)cc1 ZINC000441550154 855610259 /nfs/dbraw/zinc/61/02/59/855610259.db2.gz YUEVOLBDVHBCGB-CVEARBPZSA-N 1 1 383.448 3.653 20 5 GHBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000129591388 856047524 /nfs/dbraw/zinc/04/75/24/856047524.db2.gz WXPBYHMPMPMJMB-UHFFFAOYSA-N 1 1 379.416 3.750 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000129591388 856047536 /nfs/dbraw/zinc/04/75/36/856047536.db2.gz WXPBYHMPMPMJMB-UHFFFAOYSA-N 1 1 379.416 3.750 20 5 GHBDMO CN(C(=O)C[N@H+](C)Cc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000053112448 856072028 /nfs/dbraw/zinc/07/20/28/856072028.db2.gz PDNIYWYFFXINCP-UHFFFAOYSA-N 1 1 381.354 3.708 20 5 GHBDMO CN(C(=O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000053112448 856072035 /nfs/dbraw/zinc/07/20/35/856072035.db2.gz PDNIYWYFFXINCP-UHFFFAOYSA-N 1 1 381.354 3.708 20 5 GHBDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000485196923 856216676 /nfs/dbraw/zinc/21/66/76/856216676.db2.gz MOKXKNBEATXSAD-OCCSQVGLSA-N 1 1 391.269 4.000 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000485196923 856216679 /nfs/dbraw/zinc/21/66/79/856216679.db2.gz MOKXKNBEATXSAD-OCCSQVGLSA-N 1 1 391.269 4.000 20 5 GHBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc2ccccc2c1 ZINC000026807375 856476245 /nfs/dbraw/zinc/47/62/45/856476245.db2.gz PBXTYBPUSCCLBV-UHFFFAOYSA-N 1 1 375.428 3.769 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc2ccccc2c1 ZINC000026807375 856476261 /nfs/dbraw/zinc/47/62/61/856476261.db2.gz PBXTYBPUSCCLBV-UHFFFAOYSA-N 1 1 375.428 3.769 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000172788069 856605518 /nfs/dbraw/zinc/60/55/18/856605518.db2.gz BHBXSDPMLHGAHJ-INIZCTEOSA-N 1 1 383.496 3.782 20 5 GHBDMO CSc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1[N+](=O)[O-] ZINC000485506012 856678586 /nfs/dbraw/zinc/67/85/86/856678586.db2.gz YGDZNJFYOPKCEX-UHFFFAOYSA-N 1 1 392.506 3.792 20 5 GHBDMO CSc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c1[N+](=O)[O-] ZINC000485506012 856678591 /nfs/dbraw/zinc/67/85/91/856678591.db2.gz YGDZNJFYOPKCEX-UHFFFAOYSA-N 1 1 392.506 3.792 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1OC ZINC000542915784 856784959 /nfs/dbraw/zinc/78/49/59/856784959.db2.gz OOOKLXCCYBRIBM-DAYGRLMNSA-N 1 1 380.485 3.621 20 5 GHBDMO C[N@@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000543569542 862845183 /nfs/dbraw/zinc/84/51/83/862845183.db2.gz QWXYKZVCFPNOBU-UHFFFAOYSA-N 1 1 389.521 3.869 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)nc1 ZINC000173468581 856946539 /nfs/dbraw/zinc/94/65/39/856946539.db2.gz IINKISZXCGZZDB-OAHLLOKOSA-N 1 1 381.461 3.800 20 5 GHBDMO C[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1Cc1ccccc1 ZINC000173528043 856978497 /nfs/dbraw/zinc/97/84/97/856978497.db2.gz HSZOBDMIANAQOO-INIZCTEOSA-N 1 1 392.459 3.813 20 5 GHBDMO CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173712947 857101808 /nfs/dbraw/zinc/10/18/08/857101808.db2.gz IBHGQXZIERPBRC-SFHVURJKSA-N 1 1 392.459 3.813 20 5 GHBDMO CCc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] ZINC000174061087 857204129 /nfs/dbraw/zinc/20/41/29/857204129.db2.gz LXIZUTJYBOEKFL-UHFFFAOYSA-N 1 1 397.475 3.514 20 5 GHBDMO CCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] ZINC000174061087 857204137 /nfs/dbraw/zinc/20/41/37/857204137.db2.gz LXIZUTJYBOEKFL-UHFFFAOYSA-N 1 1 397.475 3.514 20 5 GHBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000593057633 857205282 /nfs/dbraw/zinc/20/52/82/857205282.db2.gz GSTAXSOUEIPKTE-IHWFROFDSA-N 1 1 397.450 3.588 20 5 GHBDMO CCN1CC[NH+](Cc2ccccc2CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000041621001 857236222 /nfs/dbraw/zinc/23/62/22/857236222.db2.gz VKFZCPBVVZYEFV-UHFFFAOYSA-N 1 1 396.491 3.547 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000485977132 857288203 /nfs/dbraw/zinc/28/82/03/857288203.db2.gz KBZVTLKJFMYNHH-UYAOXDASSA-N 1 1 384.386 3.700 20 5 GHBDMO Cc1c(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000174473174 857320151 /nfs/dbraw/zinc/32/01/51/857320151.db2.gz DUGDAABJROGVKC-SFHVURJKSA-N 1 1 382.464 3.889 20 5 GHBDMO Cc1cccc(OC[C@H](O)C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000113327739 857430264 /nfs/dbraw/zinc/43/02/64/857430264.db2.gz BCSUPILFBFKDHG-GOSISDBHSA-N 1 1 399.472 3.556 20 5 GHBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000175098628 857438716 /nfs/dbraw/zinc/43/87/16/857438716.db2.gz MDTGBGSLNFWNSO-UHFFFAOYSA-N 1 1 398.444 3.562 20 5 GHBDMO CC(C)CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000027110755 857444129 /nfs/dbraw/zinc/44/41/29/857444129.db2.gz XAXUTHRHLFYTOF-UHFFFAOYSA-N 1 1 384.274 3.806 20 5 GHBDMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027344083 857885299 /nfs/dbraw/zinc/88/52/99/857885299.db2.gz GNGCCORRLKSFLY-UHFFFAOYSA-N 1 1 387.439 3.863 20 5 GHBDMO CSc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000521363158 857917124 /nfs/dbraw/zinc/91/71/24/857917124.db2.gz AQTZBSOKPICPPS-OAHLLOKOSA-N 1 1 385.489 3.663 20 5 GHBDMO CSc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000521363158 857917133 /nfs/dbraw/zinc/91/71/33/857917133.db2.gz AQTZBSOKPICPPS-OAHLLOKOSA-N 1 1 385.489 3.663 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCCO)[C@@H]3CCc4ccccc43)n2)cc1 ZINC000114193371 857935692 /nfs/dbraw/zinc/93/56/92/857935692.db2.gz CANLOOFRRPEGJG-LJQANCHMSA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCCO)[C@@H]3CCc4ccccc43)n2)cc1 ZINC000114193371 857935697 /nfs/dbraw/zinc/93/56/97/857935697.db2.gz CANLOOFRRPEGJG-LJQANCHMSA-N 1 1 394.431 3.517 20 5 GHBDMO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)[C@H]1c1ccccc1 ZINC000301831246 858136766 /nfs/dbraw/zinc/13/67/66/858136766.db2.gz IETXVMOHJKTHTC-HUUCEWRRSA-N 1 1 377.242 3.610 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)[C@H]1c1ccccc1 ZINC000301831246 858136769 /nfs/dbraw/zinc/13/67/69/858136769.db2.gz IETXVMOHJKTHTC-HUUCEWRRSA-N 1 1 377.242 3.610 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000114642216 858146481 /nfs/dbraw/zinc/14/64/81/858146481.db2.gz HMHSGMGCGOFKLS-INIZCTEOSA-N 1 1 385.489 3.711 20 5 GHBDMO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000594489924 858189422 /nfs/dbraw/zinc/18/94/22/858189422.db2.gz HUPRYBACTCZTAK-HYFFOGBASA-N 1 1 395.503 3.981 20 5 GHBDMO C[C@H](O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000594614779 858242770 /nfs/dbraw/zinc/24/27/70/858242770.db2.gz KGJBCKYYUASHPB-NSHDSACASA-N 1 1 395.253 3.963 20 5 GHBDMO CC[N@@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000442961971 858271788 /nfs/dbraw/zinc/27/17/88/858271788.db2.gz JUOITKIJYTWJBT-INIZCTEOSA-N 1 1 389.839 3.751 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(N2CCC(OC)CC2)CCCC1 ZINC000595019017 858352910 /nfs/dbraw/zinc/35/29/10/858352910.db2.gz PJPSCURHBAABPL-MRXNPFEDSA-N 1 1 391.512 3.678 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000595023265 858354277 /nfs/dbraw/zinc/35/42/77/858354277.db2.gz UNWNKVIXIQHIRP-BZNIZROVSA-N 1 1 395.253 3.750 20 5 GHBDMO COc1ccc(C[NH2+][C@H](C)c2nccn2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594995479 858360685 /nfs/dbraw/zinc/36/06/85/858360685.db2.gz MBLCUVAJTTUGGN-OAHLLOKOSA-N 1 1 396.447 3.767 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000575202000 858601982 /nfs/dbraw/zinc/60/19/82/858601982.db2.gz KHDSNZPICHFNLA-MISYRCLQSA-N 1 1 389.496 3.637 20 5 GHBDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593093695 858635761 /nfs/dbraw/zinc/63/57/61/858635761.db2.gz DMSYUZVOGIPXJI-HNNXBMFYSA-N 1 1 391.468 3.510 20 5 GHBDMO CC(C)(C)OC(=O)CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000595719194 858657158 /nfs/dbraw/zinc/65/71/58/858657158.db2.gz PCBXUHKVXSNPKJ-UHFFFAOYSA-N 1 1 388.468 3.805 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595764327 858662309 /nfs/dbraw/zinc/66/23/09/858662309.db2.gz GYZUTNVJOSSRIE-BTYIYWSLSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595764327 858662314 /nfs/dbraw/zinc/66/23/14/858662314.db2.gz GYZUTNVJOSSRIE-BTYIYWSLSA-N 1 1 383.448 3.594 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595791053 858689640 /nfs/dbraw/zinc/68/96/40/858689640.db2.gz TXQFLPXGNFABNF-GLJUWKHASA-N 1 1 395.887 3.856 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595791053 858689646 /nfs/dbraw/zinc/68/96/46/858689646.db2.gz TXQFLPXGNFABNF-GLJUWKHASA-N 1 1 395.887 3.856 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909291 858715296 /nfs/dbraw/zinc/71/52/96/858715296.db2.gz LFFASAAHUACDGU-CALCHBBNSA-N 1 1 381.270 3.750 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909291 858715301 /nfs/dbraw/zinc/71/53/01/858715301.db2.gz LFFASAAHUACDGU-CALCHBBNSA-N 1 1 381.270 3.750 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000543173462 858727601 /nfs/dbraw/zinc/72/76/01/858727601.db2.gz VLHJVAVKQAMOMW-KUHUBIRLSA-N 1 1 399.447 3.634 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000543173462 858727608 /nfs/dbraw/zinc/72/76/08/858727608.db2.gz VLHJVAVKQAMOMW-KUHUBIRLSA-N 1 1 399.447 3.634 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000543181936 858757149 /nfs/dbraw/zinc/75/71/49/858757149.db2.gz RCUJGYXQKOSVDG-VFNWGFHPSA-N 1 1 395.459 3.576 20 5 GHBDMO CC(C)[C@H](CNC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429264993 858866153 /nfs/dbraw/zinc/86/61/53/858866153.db2.gz QVKGRCGUBDCARB-SFHVURJKSA-N 1 1 383.492 3.976 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593168803 858870299 /nfs/dbraw/zinc/87/02/99/858870299.db2.gz WNUJSSSEEKMCQM-SFHVURJKSA-N 1 1 382.464 3.602 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593168803 858870310 /nfs/dbraw/zinc/87/03/10/858870310.db2.gz WNUJSSSEEKMCQM-SFHVURJKSA-N 1 1 382.464 3.602 20 5 GHBDMO O=C(c1cc(NC[C@H]2CC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596557797 858934287 /nfs/dbraw/zinc/93/42/87/858934287.db2.gz LLDPUZSVUXIUCP-LJQANCHMSA-N 1 1 394.475 3.517 20 5 GHBDMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000301921203 858984070 /nfs/dbraw/zinc/98/40/70/858984070.db2.gz DNLVVPHQTJTEHX-CQSZACIVSA-N 1 1 397.401 3.596 20 5 GHBDMO COc1cc(F)c([N+](=O)[O-])c(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000301929649 858985057 /nfs/dbraw/zinc/98/50/57/858985057.db2.gz MFKRCHLURMTKMI-CQSZACIVSA-N 1 1 389.427 3.575 20 5 GHBDMO COc1cc(F)c([N+](=O)[O-])c(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000301929649 858985062 /nfs/dbraw/zinc/98/50/62/858985062.db2.gz MFKRCHLURMTKMI-CQSZACIVSA-N 1 1 389.427 3.575 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596956885 859194366 /nfs/dbraw/zinc/19/43/66/859194366.db2.gz ZNVIDMGTCZEFDY-FQEVSTJZSA-N 1 1 394.475 3.543 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000499718490 859253436 /nfs/dbraw/zinc/25/34/36/859253436.db2.gz CFKMVUISCGICJA-SFHVURJKSA-N 1 1 391.515 3.535 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC000856559748 881438669 /nfs/dbraw/zinc/43/86/69/881438669.db2.gz HWRBGOZJKNBCFR-GOSISDBHSA-N 1 1 390.509 3.545 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611204811 859649966 /nfs/dbraw/zinc/64/99/66/859649966.db2.gz IFILOBICHQDINJ-QZTJIDSGSA-N 1 1 389.521 3.986 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(C[C@@H]4CCCO4)CC3)s2)cc1 ZINC000611252808 859664591 /nfs/dbraw/zinc/66/45/91/859664591.db2.gz PRKSWOJCLLIMLM-SFHVURJKSA-N 1 1 387.505 3.620 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](C[C@@H]4CCCO4)CC3)s2)cc1 ZINC000611252808 859664594 /nfs/dbraw/zinc/66/45/94/859664594.db2.gz PRKSWOJCLLIMLM-SFHVURJKSA-N 1 1 387.505 3.620 20 5 GHBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611265573 859672904 /nfs/dbraw/zinc/67/29/04/859672904.db2.gz GEPXDCCQJIOZHP-UONOGXRCSA-N 1 1 377.510 3.794 20 5 GHBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611265573 859672906 /nfs/dbraw/zinc/67/29/06/859672906.db2.gz GEPXDCCQJIOZHP-UONOGXRCSA-N 1 1 377.510 3.794 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000161187049 859679615 /nfs/dbraw/zinc/67/96/15/859679615.db2.gz BMOZZXVWBNUNDI-KRWDZBQOSA-N 1 1 383.492 3.711 20 5 GHBDMO CCc1cc(N2CCC3(CCC[N@H+]3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611398609 859737523 /nfs/dbraw/zinc/73/75/23/859737523.db2.gz LQNGCHAYVGFMIW-UHFFFAOYSA-N 1 1 381.480 3.679 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000483992295 859753383 /nfs/dbraw/zinc/75/33/83/859753383.db2.gz DULHAFLMNIWQLD-UHFFFAOYSA-N 1 1 387.823 3.605 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000483992295 859753385 /nfs/dbraw/zinc/75/33/85/859753385.db2.gz DULHAFLMNIWQLD-UHFFFAOYSA-N 1 1 387.823 3.605 20 5 GHBDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000611555160 859804294 /nfs/dbraw/zinc/80/42/94/859804294.db2.gz PNGWMSAPWUVZNO-NWDGAFQWSA-N 1 1 387.358 3.556 20 5 GHBDMO CCC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146261 859832444 /nfs/dbraw/zinc/83/24/44/859832444.db2.gz NLRHGMJZDJBDKM-AKIFATBCSA-N 1 1 397.519 3.909 20 5 GHBDMO CCC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146261 859832453 /nfs/dbraw/zinc/83/24/53/859832453.db2.gz NLRHGMJZDJBDKM-AKIFATBCSA-N 1 1 397.519 3.909 20 5 GHBDMO CCC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146266 859832564 /nfs/dbraw/zinc/83/25/64/859832564.db2.gz NLRHGMJZDJBDKM-PUHATCMVSA-N 1 1 397.519 3.909 20 5 GHBDMO CCC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146266 859832571 /nfs/dbraw/zinc/83/25/71/859832571.db2.gz NLRHGMJZDJBDKM-PUHATCMVSA-N 1 1 397.519 3.909 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC001170347597 881470891 /nfs/dbraw/zinc/47/08/91/881470891.db2.gz SCNVFSWZEGKHLG-QAPCUYQASA-N 1 1 386.448 3.696 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000466529871 859880691 /nfs/dbraw/zinc/88/06/91/859880691.db2.gz PEHXGBPJHSUTRX-VQIMIIECSA-N 1 1 396.491 3.792 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170351589 881493254 /nfs/dbraw/zinc/49/32/54/881493254.db2.gz GJDDFQCPGSRPDE-ZBFHGGJFSA-N 1 1 378.469 3.731 20 5 GHBDMO O=[N+]([O-])c1c(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc2ccccn21 ZINC000765547008 860130152 /nfs/dbraw/zinc/13/01/52/860130152.db2.gz XTDBCZSTSLZTHI-OALUTQOASA-N 1 1 391.475 3.733 20 5 GHBDMO COc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000484645051 860214794 /nfs/dbraw/zinc/21/47/94/860214794.db2.gz RPKPKDLEYYVFKK-GFCCVEGCSA-N 1 1 377.828 3.888 20 5 GHBDMO COc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000484645051 860214798 /nfs/dbraw/zinc/21/47/98/860214798.db2.gz RPKPKDLEYYVFKK-GFCCVEGCSA-N 1 1 377.828 3.888 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1Br ZINC000602702062 860220203 /nfs/dbraw/zinc/22/02/03/860220203.db2.gz NIUQNQZTPFYMRI-ZWNOBZJWSA-N 1 1 375.288 3.810 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1Br ZINC000602702062 860220208 /nfs/dbraw/zinc/22/02/08/860220208.db2.gz NIUQNQZTPFYMRI-ZWNOBZJWSA-N 1 1 375.288 3.810 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[N@H+]1C ZINC000124086852 860225964 /nfs/dbraw/zinc/22/59/64/860225964.db2.gz NXMABBKAILUGCZ-HOTGVXAUSA-N 1 1 383.448 3.942 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598396343 860279301 /nfs/dbraw/zinc/27/93/01/860279301.db2.gz LGEUFETZQIDACD-IBGZPJMESA-N 1 1 393.487 3.935 20 5 GHBDMO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000474536731 860310375 /nfs/dbraw/zinc/31/03/75/860310375.db2.gz UVUIJIJTWMKLKI-MGPUTAFESA-N 1 1 385.439 3.966 20 5 GHBDMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000474536731 860310382 /nfs/dbraw/zinc/31/03/82/860310382.db2.gz UVUIJIJTWMKLKI-MGPUTAFESA-N 1 1 385.439 3.966 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2c1CCOC2)[C@H]1CC[C@H](O)CC1 ZINC000602852701 860315333 /nfs/dbraw/zinc/31/53/33/860315333.db2.gz GERTUKZAGYYDKL-MEMLXQNLSA-N 1 1 396.487 3.973 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000093684100 860331146 /nfs/dbraw/zinc/33/11/46/860331146.db2.gz MTGKFARVDKRWGI-KRWDZBQOSA-N 1 1 386.448 3.651 20 5 GHBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000093754023 860343285 /nfs/dbraw/zinc/34/32/85/860343285.db2.gz FMONKYGHBNPYBH-CQSZACIVSA-N 1 1 394.855 3.993 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H]2CCCn3nccc32)cc1OC ZINC000603029744 860438000 /nfs/dbraw/zinc/43/80/00/860438000.db2.gz NDCPKJFRMLWBQQ-GOEBONIOSA-N 1 1 388.468 3.850 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000155815336 860612999 /nfs/dbraw/zinc/61/29/99/860612999.db2.gz YOWIYCHEGNSWLD-MRXNPFEDSA-N 1 1 395.463 3.804 20 5 GHBDMO CC[N@H+](C)Cc1cc(O[C@H]2CCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593071 881566932 /nfs/dbraw/zinc/56/69/32/881566932.db2.gz ZIBRFOSCTRTZRQ-APWZRJJASA-N 1 1 384.480 3.656 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593071 881566938 /nfs/dbraw/zinc/56/69/38/881566938.db2.gz ZIBRFOSCTRTZRQ-APWZRJJASA-N 1 1 384.480 3.656 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000429022822 860722585 /nfs/dbraw/zinc/72/25/85/860722585.db2.gz TZGMKQWRAVVOMQ-KKSFZXQISA-N 1 1 391.512 3.556 20 5 GHBDMO COc1cc(C[NH2+]Cc2cccnc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000598995925 860729623 /nfs/dbraw/zinc/72/96/23/860729623.db2.gz KTSXTRBHTLXEHU-UHFFFAOYSA-N 1 1 385.342 3.538 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]ccc1-n1cc(C)cn1 ZINC000185537511 860743092 /nfs/dbraw/zinc/74/30/92/860743092.db2.gz BPIYMITWTUQWGO-INIZCTEOSA-N 1 1 379.420 3.691 20 5 GHBDMO O=C(c1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000599127064 860807971 /nfs/dbraw/zinc/80/79/71/860807971.db2.gz NHMAAEMGQFSANL-SFHVURJKSA-N 1 1 386.496 3.650 20 5 GHBDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000603603843 860891814 /nfs/dbraw/zinc/89/18/14/860891814.db2.gz XQFRAYFBADYYPR-LIVBEALHSA-N 1 1 386.448 3.716 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000481327023 861069629 /nfs/dbraw/zinc/06/96/29/861069629.db2.gz XZQVLUALPBPVLX-MOPGFXCFSA-N 1 1 381.432 3.744 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000603738829 861103290 /nfs/dbraw/zinc/10/32/90/861103290.db2.gz BPKSPACYNUPGCU-UHFFFAOYSA-N 1 1 393.443 3.998 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444123059 863490899 /nfs/dbraw/zinc/49/08/99/863490899.db2.gz LJNSDPWXUAQKBZ-OAHLLOKOSA-N 1 1 395.478 3.624 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC001126576191 863539083 /nfs/dbraw/zinc/53/90/83/863539083.db2.gz LDVTUZXBHIKUBH-FQEVSTJZSA-N 1 1 399.516 3.982 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444183056 863620022 /nfs/dbraw/zinc/62/00/22/863620022.db2.gz MAWWHXGENQBDFK-DYVFJYSZSA-N 1 1 386.477 3.921 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H]2CCC[C@@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444183056 863620028 /nfs/dbraw/zinc/62/00/28/863620028.db2.gz MAWWHXGENQBDFK-DYVFJYSZSA-N 1 1 386.477 3.921 20 5 GHBDMO CC[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000522876174 863622868 /nfs/dbraw/zinc/62/28/68/863622868.db2.gz YGRYURDCGHWWPT-SFHVURJKSA-N 1 1 387.867 3.815 20 5 GHBDMO C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC000172813650 863985341 /nfs/dbraw/zinc/98/53/41/863985341.db2.gz AIKIAVMMJIYINT-MRXNPFEDSA-N 1 1 394.475 3.580 20 5 GHBDMO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184328989 864370092 /nfs/dbraw/zinc/37/00/92/864370092.db2.gz KNLLYZVLLNRLIA-FUHWJXTLSA-N 1 1 399.466 3.818 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CCN2CCO[C@@H](CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000494481553 881780472 /nfs/dbraw/zinc/78/04/72/881780472.db2.gz GYTUIEIQMWRVJB-PZJWPPBQSA-N 1 1 387.480 3.540 20 5 GHBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475215177 864584000 /nfs/dbraw/zinc/58/40/00/864584000.db2.gz QDKRHPMXQSHISH-ZDUSSCGKSA-N 1 1 388.390 3.952 20 5 GHBDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CCO2 ZINC000475292929 864704464 /nfs/dbraw/zinc/70/44/64/864704464.db2.gz VIAOADNUFLBOBM-BFUOFWGJSA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CCO2 ZINC000475292929 864704478 /nfs/dbraw/zinc/70/44/78/864704478.db2.gz VIAOADNUFLBOBM-BFUOFWGJSA-N 1 1 392.839 3.888 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475306216 864743948 /nfs/dbraw/zinc/74/39/48/864743948.db2.gz YMJSIASVZREPIZ-MRXNPFEDSA-N 1 1 385.489 3.663 20 5 GHBDMO COC(=O)c1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1[N+](=O)[O-] ZINC000480511558 864766255 /nfs/dbraw/zinc/76/62/55/864766255.db2.gz LOSQNDFQLCAKTP-QGZVFWFLSA-N 1 1 383.448 3.624 20 5 GHBDMO C[C@@H](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000173594504 864893106 /nfs/dbraw/zinc/89/31/06/864893106.db2.gz ZWBGKRVBZLOWCC-AWEZNQCLSA-N 1 1 375.856 3.889 20 5 GHBDMO C[C@H](CCNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000173614995 864905176 /nfs/dbraw/zinc/90/51/76/864905176.db2.gz XFDJRPUOWHEMLD-CYBMUJFWSA-N 1 1 377.391 3.513 20 5 GHBDMO COc1ccc([C@H]2[C@H](COC(=O)c3cccc([N+](=O)[O-])c3)CCC[N@H+]2C)cc1 ZINC000735898368 865038012 /nfs/dbraw/zinc/03/80/12/865038012.db2.gz HMCJMBNDCBTEKE-PXNSSMCTSA-N 1 1 384.432 3.843 20 5 GHBDMO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)CCC2 ZINC000192826315 865096039 /nfs/dbraw/zinc/09/60/39/865096039.db2.gz GTLKJKJCLUDRFV-HNNXBMFYSA-N 1 1 388.420 3.849 20 5 GHBDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000736597252 865247056 /nfs/dbraw/zinc/24/70/56/865247056.db2.gz WNXAYKWUSVNHAU-YOEHRIQHSA-N 1 1 381.411 3.828 20 5 GHBDMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128479130 865435417 /nfs/dbraw/zinc/43/54/17/865435417.db2.gz GKULUKXMFLWAOQ-LIRRHRJNSA-N 1 1 387.411 3.525 20 5 GHBDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128479130 865435426 /nfs/dbraw/zinc/43/54/26/865435426.db2.gz GKULUKXMFLWAOQ-LIRRHRJNSA-N 1 1 387.411 3.525 20 5 GHBDMO CCCCCC[C@@](O)(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC ZINC001170425259 881915106 /nfs/dbraw/zinc/91/51/06/881915106.db2.gz SIAVZXWSGWGYTF-GHTZIAJQSA-N 1 1 392.496 3.649 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(F)c(Cl)c1 ZINC000763822615 866014873 /nfs/dbraw/zinc/01/48/73/866014873.db2.gz DXXDQUDZUGDQHU-UHFFFAOYSA-N 1 1 383.782 3.987 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185493385 866146708 /nfs/dbraw/zinc/14/67/08/866146708.db2.gz CASQXXWEOCVQKJ-HLLBOEOZSA-N 1 1 385.439 3.617 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000456297073 866361599 /nfs/dbraw/zinc/36/15/99/866361599.db2.gz BVVWAHZPFCUBIY-KRWDZBQOSA-N 1 1 397.475 3.588 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000121435046 866374200 /nfs/dbraw/zinc/37/42/00/866374200.db2.gz FSDRXUHYWVAMJF-UKRRQHHQSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000121435046 866374213 /nfs/dbraw/zinc/37/42/13/866374213.db2.gz FSDRXUHYWVAMJF-UKRRQHHQSA-N 1 1 387.411 3.559 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065308442 866402039 /nfs/dbraw/zinc/40/20/39/866402039.db2.gz FUPSQJITSCGYBE-CQSZACIVSA-N 1 1 388.493 3.713 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000475581286 866421281 /nfs/dbraw/zinc/42/12/81/866421281.db2.gz NVYFEZZOTCNDPL-KRWDZBQOSA-N 1 1 382.464 3.950 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000475581286 866421287 /nfs/dbraw/zinc/42/12/87/866421287.db2.gz NVYFEZZOTCNDPL-KRWDZBQOSA-N 1 1 382.464 3.950 20 5 GHBDMO CSc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000456334035 866491599 /nfs/dbraw/zinc/49/15/99/866491599.db2.gz LWWXYZCODYTLGQ-MRXNPFEDSA-N 1 1 399.516 3.911 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248774767 866491636 /nfs/dbraw/zinc/49/16/36/866491636.db2.gz WARHCOZMZFAHHT-SZNDQCEHSA-N 1 1 392.415 3.837 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248774767 866491648 /nfs/dbraw/zinc/49/16/48/866491648.db2.gz WARHCOZMZFAHHT-SZNDQCEHSA-N 1 1 392.415 3.837 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000534343996 866588592 /nfs/dbraw/zinc/58/85/92/866588592.db2.gz FJAVKTTUAYLCGX-QGZVFWFLSA-N 1 1 386.448 3.828 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H]1c1cccs1 ZINC000741606862 866654845 /nfs/dbraw/zinc/65/48/45/866654845.db2.gz RSPXLQKUNDFNRG-SJKOYZFVSA-N 1 1 377.441 3.608 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000553171361 866903061 /nfs/dbraw/zinc/90/30/61/866903061.db2.gz WREFGTJCFMXNLN-QFIPXVFZSA-N 1 1 379.460 3.641 20 5 GHBDMO O=[N+]([O-])c1cn(C[NH+]2CCC(Cc3ccccc3)CC2)nc1-c1ccncc1 ZINC000742144433 867079616 /nfs/dbraw/zinc/07/96/16/867079616.db2.gz KTEQULXMLPFAHE-UHFFFAOYSA-N 1 1 377.448 3.766 20 5 GHBDMO C[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@@H]1c1ccccc1 ZINC000742166435 867090651 /nfs/dbraw/zinc/09/06/51/867090651.db2.gz PSWPILHHKBSGKV-LPHOPBHVSA-N 1 1 377.448 3.936 20 5 GHBDMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c2)C1 ZINC000857164955 882072369 /nfs/dbraw/zinc/07/23/69/882072369.db2.gz UZXHOIGZYKPJOP-GOSISDBHSA-N 1 1 379.460 3.603 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H]1c1ccccc1 ZINC000534754722 867383887 /nfs/dbraw/zinc/38/38/87/867383887.db2.gz QXTGLGZOAXBTRW-LPHOPBHVSA-N 1 1 381.457 3.985 20 5 GHBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccc(Br)cc1 ZINC000609315860 882129772 /nfs/dbraw/zinc/12/97/72/882129772.db2.gz GDCLNGCWHFVSFZ-UHFFFAOYSA-N 1 1 379.254 3.911 20 5 GHBDMO C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@@H+](C)Cc1ccccc1 ZINC000445188775 867912620 /nfs/dbraw/zinc/91/26/20/867912620.db2.gz OSKWBTIEIWGIAM-QGZVFWFLSA-N 1 1 399.494 3.932 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000553832544 868329321 /nfs/dbraw/zinc/32/93/21/868329321.db2.gz LEQLIBXDMFDWEW-IBGZPJMESA-N 1 1 399.447 3.560 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000553832544 868329336 /nfs/dbraw/zinc/32/93/36/868329336.db2.gz LEQLIBXDMFDWEW-IBGZPJMESA-N 1 1 399.447 3.560 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000743782710 868411616 /nfs/dbraw/zinc/41/16/16/868411616.db2.gz ZHQIAYGWAMIZMB-QGZVFWFLSA-N 1 1 385.439 3.718 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000535276110 868508479 /nfs/dbraw/zinc/50/84/79/868508479.db2.gz OSDLRWDQTLAHGM-IBGZPJMESA-N 1 1 397.475 3.736 20 5 GHBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[N@@H+](C)C1CC1 ZINC000524360359 868966540 /nfs/dbraw/zinc/96/65/40/868966540.db2.gz MHZAFESAFSRKDZ-AWEZNQCLSA-N 1 1 385.489 3.959 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000445892831 869120170 /nfs/dbraw/zinc/12/01/70/869120170.db2.gz FNUPMIKHPOCXLA-MRXNPFEDSA-N 1 1 388.512 3.563 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000440909633 869218839 /nfs/dbraw/zinc/21/88/39/869218839.db2.gz AXCOWNHYCRJWNZ-RHSMWYFYSA-N 1 1 380.448 3.693 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000440909635 869219238 /nfs/dbraw/zinc/21/92/38/869219238.db2.gz AXCOWNHYCRJWNZ-WMLDXEAASA-N 1 1 380.448 3.693 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000524645331 869375951 /nfs/dbraw/zinc/37/59/51/869375951.db2.gz NRTFFDDUICVHEJ-SJKOYZFVSA-N 1 1 377.441 3.608 20 5 GHBDMO C[C@@]1(O)CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000539818558 869845413 /nfs/dbraw/zinc/84/54/13/869845413.db2.gz WXBFTWBAOAEXEJ-JOCHJYFZSA-N 1 1 392.459 3.794 20 5 GHBDMO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(C)c1OC(F)F ZINC000539835915 869877096 /nfs/dbraw/zinc/87/70/96/869877096.db2.gz NOZYIOGPPBRYJE-OAHLLOKOSA-N 1 1 392.406 3.894 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)c(C)c1[N+](=O)[O-] ZINC000920757953 882359557 /nfs/dbraw/zinc/35/95/57/882359557.db2.gz KSQDQCJFJNIICB-INIZCTEOSA-N 1 1 393.285 3.835 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000539909998 870009343 /nfs/dbraw/zinc/00/93/43/870009343.db2.gz MHOJBMYKIDMDDE-LPHOPBHVSA-N 1 1 390.461 3.570 20 5 GHBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195490 870148554 /nfs/dbraw/zinc/14/85/54/870148554.db2.gz FEWWRCFGJRDCAV-QFBILLFUSA-N 1 1 399.491 3.755 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195490 870148562 /nfs/dbraw/zinc/14/85/62/870148562.db2.gz FEWWRCFGJRDCAV-QFBILLFUSA-N 1 1 399.491 3.755 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000525197720 870151439 /nfs/dbraw/zinc/15/14/39/870151439.db2.gz QVGFBSYWGFQSML-UHFFFAOYSA-N 1 1 387.402 3.806 20 5 GHBDMO CCc1cc(N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462858428 870232352 /nfs/dbraw/zinc/23/23/52/870232352.db2.gz YNZODEHQRCQYRG-KXBFYZLASA-N 1 1 383.496 3.781 20 5 GHBDMO CCc1cc(N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462858425 870232444 /nfs/dbraw/zinc/23/24/44/870232444.db2.gz YNZODEHQRCQYRG-BEFAXECRSA-N 1 1 383.496 3.781 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000462876072 870273338 /nfs/dbraw/zinc/27/33/38/870273338.db2.gz IYOUMQBBTCKKKH-NYVOZVTQSA-N 1 1 395.503 3.985 20 5 GHBDMO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000441074333 870275393 /nfs/dbraw/zinc/27/53/93/870275393.db2.gz UIUILWPVLTWOEM-IIBYNOLFSA-N 1 1 376.460 3.907 20 5 GHBDMO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000441074333 870275412 /nfs/dbraw/zinc/27/54/12/870275412.db2.gz UIUILWPVLTWOEM-IIBYNOLFSA-N 1 1 376.460 3.907 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c(F)c1 ZINC000540054472 870316412 /nfs/dbraw/zinc/31/64/12/870316412.db2.gz RSDLAPGQBIOMBA-AWEZNQCLSA-N 1 1 385.317 3.801 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c(F)c1 ZINC000540054472 870316422 /nfs/dbraw/zinc/31/64/22/870316422.db2.gz RSDLAPGQBIOMBA-AWEZNQCLSA-N 1 1 385.317 3.801 20 5 GHBDMO C[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538717346 870406177 /nfs/dbraw/zinc/40/61/77/870406177.db2.gz VMZYLBPUJBXOMU-MRXNPFEDSA-N 1 1 391.475 3.836 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccccc3OCC(F)(F)F)nc2c1 ZINC000446836426 870521804 /nfs/dbraw/zinc/52/18/04/870521804.db2.gz QRNGUCURPGNDJM-UHFFFAOYSA-N 1 1 380.326 3.702 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(Cl)c1 ZINC000525373554 870574367 /nfs/dbraw/zinc/57/43/67/870574367.db2.gz FDTSRGIKFVBLMF-YJBOKZPZSA-N 1 1 375.856 3.543 20 5 GHBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000153429726 871054194 /nfs/dbraw/zinc/05/41/94/871054194.db2.gz QYAHNLYPLJERGM-AWEZNQCLSA-N 1 1 379.888 3.719 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169013715 871098191 /nfs/dbraw/zinc/09/81/91/871098191.db2.gz WANPGLIAWGZIFV-ZWOKBUDYSA-N 1 1 381.517 3.687 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](C2CC2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169054550 871134114 /nfs/dbraw/zinc/13/41/14/871134114.db2.gz MPDOTNJSVRVTEQ-RYRKJORJSA-N 1 1 381.517 3.543 20 5 GHBDMO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169055831 871137182 /nfs/dbraw/zinc/13/71/82/871137182.db2.gz QTZYKEKAMWCYFN-CTNGQTDRSA-N 1 1 382.460 3.921 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cnc(F)cc1C ZINC001193630705 871198113 /nfs/dbraw/zinc/19/81/13/871198113.db2.gz ANXMZDSRQNBWHJ-UHFFFAOYSA-N 1 1 390.418 3.786 20 5 GHBDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001194021145 871438367 /nfs/dbraw/zinc/43/83/67/871438367.db2.gz YGQDUWNLRUQKNF-SFHVURJKSA-N 1 1 394.859 3.671 20 5 GHBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000447390235 871521177 /nfs/dbraw/zinc/52/11/77/871521177.db2.gz FLITUXFICABNHH-SFHVURJKSA-N 1 1 388.411 3.986 20 5 GHBDMO C[C@@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000539238842 871575391 /nfs/dbraw/zinc/57/53/91/871575391.db2.gz JKXPZSMCIGFARN-OAHLLOKOSA-N 1 1 382.464 3.671 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC(F)F ZINC000539269199 871592505 /nfs/dbraw/zinc/59/25/05/871592505.db2.gz BLYUGPVZIGNPDF-JTQLQIEISA-N 1 1 396.346 3.784 20 5 GHBDMO CC[C@H](NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001194263059 871597568 /nfs/dbraw/zinc/59/75/68/871597568.db2.gz STARNQYQEWSOLR-SFHVURJKSA-N 1 1 389.883 3.990 20 5 GHBDMO CC[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001194263059 871597577 /nfs/dbraw/zinc/59/75/77/871597577.db2.gz STARNQYQEWSOLR-SFHVURJKSA-N 1 1 389.883 3.990 20 5 GHBDMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182042978 871749534 /nfs/dbraw/zinc/74/95/34/871749534.db2.gz UTAWMORIHBSMDF-CQSZACIVSA-N 1 1 390.403 3.681 20 5 GHBDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001169674921 871779489 /nfs/dbraw/zinc/77/94/89/871779489.db2.gz GAFNEAOGMJKPQB-INIZCTEOSA-N 1 1 387.455 3.839 20 5 GHBDMO CCOc1ccccc1C[N@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001169674921 871779499 /nfs/dbraw/zinc/77/94/99/871779499.db2.gz GAFNEAOGMJKPQB-INIZCTEOSA-N 1 1 387.455 3.839 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000462181615 871780330 /nfs/dbraw/zinc/78/03/30/871780330.db2.gz KWTPGSGNTIXSJB-KDOFPFPSSA-N 1 1 379.416 3.591 20 5 GHBDMO Cc1cccc(S(=O)(=O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000463481834 871859783 /nfs/dbraw/zinc/85/97/83/871859783.db2.gz GSKSANMUNXJRJH-UHFFFAOYSA-N 1 1 390.505 3.978 20 5 GHBDMO Cc1cccc(S(=O)(=O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000463481834 871859802 /nfs/dbraw/zinc/85/98/02/871859802.db2.gz GSKSANMUNXJRJH-UHFFFAOYSA-N 1 1 390.505 3.978 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000182170599 871938954 /nfs/dbraw/zinc/93/89/54/871938954.db2.gz KWNDHCIJSXPNQI-UHFFFAOYSA-N 1 1 396.468 3.748 20 5 GHBDMO CCOc1cc(N2CC[NH+](CCc3ccc(F)c(F)c3)CC2)ccc1[N+](=O)[O-] ZINC001169906967 872002213 /nfs/dbraw/zinc/00/22/13/872002213.db2.gz AZEVXVMQFJPOTL-UHFFFAOYSA-N 1 1 391.418 3.636 20 5 GHBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000447657628 872043895 /nfs/dbraw/zinc/04/38/95/872043895.db2.gz URMKJAXHYMZLGG-UHFFFAOYSA-N 1 1 377.488 3.571 20 5 GHBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000447657628 872043913 /nfs/dbraw/zinc/04/39/13/872043913.db2.gz URMKJAXHYMZLGG-UHFFFAOYSA-N 1 1 377.488 3.571 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000447669142 872068028 /nfs/dbraw/zinc/06/80/28/872068028.db2.gz DZFZSZHCVKOFJL-UHFFFAOYSA-N 1 1 379.363 3.947 20 5 GHBDMO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000447932567 872567422 /nfs/dbraw/zinc/56/74/22/872567422.db2.gz ZNCCNKHNBAVJRD-QRWLVFNGSA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000447932567 872567427 /nfs/dbraw/zinc/56/74/27/872567427.db2.gz ZNCCNKHNBAVJRD-QRWLVFNGSA-N 1 1 390.867 3.790 20 5 GHBDMO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C(N)=O)cc3[N+](=O)[O-])oc21 ZINC000182656292 872633164 /nfs/dbraw/zinc/63/31/64/872633164.db2.gz XZWSZKOVKMJCGF-GFCCVEGCSA-N 1 1 383.404 3.689 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC001195808871 872678542 /nfs/dbraw/zinc/67/85/42/872678542.db2.gz DKUAVKCZSRGNRG-HUUCEWRRSA-N 1 1 383.448 3.592 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3nc(C)cc(C)c3[N+](=O)[O-])CC2)cs1 ZINC000541006031 872733018 /nfs/dbraw/zinc/73/30/18/872733018.db2.gz VBYZDJAJUMMBCG-UHFFFAOYSA-N 1 1 389.525 3.950 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000619570350 872748643 /nfs/dbraw/zinc/74/86/43/872748643.db2.gz WMKXUXRWYYFGNH-HNNXBMFYSA-N 1 1 384.480 3.656 20 5 GHBDMO COC(=O)c1cnc(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000478296089 872815930 /nfs/dbraw/zinc/81/59/30/872815930.db2.gz CKDOVNOVXMRTGK-OAHLLOKOSA-N 1 1 398.463 3.763 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000541053326 872840158 /nfs/dbraw/zinc/84/01/58/872840158.db2.gz DPYCGZGWKPSKLK-AWEZNQCLSA-N 1 1 385.645 3.834 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000463946496 872929704 /nfs/dbraw/zinc/92/97/04/872929704.db2.gz AAKGZYSFZGWGLQ-INIZCTEOSA-N 1 1 382.464 3.780 20 5 GHBDMO C[C@@H](c1cccc(F)c1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460352994 872938589 /nfs/dbraw/zinc/93/85/89/872938589.db2.gz OYRGRDSWKDENDF-AWEZNQCLSA-N 1 1 383.427 3.884 20 5 GHBDMO COc1ccc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000541107512 872948388 /nfs/dbraw/zinc/94/83/88/872948388.db2.gz SFLYQIYQJAPMSO-HNNXBMFYSA-N 1 1 386.452 3.636 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001196216476 872958883 /nfs/dbraw/zinc/95/88/83/872958883.db2.gz DEDIFPKMBXOPJZ-WBVHZDCISA-N 1 1 393.484 3.599 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448253747 873098789 /nfs/dbraw/zinc/09/87/89/873098789.db2.gz BVTHHRHDMJFNCN-GOSISDBHSA-N 1 1 376.501 3.635 20 5 GHBDMO COc1ccc(C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)CCCO)cc1 ZINC001196683145 873282780 /nfs/dbraw/zinc/28/27/80/873282780.db2.gz CARQWIBPWBLKEX-HNNXBMFYSA-N 1 1 376.428 3.906 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)CCCO)cc1 ZINC001196683145 873282785 /nfs/dbraw/zinc/28/27/85/873282785.db2.gz CARQWIBPWBLKEX-HNNXBMFYSA-N 1 1 376.428 3.906 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000541389167 873459587 /nfs/dbraw/zinc/45/95/87/873459587.db2.gz OLSCJXSKYSINNS-INIZCTEOSA-N 1 1 383.448 3.648 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000541389167 873459591 /nfs/dbraw/zinc/45/95/91/873459591.db2.gz OLSCJXSKYSINNS-INIZCTEOSA-N 1 1 383.448 3.648 20 5 GHBDMO CCOC(=O)c1sc([C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nc1C ZINC001197402023 873770221 /nfs/dbraw/zinc/77/02/21/873770221.db2.gz FBROEHQVXIVXAI-OAHLLOKOSA-N 1 1 389.477 3.568 20 5 GHBDMO O=C(C[N@@H+]1CCCSC[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001197368589 873776257 /nfs/dbraw/zinc/77/62/57/873776257.db2.gz IXETXKZVCPGBPQ-FQEVSTJZSA-N 1 1 397.500 3.664 20 5 GHBDMO O=C(C[N@H+]1CCCSC[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001197368589 873776264 /nfs/dbraw/zinc/77/62/64/873776264.db2.gz IXETXKZVCPGBPQ-FQEVSTJZSA-N 1 1 397.500 3.664 20 5 GHBDMO O=C(C[N@@H+]1CCCSC[C@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001197368713 873777852 /nfs/dbraw/zinc/77/78/52/873777852.db2.gz LNZKJGLXTJQGRZ-FQEVSTJZSA-N 1 1 397.500 3.664 20 5 GHBDMO O=C(C[N@H+]1CCCSC[C@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001197368713 873777857 /nfs/dbraw/zinc/77/78/57/873777857.db2.gz LNZKJGLXTJQGRZ-FQEVSTJZSA-N 1 1 397.500 3.664 20 5 GHBDMO C[N@@H+](CCOC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769131306 873831811 /nfs/dbraw/zinc/83/18/11/873831811.db2.gz CRPVOYKQUMRYHO-UHFFFAOYSA-N 1 1 398.337 3.624 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000448773291 873948804 /nfs/dbraw/zinc/94/88/04/873948804.db2.gz HCASVWNJBILPMH-LPHOPBHVSA-N 1 1 395.459 3.509 20 5 GHBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000769405504 874026411 /nfs/dbraw/zinc/02/64/11/874026411.db2.gz ZWWGDNREZWJEAA-NSHDSACASA-N 1 1 389.399 3.541 20 5 GHBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000769405504 874026424 /nfs/dbraw/zinc/02/64/24/874026424.db2.gz ZWWGDNREZWJEAA-NSHDSACASA-N 1 1 389.399 3.541 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(F)c1 ZINC001197776628 874039913 /nfs/dbraw/zinc/03/99/13/874039913.db2.gz CBGGRBLVRONXAN-SJLPKXTDSA-N 1 1 397.372 3.886 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000541780509 874252102 /nfs/dbraw/zinc/25/21/02/874252102.db2.gz MKSXBBBRRDVPNN-INIZCTEOSA-N 1 1 380.807 3.812 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001198183099 874267269 /nfs/dbraw/zinc/26/72/69/874267269.db2.gz CALYCGWFDNWHNU-JXFKEZNVSA-N 1 1 375.469 3.864 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCC[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001198183099 874267281 /nfs/dbraw/zinc/26/72/81/874267281.db2.gz CALYCGWFDNWHNU-JXFKEZNVSA-N 1 1 375.469 3.864 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](CCc2cccs2)CC1 ZINC000769999829 874394920 /nfs/dbraw/zinc/39/49/20/874394920.db2.gz YZRUHQLDRYFOPT-UHFFFAOYSA-N 1 1 394.884 3.702 20 5 GHBDMO CCc1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC001198850648 874655307 /nfs/dbraw/zinc/65/53/07/874655307.db2.gz ADTNMEQKLCQCNW-UHFFFAOYSA-N 1 1 383.448 3.553 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000770385705 874670679 /nfs/dbraw/zinc/67/06/79/874670679.db2.gz KGDQQADHOBUDAZ-FEPMCFLQSA-N 1 1 375.469 3.843 20 5 GHBDMO COc1cccc(C2([NH2+]Cc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000271733239 874905697 /nfs/dbraw/zinc/90/56/97/874905697.db2.gz SVMHAKWACHTOAL-UHFFFAOYSA-N 1 1 394.374 3.992 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](O)(C(F)F)C2)ccc1Oc1ccc(F)cc1 ZINC000449478903 874912250 /nfs/dbraw/zinc/91/22/50/874912250.db2.gz YXNGJHQIMLUTFW-GOSISDBHSA-N 1 1 382.338 3.728 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)ccc1Oc1ccc(F)cc1 ZINC000449478903 874912260 /nfs/dbraw/zinc/91/22/60/874912260.db2.gz YXNGJHQIMLUTFW-GOSISDBHSA-N 1 1 382.338 3.728 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(-c2ccncc2)n1 ZINC000449506244 874970804 /nfs/dbraw/zinc/97/08/04/874970804.db2.gz YUJFRWMTXHZALS-SFHVURJKSA-N 1 1 377.448 3.770 20 5 GHBDMO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449525949 875000558 /nfs/dbraw/zinc/00/05/58/875000558.db2.gz CUXIADJZSWOVDD-CQSZACIVSA-N 1 1 394.518 3.722 20 5 GHBDMO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449525949 875000578 /nfs/dbraw/zinc/00/05/78/875000578.db2.gz CUXIADJZSWOVDD-CQSZACIVSA-N 1 1 394.518 3.722 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000771412751 875222575 /nfs/dbraw/zinc/22/25/75/875222575.db2.gz FZACJAUJMYQCRO-YFHOEESVSA-N 1 1 385.508 3.969 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000542252175 875222762 /nfs/dbraw/zinc/22/27/62/875222762.db2.gz HKTFJYQIHAFBBH-MGPUTAFESA-N 1 1 383.448 3.649 20 5 GHBDMO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542280514 875294891 /nfs/dbraw/zinc/29/48/91/875294891.db2.gz PILWWNSSGGNJFZ-GOSISDBHSA-N 1 1 390.505 3.630 20 5 GHBDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542280514 875294899 /nfs/dbraw/zinc/29/48/99/875294899.db2.gz PILWWNSSGGNJFZ-GOSISDBHSA-N 1 1 390.505 3.630 20 5 GHBDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542282329 875299979 /nfs/dbraw/zinc/29/99/79/875299979.db2.gz REFUMULLFCOGKO-RHSMWYFYSA-N 1 1 378.856 3.551 20 5 GHBDMO Cc1ccc([C@H]2CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000542317626 875358955 /nfs/dbraw/zinc/35/89/55/875358955.db2.gz CSTOOWIVPZDJEV-KRWDZBQOSA-N 1 1 381.432 3.691 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c2c(c1)COCO2 ZINC000449767446 875364900 /nfs/dbraw/zinc/36/49/00/875364900.db2.gz QGLLEUPDHOSCKC-GOSISDBHSA-N 1 1 390.461 3.516 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491396498 875666283 /nfs/dbraw/zinc/66/62/83/875666283.db2.gz PDROXKWEEZAOLD-GOSISDBHSA-N 1 1 386.496 3.533 20 5 GHBDMO O=[N+]([O-])c1cccc2c1ccnc2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000450435527 876424856 /nfs/dbraw/zinc/42/48/56/876424856.db2.gz OYNRKBZUIRJJCT-GOSISDBHSA-N 1 1 392.459 3.712 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000609211392 883058077 /nfs/dbraw/zinc/05/80/77/883058077.db2.gz CBZKAOUYFYDHDI-QGZVFWFLSA-N 1 1 396.491 3.962 20 5 GHBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000492373731 876731958 /nfs/dbraw/zinc/73/19/58/876731958.db2.gz FMQKMLYZAZEZFW-UHFFFAOYSA-N 1 1 381.457 3.768 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000123101575 883063778 /nfs/dbraw/zinc/06/37/78/883063778.db2.gz UDRNIPHDXUNQHR-INIZCTEOSA-N 1 1 398.463 3.732 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000609974811 877234402 /nfs/dbraw/zinc/23/44/02/877234402.db2.gz AGDCXISGRSFZEH-HZPDHXFCSA-N 1 1 383.448 3.765 20 5 GHBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000064724878 877343075 /nfs/dbraw/zinc/34/30/75/877343075.db2.gz BVLALQVCBQEGFD-LSDHHAIUSA-N 1 1 397.903 3.786 20 5 GHBDMO COC(=O)C1(c2ccccc2)CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493004662 877969686 /nfs/dbraw/zinc/96/96/86/877969686.db2.gz PWQAYRYWXIDFFX-UHFFFAOYSA-N 1 1 388.851 3.955 20 5 GHBDMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550826 878130037 /nfs/dbraw/zinc/13/00/37/878130037.db2.gz SEJVRGVFWWIBTO-DOTOQJQBSA-N 1 1 399.516 3.809 20 5 GHBDMO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451578744 878187426 /nfs/dbraw/zinc/18/74/26/878187426.db2.gz XMCAOXLAXDXQGW-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451578744 878187429 /nfs/dbraw/zinc/18/74/29/878187429.db2.gz XMCAOXLAXDXQGW-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO CO[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C[C@H]1C ZINC000451578371 878188761 /nfs/dbraw/zinc/18/87/61/878188761.db2.gz XCNPHMWOZHGXPX-MAODMQOUSA-N 1 1 397.475 3.940 20 5 GHBDMO CO[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C[C@H]1C ZINC000451578371 878188766 /nfs/dbraw/zinc/18/87/66/878188766.db2.gz XCNPHMWOZHGXPX-MAODMQOUSA-N 1 1 397.475 3.940 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000776582041 878199189 /nfs/dbraw/zinc/19/91/89/878199189.db2.gz OTDXDDJPVUETMM-RBUKOAKNSA-N 1 1 394.431 3.905 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000776582041 878199193 /nfs/dbraw/zinc/19/91/93/878199193.db2.gz OTDXDDJPVUETMM-RBUKOAKNSA-N 1 1 394.431 3.905 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000776592467 878304085 /nfs/dbraw/zinc/30/40/85/878304085.db2.gz OTUMDSKKGMMHOH-WTNAPCKOSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000776592467 878304103 /nfs/dbraw/zinc/30/41/03/878304103.db2.gz OTUMDSKKGMMHOH-WTNAPCKOSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000776592467 878304118 /nfs/dbraw/zinc/30/41/18/878304118.db2.gz OTUMDSKKGMMHOH-WTNAPCKOSA-N 1 1 383.492 3.613 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000537858424 878401620 /nfs/dbraw/zinc/40/16/20/878401620.db2.gz ZQACVNQALQNPSS-OAHLLOKOSA-N 1 1 397.353 3.671 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000537858424 878401626 /nfs/dbraw/zinc/40/16/26/878401626.db2.gz ZQACVNQALQNPSS-OAHLLOKOSA-N 1 1 397.353 3.671 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451855435 878569258 /nfs/dbraw/zinc/56/92/58/878569258.db2.gz ORZFVAIKBQCSQV-SFHVURJKSA-N 1 1 383.404 3.713 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451855435 878569275 /nfs/dbraw/zinc/56/92/75/878569275.db2.gz ORZFVAIKBQCSQV-SFHVURJKSA-N 1 1 383.404 3.713 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000616119240 878579946 /nfs/dbraw/zinc/57/99/46/878579946.db2.gz SLPDRZPNOQPQPH-SFHVURJKSA-N 1 1 382.464 3.950 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000538142917 878887737 /nfs/dbraw/zinc/88/77/37/878887737.db2.gz DPEVJAWFUZFDET-NWDGAFQWSA-N 1 1 379.363 3.874 20 5 GHBDMO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460972437 878894586 /nfs/dbraw/zinc/89/45/86/878894586.db2.gz YEQUKLXEABQATA-DYESRHJHSA-N 1 1 381.476 3.821 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000538236341 879099521 /nfs/dbraw/zinc/09/95/21/879099521.db2.gz KHZASVKAUPQVKA-GJZGRUSLSA-N 1 1 379.526 3.946 20 5 GHBDMO C[N@@H+](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCCC1 ZINC000068902946 879182413 /nfs/dbraw/zinc/18/24/13/879182413.db2.gz UWZRDPXFJSRUKJ-UHFFFAOYSA-N 1 1 391.515 3.535 20 5 GHBDMO CN1CCN(c2cc[nH+]c(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])c2)CC1 ZINC001183282992 912427973 /nfs/dbraw/zinc/42/79/73/912427973.db2.gz YJLUPYNCHRELIR-UHFFFAOYSA-N 1 1 396.278 3.661 20 5 GHBDMO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000789772206 879286626 /nfs/dbraw/zinc/28/66/26/879286626.db2.gz WMMYEBUMFXZJMG-FQEVSTJZSA-N 1 1 394.540 3.993 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790271220 879582988 /nfs/dbraw/zinc/58/29/88/879582988.db2.gz IBKCSZSOFGRDDZ-OAQYLSRUSA-N 1 1 381.476 3.996 20 5 GHBDMO CCc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461444433 879826963 /nfs/dbraw/zinc/82/69/63/879826963.db2.gz FRMHXUSRLVWKJQ-NHCUHLMSSA-N 1 1 393.487 3.751 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC000494025783 879837292 /nfs/dbraw/zinc/83/72/92/879837292.db2.gz DZXULYGKXGABIG-CYBMUJFWSA-N 1 1 382.420 3.544 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000494039137 879874890 /nfs/dbraw/zinc/87/48/90/879874890.db2.gz RNSKGLGIUYWJLA-RHSMWYFYSA-N 1 1 385.489 3.710 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494118563 879915594 /nfs/dbraw/zinc/91/55/94/879915594.db2.gz GCLHILIZDAONKK-RBUKOAKNSA-N 1 1 389.402 3.827 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494118563 879915600 /nfs/dbraw/zinc/91/56/00/879915600.db2.gz GCLHILIZDAONKK-RBUKOAKNSA-N 1 1 389.402 3.827 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790735765 879970398 /nfs/dbraw/zinc/97/03/98/879970398.db2.gz CPMINWBGSDPOKC-UHFFFAOYSA-N 1 1 399.894 3.900 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1Cc1ccccc1 ZINC000520221757 880315193 /nfs/dbraw/zinc/31/51/93/880315193.db2.gz WFRQOVVRUJUTFY-HXUWFJFHSA-N 1 1 391.427 3.746 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c(Cl)c1 ZINC000774640079 912584776 /nfs/dbraw/zinc/58/47/76/912584776.db2.gz PHULSWASKCBSIE-ACJLOTCBSA-N 1 1 389.887 3.504 20 5 GHBDMO C/C(=C\C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000791939551 880791952 /nfs/dbraw/zinc/79/19/52/880791952.db2.gz NXRSGICXRKFKDG-QZZDSHNUSA-N 1 1 391.471 3.589 20 5 GHBDMO COc1cc(F)cc(C[C@@H](C)[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000453414339 880879967 /nfs/dbraw/zinc/87/99/67/880879967.db2.gz YOQJDOLWCUCCRD-JLTOFOAXSA-N 1 1 398.438 3.786 20 5 GHBDMO CN(C)c1ccc(NC(=O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000792256985 881019914 /nfs/dbraw/zinc/01/99/14/881019914.db2.gz XZZOPAZJZUSMRJ-UHFFFAOYSA-N 1 1 382.464 3.654 20 5 GHBDMO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000792364700 881057059 /nfs/dbraw/zinc/05/70/59/881057059.db2.gz ITSZCZDRINZZTQ-OAQYLSRUSA-N 1 1 380.448 3.547 20 5 GHBDMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000792364700 881057078 /nfs/dbraw/zinc/05/70/78/881057078.db2.gz ITSZCZDRINZZTQ-OAQYLSRUSA-N 1 1 380.448 3.547 20 5 GHBDMO Cc1ccc(F)c(N2CCC[C@@H]([N@H+](C)CCc3ccccc3[N+](=O)[O-])C2=O)c1 ZINC001170195911 881230389 /nfs/dbraw/zinc/23/03/89/881230389.db2.gz VZKULOXJBHOHBV-LJQANCHMSA-N 1 1 385.439 3.712 20 5 GHBDMO Cc1ccc(F)c(N2CCC[C@@H]([N@@H+](C)CCc3ccccc3[N+](=O)[O-])C2=O)c1 ZINC001170195911 881230406 /nfs/dbraw/zinc/23/04/06/881230406.db2.gz VZKULOXJBHOHBV-LJQANCHMSA-N 1 1 385.439 3.712 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000152987718 881286416 /nfs/dbraw/zinc/28/64/16/881286416.db2.gz WXWRJCRICPTKKR-ZIAGYGMSSA-N 1 1 377.510 3.698 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000609792655 883686801 /nfs/dbraw/zinc/68/68/01/883686801.db2.gz NMBUSNPILYNBJT-UHFFFAOYSA-N 1 1 384.823 3.601 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848936 883727284 /nfs/dbraw/zinc/72/72/84/883727284.db2.gz QHFBJNAOUGVJPJ-UTKZUKDTSA-N 1 1 397.475 3.677 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848936 883727293 /nfs/dbraw/zinc/72/72/93/883727293.db2.gz QHFBJNAOUGVJPJ-UTKZUKDTSA-N 1 1 397.475 3.677 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609874667 883761383 /nfs/dbraw/zinc/76/13/83/883761383.db2.gz FNDVYQYNBUYVBR-INIZCTEOSA-N 1 1 387.867 3.890 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615983 884136191 /nfs/dbraw/zinc/13/61/91/884136191.db2.gz GMSFRRFGPAYGMM-MFBWXBCUSA-N 1 1 378.354 3.906 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861692848 885769144 /nfs/dbraw/zinc/76/91/44/885769144.db2.gz JSLYASUKBZXNCJ-UHFFFAOYSA-N 1 1 381.432 3.935 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000495489115 885917987 /nfs/dbraw/zinc/91/79/87/885917987.db2.gz BWTRCNSAPSVJQZ-HOCLYGCPSA-N 1 1 377.510 3.652 20 5 GHBDMO CC(C)[C@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[NH+]1CCCCC1 ZINC000760521702 886101668 /nfs/dbraw/zinc/10/16/68/886101668.db2.gz JWGMQCOFSYSZBV-GOSISDBHSA-N 1 1 387.436 3.804 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000026263225 886317256 /nfs/dbraw/zinc/31/72/56/886317256.db2.gz YJQCMOFYEFEGPP-UHFFFAOYSA-N 1 1 384.461 3.974 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nc2ccccc2s1 ZINC000026263225 886317276 /nfs/dbraw/zinc/31/72/76/886317276.db2.gz YJQCMOFYEFEGPP-UHFFFAOYSA-N 1 1 384.461 3.974 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000556882929 886447390 /nfs/dbraw/zinc/44/73/90/886447390.db2.gz DNOZZGLETDKMEW-GOSISDBHSA-N 1 1 384.432 3.526 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000794442232 886575791 /nfs/dbraw/zinc/57/57/91/886575791.db2.gz FDZWFZKEZRSKQT-ZDUSSCGKSA-N 1 1 376.844 3.764 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000794442232 886575802 /nfs/dbraw/zinc/57/58/02/886575802.db2.gz FDZWFZKEZRSKQT-ZDUSSCGKSA-N 1 1 376.844 3.764 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(Cc4nc(C5CCC5)no4)CC3)c2c1 ZINC000863316111 887026400 /nfs/dbraw/zinc/02/64/00/887026400.db2.gz KOZQVJBOZWRSGG-UHFFFAOYSA-N 1 1 396.451 3.507 20 5 GHBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863321542 887032542 /nfs/dbraw/zinc/03/25/42/887032542.db2.gz ZFRYCZINVULUBY-JKLQHZFJSA-N 1 1 391.471 3.604 20 5 GHBDMO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000153647858 887177560 /nfs/dbraw/zinc/17/75/60/887177560.db2.gz NBUPFLFJWNQXMK-SFHVURJKSA-N 1 1 382.464 3.589 20 5 GHBDMO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000809568593 887550649 /nfs/dbraw/zinc/55/06/49/887550649.db2.gz ARSYMYDSNFLGKR-UHFFFAOYSA-N 1 1 375.469 3.864 20 5 GHBDMO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000809568593 887550653 /nfs/dbraw/zinc/55/06/53/887550653.db2.gz ARSYMYDSNFLGKR-UHFFFAOYSA-N 1 1 375.469 3.864 20 5 GHBDMO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272520493 887617339 /nfs/dbraw/zinc/61/73/39/887617339.db2.gz LCZWOOSUNBLZLO-IHPCNDPISA-N 1 1 386.496 3.991 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000532682379 887720985 /nfs/dbraw/zinc/72/09/85/887720985.db2.gz JTSRXBSCUHJNCF-SFHVURJKSA-N 1 1 382.464 3.937 20 5 GHBDMO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2c3ccccc3cc3ccccc32)NC(=O)NC1=O ZINC000809704783 887724744 /nfs/dbraw/zinc/72/47/44/887724744.db2.gz JIMPVPMHNUEXOW-KOSHJBKYSA-N 1 1 387.483 3.946 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000153338226 887750106 /nfs/dbraw/zinc/75/01/06/887750106.db2.gz AKIYYSIXMISIFY-HNNXBMFYSA-N 1 1 396.447 3.964 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758306 887800792 /nfs/dbraw/zinc/80/07/92/887800792.db2.gz IVEIDLRFKOWBHR-ZIAGYGMSSA-N 1 1 383.286 3.996 20 5 GHBDMO Cn1ccnc1[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272581863 887839994 /nfs/dbraw/zinc/83/99/94/887839994.db2.gz YJAOGIMZVWYUBY-NRFANRHFSA-N 1 1 393.491 3.529 20 5 GHBDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC2)c1 ZINC000809915352 887939377 /nfs/dbraw/zinc/93/93/77/887939377.db2.gz PLOXFNYWBCNCHL-UHFFFAOYSA-N 1 1 388.855 3.906 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1F ZINC000194185165 888103169 /nfs/dbraw/zinc/10/31/69/888103169.db2.gz IUYLGZOFESUNKF-UHFFFAOYSA-N 1 1 395.394 3.725 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000763210377 888304655 /nfs/dbraw/zinc/30/46/55/888304655.db2.gz LOPQDRHPALJGLO-QGZVFWFLSA-N 1 1 385.512 3.879 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000810589274 888668648 /nfs/dbraw/zinc/66/86/48/888668648.db2.gz GESYTOOMGBTHMX-IBGZPJMESA-N 1 1 391.399 3.506 20 5 GHBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000454330941 888868118 /nfs/dbraw/zinc/86/81/18/888868118.db2.gz XKCRKWPORDKBJK-HNNXBMFYSA-N 1 1 386.427 3.720 20 5 GHBDMO CC1CCN(c2ccc(C(=O)O[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000810841687 888930740 /nfs/dbraw/zinc/93/07/40/888930740.db2.gz NBOXXCOIZZDWNP-QZTJIDSGSA-N 1 1 387.480 3.615 20 5 GHBDMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000916451992 889016262 /nfs/dbraw/zinc/01/62/62/889016262.db2.gz OTRXAPOSFSGTCH-MIJBNRBISA-N 1 1 395.459 3.856 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000533221721 890033765 /nfs/dbraw/zinc/03/37/65/890033765.db2.gz QMOZGTQLLJEIKL-QGZVFWFLSA-N 1 1 381.432 3.600 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454969188 890078382 /nfs/dbraw/zinc/07/83/82/890078382.db2.gz YVYLWAYHOVPWOB-FTRWYGJKSA-N 1 1 382.464 3.618 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(Br)c1 ZINC000533251367 890097750 /nfs/dbraw/zinc/09/77/50/890097750.db2.gz MVHXYPQYICXDDU-LBPRGKRZSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(Br)c1 ZINC000533251367 890097763 /nfs/dbraw/zinc/09/77/63/890097763.db2.gz MVHXYPQYICXDDU-LBPRGKRZSA-N 1 1 392.253 3.816 20 5 GHBDMO Cc1nc([N+](=O)[O-])c(Br)n1Cc1c[nH+]c(N(C)C)c2ccccc12 ZINC000916773489 890215768 /nfs/dbraw/zinc/21/57/68/890215768.db2.gz WNUCSCANWWNKRE-UHFFFAOYSA-N 1 1 390.241 3.525 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533303234 890250722 /nfs/dbraw/zinc/25/07/22/890250722.db2.gz XVLWSBZEQRWDMF-MRXNPFEDSA-N 1 1 385.851 3.627 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000795106407 890275426 /nfs/dbraw/zinc/27/54/26/890275426.db2.gz JXHKTJBWGUJIAC-YOEHRIQHSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000795106407 890275438 /nfs/dbraw/zinc/27/54/38/890275438.db2.gz JXHKTJBWGUJIAC-YOEHRIQHSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350610 891236131 /nfs/dbraw/zinc/23/61/31/891236131.db2.gz OPIMFABRJCUPAO-UHFFFAOYSA-N 1 1 387.505 3.842 20 5 GHBDMO Cn1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c2cc(F)ccc21 ZINC000813170126 891327216 /nfs/dbraw/zinc/32/72/16/891327216.db2.gz HONLMVZOWCIZGS-KRWDZBQOSA-N 1 1 397.406 3.657 20 5 GHBDMO Cn1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c2cc(F)ccc21 ZINC000813170126 891327234 /nfs/dbraw/zinc/32/72/34/891327234.db2.gz HONLMVZOWCIZGS-KRWDZBQOSA-N 1 1 397.406 3.657 20 5 GHBDMO O=C(CCn1ccc2ccccc21)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171901 891329803 /nfs/dbraw/zinc/32/98/03/891329803.db2.gz CNYAOWLKUUQNFD-FQEVSTJZSA-N 1 1 393.443 3.757 20 5 GHBDMO O=C(CCn1ccc2ccccc21)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171901 891329816 /nfs/dbraw/zinc/32/98/16/891329816.db2.gz CNYAOWLKUUQNFD-FQEVSTJZSA-N 1 1 393.443 3.757 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000615035412 891826738 /nfs/dbraw/zinc/82/67/38/891826738.db2.gz JMMSXYCQIOPKBC-UHFFFAOYSA-N 1 1 382.464 3.951 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000130676544 891949730 /nfs/dbraw/zinc/94/97/30/891949730.db2.gz KLBVNYOGNBFBTC-GOSISDBHSA-N 1 1 388.512 3.637 20 5 GHBDMO Cc1c(OC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000917755704 892480443 /nfs/dbraw/zinc/48/04/43/892480443.db2.gz IDVTUEPGBJWLRZ-GJZGRUSLSA-N 1 1 384.432 3.732 20 5 GHBDMO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000774841054 913725922 /nfs/dbraw/zinc/72/59/22/913725922.db2.gz RINUZXWVPPCQAI-LJQANCHMSA-N 1 1 384.436 3.599 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](O)COCc1ccccc1 ZINC000563519712 893859150 /nfs/dbraw/zinc/85/91/50/893859150.db2.gz ZRALPHVZNDTTQB-QGZVFWFLSA-N 1 1 398.381 3.623 20 5 GHBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459662737 894016371 /nfs/dbraw/zinc/01/63/71/894016371.db2.gz NRYIJDGJXYAYAR-MRXNPFEDSA-N 1 1 388.386 3.655 20 5 GHBDMO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+](C)Cc1ccccc1 ZINC000498307359 894024351 /nfs/dbraw/zinc/02/43/51/894024351.db2.gz AOGAJKIUBFELBZ-MRXNPFEDSA-N 1 1 392.459 3.783 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459759331 894153795 /nfs/dbraw/zinc/15/37/95/894153795.db2.gz ITPJEISJBBXLTR-CQSZACIVSA-N 1 1 389.427 3.634 20 5 GHBDMO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774863362 913846759 /nfs/dbraw/zinc/84/67/59/913846759.db2.gz MLYVSVHFZKXJHK-HNNXBMFYSA-N 1 1 396.447 3.919 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001135244624 894254042 /nfs/dbraw/zinc/25/40/42/894254042.db2.gz FFIUMGZDBXULDD-IAOVAPTHSA-N 1 1 377.510 3.557 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001135280101 894327257 /nfs/dbraw/zinc/32/72/57/894327257.db2.gz QDVQEELHYJQTJB-YQVWRLOYSA-N 1 1 387.867 3.771 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000537150463 894412137 /nfs/dbraw/zinc/41/21/37/894412137.db2.gz XOAPDFTXQBMWID-UHFFFAOYSA-N 1 1 399.516 3.883 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000537150463 894412143 /nfs/dbraw/zinc/41/21/43/894412143.db2.gz XOAPDFTXQBMWID-UHFFFAOYSA-N 1 1 399.516 3.883 20 5 GHBDMO C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000459987706 894488750 /nfs/dbraw/zinc/48/87/50/894488750.db2.gz MSRRZFSRYQDGFX-KCPJHIHWSA-N 1 1 399.413 3.781 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2COc2ccccc2)o1 ZINC000878665432 894496500 /nfs/dbraw/zinc/49/65/00/894496500.db2.gz IKTUDIRNJZUYLV-HNNXBMFYSA-N 1 1 380.404 3.688 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2COc2ccccc2)o1 ZINC000878665432 894496510 /nfs/dbraw/zinc/49/65/10/894496510.db2.gz IKTUDIRNJZUYLV-HNNXBMFYSA-N 1 1 380.404 3.688 20 5 GHBDMO COc1ccc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000816456640 894822344 /nfs/dbraw/zinc/82/23/44/894822344.db2.gz LMKXVDYHFLGDLT-DNVCBOLYSA-N 1 1 384.432 3.671 20 5 GHBDMO O=[N+]([O-])c1ccc(Cn2cc(C[NH2+][C@H]3CCCc4ccccc43)nn2)cc1F ZINC000881213953 896241047 /nfs/dbraw/zinc/24/10/47/896241047.db2.gz VGRAGOYIZRMVIN-IBGZPJMESA-N 1 1 381.411 3.541 20 5 GHBDMO O=[N+]([O-])c1cc(Cn2cc(C[NH2+][C@@H]3CCc4ccccc43)nn2)ccc1Cl ZINC000881227001 896251719 /nfs/dbraw/zinc/25/17/19/896251719.db2.gz FMBDIAIPVKNVCF-GOSISDBHSA-N 1 1 383.839 3.665 20 5 GHBDMO Cc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1[N+](=O)[O-] ZINC000567090607 896866910 /nfs/dbraw/zinc/86/69/10/896866910.db2.gz PYEXOAZIWWFUTG-GOSISDBHSA-N 1 1 380.404 3.527 20 5 GHBDMO Cc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1[N+](=O)[O-] ZINC000567090607 896866926 /nfs/dbraw/zinc/86/69/26/896866926.db2.gz PYEXOAZIWWFUTG-GOSISDBHSA-N 1 1 380.404 3.527 20 5 GHBDMO O=C(C[NH+]1CCC(c2ccnc3ccccc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000567176315 896940204 /nfs/dbraw/zinc/94/02/04/896940204.db2.gz ASVNYSFLEHORKO-UHFFFAOYSA-N 1 1 390.443 3.961 20 5 GHBDMO Cn1cc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c(C(C)(C)C)n1 ZINC000883287788 897449212 /nfs/dbraw/zinc/44/92/12/897449212.db2.gz GECBKPKCXMDUGT-UHFFFAOYSA-N 1 1 381.274 3.678 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000132422622 897784015 /nfs/dbraw/zinc/78/40/15/897784015.db2.gz NQZVOADUQJOMGZ-YQQQUEKLSA-N 1 1 397.450 3.968 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000282846459 898099668 /nfs/dbraw/zinc/09/96/68/898099668.db2.gz NHMLBAJXYAGIDK-OAHLLOKOSA-N 1 1 399.447 3.639 20 5 GHBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001136536207 898210923 /nfs/dbraw/zinc/21/09/23/898210923.db2.gz TTXSLPSZOHMAJP-LJQANCHMSA-N 1 1 396.491 3.694 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000822139966 898231997 /nfs/dbraw/zinc/23/19/97/898231997.db2.gz SFARUBOXVJWRAF-NSHDSACASA-N 1 1 399.289 3.599 20 5 GHBDMO CCO[C@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000155471359 898818128 /nfs/dbraw/zinc/81/81/28/898818128.db2.gz CYRUCTSIEOAOPR-ZDUSSCGKSA-N 1 1 392.374 3.545 20 5 GHBDMO CCO[C@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000155471359 898818140 /nfs/dbraw/zinc/81/81/40/898818140.db2.gz CYRUCTSIEOAOPR-ZDUSSCGKSA-N 1 1 392.374 3.545 20 5 GHBDMO COc1ccc2c(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc(=O)oc2c1 ZINC000155731191 899037979 /nfs/dbraw/zinc/03/79/79/899037979.db2.gz XULDURIBBGEKJG-UHFFFAOYSA-N 1 1 380.400 3.874 20 5 GHBDMO COc1ccc2c(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc(=O)oc2c1 ZINC000155731191 899037992 /nfs/dbraw/zinc/03/79/92/899037992.db2.gz XULDURIBBGEKJG-UHFFFAOYSA-N 1 1 380.400 3.874 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824696250 899772168 /nfs/dbraw/zinc/77/21/68/899772168.db2.gz JFWNLSMQVYZNLF-SRCQZFHVSA-N 1 1 383.286 3.873 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289852462 914382080 /nfs/dbraw/zinc/38/20/80/914382080.db2.gz QIZSQDHIKCOHLO-UHFFFAOYSA-N 1 1 384.436 3.936 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000571357962 899841767 /nfs/dbraw/zinc/84/17/67/899841767.db2.gz WJFKLOGNCKYBJP-QGZVFWFLSA-N 1 1 375.375 3.691 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000571546201 899906882 /nfs/dbraw/zinc/90/68/82/899906882.db2.gz VRNFEZBFPLWGAH-HNNXBMFYSA-N 1 1 393.365 3.830 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000825431893 900140821 /nfs/dbraw/zinc/14/08/21/900140821.db2.gz CKFYFCHILQLERO-CQSZACIVSA-N 1 1 387.867 3.733 20 5 GHBDMO C[C@@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000573773270 900631930 /nfs/dbraw/zinc/63/19/30/900631930.db2.gz XTWDLFDXFAHCDJ-LJQANCHMSA-N 1 1 395.503 3.865 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000844373141 900740387 /nfs/dbraw/zinc/74/03/87/900740387.db2.gz DPZIPORGJGVTNR-GOSISDBHSA-N 1 1 391.811 3.640 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000844373141 900740398 /nfs/dbraw/zinc/74/03/98/900740398.db2.gz DPZIPORGJGVTNR-GOSISDBHSA-N 1 1 391.811 3.640 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000574348024 900854016 /nfs/dbraw/zinc/85/40/16/900854016.db2.gz PLPBKNVWBUTXSF-DAYGRLMNSA-N 1 1 391.537 3.898 20 5 GHBDMO CCC[N@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2C1 ZINC000066968492 901031867 /nfs/dbraw/zinc/03/18/67/901031867.db2.gz PPSNVGOZRALFRU-CQSZACIVSA-N 1 1 398.463 3.768 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000778950444 902097222 /nfs/dbraw/zinc/09/72/22/902097222.db2.gz KHTSBPMWSZWQQI-HZPDHXFCSA-N 1 1 393.484 3.729 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCC1 ZINC001186518352 914609350 /nfs/dbraw/zinc/60/93/50/914609350.db2.gz ONBJWERNPPRKCZ-UHFFFAOYSA-N 1 1 394.475 3.946 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778981752 902490351 /nfs/dbraw/zinc/49/03/51/902490351.db2.gz QLBVJHALEYLAGW-CABCVRRESA-N 1 1 393.484 3.729 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846111737 902688995 /nfs/dbraw/zinc/68/89/95/902688995.db2.gz VQCCAWARWWBTMC-HIFRSBDPSA-N 1 1 383.279 3.981 20 5 GHBDMO CCCC[C@@](CC)(Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2)C(=O)OCC ZINC001171229848 903044547 /nfs/dbraw/zinc/04/45/47/903044547.db2.gz BKRBBUCBZQCLLU-HXUWFJFHSA-N 1 1 377.485 3.897 20 5 GHBDMO CCCC[C@@](CC)(Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2)C(=O)OCC ZINC001171229848 903044571 /nfs/dbraw/zinc/04/45/71/903044571.db2.gz BKRBBUCBZQCLLU-HXUWFJFHSA-N 1 1 377.485 3.897 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000577854745 903273747 /nfs/dbraw/zinc/27/37/47/903273747.db2.gz YPDDGOBCPLPGBR-INIZCTEOSA-N 1 1 389.521 3.927 20 5 GHBDMO C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CCc1cccc([N+](=O)[O-])c1 ZINC000577959927 903388117 /nfs/dbraw/zinc/38/81/17/903388117.db2.gz ZXXRUDONQMECER-NRFANRHFSA-N 1 1 381.476 3.653 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000578353839 903761113 /nfs/dbraw/zinc/76/11/13/903761113.db2.gz ZNIZDQNBLODJRS-UHFFFAOYSA-N 1 1 395.868 3.705 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000578353839 903761125 /nfs/dbraw/zinc/76/11/25/903761125.db2.gz ZNIZDQNBLODJRS-UHFFFAOYSA-N 1 1 395.868 3.705 20 5 GHBDMO CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000579002023 904287233 /nfs/dbraw/zinc/28/72/33/904287233.db2.gz WGWKPQPCHKJHRC-UHFFFAOYSA-N 1 1 383.448 3.691 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365794768 921169395 /nfs/dbraw/zinc/16/93/95/921169395.db2.gz LDZJLJUJFUJCBG-VHSXEESVSA-N 1 1 380.317 3.683 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H]3C[C@H]1CN3Cc1ccccc1)CC2 ZINC001172914586 905986940 /nfs/dbraw/zinc/98/69/40/905986940.db2.gz IADQINPELKAPMM-PMVMPFDFSA-N 1 1 377.488 3.801 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](CCN(C)C)c2ccccc2)c1F ZINC001173178248 906256916 /nfs/dbraw/zinc/25/69/16/906256916.db2.gz KMPNUGPSCMIMMT-YJBOKZPZSA-N 1 1 389.471 3.956 20 5 GHBDMO CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173180191 906258749 /nfs/dbraw/zinc/25/87/49/906258749.db2.gz JFWOCNUTBBHCFF-JLTOFOAXSA-N 1 1 396.459 3.729 20 5 GHBDMO CCC(CC)[NH+]1CCC(N[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173182352 906263299 /nfs/dbraw/zinc/26/32/99/906263299.db2.gz SCWSVRGSKMYYJD-CQSZACIVSA-N 1 1 381.492 3.916 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1F ZINC001173186013 906266665 /nfs/dbraw/zinc/26/66/65/906266665.db2.gz QUUFPOKLXNMOLM-BEFAXECRSA-N 1 1 387.455 3.662 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1F ZINC001173187594 906267248 /nfs/dbraw/zinc/26/72/48/906267248.db2.gz ANZHTEHGDQOHRK-XJKSGUPXSA-N 1 1 392.402 3.966 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCN(c3cccc(F)c3)CC2)c1F ZINC001173191415 906273442 /nfs/dbraw/zinc/27/34/42/906273442.db2.gz DXUNVPPPHOCJGX-CQSZACIVSA-N 1 1 391.418 3.635 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001173221082 906298565 /nfs/dbraw/zinc/29/85/65/906298565.db2.gz GBGWQLAHSFBUDW-KCMWZYNZSA-N 1 1 375.469 3.513 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001173227619 906310576 /nfs/dbraw/zinc/31/05/76/906310576.db2.gz RKVPHQQAORWPKZ-RDJZCZTQSA-N 1 1 377.485 3.763 20 5 GHBDMO CCOC(=O)C[N@H+](Cc1ccc(OC)cc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227299 906311335 /nfs/dbraw/zinc/31/13/35/906311335.db2.gz PHRHVSKYKKWGRD-MRXNPFEDSA-N 1 1 386.448 3.600 20 5 GHBDMO CCOC(=O)C[N@@H+](Cc1ccc(OC)cc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227299 906311347 /nfs/dbraw/zinc/31/13/47/906311347.db2.gz PHRHVSKYKKWGRD-MRXNPFEDSA-N 1 1 386.448 3.600 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2c(Br)ccc(N)c2C1 ZINC001173229860 906313938 /nfs/dbraw/zinc/31/39/38/906313938.db2.gz BBMGAILXRHYAPN-GFCCVEGCSA-N 1 1 390.281 3.929 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173233778 906319940 /nfs/dbraw/zinc/31/99/40/906319940.db2.gz YJJMETZUQGYEAR-HNNXBMFYSA-N 1 1 387.867 3.637 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCSCc1ccc(CN(C)C)o1 ZINC001173210108 906326508 /nfs/dbraw/zinc/32/65/08/906326508.db2.gz IJRLQHFLCXONPN-HNNXBMFYSA-N 1 1 377.510 3.703 20 5 GHBDMO COc1cc(C[NH+]2CCC(C)(O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000179727422 906576303 /nfs/dbraw/zinc/57/63/03/906576303.db2.gz ZWJYNYXVWIUTCY-UHFFFAOYSA-N 1 1 386.448 3.529 20 5 GHBDMO Nc1c2cccnc2c2ncccc2c1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174446786 907040852 /nfs/dbraw/zinc/04/08/52/907040852.db2.gz OQKSTXVYVJEURI-UHFFFAOYSA-N 1 1 385.471 3.941 20 5 GHBDMO C[C@@](CO)([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001175323323 907502014 /nfs/dbraw/zinc/50/20/14/907502014.db2.gz LIXMHHXOGUSMSI-INIZCTEOSA-N 1 1 399.325 3.519 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC001176813643 908265019 /nfs/dbraw/zinc/26/50/19/908265019.db2.gz GLAQWPCXYDYKQJ-IFXJQAMLSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CC[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC001176813643 908265031 /nfs/dbraw/zinc/26/50/31/908265031.db2.gz GLAQWPCXYDYKQJ-IFXJQAMLSA-N 1 1 379.432 3.613 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000266149045 909020341 /nfs/dbraw/zinc/02/03/41/909020341.db2.gz QKHGJIMFAGNAHO-UHFFFAOYSA-N 1 1 379.460 3.566 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000779859880 909051596 /nfs/dbraw/zinc/05/15/96/909051596.db2.gz ZRJTWSCDHILRJY-HNNXBMFYSA-N 1 1 379.258 3.527 20 5 GHBDMO Cc1nc2ccccn2c1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001179457574 909537772 /nfs/dbraw/zinc/53/77/72/909537772.db2.gz HHLUDDJOVPLNAW-UHFFFAOYSA-N 1 1 375.226 3.603 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000245587722 909755509 /nfs/dbraw/zinc/75/55/09/909755509.db2.gz NDDYIUAZYGAVJK-AEFFLSMTSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000245587722 909755518 /nfs/dbraw/zinc/75/55/18/909755518.db2.gz NDDYIUAZYGAVJK-AEFFLSMTSA-N 1 1 391.830 3.871 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])cc1OC ZINC000245736223 909869809 /nfs/dbraw/zinc/86/98/09/909869809.db2.gz FQYCZXAGLPJHMP-GDBMZVCRSA-N 1 1 392.477 3.762 20 5 GHBDMO C[C@@H]1CCC[C@H]([N@@H+](C)CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795408963 910230867 /nfs/dbraw/zinc/23/08/67/910230867.db2.gz MKBDZJURHWZEOR-YPMHNXCESA-N 1 1 396.285 3.781 20 5 GHBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000271123870 910789085 /nfs/dbraw/zinc/78/90/85/910789085.db2.gz JZZXIZYHLZQJGQ-SJORKVTESA-N 1 1 393.553 3.556 20 5 GHBDMO Cc1cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000774527686 911940542 /nfs/dbraw/zinc/94/05/42/911940542.db2.gz ZXMSIPCWSVGBOI-UHFFFAOYSA-N 1 1 395.809 3.648 20 5 GHBDMO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000284780807 912029957 /nfs/dbraw/zinc/02/99/57/912029957.db2.gz LKUJINSGKPNJJU-SKPFHBQLSA-N 1 1 393.483 3.698 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001187006728 914936439 /nfs/dbraw/zinc/93/64/39/914936439.db2.gz BGLJNMNUQNHTKJ-GFCCVEGCSA-N 1 1 393.285 3.612 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC001187080691 915022060 /nfs/dbraw/zinc/02/20/60/915022060.db2.gz DBTOHAUCCPPBNZ-QGZVFWFLSA-N 1 1 378.432 3.838 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC001187080691 915022078 /nfs/dbraw/zinc/02/20/78/915022078.db2.gz DBTOHAUCCPPBNZ-QGZVFWFLSA-N 1 1 378.432 3.838 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000293121548 916016941 /nfs/dbraw/zinc/01/69/41/916016941.db2.gz PHKGLYHMEMTRNU-GFCCVEGCSA-N 1 1 395.385 3.531 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000293121548 916016958 /nfs/dbraw/zinc/01/69/58/916016958.db2.gz PHKGLYHMEMTRNU-GFCCVEGCSA-N 1 1 395.385 3.531 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC001190510830 917374246 /nfs/dbraw/zinc/37/42/46/917374246.db2.gz RPAPTFOLFUOMQH-GOSISDBHSA-N 1 1 397.475 3.811 20 5 GHBDMO CN(c1ccccc1)c1ccc(CNCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000113959371 919382277 /nfs/dbraw/zinc/38/22/77/919382277.db2.gz BWKGQIPRQNHZPA-UHFFFAOYSA-N 1 1 398.507 3.563 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000117337392 919537719 /nfs/dbraw/zinc/53/77/19/919537719.db2.gz CODPIJGJRFPPPK-UHFFFAOYSA-N 1 1 397.431 3.511 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364762191 919961866 /nfs/dbraw/zinc/96/18/66/919961866.db2.gz NSJNYBBUDSFOQD-HIFRSBDPSA-N 1 1 388.855 3.535 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364762191 919961898 /nfs/dbraw/zinc/96/18/98/919961898.db2.gz NSJNYBBUDSFOQD-HIFRSBDPSA-N 1 1 388.855 3.535 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000900800210 920620844 /nfs/dbraw/zinc/62/08/44/920620844.db2.gz MNYKEZIWASZSLV-NXEZZACHSA-N 1 1 392.258 3.986 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000902501176 922242100 /nfs/dbraw/zinc/24/21/00/922242100.db2.gz IXUAOAQVEAZLGK-RZUBCFFCSA-N 1 1 379.460 3.818 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000748451008 923648134 /nfs/dbraw/zinc/64/81/34/923648134.db2.gz VZHABRCWINOBBT-AWEZNQCLSA-N 1 1 392.419 3.626 20 5 GHBDMO CCc1ccc([C@H](CO)[NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000543810168 925156682 /nfs/dbraw/zinc/15/66/82/925156682.db2.gz MVKNSNHKTXOPAZ-HNNXBMFYSA-N 1 1 396.390 3.590 20 5 GHBDMO CCc1ccc([C@@H](CO)[NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000543810174 925157258 /nfs/dbraw/zinc/15/72/58/925157258.db2.gz MVKNSNHKTXOPAZ-OAHLLOKOSA-N 1 1 396.390 3.590 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000411138900 926117690 /nfs/dbraw/zinc/11/76/90/926117690.db2.gz WWBBWBWUVKXHCI-LBPRGKRZSA-N 1 1 393.390 3.903 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000411304704 926287021 /nfs/dbraw/zinc/28/70/21/926287021.db2.gz WRHPJFBFYJSULA-YOEHRIQHSA-N 1 1 387.436 3.998 20 5 GHBDMO CC[C@H](C)[N@H+](Cc1ccccc1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586163 926744484 /nfs/dbraw/zinc/74/44/84/926744484.db2.gz HOIMDRCORGBKCZ-INIZCTEOSA-N 1 1 396.447 3.622 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000726602659 926757436 /nfs/dbraw/zinc/75/74/36/926757436.db2.gz YIEBBZRUFQWXHB-JKSUJKDBSA-N 1 1 393.484 3.741 20 5 GHBDMO COc1cc(C[NH+]2CCC(OCC3CC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000374128865 926803931 /nfs/dbraw/zinc/80/39/31/926803931.db2.gz FVKLSSMIDKODIW-UHFFFAOYSA-N 1 1 386.395 3.596 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)Cc3c(F)c(OC)ccc3[N+](=O)[O-])c2C1 ZINC000411938857 926924174 /nfs/dbraw/zinc/92/41/74/926924174.db2.gz GKARULJQRKVHGS-UHFFFAOYSA-N 1 1 387.411 3.649 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)Cc3c(F)c(OC)ccc3[N+](=O)[O-])c2C1 ZINC000411938857 926924184 /nfs/dbraw/zinc/92/41/84/926924184.db2.gz GKARULJQRKVHGS-UHFFFAOYSA-N 1 1 387.411 3.649 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000726972782 926964866 /nfs/dbraw/zinc/96/48/66/926964866.db2.gz FBICUWUVHGSGJK-RBBKRZOGSA-N 1 1 397.475 3.820 20 5 GHBDMO Cc1nn(C[N@@H+](C)CCCOc2cccc(Cl)c2)c2ncc([N+](=O)[O-])cc12 ZINC000749944122 927362517 /nfs/dbraw/zinc/36/25/17/927362517.db2.gz MDCYHHFROHXCJI-UHFFFAOYSA-N 1 1 389.843 3.660 20 5 GHBDMO COc1ccccc1[C@H]1CCCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749951934 927368832 /nfs/dbraw/zinc/36/88/32/927368832.db2.gz RCJKSRWICQTWEY-GOSISDBHSA-N 1 1 381.436 3.841 20 5 GHBDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749951934 927368837 /nfs/dbraw/zinc/36/88/37/927368837.db2.gz RCJKSRWICQTWEY-GOSISDBHSA-N 1 1 381.436 3.841 20 5 GHBDMO CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000750050952 927406393 /nfs/dbraw/zinc/40/63/93/927406393.db2.gz FUWQEISICVBJNQ-HSQYWUDLSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000750050952 927406402 /nfs/dbraw/zinc/40/64/02/927406402.db2.gz FUWQEISICVBJNQ-HSQYWUDLSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000750050952 927406409 /nfs/dbraw/zinc/40/64/09/927406409.db2.gz FUWQEISICVBJNQ-HSQYWUDLSA-N 1 1 383.492 3.786 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H](O)c3ccccc3)n2)cc1 ZINC000750609083 927748476 /nfs/dbraw/zinc/74/84/76/927748476.db2.gz PONFORCLRQCSHN-UYAOXDASSA-N 1 1 394.431 3.733 20 5 GHBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000752017473 928554361 /nfs/dbraw/zinc/55/43/61/928554361.db2.gz VXINDXBBKUJORO-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000752079055 928594849 /nfs/dbraw/zinc/59/48/49/928594849.db2.gz ZMGXCIMMIQZEHN-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000752079055 928594856 /nfs/dbraw/zinc/59/48/56/928594856.db2.gz ZMGXCIMMIQZEHN-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000752347910 928780821 /nfs/dbraw/zinc/78/08/21/928780821.db2.gz OYHLUOUTUNLFST-IBGZPJMESA-N 1 1 382.416 3.802 20 5 GHBDMO O=C1N(C[N@H+](CCc2ccc(F)cc2)C2CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752794114 929025690 /nfs/dbraw/zinc/02/56/90/929025690.db2.gz VDZSSNVRPDKFTO-UHFFFAOYSA-N 1 1 398.438 3.641 20 5 GHBDMO O=C1N(C[N@@H+](CCc2ccc(F)cc2)C2CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752794114 929025704 /nfs/dbraw/zinc/02/57/04/929025704.db2.gz VDZSSNVRPDKFTO-UHFFFAOYSA-N 1 1 398.438 3.641 20 5 GHBDMO Cc1c(Br)c(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000544395983 929128401 /nfs/dbraw/zinc/12/84/01/929128401.db2.gz LSADZNGJFIVHEU-CZUORRHYSA-N 1 1 391.269 3.918 20 5 GHBDMO Cc1c(Br)c(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000544395983 929128404 /nfs/dbraw/zinc/12/84/04/929128404.db2.gz LSADZNGJFIVHEU-CZUORRHYSA-N 1 1 391.269 3.918 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000467719685 929336594 /nfs/dbraw/zinc/33/65/94/929336594.db2.gz DSJYOROQZFTJPW-LIRRHRJNSA-N 1 1 380.448 3.551 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000757254988 929681145 /nfs/dbraw/zinc/68/11/45/929681145.db2.gz GTUTVTDRBCODMU-UHFFFAOYSA-N 1 1 382.892 3.510 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c2c(c1)COCO2 ZINC000757705409 929777683 /nfs/dbraw/zinc/77/76/83/929777683.db2.gz KPOOEOWZSYFLDZ-GOSISDBHSA-N 1 1 382.416 3.997 20 5 GHBDMO C[N@@H+](CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000546183033 929934132 /nfs/dbraw/zinc/93/41/32/929934132.db2.gz ZAHMFIKSQPQCEC-UHFFFAOYSA-N 1 1 377.448 3.523 20 5 GHBDMO Cc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1[N+](=O)[O-] ZINC000546284983 930020328 /nfs/dbraw/zinc/02/03/28/930020328.db2.gz QKLLXZZDZDZAOE-KRWDZBQOSA-N 1 1 379.420 3.728 20 5 GHBDMO Cc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1[N+](=O)[O-] ZINC000546284985 930020560 /nfs/dbraw/zinc/02/05/60/930020560.db2.gz QKLLXZZDZDZAOE-QGZVFWFLSA-N 1 1 379.420 3.728 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469994487 930303431 /nfs/dbraw/zinc/30/34/31/930303431.db2.gz XBCMMKSNMSSWHV-GFCCVEGCSA-N 1 1 397.353 3.952 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469994487 930303438 /nfs/dbraw/zinc/30/34/38/930303438.db2.gz XBCMMKSNMSSWHV-GFCCVEGCSA-N 1 1 397.353 3.952 20 5 GHBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000470135479 930397924 /nfs/dbraw/zinc/39/79/24/930397924.db2.gz ULTPKFCEHUKEQM-LIVBEALHSA-N 1 1 399.422 3.612 20 5 GHBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000470135479 930397933 /nfs/dbraw/zinc/39/79/33/930397933.db2.gz ULTPKFCEHUKEQM-LIVBEALHSA-N 1 1 399.422 3.612 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470149589 930409887 /nfs/dbraw/zinc/40/98/87/930409887.db2.gz SCOJKJWKXWUTJX-ZDUSSCGKSA-N 1 1 392.456 3.829 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000470172209 930429833 /nfs/dbraw/zinc/42/98/33/930429833.db2.gz SZIOHWFCCICWBN-PTNGSMBKSA-N 1 1 395.488 3.825 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000470177244 930434419 /nfs/dbraw/zinc/43/44/19/930434419.db2.gz QRWHXLFRMRBWHG-GHRIWEEISA-N 1 1 397.450 3.985 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000470177244 930434421 /nfs/dbraw/zinc/43/44/21/930434421.db2.gz QRWHXLFRMRBWHG-GHRIWEEISA-N 1 1 397.450 3.985 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000470177246 930434543 /nfs/dbraw/zinc/43/45/43/930434543.db2.gz QRWHXLFRMRBWHG-LGMDPLHJSA-N 1 1 397.450 3.985 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000470177246 930434546 /nfs/dbraw/zinc/43/45/46/930434546.db2.gz QRWHXLFRMRBWHG-LGMDPLHJSA-N 1 1 397.450 3.985 20 5 GHBDMO CCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546893578 930516153 /nfs/dbraw/zinc/51/61/53/930516153.db2.gz WTEFCHWINKZQMH-VQIMIIECSA-N 1 1 399.466 3.960 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCOc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000780762251 930593166 /nfs/dbraw/zinc/59/31/66/930593166.db2.gz BWPNHAQSVXDABR-LJQANCHMSA-N 1 1 384.411 3.616 20 5 GHBDMO CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470819448 930939723 /nfs/dbraw/zinc/93/97/23/930939723.db2.gz FOWCBRRWANHPEQ-INIZCTEOSA-N 1 1 387.867 3.985 20 5 GHBDMO O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000782151323 931102238 /nfs/dbraw/zinc/10/22/38/931102238.db2.gz BSUBGRKJHGOXQU-UHFFFAOYSA-N 1 1 395.272 3.644 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000471057142 931124330 /nfs/dbraw/zinc/12/43/30/931124330.db2.gz OOVPYVIFVOFMNB-CQSZACIVSA-N 1 1 394.431 3.979 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)CC2)[nH+]c1C ZINC000924305932 931316578 /nfs/dbraw/zinc/31/65/78/931316578.db2.gz ABUGYTLRYGJEEO-UHFFFAOYSA-N 1 1 397.479 3.555 20 5 GHBDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000557619115 931576682 /nfs/dbraw/zinc/57/66/82/931576682.db2.gz QXCCGVIBVIHTEQ-LBPRGKRZSA-N 1 1 387.440 3.622 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)ccc1Br ZINC000783598459 931592818 /nfs/dbraw/zinc/59/28/18/931592818.db2.gz SCEHXXFPISYMKP-HNNXBMFYSA-N 1 1 376.254 3.817 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)ccc1Br ZINC000783598459 931592825 /nfs/dbraw/zinc/59/28/25/931592825.db2.gz SCEHXXFPISYMKP-HNNXBMFYSA-N 1 1 376.254 3.817 20 5 GHBDMO O=C([C@@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2)N1CCCCC1 ZINC000783660612 931610731 /nfs/dbraw/zinc/61/07/31/931610731.db2.gz NIKZGNRXURQFLL-INIZCTEOSA-N 1 1 391.899 3.863 20 5 GHBDMO Cc1ccc([C@@H]2CC[N@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C2)cc1 ZINC000784023720 931758421 /nfs/dbraw/zinc/75/84/21/931758421.db2.gz RZGUYMMMSJHMBN-GOSISDBHSA-N 1 1 380.448 3.592 20 5 GHBDMO Cc1ccc([C@@H]2CC[N@@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C2)cc1 ZINC000784023720 931758427 /nfs/dbraw/zinc/75/84/27/931758427.db2.gz RZGUYMMMSJHMBN-GOSISDBHSA-N 1 1 380.448 3.592 20 5 GHBDMO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000784141778 931796163 /nfs/dbraw/zinc/79/61/63/931796163.db2.gz PQNLHWVBTDZNFB-INIZCTEOSA-N 1 1 398.381 3.875 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000558462876 932015797 /nfs/dbraw/zinc/01/57/97/932015797.db2.gz PXULMEXJZDXURS-QGZVFWFLSA-N 1 1 376.840 3.918 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000558734528 932200540 /nfs/dbraw/zinc/20/05/40/932200540.db2.gz JSDXSTIJKRJRRE-NRFANRHFSA-N 1 1 380.444 3.662 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000560548082 933332711 /nfs/dbraw/zinc/33/27/11/933332711.db2.gz CZUSAZOCHJPAQD-GOSISDBHSA-N 1 1 390.365 3.667 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC001116483496 933585477 /nfs/dbraw/zinc/58/54/77/933585477.db2.gz HCDANEQUKIUMOL-NSHDSACASA-N 1 1 397.353 3.933 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001116604622 933659205 /nfs/dbraw/zinc/65/92/05/933659205.db2.gz SLKKYIICQAKKGB-UYAOXDASSA-N 1 1 396.491 3.970 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000561085089 933847532 /nfs/dbraw/zinc/84/75/32/933847532.db2.gz QGOZAPASSOGTGH-IBGZPJMESA-N 1 1 379.416 3.757 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CC[C@H](O)c1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000828817008 935719630 /nfs/dbraw/zinc/71/96/30/935719630.db2.gz JIYRSTBAOQGRSI-ONTIZHBOSA-N 1 1 384.476 3.824 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001625834589 1014218148 /nfs/dbraw/zinc/21/81/48/1014218148.db2.gz NSPNLCRBHCGRDB-IXDOHACOSA-N 1 1 397.475 3.695 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001625834589 1014218159 /nfs/dbraw/zinc/21/81/59/1014218159.db2.gz NSPNLCRBHCGRDB-IXDOHACOSA-N 1 1 397.475 3.695 20 5 GHBDMO N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220779555 1032117859 /nfs/dbraw/zinc/11/78/59/1032117859.db2.gz WOFUCRFRYLSOIO-CAOCKLPOSA-N 1 1 387.527 3.783 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000468288498 1015548523 /nfs/dbraw/zinc/54/85/23/1015548523.db2.gz KDEROCHUOSHHPT-CQSZACIVSA-N 1 1 390.461 3.781 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001226808676 1032138679 /nfs/dbraw/zinc/13/86/79/1032138679.db2.gz WYPVSCIIPUAUOJ-VLIAUNLRSA-N 1 1 396.422 3.967 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001227124964 1032279811 /nfs/dbraw/zinc/27/98/11/1032279811.db2.gz URNSABZSBVTZGL-OAHLLOKOSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001227124964 1032279818 /nfs/dbraw/zinc/27/98/18/1032279818.db2.gz URNSABZSBVTZGL-OAHLLOKOSA-N 1 1 388.395 3.564 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2nc3ccc([N+](=O)[O-])cc3o2)O1 ZINC001227232205 1032334170 /nfs/dbraw/zinc/33/41/70/1032334170.db2.gz OAHQHCXEWGHSPL-QGZVFWFLSA-N 1 1 397.431 3.794 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2nc3ccc([N+](=O)[O-])cc3o2)O1 ZINC001227232205 1032334178 /nfs/dbraw/zinc/33/41/78/1032334178.db2.gz OAHQHCXEWGHSPL-QGZVFWFLSA-N 1 1 397.431 3.794 20 5 GHBDMO Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)c2ccnc3c2ccc2cccnc23)C1 ZINC001155810206 1032718008 /nfs/dbraw/zinc/71/80/08/1032718008.db2.gz GYVMSKZNJREJST-KRWDZBQOSA-N 1 1 384.439 3.780 20 5 GHBDMO CSCC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000932589524 1018499686 /nfs/dbraw/zinc/49/96/86/1018499686.db2.gz GRGOGCLELQOYGD-UHFFFAOYSA-N 1 1 382.873 3.873 20 5 GHBDMO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ncccc12 ZINC001228138449 1032805554 /nfs/dbraw/zinc/80/55/54/1032805554.db2.gz LAKVTTMGFJUNKL-SFHVURJKSA-N 1 1 393.443 3.813 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801573336 1021413120 /nfs/dbraw/zinc/41/31/20/1021413120.db2.gz LPVNWLNHRYYSJO-FQEVSTJZSA-N 1 1 393.484 3.730 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801573336 1021413127 /nfs/dbraw/zinc/41/31/27/1021413127.db2.gz LPVNWLNHRYYSJO-FQEVSTJZSA-N 1 1 393.484 3.730 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000755031056 1023033203 /nfs/dbraw/zinc/03/32/03/1023033203.db2.gz SEDPZZSLRKMKBS-DGCLKSJQSA-N 1 1 399.289 3.694 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000755066254 1023056641 /nfs/dbraw/zinc/05/66/41/1023056641.db2.gz PJURCXVOKCPGBR-HOCLYGCPSA-N 1 1 393.484 3.871 20 5 GHBDMO O=c1oc2ccccc2c(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228803282 1033104985 /nfs/dbraw/zinc/10/49/85/1033104985.db2.gz YFXZCJAEGAJUAS-MRXNPFEDSA-N 1 1 380.400 3.745 20 5 GHBDMO CCc1ccc(-c2noc([C@H](C)[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000755168160 1023107460 /nfs/dbraw/zinc/10/74/60/1023107460.db2.gz QWFNSXKVYVLAGG-UGSOOPFHSA-N 1 1 382.420 3.591 20 5 GHBDMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755192407 1023118365 /nfs/dbraw/zinc/11/83/65/1023118365.db2.gz BMZHLQHSJRJYJK-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000836785146 1023365020 /nfs/dbraw/zinc/36/50/20/1023365020.db2.gz NFNAMTNXOYEEAH-MRXNPFEDSA-N 1 1 387.867 3.809 20 5 GHBDMO COc1ccc(CC(=O)O[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000755874752 1023414239 /nfs/dbraw/zinc/41/42/39/1023414239.db2.gz SRFHWVUTHMKFEP-LPHOPBHVSA-N 1 1 398.459 3.600 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000755879418 1023416542 /nfs/dbraw/zinc/41/65/42/1023416542.db2.gz MCVYNLPXIRROKX-WBVHZDCISA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@@H](Oc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229006528 1033228050 /nfs/dbraw/zinc/22/80/50/1033228050.db2.gz ANWIFSIOBMLQTH-IIBYNOLFSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@@H](Oc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229006528 1033228066 /nfs/dbraw/zinc/22/80/66/1033228066.db2.gz ANWIFSIOBMLQTH-IIBYNOLFSA-N 1 1 393.443 3.811 20 5 GHBDMO Cc1nc(NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)ncc1[N+](=O)[O-] ZINC001162033334 1025552388 /nfs/dbraw/zinc/55/23/88/1025552388.db2.gz SVGKCOVDEDIUTE-UHFFFAOYSA-N 1 1 395.385 3.789 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC001162120411 1025617115 /nfs/dbraw/zinc/61/71/15/1025617115.db2.gz NZTIZVNGVIPHFN-UHFFFAOYSA-N 1 1 384.480 3.798 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC001162530605 1025781583 /nfs/dbraw/zinc/78/15/83/1025781583.db2.gz JUEGDOWZFQJXNO-SJORKVTESA-N 1 1 398.507 3.538 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccccc1Br ZINC000832679948 1025831215 /nfs/dbraw/zinc/83/12/15/1025831215.db2.gz MFXSFDCDHOTJHC-QGZVFWFLSA-N 1 1 379.254 3.565 20 5 GHBDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000839501243 1025988172 /nfs/dbraw/zinc/98/81/72/1025988172.db2.gz QYFAMKDYHXEXIQ-LBPRGKRZSA-N 1 1 377.828 3.975 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000839501243 1025988176 /nfs/dbraw/zinc/98/81/76/1025988176.db2.gz QYFAMKDYHXEXIQ-LBPRGKRZSA-N 1 1 377.828 3.975 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N3CCC(Oc4cc[nH+]cc4C)CC3)c2c1 ZINC001163165296 1026073141 /nfs/dbraw/zinc/07/31/41/1026073141.db2.gz ALDIPFRLDZKCLY-UHFFFAOYSA-N 1 1 394.431 3.903 20 5 GHBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)c1cccc(Br)c1 ZINC000839644898 1026158394 /nfs/dbraw/zinc/15/83/94/1026158394.db2.gz YHXCYERPZXYKNB-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO COCC[N@@H+](C)[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001163385193 1026170552 /nfs/dbraw/zinc/17/05/52/1026170552.db2.gz INWWIRGDGPTZQD-INIZCTEOSA-N 1 1 382.823 3.514 20 5 GHBDMO C[N@H+]1C[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](c2ccccc2)C1 ZINC001163578684 1026240998 /nfs/dbraw/zinc/24/09/98/1026240998.db2.gz ZSSVEWDOPMWYFK-ZBFHGGJFSA-N 1 1 377.391 3.954 20 5 GHBDMO COc1nc(C)c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1[N+](=O)[O-] ZINC001164491647 1026529703 /nfs/dbraw/zinc/52/97/03/1026529703.db2.gz FXSUFXWRWOMBQU-FGTMMUONSA-N 1 1 382.464 3.629 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000840221303 1027356683 /nfs/dbraw/zinc/35/66/83/1027356683.db2.gz YPLUVSOEDDTQMU-CQSZACIVSA-N 1 1 375.450 3.750 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001141891527 1027604284 /nfs/dbraw/zinc/60/42/84/1027604284.db2.gz WQRIEJWLJSQCNZ-YWZLYKJASA-N 1 1 385.439 3.966 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001141891527 1027604292 /nfs/dbraw/zinc/60/42/92/1027604292.db2.gz WQRIEJWLJSQCNZ-YWZLYKJASA-N 1 1 385.439 3.966 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001142263528 1028522673 /nfs/dbraw/zinc/52/26/73/1028522673.db2.gz DFKUGRMKSXOWFE-SFHVURJKSA-N 1 1 385.489 3.882 20 5 GHBDMO COC(=O)c1ccc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001223414315 1030565260 /nfs/dbraw/zinc/56/52/60/1030565260.db2.gz BYNBCEAWIRGNSI-IERDGZPVSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001223448527 1030578926 /nfs/dbraw/zinc/57/89/26/1030578926.db2.gz NXRBITWUTWQIDU-HRAATJIYSA-N 1 1 398.459 3.809 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cnc2cc[nH]cc1-2 ZINC001152979868 1031416335 /nfs/dbraw/zinc/41/63/35/1031416335.db2.gz QIAZTXMJZOZAKX-UHFFFAOYSA-N 1 1 397.438 3.820 20 5 GHBDMO Cc1ccc(N2CCC[C@@H](Oc3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)[nH+]c1 ZINC001225893819 1031679319 /nfs/dbraw/zinc/67/93/19/1031679319.db2.gz ZAFZOTAVRFIDFP-CYBMUJFWSA-N 1 1 382.342 3.760 20 5 GHBDMO C[N@@H+]1CCN(C(=O)c2cccc3nc4ccccc4nc32)[C@H](c2ccccc2)C1 ZINC001153863188 1031777571 /nfs/dbraw/zinc/77/75/71/1031777571.db2.gz LEUQUUCTNHPUIS-QFIPXVFZSA-N 1 1 382.467 3.912 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cccc3nc4ccccc4nc32)[C@H](c2ccccc2)C1 ZINC001153863188 1031777580 /nfs/dbraw/zinc/77/75/80/1031777580.db2.gz LEUQUUCTNHPUIS-QFIPXVFZSA-N 1 1 382.467 3.912 20 5 GHBDMO Cc1c(CNC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001226215751 1031857850 /nfs/dbraw/zinc/85/78/50/1031857850.db2.gz FFFKUERDWPHIEX-SJORKVTESA-N 1 1 396.491 3.708 20 5 GHBDMO C[NH+](C)CC(=O)Nc1ccc2nc(O[C@H]3CCCCC3=O)c3ccccc3c2c1 ZINC001229808987 1033733031 /nfs/dbraw/zinc/73/30/31/1033733031.db2.gz YIERCRNANCKFFF-NRFANRHFSA-N 1 1 391.471 3.779 20 5 GHBDMO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232222062 1035170194 /nfs/dbraw/zinc/17/01/94/1035170194.db2.gz GYPXAIZVHDOAGM-QGZVFWFLSA-N 1 1 387.487 3.648 20 5 GHBDMO CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232222062 1035170197 /nfs/dbraw/zinc/17/01/97/1035170197.db2.gz GYPXAIZVHDOAGM-QGZVFWFLSA-N 1 1 387.487 3.648 20 5 GHBDMO C[NH2+][C@@H](COC(C)(C)C)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248221773 1035655055 /nfs/dbraw/zinc/65/50/55/1035655055.db2.gz XLPWIOFEAZMSQN-INIZCTEOSA-N 1 1 377.448 3.909 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1[N+](=O)[O-] ZINC001233577939 1039454782 /nfs/dbraw/zinc/45/47/82/1039454782.db2.gz LYDWTDCOLYTIEX-JFIYKMOQSA-N 1 1 383.404 3.792 20 5 GHBDMO CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1O[C@H]1C[NH+]2CCC1CC2 ZINC001233829370 1039650902 /nfs/dbraw/zinc/65/09/02/1039650902.db2.gz IOTJOUFSKPCXEH-FQEVSTJZSA-N 1 1 396.443 3.849 20 5 GHBDMO COc1ccc(C[N@@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 ZINC001254479921 1040265621 /nfs/dbraw/zinc/26/56/21/1040265621.db2.gz QBVWKVYJTJRHTP-UHFFFAOYSA-N 1 1 385.464 3.713 20 5 GHBDMO CN(CC[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC001254482539 1040269574 /nfs/dbraw/zinc/26/95/74/1040269574.db2.gz KIFBZOLPHPZOIB-UHFFFAOYSA-N 1 1 382.508 3.627 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001254550605 1040319965 /nfs/dbraw/zinc/31/99/65/1040319965.db2.gz NCDHNGRBEHPUKG-NVXWUHKLSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001254552245 1040321750 /nfs/dbraw/zinc/32/17/50/1040321750.db2.gz JKKXXOQDNSINGO-HRAATJIYSA-N 1 1 389.496 3.859 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001254558245 1040327979 /nfs/dbraw/zinc/32/79/79/1040327979.db2.gz UBWSEGCAZJUWBC-LKUPVBHCSA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001254560776 1040333560 /nfs/dbraw/zinc/33/35/60/1040333560.db2.gz YDPFTQJNKMNLFR-HOTGVXAUSA-N 1 1 377.485 3.763 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001254562940 1040335947 /nfs/dbraw/zinc/33/59/47/1040335947.db2.gz SBFVDSSNJWSMAO-SFGWALBWSA-N 1 1 397.475 3.623 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001254569067 1040344883 /nfs/dbraw/zinc/34/48/83/1040344883.db2.gz HLJLZTZSHHKRML-INMHGKMJSA-N 1 1 377.485 3.903 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001254569066 1040345254 /nfs/dbraw/zinc/34/52/54/1040345254.db2.gz HLJLZTZSHHKRML-HLLBOEOZSA-N 1 1 377.485 3.903 20 5 GHBDMO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610614 1040382803 /nfs/dbraw/zinc/38/28/03/1040382803.db2.gz LTPNYLWWNDBAOZ-WIYYLYMNSA-N 1 1 380.444 3.517 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255486616 1041082721 /nfs/dbraw/zinc/08/27/21/1041082721.db2.gz KEIJIJILUZGDCX-HNNXBMFYSA-N 1 1 380.404 3.643 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255487567 1041085247 /nfs/dbraw/zinc/08/52/47/1041085247.db2.gz PSRDHPUJQJBFLM-AWEZNQCLSA-N 1 1 395.375 3.543 20 5 GHBDMO COc1ccc(C[N@@H+](C)C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 ZINC001256095665 1041523345 /nfs/dbraw/zinc/52/33/45/1041523345.db2.gz KMNNBKAOAKKCFN-UHFFFAOYSA-N 1 1 385.464 3.713 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@@H]3c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001256098986 1041526120 /nfs/dbraw/zinc/52/61/20/1041526120.db2.gz IGGAJPBRVAYTAI-LJQANCHMSA-N 1 1 382.464 3.804 20 5 GHBDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000553406973 1045215787 /nfs/dbraw/zinc/21/57/87/1045215787.db2.gz SQRCHGFUJHXXOC-AWEZNQCLSA-N 1 1 393.447 3.687 20 5 GHBDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)CC1 ZINC001296061151 1045237866 /nfs/dbraw/zinc/23/78/66/1045237866.db2.gz VKJPNAKWLULUCB-IBGZPJMESA-N 1 1 398.511 3.574 20 5 GHBDMO CC[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC001296188469 1045275885 /nfs/dbraw/zinc/27/58/85/1045275885.db2.gz JYFXERBSDFRFQT-SFHVURJKSA-N 1 1 399.516 3.810 20 5 GHBDMO CC[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001296188469 1045275887 /nfs/dbraw/zinc/27/58/87/1045275887.db2.gz JYFXERBSDFRFQT-SFHVURJKSA-N 1 1 399.516 3.810 20 5 GHBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC001301379027 1046515494 /nfs/dbraw/zinc/51/54/94/1046515494.db2.gz MYGNTXKQUBCHEK-HNNXBMFYSA-N 1 1 385.489 3.960 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001301866778 1046735168 /nfs/dbraw/zinc/73/51/68/1046735168.db2.gz DCYCNZOLEYHEIH-GWHIEVBUSA-N 1 1 379.460 3.635 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001266224083 1047718831 /nfs/dbraw/zinc/71/88/31/1047718831.db2.gz BYTGUIBFWCYZRG-HUUCEWRRSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001266224083 1047718833 /nfs/dbraw/zinc/71/88/33/1047718833.db2.gz BYTGUIBFWCYZRG-HUUCEWRRSA-N 1 1 387.867 3.983 20 5 GHBDMO CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001306641404 1048783140 /nfs/dbraw/zinc/78/31/40/1048783140.db2.gz KNUNLECAJNVGCF-LPHOPBHVSA-N 1 1 398.511 3.716 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001287508495 1048801102 /nfs/dbraw/zinc/80/11/02/1048801102.db2.gz ZMWRXRNUHTWVJM-MRXNPFEDSA-N 1 1 390.443 3.662 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC001306995054 1048997084 /nfs/dbraw/zinc/99/70/84/1048997084.db2.gz JPYWBUGJQGKBHK-OAHLLOKOSA-N 1 1 391.855 3.952 20 5 GHBDMO C[C@H]1C[C@H](CCNc2cc(F)c([N+](=O)[O-])cc2CO)C[N@H+]1Cc1ccccc1 ZINC001307073137 1049055635 /nfs/dbraw/zinc/05/56/35/1049055635.db2.gz QAXRWPNNHOSWMT-RDJZCZTQSA-N 1 1 387.455 3.939 20 5 GHBDMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001307170660 1049117314 /nfs/dbraw/zinc/11/73/14/1049117314.db2.gz ISXIERAVCULENL-OAHLLOKOSA-N 1 1 382.851 3.905 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001307502607 1049342982 /nfs/dbraw/zinc/34/29/82/1049342982.db2.gz ZFEODZWMQWKOQV-ROUUACIJSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001307502608 1049343499 /nfs/dbraw/zinc/34/34/99/1049343499.db2.gz ZFEODZWMQWKOQV-ZWKOTPCHSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001290994783 1049966617 /nfs/dbraw/zinc/96/66/17/1049966617.db2.gz MXSNFNDMKQJQSC-IYBDPMFKSA-N 1 1 375.513 3.990 20 5 GHBDMO Cc1nn(-c2ccccc2F)cc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001308627859 1050039334 /nfs/dbraw/zinc/03/93/34/1050039334.db2.gz PTZOQEDKRZYGJU-UHFFFAOYSA-N 1 1 395.438 3.550 20 5 GHBDMO O=c1[nH]c2cc(C[NH2+]Cc3cc(Br)c([N+](=O)[O-])s3)ccc2o1 ZINC001308929829 1050187578 /nfs/dbraw/zinc/18/75/78/1050187578.db2.gz DWTRNZMBAUANSU-UHFFFAOYSA-N 1 1 384.211 3.555 20 5 GHBDMO Cc1c(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311258201 1051972535 /nfs/dbraw/zinc/97/25/35/1051972535.db2.gz HCZLAPSAYIYVMI-LBPRGKRZSA-N 1 1 388.390 3.775 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001311498483 1052204207 /nfs/dbraw/zinc/20/42/07/1052204207.db2.gz WHHQIUJAFVXCQZ-MRXNPFEDSA-N 1 1 384.480 3.995 20 5 GHBDMO CC[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312432827 1052741321 /nfs/dbraw/zinc/74/13/21/1052741321.db2.gz KCTGLESJZGHBQY-UTKZUKDTSA-N 1 1 396.491 3.962 20 5 GHBDMO CC[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312432827 1052741324 /nfs/dbraw/zinc/74/13/24/1052741324.db2.gz KCTGLESJZGHBQY-UTKZUKDTSA-N 1 1 396.491 3.962 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001319459107 1055260810 /nfs/dbraw/zinc/26/08/10/1055260810.db2.gz WVACRVYITVIQNN-SJLPKXTDSA-N 1 1 396.491 3.667 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001321241893 1056180124 /nfs/dbraw/zinc/18/01/24/1056180124.db2.gz ZRBWGESUKLETRP-RDJZCZTQSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001321241893 1056180132 /nfs/dbraw/zinc/18/01/32/1056180132.db2.gz ZRBWGESUKLETRP-RDJZCZTQSA-N 1 1 377.803 3.563 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001321552441 1056312360 /nfs/dbraw/zinc/31/23/60/1056312360.db2.gz YGBZYMNWKZKORD-UHFFFAOYSA-N 1 1 375.469 3.948 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001321552441 1056312378 /nfs/dbraw/zinc/31/23/78/1056312378.db2.gz YGBZYMNWKZKORD-UHFFFAOYSA-N 1 1 375.469 3.948 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001354513244 1056730166 /nfs/dbraw/zinc/73/01/66/1056730166.db2.gz BNQVZJMOGOKDGX-SFHVURJKSA-N 1 1 397.475 3.903 20 5 GHBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001472843482 1056944838 /nfs/dbraw/zinc/94/48/38/1056944838.db2.gz ISVXQBQBBWERLJ-HXUWFJFHSA-N 1 1 391.418 3.606 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)CC2 ZINC001323754424 1057008752 /nfs/dbraw/zinc/00/87/52/1057008752.db2.gz SIFYALSZVSBAAX-HNNXBMFYSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)CC2 ZINC001323754424 1057008758 /nfs/dbraw/zinc/00/87/58/1057008758.db2.gz SIFYALSZVSBAAX-HNNXBMFYSA-N 1 1 397.258 3.700 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477262 1057114365 /nfs/dbraw/zinc/11/43/65/1057114365.db2.gz SDVUEASHLVSEKS-UYAOXDASSA-N 1 1 395.459 3.714 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477262 1057114368 /nfs/dbraw/zinc/11/43/68/1057114368.db2.gz SDVUEASHLVSEKS-UYAOXDASSA-N 1 1 395.459 3.714 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001324433784 1057134091 /nfs/dbraw/zinc/13/40/91/1057134091.db2.gz RPSUKUPQALQBGG-CVEARBPZSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001324433784 1057134093 /nfs/dbraw/zinc/13/40/93/1057134093.db2.gz RPSUKUPQALQBGG-CVEARBPZSA-N 1 1 377.803 3.563 20 5 GHBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848544307 1057164518 /nfs/dbraw/zinc/16/45/18/1057164518.db2.gz LOKHZQGGQLRFKY-HXUWFJFHSA-N 1 1 381.476 3.823 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001356354270 1057486719 /nfs/dbraw/zinc/48/67/19/1057486719.db2.gz GRMHEHGFNXOVNB-LSDHHAIUSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001356354270 1057486727 /nfs/dbraw/zinc/48/67/27/1057486727.db2.gz GRMHEHGFNXOVNB-LSDHHAIUSA-N 1 1 387.867 3.983 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC001454115238 1061608206 /nfs/dbraw/zinc/60/82/06/1061608206.db2.gz GZXYWKGZBNHYBS-UHFFFAOYSA-N 1 1 396.491 3.692 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC001347067640 1062087029 /nfs/dbraw/zinc/08/70/29/1062087029.db2.gz OZVMCMPTBPWQHX-UHFFFAOYSA-N 1 1 394.431 3.761 20 5 GHBDMO C[C@H](c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC001435094467 1062288715 /nfs/dbraw/zinc/28/87/15/1062288715.db2.gz ZWFQBAQVPHZUJX-GQWLDOHISA-N 1 1 395.459 3.730 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001435996277 1063077222 /nfs/dbraw/zinc/07/72/22/1063077222.db2.gz PQLAXPQRBBVUJW-OAQYLSRUSA-N 1 1 381.476 3.852 20 5 GHBDMO COc1ccccc1C[NH+]1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC001458156607 1063610824 /nfs/dbraw/zinc/61/08/24/1063610824.db2.gz LAQCODKFDUGBFQ-UHFFFAOYSA-N 1 1 396.422 3.613 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC001458565347 1063895169 /nfs/dbraw/zinc/89/51/69/1063895169.db2.gz RQGLMOBKZPARBJ-CYBMUJFWSA-N 1 1 391.269 3.636 20 5 GHBDMO Cc1cccc(C[N@@H+]2CCO[C@H](CNc3ccc([N+](=O)[O-])c4cnccc34)C2)c1 ZINC001458610694 1063904540 /nfs/dbraw/zinc/90/45/40/1063904540.db2.gz VCJFDFRIQIWNTO-GOSISDBHSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1cccc(C[N@H+]2CCO[C@H](CNc3ccc([N+](=O)[O-])c4cnccc34)C2)c1 ZINC001458610694 1063904544 /nfs/dbraw/zinc/90/45/44/1063904544.db2.gz VCJFDFRIQIWNTO-GOSISDBHSA-N 1 1 392.459 3.764 20 5 GHBDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC001458661108 1063913720 /nfs/dbraw/zinc/91/37/20/1063913720.db2.gz XZKPXGMBBMTNBM-QGZVFWFLSA-N 1 1 375.448 3.532 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001459621904 1064146988 /nfs/dbraw/zinc/14/69/88/1064146988.db2.gz ZTKUSLDFZSLWIK-HNNXBMFYSA-N 1 1 379.258 3.699 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001459621904 1064146991 /nfs/dbraw/zinc/14/69/91/1064146991.db2.gz ZTKUSLDFZSLWIK-HNNXBMFYSA-N 1 1 379.258 3.699 20 5 GHBDMO CN(C(=O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1)c1ccc([N+](=O)[O-])cc1 ZINC001459625810 1064148852 /nfs/dbraw/zinc/14/88/52/1064148852.db2.gz XUCFQXQTNJMIMO-QHCPKHFHSA-N 1 1 393.487 3.928 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC001459741605 1064195634 /nfs/dbraw/zinc/19/56/34/1064195634.db2.gz SIEICGHKBOZUGL-LJQANCHMSA-N 1 1 388.439 3.918 20 5 GHBDMO COc1ccc(OCCN[C@H](C[NH+]2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC001459939620 1064288125 /nfs/dbraw/zinc/28/81/25/1064288125.db2.gz YMVHZUYFZWKKEW-HXUWFJFHSA-N 1 1 399.491 3.799 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001467084754 1067057083 /nfs/dbraw/zinc/05/70/83/1067057083.db2.gz MQVAWAWCHKJVFM-CYBMUJFWSA-N 1 1 383.880 3.607 20 5 GHBDMO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001468996801 1067948076 /nfs/dbraw/zinc/94/80/76/1067948076.db2.gz VEDNTLCBNLTIRZ-KZNAEPCWSA-N 1 1 396.491 3.788 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC001460205018 1068858571 /nfs/dbraw/zinc/85/85/71/1068858571.db2.gz YALHFOKUNPWBRG-FQEVSTJZSA-N 1 1 378.469 3.936 20 5 GHBDMO CCOc1cc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001460258727 1068889020 /nfs/dbraw/zinc/88/90/20/1068889020.db2.gz QYRTVIYJQRAZTH-GDBMZVCRSA-N 1 1 378.469 3.793 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC001460277671 1068903058 /nfs/dbraw/zinc/90/30/58/1068903058.db2.gz PQODUDCSJVCULP-HNNXBMFYSA-N 1 1 381.432 3.582 20 5 GHBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001460301384 1068913905 /nfs/dbraw/zinc/91/39/05/1068913905.db2.gz VLIRYNZIMBAAMP-NRFANRHFSA-N 1 1 383.492 3.959 20 5 GHBDMO CC(C)N(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001460301384 1068913910 /nfs/dbraw/zinc/91/39/10/1068913910.db2.gz VLIRYNZIMBAAMP-NRFANRHFSA-N 1 1 383.492 3.959 20 5 GHBDMO CC(C)N(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001460301384 1068913913 /nfs/dbraw/zinc/91/39/13/1068913913.db2.gz VLIRYNZIMBAAMP-NRFANRHFSA-N 1 1 383.492 3.959 20 5 GHBDMO CC[C@H](NC(=O)NCC[N@@H+](CC)CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001478366878 1078835859 /nfs/dbraw/zinc/83/58/59/1078835859.db2.gz XNBCLAHHPPEUBY-HNNXBMFYSA-N 1 1 390.406 3.619 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001470780782 1072736991 /nfs/dbraw/zinc/73/69/91/1072736991.db2.gz OPWMIMUYQGAFHV-JXFKEZNVSA-N 1 1 399.516 3.714 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001471029011 1072892366 /nfs/dbraw/zinc/89/23/66/1072892366.db2.gz WPHRCJFYMGVHLA-RDJZCZTQSA-N 1 1 392.459 3.574 20 5 GHBDMO CC[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001472753512 1073651103 /nfs/dbraw/zinc/65/11/03/1073651103.db2.gz TVBLJSPCKBVURG-LJQANCHMSA-N 1 1 380.492 3.969 20 5 GHBDMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC001472790084 1073666462 /nfs/dbraw/zinc/66/64/62/1073666462.db2.gz JCHLQMDGVPSOAI-LJQANCHMSA-N 1 1 383.496 3.554 20 5 GHBDMO Cc1cccc(C[N@@H+]2CCO[C@H](CNc3ccc4ncccc4c3[N+](=O)[O-])C2)c1 ZINC001472855929 1073696126 /nfs/dbraw/zinc/69/61/26/1073696126.db2.gz SCJGONKDJJFRBJ-GOSISDBHSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1cccc(C[N@H+]2CCO[C@H](CNc3ccc4ncccc4c3[N+](=O)[O-])C2)c1 ZINC001472855929 1073696134 /nfs/dbraw/zinc/69/61/34/1073696134.db2.gz SCJGONKDJJFRBJ-GOSISDBHSA-N 1 1 392.459 3.764 20 5 GHBDMO C[C@@H](NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001479212940 1079155667 /nfs/dbraw/zinc/15/56/67/1079155667.db2.gz NZWTZOQNPOTKJR-RCCFBDPRSA-N 1 1 396.491 3.960 20 5 GHBDMO C[C@@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccccc1[N+](=O)[O-] ZINC001479212819 1079155697 /nfs/dbraw/zinc/15/56/97/1079155697.db2.gz GKEFJXAGRZUESX-RCCFBDPRSA-N 1 1 388.512 3.952 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001473178967 1073835922 /nfs/dbraw/zinc/83/59/22/1073835922.db2.gz BHDSIEAKICAGGJ-FVJLSDCUSA-N 1 1 379.460 3.887 20 5 GHBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001473237819 1073881581 /nfs/dbraw/zinc/88/15/81/1073881581.db2.gz NYTNNDXJDKNTKC-ZWKOTPCHSA-N 1 1 377.485 3.757 20 5 GHBDMO O=C1[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccc(F)cc1 ZINC001473486671 1073985762 /nfs/dbraw/zinc/98/57/62/1073985762.db2.gz MQGIYWYUQDYPJJ-JXFKEZNVSA-N 1 1 383.423 3.719 20 5 GHBDMO O=C1[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccc(F)cc1 ZINC001473486671 1073985768 /nfs/dbraw/zinc/98/57/68/1073985768.db2.gz MQGIYWYUQDYPJJ-JXFKEZNVSA-N 1 1 383.423 3.719 20 5 GHBDMO CCOc1cc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001473568652 1074020789 /nfs/dbraw/zinc/02/07/89/1074020789.db2.gz CHMUZYZDIBVHBO-CTNGQTDRSA-N 1 1 381.476 3.700 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)ccc1[N+](=O)[O-] ZINC001473581805 1074029432 /nfs/dbraw/zinc/02/94/32/1074029432.db2.gz FFZBMXWMYYDSPR-TZIWHRDSSA-N 1 1 384.476 3.952 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC001473747340 1074120964 /nfs/dbraw/zinc/12/09/64/1074120964.db2.gz HWHMEWGTGZAEGB-XXBNENTESA-N 1 1 395.503 3.503 20 5 GHBDMO COc1cc2c(cc1OC)C1(CCC1)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001473802064 1074149445 /nfs/dbraw/zinc/14/94/45/1074149445.db2.gz ONHYXYYZBBSMEG-UHFFFAOYSA-N 1 1 398.459 3.928 20 5 GHBDMO C[C@@]1(Cc2cccs2)CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473846760 1074172863 /nfs/dbraw/zinc/17/28/63/1074172863.db2.gz PONCLMQSKZMNOE-SFHVURJKSA-N 1 1 394.518 3.527 20 5 GHBDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473846760 1074172865 /nfs/dbraw/zinc/17/28/65/1074172865.db2.gz PONCLMQSKZMNOE-SFHVURJKSA-N 1 1 394.518 3.527 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001473853048 1074176950 /nfs/dbraw/zinc/17/69/50/1074176950.db2.gz BJFYXXUKFKLWHZ-OAGGEKHMSA-N 1 1 375.469 3.845 20 5 GHBDMO C[C@H]1CN(c2ccccc2C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC001474318148 1074340348 /nfs/dbraw/zinc/34/03/48/1074340348.db2.gz AKUGEBLLHFXDLH-KRWDZBQOSA-N 1 1 381.476 3.985 20 5 GHBDMO COC(=O)/C=C/c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC001474494046 1074431099 /nfs/dbraw/zinc/43/10/99/1074431099.db2.gz JCMXBJIZISLYFQ-SNAWJCMRSA-N 1 1 384.310 3.683 20 5 GHBDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(C)C ZINC001496124516 1079457300 /nfs/dbraw/zinc/45/73/00/1079457300.db2.gz UOPBZPTXGOZPTO-MRXNPFEDSA-N 1 1 388.516 3.676 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721211 720358400 /nfs/dbraw/zinc/35/84/00/720358400.db2.gz BQMAZZNELYFEMR-KBPBESRZSA-N 1 1 394.262 3.545 20 5 GHBDMO Cc1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c([N+](=O)[O-])c1 ZINC001164839774 720662252 /nfs/dbraw/zinc/66/22/52/720662252.db2.gz KEUHTPVTZXIWLM-LJQANCHMSA-N 1 1 396.491 3.558 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000180727977 837500483 /nfs/dbraw/zinc/50/04/83/837500483.db2.gz NTCHWFUKDPQBSN-MOPGFXCFSA-N 1 1 384.480 3.775 20 5 GHBDMO COc1cc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000180752490 837514645 /nfs/dbraw/zinc/51/46/45/837514645.db2.gz PUCCBELOPRYFOO-UHFFFAOYSA-N 1 1 394.855 3.650 20 5 GHBDMO COc1cc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000180752490 837514651 /nfs/dbraw/zinc/51/46/51/837514651.db2.gz PUCCBELOPRYFOO-UHFFFAOYSA-N 1 1 394.855 3.650 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000176578953 837682788 /nfs/dbraw/zinc/68/27/88/837682788.db2.gz BPORYZMDEWONKN-WMZOPIPTSA-N 1 1 399.516 3.856 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000577541210 834463506 /nfs/dbraw/zinc/46/35/06/834463506.db2.gz OTNHUFLCBOKZSC-HNNXBMFYSA-N 1 1 393.390 3.891 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000577541210 834463512 /nfs/dbraw/zinc/46/35/12/834463512.db2.gz OTNHUFLCBOKZSC-HNNXBMFYSA-N 1 1 393.390 3.891 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000510067910 834811344 /nfs/dbraw/zinc/81/13/44/834811344.db2.gz BGPFWVTZYYPEJX-WBVHZDCISA-N 1 1 385.439 3.764 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000608833295 834871611 /nfs/dbraw/zinc/87/16/11/834871611.db2.gz JSIDOZRQLCIQES-HNNXBMFYSA-N 1 1 375.469 3.977 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000412214663 837817247 /nfs/dbraw/zinc/81/72/47/837817247.db2.gz GODKOLQAZSXTHL-FXAWDEMLSA-N 1 1 383.448 3.557 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CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155225573 836599363 /nfs/dbraw/zinc/59/93/63/836599363.db2.gz ZGLHQFMAXMALFW-LBPRGKRZSA-N 1 1 399.289 3.553 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247055717 836687106 /nfs/dbraw/zinc/68/71/06/836687106.db2.gz PGGMQTYHZXDGNF-DLBZAZTESA-N 1 1 385.489 3.783 20 5 GHBDMO CNC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180248199 836857105 /nfs/dbraw/zinc/85/71/05/836857105.db2.gz LIZOHKPCMIWGHF-NRFANRHFSA-N 1 1 375.428 3.834 20 5 GHBDMO CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc21 ZINC001167206944 836905756 /nfs/dbraw/zinc/90/57/56/836905756.db2.gz WVYUDIFNXZWRHH-HXUWFJFHSA-N 1 1 379.460 3.883 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473499397 844247586 /nfs/dbraw/zinc/24/75/86/844247586.db2.gz SFSKXNZRUUTTOV-JOCHJYFZSA-N 1 1 379.460 3.723 20 5 GHBDMO 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CCc1[nH+]ccn1[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000110585832 840210668 /nfs/dbraw/zinc/21/06/68/840210668.db2.gz QTTWSSQPTXJLSP-ZDUSSCGKSA-N 1 1 379.258 3.958 20 5 GHBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000512557510 844517811 /nfs/dbraw/zinc/51/78/11/844517811.db2.gz SOMGOMZLSNSZBK-KBPBESRZSA-N 1 1 399.438 3.713 20 5 GHBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000512557510 844517817 /nfs/dbraw/zinc/51/78/17/844517817.db2.gz SOMGOMZLSNSZBK-KBPBESRZSA-N 1 1 399.438 3.713 20 5 GHBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000512557511 844518328 /nfs/dbraw/zinc/51/83/28/844518328.db2.gz SOMGOMZLSNSZBK-KGLIPLIRSA-N 1 1 399.438 3.713 20 5 GHBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000512557511 844518331 /nfs/dbraw/zinc/51/83/31/844518331.db2.gz SOMGOMZLSNSZBK-KGLIPLIRSA-N 1 1 399.438 3.713 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000110870620 840779753 /nfs/dbraw/zinc/77/97/53/840779753.db2.gz JYMIWNPPCSHYEK-UHFFFAOYSA-N 1 1 385.464 3.520 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000511838235 840916681 /nfs/dbraw/zinc/91/66/81/840916681.db2.gz MZAXCMDXEQLESR-NMIHRBCNSA-N 1 1 382.460 3.603 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584867201 841131357 /nfs/dbraw/zinc/13/13/57/841131357.db2.gz ACZJNWUITZDNAV-RTBURBONSA-N 1 1 394.475 3.889 20 5 GHBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000566521426 841255975 /nfs/dbraw/zinc/25/59/75/841255975.db2.gz HFSKYSGKFLEVCQ-CYBMUJFWSA-N 1 1 398.301 3.612 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)C2(CO)CCCC2)c2c(c1)COCO2 ZINC000599433142 861204330 /nfs/dbraw/zinc/20/43/30/861204330.db2.gz BQDHBKWSBXJNTB-UHFFFAOYSA-N 1 1 398.459 3.769 20 5 GHBDMO O=C(CC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000500133031 841500357 /nfs/dbraw/zinc/50/03/57/841500357.db2.gz OSJLCHXMTCNXIU-UHFFFAOYSA-N 1 1 391.431 3.589 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000500213157 841657241 /nfs/dbraw/zinc/65/72/41/841657241.db2.gz JLLUEUIWHMNPJN-OAQYLSRUSA-N 1 1 383.448 3.596 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000500213157 841657246 /nfs/dbraw/zinc/65/72/46/841657246.db2.gz JLLUEUIWHMNPJN-OAQYLSRUSA-N 1 1 383.448 3.596 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000603840647 861242112 /nfs/dbraw/zinc/24/21/12/861242112.db2.gz PGKDOSOPXLWCMQ-IEBWSBKVSA-N 1 1 376.840 3.825 20 5 GHBDMO C[N@H+](CCCCO)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000276430903 841895853 /nfs/dbraw/zinc/89/58/53/841895853.db2.gz SGZVFKYVVFOXGW-GOSISDBHSA-N 1 1 391.855 3.632 20 5 GHBDMO C[N@@H+](CCCCO)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000276430903 841895858 /nfs/dbraw/zinc/89/58/58/841895858.db2.gz SGZVFKYVVFOXGW-GOSISDBHSA-N 1 1 391.855 3.632 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)s2)cc1 ZINC000600206289 861276356 /nfs/dbraw/zinc/27/63/56/861276356.db2.gz DLOZMNBARSMNCH-YPBQGGFRSA-N 1 1 376.503 3.809 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000603859479 861284441 /nfs/dbraw/zinc/28/44/41/861284441.db2.gz BDVVNBWDPYSBLP-INIZCTEOSA-N 1 1 383.477 3.601 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000603859479 861284456 /nfs/dbraw/zinc/28/44/56/861284456.db2.gz BDVVNBWDPYSBLP-INIZCTEOSA-N 1 1 383.477 3.601 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000512104128 842506062 /nfs/dbraw/zinc/50/60/62/842506062.db2.gz HKIJEFJACRHEOC-LSDHHAIUSA-N 1 1 399.447 3.560 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000512104128 842506071 /nfs/dbraw/zinc/50/60/71/842506071.db2.gz HKIJEFJACRHEOC-LSDHHAIUSA-N 1 1 399.447 3.560 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000600230525 861316706 /nfs/dbraw/zinc/31/67/06/861316706.db2.gz TUQPPOWJXPBNSE-GOSISDBHSA-N 1 1 394.475 3.794 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600230622 861317312 /nfs/dbraw/zinc/31/73/12/861317312.db2.gz WWDCPDNOONSLGS-MRXNPFEDSA-N 1 1 377.510 3.844 20 5 GHBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)c1 ZINC000510492210 842611013 /nfs/dbraw/zinc/61/10/13/842611013.db2.gz QOCXGCFIBLHNME-UHFFFAOYSA-N 1 1 377.391 3.561 20 5 GHBDMO C[N@@H+](Cc1ccccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000187550140 842644529 /nfs/dbraw/zinc/64/45/29/842644529.db2.gz ZOLDVXCRDOGAGG-UHFFFAOYSA-N 1 1 384.436 3.712 20 5 GHBDMO COc1cc(C)c(C[N@H+](C)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1OC ZINC000728896289 842694214 /nfs/dbraw/zinc/69/42/14/842694214.db2.gz PUENMAAUQLSHMQ-UHFFFAOYSA-N 1 1 396.447 3.873 20 5 GHBDMO COc1cc(C)c(C[N@@H+](C)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1OC ZINC000728896289 842694219 /nfs/dbraw/zinc/69/42/19/842694219.db2.gz PUENMAAUQLSHMQ-UHFFFAOYSA-N 1 1 396.447 3.873 20 5 GHBDMO CN(C(=O)C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000603890275 861336754 /nfs/dbraw/zinc/33/67/54/861336754.db2.gz XHJDBHUXKDOQSO-KRWDZBQOSA-N 1 1 392.459 3.919 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000279240309 842758951 /nfs/dbraw/zinc/75/89/51/842758951.db2.gz FVWBAXJPTWBNKT-HNNXBMFYSA-N 1 1 399.447 3.639 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188207007 842815728 /nfs/dbraw/zinc/81/57/28/842815728.db2.gz RPRHQHWWYZPUSN-GOEBONIOSA-N 1 1 385.489 3.710 20 5 GHBDMO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000512185578 842833053 /nfs/dbraw/zinc/83/30/53/842833053.db2.gz KFAJZUXRNHSJKS-JXFKEZNVSA-N 1 1 388.489 3.842 20 5 GHBDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000512185578 842833061 /nfs/dbraw/zinc/83/30/61/842833061.db2.gz KFAJZUXRNHSJKS-JXFKEZNVSA-N 1 1 388.489 3.842 20 5 GHBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000107690929 842876420 /nfs/dbraw/zinc/87/64/20/842876420.db2.gz LYEQBTFDPOWTSD-HZPDHXFCSA-N 1 1 384.432 3.561 20 5 GHBDMO CC(C)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000481437953 861363150 /nfs/dbraw/zinc/36/31/50/861363150.db2.gz QAUWABSRGCJZLC-TZIWHRDSSA-N 1 1 399.491 3.765 20 5 GHBDMO Cc1ccnc(N2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000510561475 842966309 /nfs/dbraw/zinc/96/63/09/842966309.db2.gz WJJBTRFFHMQHCC-UHFFFAOYSA-N 1 1 378.432 3.880 20 5 GHBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580875 843075784 /nfs/dbraw/zinc/07/57/84/843075784.db2.gz SBFDVIHTIQKGJM-CYBMUJFWSA-N 1 1 378.392 3.510 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000024672971 843079807 /nfs/dbraw/zinc/07/98/07/843079807.db2.gz VQEQTXVYSFPABX-HNNXBMFYSA-N 1 1 383.448 3.843 20 5 GHBDMO COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510643735 843120891 /nfs/dbraw/zinc/12/08/91/843120891.db2.gz HNHYHIPKDUEINS-PMACEKPBSA-N 1 1 398.459 3.936 20 5 GHBDMO COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510643735 843120898 /nfs/dbraw/zinc/12/08/98/843120898.db2.gz HNHYHIPKDUEINS-PMACEKPBSA-N 1 1 398.459 3.936 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@@H]1c1ccccc1 ZINC000302838114 861382916 /nfs/dbraw/zinc/38/29/16/861382916.db2.gz YGOPWPFMJGRWQQ-CTNGQTDRSA-N 1 1 394.475 3.688 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000603919630 861401465 /nfs/dbraw/zinc/40/14/65/861401465.db2.gz STUKJJWGQCTTBR-MSOLQXFVSA-N 1 1 380.448 3.695 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(OCc4ccccc4)CC3)o2)cc1 ZINC000302908680 861403631 /nfs/dbraw/zinc/40/36/31/861403631.db2.gz HGELDRHAXODISZ-UHFFFAOYSA-N 1 1 394.431 3.826 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000128626804 843447709 /nfs/dbraw/zinc/44/77/09/843447709.db2.gz BYTCPASAMBXMSX-OAHLLOKOSA-N 1 1 378.432 3.817 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000247476984 843560983 /nfs/dbraw/zinc/56/09/83/843560983.db2.gz QROAQROLRPSASR-LFUKPOHLSA-N 1 1 396.491 3.551 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(-c4ccccc4Cl)on3)C2)nc1 ZINC000419225011 844884489 /nfs/dbraw/zinc/88/44/89/844884489.db2.gz ODSUIXYIFUMTNA-CYBMUJFWSA-N 1 1 399.838 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4Cl)on3)C2)nc1 ZINC000419225011 844884492 /nfs/dbraw/zinc/88/44/92/844884492.db2.gz ODSUIXYIFUMTNA-CYBMUJFWSA-N 1 1 399.838 3.985 20 5 GHBDMO C[N@@H+](CCS[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)Cc1ccccc1 ZINC000433038795 845041110 /nfs/dbraw/zinc/04/11/10/845041110.db2.gz LLRXTUUJMNNJQO-IBGZPJMESA-N 1 1 385.489 3.565 20 5 GHBDMO CSc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000513293305 845193484 /nfs/dbraw/zinc/19/34/84/845193484.db2.gz DYUVZXRUGWEBGJ-QGZVFWFLSA-N 1 1 385.489 3.711 20 5 GHBDMO CCCCO[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000611560797 845430888 /nfs/dbraw/zinc/43/08/88/845430888.db2.gz YNKINUPJHOGRLH-OTWHNJEPSA-N 1 1 386.496 3.991 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)nc1 ZINC000538738560 845601038 /nfs/dbraw/zinc/60/10/38/845601038.db2.gz DIEPHEIYBBLLHZ-GFCCVEGCSA-N 1 1 384.333 3.834 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)nc1 ZINC000538738560 845601045 /nfs/dbraw/zinc/60/10/45/845601045.db2.gz DIEPHEIYBBLLHZ-GFCCVEGCSA-N 1 1 384.333 3.834 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119639559 845731182 /nfs/dbraw/zinc/73/11/82/845731182.db2.gz XAKCQGUPXDZFHM-GFCCVEGCSA-N 1 1 398.301 3.598 20 5 GHBDMO C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000320783414 846018142 /nfs/dbraw/zinc/01/81/42/846018142.db2.gz JMAVJAPULKJFOE-KRWDZBQOSA-N 1 1 376.254 3.850 20 5 GHBDMO COc1cc(C[NH2+]Cc2cc(C)nc(C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000421367042 846180414 /nfs/dbraw/zinc/18/04/14/846180414.db2.gz AYQMFCWIIVSFFL-UHFFFAOYSA-N 1 1 399.369 3.846 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000157919802 846253524 /nfs/dbraw/zinc/25/35/24/846253524.db2.gz SHKAWTRNOISOEK-HNNXBMFYSA-N 1 1 380.404 3.643 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421506714 846314785 /nfs/dbraw/zinc/31/47/85/846314785.db2.gz KDRXMKHJWKJDCZ-IEBWSBKVSA-N 1 1 381.476 3.852 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421506708 846315213 /nfs/dbraw/zinc/31/52/13/846315213.db2.gz KDRXMKHJWKJDCZ-HKUYNNGSSA-N 1 1 381.476 3.852 20 5 GHBDMO CN(C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000511080799 846432663 /nfs/dbraw/zinc/43/26/63/846432663.db2.gz KLZMBDITLBMMQA-OAQYLSRUSA-N 1 1 381.476 3.605 20 5 GHBDMO CN(C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000511080799 846432675 /nfs/dbraw/zinc/43/26/75/846432675.db2.gz KLZMBDITLBMMQA-OAQYLSRUSA-N 1 1 381.476 3.605 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000843817943 861696215 /nfs/dbraw/zinc/69/62/15/861696215.db2.gz TYUJRVHIMOELKN-RHSMWYFYSA-N 1 1 385.439 3.825 20 5 GHBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413236596 847005167 /nfs/dbraw/zinc/00/51/67/847005167.db2.gz RGZCMIWYFNQUNM-NSHDSACASA-N 1 1 386.399 3.953 20 5 GHBDMO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511107747 847022917 /nfs/dbraw/zinc/02/29/17/847022917.db2.gz ORZIRKARZIQLRL-GFCCVEGCSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511107747 847022925 /nfs/dbraw/zinc/02/29/25/847022925.db2.gz ORZIRKARZIQLRL-GFCCVEGCSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000599832784 861762135 /nfs/dbraw/zinc/76/21/35/861762135.db2.gz JTFKSTIWWXFWSN-GJZGRUSLSA-N 1 1 397.479 3.918 20 5 GHBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])c2C1 ZINC000158323288 847279167 /nfs/dbraw/zinc/27/91/67/847279167.db2.gz PBUJAJGJOAXFPZ-UHFFFAOYSA-N 1 1 382.464 3.641 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511134516 847370114 /nfs/dbraw/zinc/37/01/14/847370114.db2.gz AMHSGRSUXLGZME-ZDUSSCGKSA-N 1 1 393.390 3.698 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511134516 847370126 /nfs/dbraw/zinc/37/01/26/847370126.db2.gz AMHSGRSUXLGZME-ZDUSSCGKSA-N 1 1 393.390 3.698 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc(CN2CCOCC2)c1)C1CC1 ZINC000420943482 847565284 /nfs/dbraw/zinc/56/52/84/847565284.db2.gz WWUIGLUIFMFBEN-UHFFFAOYSA-N 1 1 381.476 3.592 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc(CN2CCOCC2)c1)C1CC1 ZINC000420943482 847565288 /nfs/dbraw/zinc/56/52/88/847565288.db2.gz WWUIGLUIFMFBEN-UHFFFAOYSA-N 1 1 381.476 3.592 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cc(O)ccc3[N+](=O)[O-])C2)s1 ZINC000582849271 848554144 /nfs/dbraw/zinc/55/41/44/848554144.db2.gz TYJPEYSXINYPBL-OAHLLOKOSA-N 1 1 375.494 3.624 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cc(O)ccc3[N+](=O)[O-])C2)s1 ZINC000582849271 848554152 /nfs/dbraw/zinc/55/41/52/848554152.db2.gz TYJPEYSXINYPBL-OAHLLOKOSA-N 1 1 375.494 3.624 20 5 GHBDMO C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000612485982 848632892 /nfs/dbraw/zinc/63/28/92/848632892.db2.gz OMZOHGAITDMFJO-IRXDYDNUSA-N 1 1 399.466 3.960 20 5 GHBDMO O=C(Oc1ccccc1)N1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255562002 848860450 /nfs/dbraw/zinc/86/04/50/848860450.db2.gz NDDYYLNRCIYGNP-TWGQIWQCSA-N 1 1 381.432 3.815 20 5 GHBDMO O=C(Oc1ccccc1)N1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255562002 848860458 /nfs/dbraw/zinc/86/04/58/848860458.db2.gz NDDYYLNRCIYGNP-TWGQIWQCSA-N 1 1 381.432 3.815 20 5 GHBDMO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCC2)CC1 ZINC000583308710 849599507 /nfs/dbraw/zinc/59/95/07/849599507.db2.gz BRLMRBKOAHEOAI-UHFFFAOYSA-N 1 1 385.386 3.562 20 5 GHBDMO COc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000057364145 862061337 /nfs/dbraw/zinc/06/13/37/862061337.db2.gz FDPGZHYZUPNHQN-UHFFFAOYSA-N 1 1 391.427 3.921 20 5 GHBDMO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000505560582 849876225 /nfs/dbraw/zinc/87/62/25/849876225.db2.gz UPBQCEILXLEANX-UHFFFAOYSA-N 1 1 391.475 3.720 20 5 GHBDMO C[C@H](c1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000732075118 862067230 /nfs/dbraw/zinc/06/72/30/862067230.db2.gz ZDUMCGQPXKGUBI-LXYJIPTKSA-N 1 1 381.432 3.640 20 5 GHBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000435046987 850018501 /nfs/dbraw/zinc/01/85/01/850018501.db2.gz ZRIGKWMVSAUOHJ-CQSZACIVSA-N 1 1 393.871 3.661 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](c3ccc(C)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000426529124 850578790 /nfs/dbraw/zinc/57/87/90/850578790.db2.gz JSFCZBQPPHYIHU-APWZRJJASA-N 1 1 398.459 3.833 20 5 GHBDMO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487284868 850646938 /nfs/dbraw/zinc/64/69/38/850646938.db2.gz GAJBPYMFXJSBIJ-RDJZCZTQSA-N 1 1 393.443 3.981 20 5 GHBDMO CCc1ccc(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487311375 850681074 /nfs/dbraw/zinc/68/10/74/850681074.db2.gz CWXGXWOWRXYNJD-OXQOHEQNSA-N 1 1 381.476 3.798 20 5 GHBDMO Cn1cc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435734204 850821787 /nfs/dbraw/zinc/82/17/87/850821787.db2.gz WLAKMKHKJNLUIC-OAQYLSRUSA-N 1 1 397.523 3.882 20 5 GHBDMO Cn1cc(C[NH2+]C[C@H]2CCCN2C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435734204 850821791 /nfs/dbraw/zinc/82/17/91/850821791.db2.gz WLAKMKHKJNLUIC-OAQYLSRUSA-N 1 1 397.523 3.882 20 5 GHBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000604446937 862185798 /nfs/dbraw/zinc/18/57/98/862185798.db2.gz IXLVWOJLEFYJDJ-CQSZACIVSA-N 1 1 397.903 3.738 20 5 GHBDMO O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000505418072 851083672 /nfs/dbraw/zinc/08/36/72/851083672.db2.gz XDQAYMBCAZOWLP-UHFFFAOYSA-N 1 1 391.880 3.835 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[N@H+]1C ZINC000488217400 851275216 /nfs/dbraw/zinc/27/52/16/851275216.db2.gz NVLGVJURSCGJGW-HOCLYGCPSA-N 1 1 385.489 3.959 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CCc1cccs1 ZINC000488320669 851390921 /nfs/dbraw/zinc/39/09/21/851390921.db2.gz FQRRIDMXUTXZGO-UHFFFAOYSA-N 1 1 377.466 3.558 20 5 GHBDMO CC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488322712 851407632 /nfs/dbraw/zinc/40/76/32/851407632.db2.gz KNQPGSHXMNKIHM-ZDUSSCGKSA-N 1 1 377.466 3.557 20 5 GHBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000249394333 851843282 /nfs/dbraw/zinc/84/32/82/851843282.db2.gz GORFZEQRZJTIGX-HNAYVOBHSA-N 1 1 397.475 3.695 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000163125218 862290381 /nfs/dbraw/zinc/29/03/81/862290381.db2.gz PRAUZNGSXPOZNR-SFHVURJKSA-N 1 1 382.464 3.889 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3coc(-c4ccc(Cl)cc4)n3)CC2)n1 ZINC000489017677 851928021 /nfs/dbraw/zinc/92/80/21/851928021.db2.gz SRCKCQCKHRRKQA-UHFFFAOYSA-N 1 1 387.827 3.937 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000550220085 851992475 /nfs/dbraw/zinc/99/24/75/851992475.db2.gz KQPUWXDLTZEEHK-VXGBXAGGSA-N 1 1 398.301 3.516 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489330145 852236062 /nfs/dbraw/zinc/23/60/62/852236062.db2.gz MZDNDGPDJOOLBU-YLJYHZDGSA-N 1 1 396.491 3.928 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489342058 852244896 /nfs/dbraw/zinc/24/48/96/852244896.db2.gz VOPOOVMZWIOKBJ-GOEBONIOSA-N 1 1 376.501 3.774 20 5 GHBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000516221481 852282095 /nfs/dbraw/zinc/28/20/95/852282095.db2.gz ZJZPQMPRYFKQOX-HOTGVXAUSA-N 1 1 399.495 3.621 20 5 GHBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426002254 852373053 /nfs/dbraw/zinc/37/30/53/852373053.db2.gz ODJLBGVBFRXVJM-AEFFLSMTSA-N 1 1 392.459 3.650 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000507021774 852463666 /nfs/dbraw/zinc/46/36/66/852463666.db2.gz LGIIBDGTOSXFIC-PBHICJAKSA-N 1 1 380.448 3.727 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438507164 852507523 /nfs/dbraw/zinc/50/75/23/852507523.db2.gz VBPLTWBCDRPTDC-NRFANRHFSA-N 1 1 383.448 3.596 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000505934848 852620464 /nfs/dbraw/zinc/62/04/64/852620464.db2.gz FBJJKKFUYPXQCV-HZPDHXFCSA-N 1 1 384.480 3.803 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507215483 852679709 /nfs/dbraw/zinc/67/97/09/852679709.db2.gz YDXIFNDCRFHDRH-MRXNPFEDSA-N 1 1 383.448 3.730 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507215483 852679713 /nfs/dbraw/zinc/67/97/13/852679713.db2.gz YDXIFNDCRFHDRH-MRXNPFEDSA-N 1 1 383.448 3.730 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000490005096 852700850 /nfs/dbraw/zinc/70/08/50/852700850.db2.gz OPFUZKCQAFEIQJ-WMLDXEAASA-N 1 1 386.427 3.999 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000516602634 852766248 /nfs/dbraw/zinc/76/62/48/852766248.db2.gz RHVSVZQIELJKSK-CQSZACIVSA-N 1 1 393.390 3.979 20 5 GHBDMO Cc1cc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(N2CCCC2)[nH+]1 ZINC000516691182 852893902 /nfs/dbraw/zinc/89/39/02/852893902.db2.gz AWIRISLABFPHIN-UHFFFAOYSA-N 1 1 380.404 3.575 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000506036954 853031271 /nfs/dbraw/zinc/03/12/71/853031271.db2.gz PIBZJCPXSWDQNA-SFHVURJKSA-N 1 1 375.513 3.789 20 5 GHBDMO C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000437586879 853302850 /nfs/dbraw/zinc/30/28/50/853302850.db2.gz FFQKZUAGOAKXBN-DYESRHJHSA-N 1 1 399.516 3.925 20 5 GHBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000518428624 853335953 /nfs/dbraw/zinc/33/59/53/853335953.db2.gz VMSVXJYQTUDAMQ-KRWDZBQOSA-N 1 1 381.432 3.696 20 5 GHBDMO CCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729480148 853351784 /nfs/dbraw/zinc/35/17/84/853351784.db2.gz NKFWFRWBVTWBQA-INIZCTEOSA-N 1 1 381.448 3.955 20 5 GHBDMO CCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729480148 853351790 /nfs/dbraw/zinc/35/17/90/853351790.db2.gz NKFWFRWBVTWBQA-INIZCTEOSA-N 1 1 381.448 3.955 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437844495 853585617 /nfs/dbraw/zinc/58/56/17/853585617.db2.gz UWSAJQDRMWRNNK-CRAIPNDOSA-N 1 1 391.537 3.989 20 5 GHBDMO C[C@@H](NC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570933367 853650846 /nfs/dbraw/zinc/65/08/46/853650846.db2.gz UGMXBDKWWXHFCD-IERDGZPVSA-N 1 1 382.464 3.620 20 5 GHBDMO CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760656939 853659513 /nfs/dbraw/zinc/65/95/13/853659513.db2.gz NZOCFKAYNORTIV-DGDFFNOKSA-N 1 1 379.460 3.731 20 5 GHBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729482701 853745543 /nfs/dbraw/zinc/74/55/43/853745543.db2.gz CTJYCQAOPLIMPI-KRWDZBQOSA-N 1 1 393.484 3.825 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000520093498 853828191 /nfs/dbraw/zinc/82/81/91/853828191.db2.gz SGJVYIXVKATXFG-KRWDZBQOSA-N 1 1 396.491 3.698 20 5 GHBDMO CCOc1cc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000572312915 854459334 /nfs/dbraw/zinc/45/93/34/854459334.db2.gz PTHHBNUTUGZMGR-OAHLLOKOSA-N 1 1 384.354 3.836 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@@H](O)C1CC1 ZINC000589197036 854743651 /nfs/dbraw/zinc/74/36/51/854743651.db2.gz UWWWQCQBMOCWAX-MRXNPFEDSA-N 1 1 395.253 3.820 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000301458858 854754059 /nfs/dbraw/zinc/75/40/59/854754059.db2.gz ZLRRZDPKESILDX-SCLBCKFNSA-N 1 1 388.493 3.511 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000589335171 854796638 /nfs/dbraw/zinc/79/66/38/854796638.db2.gz NAUSJCRSZPBZRI-OALUTQOASA-N 1 1 394.475 3.889 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000589375739 854814242 /nfs/dbraw/zinc/81/42/42/854814242.db2.gz LHDDZQJHWHUSPS-IBGZPJMESA-N 1 1 382.464 3.895 20 5 GHBDMO C[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793304 854826335 /nfs/dbraw/zinc/82/63/35/854826335.db2.gz YVDPVYPKTCQXAO-XHSDSOJGSA-N 1 1 387.505 3.837 20 5 GHBDMO C[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793304 854826339 /nfs/dbraw/zinc/82/63/39/854826339.db2.gz YVDPVYPKTCQXAO-XHSDSOJGSA-N 1 1 387.505 3.837 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000589484895 854903503 /nfs/dbraw/zinc/90/35/03/854903503.db2.gz ASYSLIFMLRXUST-KRWDZBQOSA-N 1 1 385.439 3.766 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)c1 ZINC000589499739 854910249 /nfs/dbraw/zinc/91/02/49/854910249.db2.gz AJRLKTODLOCATD-MRXNPFEDSA-N 1 1 375.450 3.656 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)c1 ZINC000589499739 854910252 /nfs/dbraw/zinc/91/02/52/854910252.db2.gz AJRLKTODLOCATD-MRXNPFEDSA-N 1 1 375.450 3.656 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2Cc2ccccc2OC)c1 ZINC000589497589 854910308 /nfs/dbraw/zinc/91/03/08/854910308.db2.gz OOYONWNSEXINQH-SFHVURJKSA-N 1 1 384.432 3.597 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cscc3Br)C2)nc1 ZINC000572682752 854932720 /nfs/dbraw/zinc/93/27/20/854932720.db2.gz UFHRAFPJSGLWNT-NSHDSACASA-N 1 1 383.271 3.500 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cscc3Br)C2)nc1 ZINC000572682752 854932728 /nfs/dbraw/zinc/93/27/28/854932728.db2.gz UFHRAFPJSGLWNT-NSHDSACASA-N 1 1 383.271 3.500 20 5 GHBDMO COc1ccc2c(c1)CC[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000536351216 855028892 /nfs/dbraw/zinc/02/88/92/855028892.db2.gz SBCHURNUOICVDY-UHFFFAOYSA-N 1 1 393.443 3.902 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000045622686 855051409 /nfs/dbraw/zinc/05/14/09/855051409.db2.gz SYGDJTKSNODQMC-QGZVFWFLSA-N 1 1 396.491 3.969 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000536377629 855206076 /nfs/dbraw/zinc/20/60/76/855206076.db2.gz IKGRGNLKYVVOAT-UHFFFAOYSA-N 1 1 381.407 3.598 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301550803 855241650 /nfs/dbraw/zinc/24/16/50/855241650.db2.gz QTKQFVVEWXYAGD-KGLIPLIRSA-N 1 1 397.317 3.843 20 5 GHBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000301595116 855267838 /nfs/dbraw/zinc/26/78/38/855267838.db2.gz VKXINAJEXIHQDZ-MOPGFXCFSA-N 1 1 379.460 3.889 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000165881628 855318347 /nfs/dbraw/zinc/31/83/47/855318347.db2.gz YTNZHFRVQYGRJS-HXUWFJFHSA-N 1 1 397.475 3.913 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000760810580 855778356 /nfs/dbraw/zinc/77/83/56/855778356.db2.gz JQZPZISXIWKZEU-ZDUSSCGKSA-N 1 1 398.301 3.742 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000053086110 855902254 /nfs/dbraw/zinc/90/22/54/855902254.db2.gz XQIMCGNABLMCDO-CQSZACIVSA-N 1 1 391.830 3.693 20 5 GHBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000554600279 855936800 /nfs/dbraw/zinc/93/68/00/855936800.db2.gz GNQMZKHGBSOJMU-CQSZACIVSA-N 1 1 398.301 3.612 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000485011606 855992188 /nfs/dbraw/zinc/99/21/88/855992188.db2.gz ATIRJAKWEMQDDC-NWDGAFQWSA-N 1 1 386.399 3.533 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000026649055 856079790 /nfs/dbraw/zinc/07/97/90/856079790.db2.gz FXBOAAPYQFDKAY-UHFFFAOYSA-N 1 1 389.455 3.939 20 5 GHBDMO COc1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000171618280 856205057 /nfs/dbraw/zinc/20/50/57/856205057.db2.gz OTVGIEPEYWEIAO-UHFFFAOYSA-N 1 1 387.411 3.593 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000760881304 856209796 /nfs/dbraw/zinc/20/97/96/856209796.db2.gz QHQZOSHTSPKRCO-LYKDLARJSA-N 1 1 393.487 3.881 20 5 GHBDMO C[C@@H]1C[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301610671 856321809 /nfs/dbraw/zinc/32/18/09/856321809.db2.gz CRNTXVVLCGZQFJ-DNVCBOLYSA-N 1 1 394.475 3.562 20 5 GHBDMO CC(C)[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000067462475 856467364 /nfs/dbraw/zinc/46/73/64/856467364.db2.gz ZZRROABYHPBQDG-UHFFFAOYSA-N 1 1 385.420 3.563 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)C1CCCCC1)[C@H]1CC[C@H](O)CC1 ZINC000592132193 856675009 /nfs/dbraw/zinc/67/50/09/856675009.db2.gz AWCNVOCESUYJSE-SFHLNBCPSA-N 1 1 376.497 3.642 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCCC1CCOCC1)[C@H]1CC[C@H](O)CC1 ZINC000592132977 856678623 /nfs/dbraw/zinc/67/86/23/856678623.db2.gz QLOJTOUSUKJELT-MXVIHJGJSA-N 1 1 376.497 3.907 20 5 GHBDMO CO[C@H](Cc1ccccc1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133001 856679023 /nfs/dbraw/zinc/67/90/23/856679023.db2.gz QWQIRIAZYHGRFG-YPAWHYETSA-N 1 1 398.503 3.958 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000485532875 856706533 /nfs/dbraw/zinc/70/65/33/856706533.db2.gz PDEZVZCTBIWERI-HZPDHXFCSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001128807983 856736689 /nfs/dbraw/zinc/73/66/89/856736689.db2.gz FNXHKXBPTXNHSM-HSZRJFAPSA-N 1 1 393.487 3.950 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000173113300 856746821 /nfs/dbraw/zinc/74/68/21/856746821.db2.gz UNZKVSQSWNNNDK-FXAWDEMLSA-N 1 1 381.476 3.649 20 5 GHBDMO CN(C(=O)C[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000592188395 856791447 /nfs/dbraw/zinc/79/14/47/856791447.db2.gz QIIZUFBXZYXERL-OAQYLSRUSA-N 1 1 377.444 3.951 20 5 GHBDMO CN(C(=O)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000592188395 856791453 /nfs/dbraw/zinc/79/14/53/856791453.db2.gz QIIZUFBXZYXERL-OAQYLSRUSA-N 1 1 377.444 3.951 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c2c(c1)COCO2 ZINC000265675370 856802707 /nfs/dbraw/zinc/80/27/07/856802707.db2.gz ZATOUMNGIFZPBX-UHFFFAOYSA-N 1 1 392.415 3.627 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c2c(c1)COCO2 ZINC000265675370 856802719 /nfs/dbraw/zinc/80/27/19/856802719.db2.gz ZATOUMNGIFZPBX-UHFFFAOYSA-N 1 1 392.415 3.627 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000542930495 856883242 /nfs/dbraw/zinc/88/32/42/856883242.db2.gz QMAWTQIPKYKTPM-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000542930495 856883252 /nfs/dbraw/zinc/88/32/52/856883252.db2.gz QMAWTQIPKYKTPM-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173868422 857170355 /nfs/dbraw/zinc/17/03/55/857170355.db2.gz KXYLNXQCGXHIKH-HIFRSBDPSA-N 1 1 381.498 3.538 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1 ZINC000593029908 857185469 /nfs/dbraw/zinc/18/54/69/857185469.db2.gz ZMXUGGLKDKELKF-GIPAHHNCSA-N 1 1 390.480 3.533 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000245929052 857201458 /nfs/dbraw/zinc/20/14/58/857201458.db2.gz UPDQSAHCIHQCSS-IAGOWNOFSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000245929052 857201462 /nfs/dbraw/zinc/20/14/62/857201462.db2.gz UPDQSAHCIHQCSS-IAGOWNOFSA-N 1 1 377.803 3.563 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400246 857210010 /nfs/dbraw/zinc/21/00/10/857210010.db2.gz NJKFEQZWLADMSC-GOSISDBHSA-N 1 1 388.855 3.519 20 5 GHBDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246095433 857230181 /nfs/dbraw/zinc/23/01/81/857230181.db2.gz AOSRTRFIRWGLDN-HZPDHXFCSA-N 1 1 397.479 3.627 20 5 GHBDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246095433 857230187 /nfs/dbraw/zinc/23/01/87/857230187.db2.gz AOSRTRFIRWGLDN-HZPDHXFCSA-N 1 1 397.479 3.627 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3[C@H]3CCCC[C@@H]3O)o2)c1 ZINC000281203988 862888467 /nfs/dbraw/zinc/88/84/67/862888467.db2.gz AQKNNCNOECHRHW-QRVBRYPASA-N 1 1 385.464 3.808 20 5 GHBDMO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000042640614 857417299 /nfs/dbraw/zinc/41/72/99/857417299.db2.gz GVPMZBZHXRMFJM-KRWDZBQOSA-N 1 1 398.507 3.862 20 5 GHBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000907088989 857476335 /nfs/dbraw/zinc/47/63/35/857476335.db2.gz ZISMPNCFTXUISO-DNVCBOLYSA-N 1 1 391.899 3.656 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000486424030 857724604 /nfs/dbraw/zinc/72/46/04/857724604.db2.gz USPYTFNPOUPQMG-AWEZNQCLSA-N 1 1 387.402 3.854 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3c(F)cc([N+](=O)[O-])cc3F)c2)CCO1 ZINC000301808200 857874265 /nfs/dbraw/zinc/87/42/65/857874265.db2.gz WSNQUCWURIHLLI-CYBMUJFWSA-N 1 1 377.391 3.706 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3c(F)cc([N+](=O)[O-])cc3F)c2)CCO1 ZINC000301808200 857874273 /nfs/dbraw/zinc/87/42/73/857874273.db2.gz WSNQUCWURIHLLI-CYBMUJFWSA-N 1 1 377.391 3.706 20 5 GHBDMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000027420854 858036168 /nfs/dbraw/zinc/03/61/68/858036168.db2.gz AKESUQVBOSBNKV-HXUWFJFHSA-N 1 1 395.459 3.720 20 5 GHBDMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000027420854 858036177 /nfs/dbraw/zinc/03/61/77/858036177.db2.gz AKESUQVBOSBNKV-HXUWFJFHSA-N 1 1 395.459 3.720 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000078570929 858106039 /nfs/dbraw/zinc/10/60/39/858106039.db2.gz IHNAIKCONMTTOW-UHFFFAOYSA-N 1 1 391.427 3.921 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001127162969 858185577 /nfs/dbraw/zinc/18/55/77/858185577.db2.gz RUZRWKLWBQDXAV-CABCVRRESA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001127162969 858185579 /nfs/dbraw/zinc/18/55/79/858185579.db2.gz RUZRWKLWBQDXAV-CABCVRRESA-N 1 1 387.867 3.983 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000567940934 863009164 /nfs/dbraw/zinc/00/91/64/863009164.db2.gz HUWAZWRARGCZBG-DNVCBOLYSA-N 1 1 399.516 3.957 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000595009203 858365187 /nfs/dbraw/zinc/36/51/87/858365187.db2.gz BCXLTILIYHQWSP-IEBWSBKVSA-N 1 1 383.492 3.819 20 5 GHBDMO CC[NH+]1CCN(C[C@H](C)CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000439107140 858394461 /nfs/dbraw/zinc/39/44/61/858394461.db2.gz LKFZSACGTISNLR-GFCCVEGCSA-N 1 1 375.300 3.587 20 5 GHBDMO CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000595554953 858566057 /nfs/dbraw/zinc/56/60/57/858566057.db2.gz TXIOBHSTWKPCPJ-PMUMKWKESA-N 1 1 387.436 3.802 20 5 GHBDMO CNc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000046845480 858580556 /nfs/dbraw/zinc/58/05/56/858580556.db2.gz HCBKRHKSHOFECB-INIZCTEOSA-N 1 1 396.491 3.941 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000543140649 858587319 /nfs/dbraw/zinc/58/73/19/858587319.db2.gz YNJXARJLXVSCJY-CRAIPNDOSA-N 1 1 392.402 3.840 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000543140649 858587324 /nfs/dbraw/zinc/58/73/24/858587324.db2.gz YNJXARJLXVSCJY-CRAIPNDOSA-N 1 1 392.402 3.840 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000593103738 858644272 /nfs/dbraw/zinc/64/42/72/858644272.db2.gz NNODLLUYEQWBRX-SJLPKXTDSA-N 1 1 399.466 3.693 20 5 GHBDMO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000059782618 858670421 /nfs/dbraw/zinc/67/04/21/858670421.db2.gz ZKWVIQAWMNZZNM-HNNXBMFYSA-N 1 1 389.477 3.622 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)s1 ZINC000595914674 858717536 /nfs/dbraw/zinc/71/75/36/858717536.db2.gz NVDZBUGPXNQXCS-LBPRGKRZSA-N 1 1 395.868 3.871 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)s1 ZINC000595914674 858717543 /nfs/dbraw/zinc/71/75/43/858717543.db2.gz NVDZBUGPXNQXCS-LBPRGKRZSA-N 1 1 395.868 3.871 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCCO)[C@H]3CCCc4ccccc43)nc2c1 ZINC000482697269 858773181 /nfs/dbraw/zinc/77/31/81/858773181.db2.gz VVOWQMMJKMRKKM-FQEVSTJZSA-N 1 1 380.448 3.733 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](Cc2ccco2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000060090390 858847645 /nfs/dbraw/zinc/84/76/45/858847645.db2.gz DBIIDTQWSNIWBF-QGZVFWFLSA-N 1 1 387.436 3.506 20 5 GHBDMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000543207975 858886962 /nfs/dbraw/zinc/88/69/62/858886962.db2.gz XRDQTRCXFIQCJR-HXUWFJFHSA-N 1 1 388.489 3.822 20 5 GHBDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000543207975 858886970 /nfs/dbraw/zinc/88/69/70/858886970.db2.gz XRDQTRCXFIQCJR-HXUWFJFHSA-N 1 1 388.489 3.822 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)O1 ZINC000596614016 858969050 /nfs/dbraw/zinc/96/90/50/858969050.db2.gz OICFUCOWXBZKJN-FZKQIMNGSA-N 1 1 398.394 3.746 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)O1 ZINC000596614016 858969056 /nfs/dbraw/zinc/96/90/56/858969056.db2.gz OICFUCOWXBZKJN-FZKQIMNGSA-N 1 1 398.394 3.746 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301924839 859033105 /nfs/dbraw/zinc/03/31/05/859033105.db2.gz MGWRCLUFGQQQKO-OAHLLOKOSA-N 1 1 380.452 3.624 20 5 GHBDMO CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170334587 881376793 /nfs/dbraw/zinc/37/67/93/881376793.db2.gz HAQGWZPBAFBQMH-YWZLYKJASA-N 1 1 378.469 3.590 20 5 GHBDMO COc1ccc(C[C@H](C)[NH2+]C2(c3cccc(Cl)c3)COC2)c([N+](=O)[O-])c1 ZINC001170306734 881382425 /nfs/dbraw/zinc/38/24/25/881382425.db2.gz AYVPLBDIMKDZCE-ZDUSSCGKSA-N 1 1 376.840 3.703 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494266015 881389667 /nfs/dbraw/zinc/38/96/67/881389667.db2.gz UIYDEQYGXGYZAS-YJBOKZPZSA-N 1 1 395.793 3.588 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c([N+](=O)[O-])c1 ZINC001170355653 881397541 /nfs/dbraw/zinc/39/75/41/881397541.db2.gz NZFUFWQDEPHELR-APWZRJJASA-N 1 1 385.464 3.781 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC[C@H]21 ZINC000249292244 859290805 /nfs/dbraw/zinc/29/08/05/859290805.db2.gz KZMJXDDNCWCGFF-SMDDNHRTSA-N 1 1 386.374 3.562 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355517 881405227 /nfs/dbraw/zinc/40/52/27/881405227.db2.gz HZLWWJFMXTZDIS-YTQUADARSA-N 1 1 381.476 3.603 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](Cn4ccnn4)C3)o2)c(Cl)c1 ZINC000597174183 859336371 /nfs/dbraw/zinc/33/63/71/859336371.db2.gz KXISAEUOIOVEET-CYBMUJFWSA-N 1 1 387.827 3.622 20 5 GHBDMO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000483437185 859372985 /nfs/dbraw/zinc/37/29/85/859372985.db2.gz HJDJNZQVVFUZEE-QGZVFWFLSA-N 1 1 399.422 3.723 20 5 GHBDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000483437185 859372993 /nfs/dbraw/zinc/37/29/93/859372993.db2.gz HJDJNZQVVFUZEE-QGZVFWFLSA-N 1 1 399.422 3.723 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])cc1 ZINC000593324745 859409283 /nfs/dbraw/zinc/40/92/83/859409283.db2.gz ZHTPNEVMGQJVMA-WIYYLYMNSA-N 1 1 391.475 3.824 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000611170549 859633329 /nfs/dbraw/zinc/63/33/29/859633329.db2.gz ZCDBIHVDYOJNAS-MRXNPFEDSA-N 1 1 379.420 3.728 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000611170549 859633330 /nfs/dbraw/zinc/63/33/30/859633330.db2.gz ZCDBIHVDYOJNAS-MRXNPFEDSA-N 1 1 379.420 3.728 20 5 GHBDMO CC[N@@H+](C[C@H]1CCOC1)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000611205198 859650005 /nfs/dbraw/zinc/65/00/05/859650005.db2.gz NBKJVDMSYSJURN-UTKZUKDTSA-N 1 1 397.475 3.941 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000474233616 859657719 /nfs/dbraw/zinc/65/77/19/859657719.db2.gz ORLRXYZXOWILIU-LJQANCHMSA-N 1 1 383.448 3.996 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000474233616 859657726 /nfs/dbraw/zinc/65/77/26/859657726.db2.gz ORLRXYZXOWILIU-LJQANCHMSA-N 1 1 383.448 3.996 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](c3nc4ccccc4o3)C1)OCCO2 ZINC000611253902 859664652 /nfs/dbraw/zinc/66/46/52/859664652.db2.gz MSJQSGUBOTVNRZ-CQSZACIVSA-N 1 1 395.415 3.887 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000602020053 859706495 /nfs/dbraw/zinc/70/64/95/859706495.db2.gz IOWKKVUECAYKPX-UZLBHIALSA-N 1 1 377.448 3.607 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] ZINC000765030081 859738438 /nfs/dbraw/zinc/73/84/38/859738438.db2.gz SIDMNHWXOGIPHX-FQEVSTJZSA-N 1 1 375.469 3.736 20 5 GHBDMO Cc1nn(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000765071447 859765271 /nfs/dbraw/zinc/76/52/71/859765271.db2.gz YADKZOSZWQYWNJ-LJQANCHMSA-N 1 1 380.448 3.544 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c2c(c1)COCO2 ZINC000185317292 859886396 /nfs/dbraw/zinc/88/63/96/859886396.db2.gz VOHXBLCGVCXBIV-LBPRGKRZSA-N 1 1 376.359 3.729 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c2c(c1)COCO2 ZINC000185317292 859886401 /nfs/dbraw/zinc/88/64/01/859886401.db2.gz VOHXBLCGVCXBIV-LBPRGKRZSA-N 1 1 376.359 3.729 20 5 GHBDMO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602591175 860131892 /nfs/dbraw/zinc/13/18/92/860131892.db2.gz FTKCLNPOSNNRSW-UHFFFAOYSA-N 1 1 398.282 3.764 20 5 GHBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000499903376 860140349 /nfs/dbraw/zinc/14/03/49/860140349.db2.gz JGUWVNOVSSMXET-RTBURBONSA-N 1 1 392.887 3.669 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)nc2c1 ZINC000602662101 860197778 /nfs/dbraw/zinc/19/77/78/860197778.db2.gz MDKHEPYXZKIRFM-AOIWGVFYSA-N 1 1 379.416 3.741 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000154608826 860199131 /nfs/dbraw/zinc/19/91/31/860199131.db2.gz FBQIRBNLWUZGGS-QGZVFWFLSA-N 1 1 392.459 3.652 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000124074411 860221277 /nfs/dbraw/zinc/22/12/77/860221277.db2.gz JKHZLEHZGLMREN-QGZVFWFLSA-N 1 1 388.512 3.637 20 5 GHBDMO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H](C)CS(C)(=O)=O ZINC000093390199 860263043 /nfs/dbraw/zinc/26/30/43/860263043.db2.gz JGUJEZUAORMGLB-CYBMUJFWSA-N 1 1 382.507 3.578 20 5 GHBDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H](C)CS(C)(=O)=O ZINC000093390199 860263055 /nfs/dbraw/zinc/26/30/55/860263055.db2.gz JGUJEZUAORMGLB-CYBMUJFWSA-N 1 1 382.507 3.578 20 5 GHBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1[N+](=O)[O-] ZINC000598395511 860278264 /nfs/dbraw/zinc/27/82/64/860278264.db2.gz DCXIYKUCBWCPPH-GOSISDBHSA-N 1 1 379.460 3.627 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154832902 860290589 /nfs/dbraw/zinc/29/05/89/860290589.db2.gz XAUJXUGCCPFZSQ-GOSISDBHSA-N 1 1 382.464 3.808 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602852687 860315062 /nfs/dbraw/zinc/31/50/62/860315062.db2.gz GBNXWWMCTGBHBE-WMLDXEAASA-N 1 1 379.420 3.980 20 5 GHBDMO Cn1cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093665708 860325673 /nfs/dbraw/zinc/32/56/73/860325673.db2.gz IROILENHOLNBHZ-FQEVSTJZSA-N 1 1 384.480 3.919 20 5 GHBDMO C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1C ZINC000542664525 860459771 /nfs/dbraw/zinc/45/97/71/860459771.db2.gz ZPRHNAWLKBWGMJ-CABCVRRESA-N 1 1 384.436 3.943 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124676768 860466757 /nfs/dbraw/zinc/46/67/57/860466757.db2.gz COHVAPCCQVKMMN-KRWDZBQOSA-N 1 1 399.495 3.561 20 5 GHBDMO CS(=O)(=O)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000552336606 860511512 /nfs/dbraw/zinc/51/15/12/860511512.db2.gz GOKOWIITIIPSQD-LJQANCHMSA-N 1 1 388.489 3.631 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000603249341 860586701 /nfs/dbraw/zinc/58/67/01/860586701.db2.gz GWAULHYORNGQHP-YCRPNKLZSA-N 1 1 377.448 3.881 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173085251 860727120 /nfs/dbraw/zinc/72/71/20/860727120.db2.gz YLDJRMIBYRRSDX-HNNXBMFYSA-N 1 1 397.353 3.774 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000603497581 860768395 /nfs/dbraw/zinc/76/83/95/860768395.db2.gz FAPFTGFLDAZSCG-HKUYNNGSSA-N 1 1 376.840 3.825 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1cccc(Br)c1 ZINC000125790503 860778396 /nfs/dbraw/zinc/77/83/96/860778396.db2.gz WYGKTKJQUHETGK-QGZVFWFLSA-N 1 1 379.254 3.565 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000593689843 860877771 /nfs/dbraw/zinc/87/77/71/860877771.db2.gz WXUCRLAUXQUXIE-BLEBADBPSA-N 1 1 392.864 3.746 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000593689843 860877785 /nfs/dbraw/zinc/87/77/85/860877785.db2.gz WXUCRLAUXQUXIE-BLEBADBPSA-N 1 1 392.864 3.746 20 5 GHBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603738660 861131975 /nfs/dbraw/zinc/13/19/75/861131975.db2.gz CBCNVVNJOIOXMW-UHFFFAOYSA-N 1 1 379.416 3.519 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159933955 863163753 /nfs/dbraw/zinc/16/37/53/863163753.db2.gz OYRBSBDKBPMKQG-ZDUSSCGKSA-N 1 1 398.301 3.742 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCS(=O)(=O)C3CCCCC3)C2)cc1 ZINC000856746099 881711172 /nfs/dbraw/zinc/71/11/72/881711172.db2.gz PHTPTIXMBIUSFL-QGZVFWFLSA-N 1 1 380.510 3.522 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCS(=O)(=O)C3CCCCC3)C2)cc1 ZINC000856746099 881711175 /nfs/dbraw/zinc/71/11/75/881711175.db2.gz PHTPTIXMBIUSFL-QGZVFWFLSA-N 1 1 380.510 3.522 20 5 GHBDMO COc1ccc(OCC[NH2+][C@H](Cc2ccccc2)c2ncco2)c([N+](=O)[O-])c1 ZINC000594055969 863946691 /nfs/dbraw/zinc/94/66/91/863946691.db2.gz PMYXJMAQNASHAZ-QGZVFWFLSA-N 1 1 383.404 3.544 20 5 GHBDMO CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475109418 864189563 /nfs/dbraw/zinc/18/95/63/864189563.db2.gz QUXGOJZCFSWFIJ-AEFFLSMTSA-N 1 1 397.475 3.901 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000173402413 864714909 /nfs/dbraw/zinc/71/49/09/864714909.db2.gz UFORKRMZEQHNDX-AWEZNQCLSA-N 1 1 385.445 3.574 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000173402413 864714913 /nfs/dbraw/zinc/71/49/13/864714913.db2.gz UFORKRMZEQHNDX-AWEZNQCLSA-N 1 1 385.445 3.574 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000499275749 881862921 /nfs/dbraw/zinc/86/29/21/881862921.db2.gz MSZAZOPKAWGDIP-SFHVURJKSA-N 1 1 378.375 3.812 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000499275749 881862938 /nfs/dbraw/zinc/86/29/38/881862938.db2.gz MSZAZOPKAWGDIP-SFHVURJKSA-N 1 1 378.375 3.812 20 5 GHBDMO CCS[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000480891980 865474282 /nfs/dbraw/zinc/47/42/82/865474282.db2.gz KEUOIRYHBOAXGV-ZFWWWQNUSA-N 1 1 381.498 3.538 20 5 GHBDMO CCS[C@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000480891980 865474288 /nfs/dbraw/zinc/47/42/88/865474288.db2.gz KEUOIRYHBOAXGV-ZFWWWQNUSA-N 1 1 381.498 3.538 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]C[C@H](CC(C)C)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000608835792 865736735 /nfs/dbraw/zinc/73/67/35/865736735.db2.gz RJDPVTRDSOGGOS-HNNXBMFYSA-N 1 1 375.469 3.929 20 5 GHBDMO C[C@H]1CN(CCCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000608837116 865740588 /nfs/dbraw/zinc/74/05/88/865740588.db2.gz QNMPNYFBAWVWFC-IRXDYDNUSA-N 1 1 387.480 3.834 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000534018927 865985246 /nfs/dbraw/zinc/98/52/46/865985246.db2.gz MISHWORJUGJKEJ-NVXWUHKLSA-N 1 1 393.365 3.789 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](Cc2ccccc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000475550316 866240488 /nfs/dbraw/zinc/24/04/88/866240488.db2.gz QIIVGPCSOIXTLX-UHFFFAOYSA-N 1 1 386.448 3.947 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065302508 866384891 /nfs/dbraw/zinc/38/48/91/866384891.db2.gz MCQAHCINYPLDIF-GOSISDBHSA-N 1 1 382.464 3.937 20 5 GHBDMO CC(=O)c1cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000553046047 866695379 /nfs/dbraw/zinc/69/53/79/866695379.db2.gz UBRMQOCLASVXBI-UHFFFAOYSA-N 1 1 381.476 3.942 20 5 GHBDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-n2cccn2)c1 ZINC000183569504 866855908 /nfs/dbraw/zinc/85/59/08/866855908.db2.gz DHUQPNHKEICLFH-CQSZACIVSA-N 1 1 390.403 3.681 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC4(CC3)OCCc3ccsc34)nc2c1 ZINC000444685093 867061068 /nfs/dbraw/zinc/06/10/68/867061068.db2.gz NCSRMOLITNNZNT-UHFFFAOYSA-N 1 1 384.461 3.597 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)o1 ZINC000183666902 867185501 /nfs/dbraw/zinc/18/55/01/867185501.db2.gz IXHJJIAKLPCGTH-UHFFFAOYSA-N 1 1 378.432 3.568 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000742399812 867259133 /nfs/dbraw/zinc/25/91/33/867259133.db2.gz TVIIVYYCZJZAJM-INIZCTEOSA-N 1 1 376.457 3.618 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444994937 867591839 /nfs/dbraw/zinc/59/18/39/867591839.db2.gz FYQWGMQJOMOEMX-QGZVFWFLSA-N 1 1 389.499 3.676 20 5 GHBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000553692797 867953480 /nfs/dbraw/zinc/95/34/80/867953480.db2.gz VYKINTASSVDOTO-SFHVURJKSA-N 1 1 397.475 3.778 20 5 GHBDMO Cc1c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000479671397 868300389 /nfs/dbraw/zinc/30/03/89/868300389.db2.gz KMQWPHJEENDXEY-UZLBHIALSA-N 1 1 396.491 3.613 20 5 GHBDMO Cc1ccc(N2CC[C@@H]([NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1 ZINC000743862764 868479312 /nfs/dbraw/zinc/47/93/12/868479312.db2.gz LWQAXHLSAFCVTL-OAQYLSRUSA-N 1 1 395.459 3.552 20 5 GHBDMO COc1ccc([C@H]2[C@H](COC(=O)c3cc(C)ccc3[N+](=O)[O-])CC[N@H+]2C)cc1 ZINC000744152724 868627776 /nfs/dbraw/zinc/62/77/76/868627776.db2.gz OWWBJARNEHRYMC-JXFKEZNVSA-N 1 1 384.432 3.762 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](O)c1ccc(C)cc1 ZINC000744420598 868807122 /nfs/dbraw/zinc/80/71/22/868807122.db2.gz OXVHQIPAMKBPMK-SFHVURJKSA-N 1 1 391.855 3.551 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](O)c1ccc(C)cc1 ZINC000744420598 868807132 /nfs/dbraw/zinc/80/71/32/868807132.db2.gz OXVHQIPAMKBPMK-SFHVURJKSA-N 1 1 391.855 3.551 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)c1ccc(C)cc1 ZINC000744420596 868807419 /nfs/dbraw/zinc/80/74/19/868807419.db2.gz OXVHQIPAMKBPMK-GOSISDBHSA-N 1 1 391.855 3.551 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)c1ccc(C)cc1 ZINC000744420596 868807437 /nfs/dbraw/zinc/80/74/37/868807437.db2.gz OXVHQIPAMKBPMK-GOSISDBHSA-N 1 1 391.855 3.551 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000535467463 868808279 /nfs/dbraw/zinc/80/82/79/868808279.db2.gz DPCAHUNOUWHPBE-DLBZAZTESA-N 1 1 393.365 3.789 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459658013 868934721 /nfs/dbraw/zinc/93/47/21/868934721.db2.gz IOMPZSJXEVKDRT-INIZCTEOSA-N 1 1 388.386 3.655 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] ZINC000793603422 882309405 /nfs/dbraw/zinc/30/94/05/882309405.db2.gz AMNKJFMOTDAXLL-FQEVSTJZSA-N 1 1 375.469 3.736 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)[C@H](C)C1 ZINC000462484567 869527374 /nfs/dbraw/zinc/52/73/74/869527374.db2.gz SKQFXPZDGDZOHA-AEFFLSMTSA-N 1 1 384.480 3.735 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1[N+](=O)[O-] ZINC000446208007 869545661 /nfs/dbraw/zinc/54/56/61/869545661.db2.gz WBZGGWOFFGTPFD-INIZCTEOSA-N 1 1 398.463 3.921 20 5 GHBDMO COc1ccc(CNCC[N@@H+]2CC[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539704667 869631035 /nfs/dbraw/zinc/63/10/35/869631035.db2.gz XVUSIVYEVYBUET-KRWDZBQOSA-N 1 1 399.491 3.614 20 5 GHBDMO COc1ccc(CNCC[N@H+]2CC[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539704667 869631043 /nfs/dbraw/zinc/63/10/43/869631043.db2.gz XVUSIVYEVYBUET-KRWDZBQOSA-N 1 1 399.491 3.614 20 5 GHBDMO CC[N@@H+](CCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000539836791 869878979 /nfs/dbraw/zinc/87/89/79/869878979.db2.gz GXGBPJUMHMOMCL-UHFFFAOYSA-N 1 1 383.242 3.822 20 5 GHBDMO Cc1ccc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000539861824 869913567 /nfs/dbraw/zinc/91/35/67/869913567.db2.gz LPAXTDNCARCIRO-ROUUACIJSA-N 1 1 375.513 3.615 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000462771525 870068811 /nfs/dbraw/zinc/06/88/11/870068811.db2.gz FPJYLTVLWIHTJW-DUXKGJEZSA-N 1 1 395.503 3.943 20 5 GHBDMO CC1(C)[C@H](O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000462867081 870245642 /nfs/dbraw/zinc/24/56/42/870245642.db2.gz RJFYKCZPVUWWRM-MRXNPFEDSA-N 1 1 395.253 3.963 20 5 GHBDMO COc1cc(CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000538717883 870411083 /nfs/dbraw/zinc/41/10/83/870411083.db2.gz GATFZMFYZPFAIS-QGZVFWFLSA-N 1 1 399.491 3.708 20 5 GHBDMO Cc1cnc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)s1 ZINC000538737365 870491181 /nfs/dbraw/zinc/49/11/81/870491181.db2.gz ZGALPOKWOOQBMO-UHFFFAOYSA-N 1 1 384.461 3.942 20 5 GHBDMO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850051 870533314 /nfs/dbraw/zinc/53/33/14/870533314.db2.gz UWXRJALKCDVFRX-UHFFFAOYSA-N 1 1 396.838 3.908 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(OCC(F)(F)F)cc3)nc2c1 ZINC000446840588 870566499 /nfs/dbraw/zinc/56/64/99/870566499.db2.gz GYMOYOWEWIAEKP-UHFFFAOYSA-N 1 1 380.326 3.702 20 5 GHBDMO CC(C)(C)OC(=O)N1CCCC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169013416 871098226 /nfs/dbraw/zinc/09/82/26/871098226.db2.gz UXEGUDKSYLLWJD-MBOZVWFJSA-N 1 1 381.517 3.687 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000463198287 871112583 /nfs/dbraw/zinc/11/25/83/871112583.db2.gz DENSMTACCNRUMX-YRMAPFEESA-N 1 1 380.460 3.894 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](C2CC2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169054545 871133838 /nfs/dbraw/zinc/13/38/38/871133838.db2.gz MPDOTNJSVRVTEQ-BQFCYCMXSA-N 1 1 381.517 3.543 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1)CC(C)C ZINC000539134731 871391141 /nfs/dbraw/zinc/39/11/41/871391141.db2.gz FCTQVCLZDSNAMI-UHFFFAOYSA-N 1 1 379.476 3.954 20 5 GHBDMO CCO[C@H](CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000552045609 871927994 /nfs/dbraw/zinc/92/79/94/871927994.db2.gz KSAXJMLZODWYGB-WOJBJXKFSA-N 1 1 386.496 3.993 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)c1ccccc1 ZINC000182214683 872044513 /nfs/dbraw/zinc/04/45/13/872044513.db2.gz MSJLDRFFMWRAAN-HNNXBMFYSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)c1ccccc1 ZINC000182214683 872044532 /nfs/dbraw/zinc/04/45/32/872044532.db2.gz MSJLDRFFMWRAAN-HNNXBMFYSA-N 1 1 387.867 3.890 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000475712369 882579065 /nfs/dbraw/zinc/57/90/65/882579065.db2.gz YDFDJTBRJBJTLR-VQIMIIECSA-N 1 1 398.459 3.600 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463629787 872219536 /nfs/dbraw/zinc/21/95/36/872219536.db2.gz KMDRKSUGYSOBEF-CQSZACIVSA-N 1 1 387.402 3.998 20 5 GHBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCSc2ccc(Br)cc21 ZINC000478005657 872342204 /nfs/dbraw/zinc/34/22/04/872342204.db2.gz WSBLTNWTFZRMEH-ZDUSSCGKSA-N 1 1 397.298 3.723 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001195507761 872456041 /nfs/dbraw/zinc/45/60/41/872456041.db2.gz AWAWQYWMMBJQJS-GUYCJALGSA-N 1 1 386.477 3.921 20 5 GHBDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447909202 872512197 /nfs/dbraw/zinc/51/21/97/872512197.db2.gz WAGXTERWHJWHLK-MGPUTAFESA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001195728868 872580414 /nfs/dbraw/zinc/58/04/14/872580414.db2.gz JXFCHMFBUHRTQU-GUDVDZBRSA-N 1 1 383.492 3.957 20 5 GHBDMO C[C@H](c1ccccc1F)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460350996 872795859 /nfs/dbraw/zinc/79/58/59/872795859.db2.gz LDDPEKCTUFRPSI-CQSZACIVSA-N 1 1 383.427 3.884 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000182841882 872845664 /nfs/dbraw/zinc/84/56/64/872845664.db2.gz BZCZTIRZLKCAPO-TZMCWYRMSA-N 1 1 385.917 3.529 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000475714849 882666852 /nfs/dbraw/zinc/66/68/52/882666852.db2.gz JUTMNJDUBBXPKH-UHFFFAOYSA-N 1 1 384.388 3.525 20 5 GHBDMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785198 872999620 /nfs/dbraw/zinc/99/96/20/872999620.db2.gz VOIYETWJMLKQJK-OAHLLOKOSA-N 1 1 389.883 3.942 20 5 GHBDMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785198 872999629 /nfs/dbraw/zinc/99/96/29/872999629.db2.gz VOIYETWJMLKQJK-OAHLLOKOSA-N 1 1 389.883 3.942 20 5 GHBDMO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768554441 873383643 /nfs/dbraw/zinc/38/36/43/873383643.db2.gz IOGRTEPLIPMKHY-UHFFFAOYSA-N 1 1 378.812 3.626 20 5 GHBDMO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768554441 873383651 /nfs/dbraw/zinc/38/36/51/873383651.db2.gz IOGRTEPLIPMKHY-UHFFFAOYSA-N 1 1 378.812 3.626 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000768916127 873684619 /nfs/dbraw/zinc/68/46/19/873684619.db2.gz SZWLRUAKVTVWLJ-KRWDZBQOSA-N 1 1 377.485 3.982 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)n1 ZINC000768940443 873706700 /nfs/dbraw/zinc/70/67/00/873706700.db2.gz JUDKQLWXUZKBGV-CQSZACIVSA-N 1 1 391.269 3.835 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)n1 ZINC000768940443 873706713 /nfs/dbraw/zinc/70/67/13/873706713.db2.gz JUDKQLWXUZKBGV-CQSZACIVSA-N 1 1 391.269 3.835 20 5 GHBDMO C[N@@H+](CCOc1ccc(Cl)cc1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026226449 873729110 /nfs/dbraw/zinc/72/91/10/873729110.db2.gz XKLAYYKYMYINMP-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001197668926 873957867 /nfs/dbraw/zinc/95/78/67/873957867.db2.gz RBEWVLQMYJYSJZ-HNNXBMFYSA-N 1 1 384.436 3.514 20 5 GHBDMO CCC1(CC)C[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000464582697 874105974 /nfs/dbraw/zinc/10/59/74/874105974.db2.gz XKBZSPMJBRYFMA-ZDUSSCGKSA-N 1 1 381.498 3.538 20 5 GHBDMO CCC1(CC)C[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000464582697 874105982 /nfs/dbraw/zinc/10/59/82/874105982.db2.gz XKBZSPMJBRYFMA-ZDUSSCGKSA-N 1 1 381.498 3.538 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](CSc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000464764731 874453035 /nfs/dbraw/zinc/45/30/35/874453035.db2.gz XPOYRGVPMKUVHQ-INIZCTEOSA-N 1 1 397.500 3.598 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464766658 874459277 /nfs/dbraw/zinc/45/92/77/874459277.db2.gz UWMLVBSYBOYQMW-MRXNPFEDSA-N 1 1 385.489 3.956 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464766658 874459284 /nfs/dbraw/zinc/45/92/84/874459284.db2.gz UWMLVBSYBOYQMW-MRXNPFEDSA-N 1 1 385.489 3.956 20 5 GHBDMO C[C@H](CCN(C)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000770148702 874500642 /nfs/dbraw/zinc/50/06/42/874500642.db2.gz IYOIOPZHJPSTCS-MRXNPFEDSA-N 1 1 386.452 3.845 20 5 GHBDMO C[C@H](CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000770148702 874500660 /nfs/dbraw/zinc/50/06/60/874500660.db2.gz IYOIOPZHJPSTCS-MRXNPFEDSA-N 1 1 386.452 3.845 20 5 GHBDMO C[C@H](CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000770148702 874500670 /nfs/dbraw/zinc/50/06/70/874500670.db2.gz IYOIOPZHJPSTCS-MRXNPFEDSA-N 1 1 386.452 3.845 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](CSc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000464772741 874504067 /nfs/dbraw/zinc/50/40/67/874504067.db2.gz LZZNWWIOMDQHSK-MRXNPFEDSA-N 1 1 397.500 3.598 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000541942853 874568702 /nfs/dbraw/zinc/56/87/02/874568702.db2.gz FOSYWNKNTJZHBW-UHFFFAOYSA-N 1 1 393.390 3.578 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000449467345 874923611 /nfs/dbraw/zinc/92/36/11/874923611.db2.gz IWDLWEPGIGWBEK-HQRMLTQVSA-N 1 1 386.448 3.989 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000542209272 875185953 /nfs/dbraw/zinc/18/59/53/875185953.db2.gz AHDCRVFLGYRECW-DLBZAZTESA-N 1 1 376.840 3.825 20 5 GHBDMO Cc1cccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000465196630 875305739 /nfs/dbraw/zinc/30/57/39/875305739.db2.gz WNKKNDACULZGFY-HNNXBMFYSA-N 1 1 383.448 3.876 20 5 GHBDMO Cc1cc(-c2noc([C@@H](C)[NH2+]CCOc3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000544514398 875606158 /nfs/dbraw/zinc/60/61/58/875606158.db2.gz YASHCIFBWWIUFU-CYBMUJFWSA-N 1 1 386.383 3.822 20 5 GHBDMO CC[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000029911337 875663339 /nfs/dbraw/zinc/66/33/39/875663339.db2.gz CTPZMUAMIIKPAZ-KRWDZBQOSA-N 1 1 399.516 3.883 20 5 GHBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2cccn2)c(F)c1 ZINC000549893460 875783120 /nfs/dbraw/zinc/78/31/20/875783120.db2.gz MROGWTANHAKATF-LBPRGKRZSA-N 1 1 380.383 3.647 20 5 GHBDMO COc1cc(NC2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000176370515 875792562 /nfs/dbraw/zinc/79/25/62/875792562.db2.gz KBMKQVVCBJIWGT-UHFFFAOYSA-N 1 1 389.427 3.828 20 5 GHBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@H]2C1 ZINC000491974470 876072161 /nfs/dbraw/zinc/07/21/61/876072161.db2.gz BSKHQUJCQAGKSA-YWZLYKJASA-N 1 1 396.447 3.945 20 5 GHBDMO Cc1ccc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1Br ZINC000804530011 882993613 /nfs/dbraw/zinc/99/36/13/882993613.db2.gz RBPZIQRGPSROCT-CQSZACIVSA-N 1 1 382.302 3.834 20 5 GHBDMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000494717257 883009640 /nfs/dbraw/zinc/00/96/40/883009640.db2.gz CBSWPSLMFDWTCT-GXTWGEPZSA-N 1 1 387.436 3.557 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1Br ZINC000786672385 876884420 /nfs/dbraw/zinc/88/44/20/876884420.db2.gz WQXZTGMBPXQOEH-UHFFFAOYSA-N 1 1 396.216 3.810 20 5 GHBDMO CCOc1cc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000492530974 877014361 /nfs/dbraw/zinc/01/43/61/877014361.db2.gz FGZSFSNDXUNRGO-OAHLLOKOSA-N 1 1 381.436 3.767 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000477234748 877282204 /nfs/dbraw/zinc/28/22/04/877282204.db2.gz SCKINRDSWUJPCG-NRFANRHFSA-N 1 1 381.476 3.554 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000537677296 883116865 /nfs/dbraw/zinc/11/68/65/883116865.db2.gz FGGIBXMTJSVZPY-QFBILLFUSA-N 1 1 381.476 3.913 20 5 GHBDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000787340298 877362847 /nfs/dbraw/zinc/36/28/47/877362847.db2.gz BVXZVBASCWSJGI-QGZVFWFLSA-N 1 1 384.354 3.658 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000451144670 877451587 /nfs/dbraw/zinc/45/15/87/877451587.db2.gz JAIGZSRVFRWHIA-QJPTWQEYSA-N 1 1 389.374 3.593 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000451144670 877451597 /nfs/dbraw/zinc/45/15/97/877451597.db2.gz JAIGZSRVFRWHIA-QJPTWQEYSA-N 1 1 389.374 3.593 20 5 GHBDMO CC(=O)c1ccc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c([N+](=O)[O-])c1 ZINC000067903807 877611487 /nfs/dbraw/zinc/61/14/87/877611487.db2.gz FIUKOTKKQRPUCZ-OAHLLOKOSA-N 1 1 383.448 3.630 20 5 GHBDMO CC(=O)c1ccc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c([N+](=O)[O-])c1 ZINC000067903807 877611495 /nfs/dbraw/zinc/61/14/95/877611495.db2.gz FIUKOTKKQRPUCZ-OAHLLOKOSA-N 1 1 383.448 3.630 20 5 GHBDMO C[C@H]1CCC[C@](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000237701846 877843363 /nfs/dbraw/zinc/84/33/63/877843363.db2.gz XWCGQZUTTTUYSE-KKSFZXQISA-N 1 1 385.512 3.595 20 5 GHBDMO Cc1noc(C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000851737157 877886918 /nfs/dbraw/zinc/88/69/18/877886918.db2.gz UPODYDVAFPISTJ-AWEZNQCLSA-N 1 1 380.242 3.861 20 5 GHBDMO Cc1noc(C[N@@H+]2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000851741069 877889704 /nfs/dbraw/zinc/88/97/04/877889704.db2.gz AEQNEBWVGSQNED-LSDHHAIUSA-N 1 1 394.472 3.503 20 5 GHBDMO Cc1noc(C[N@H+]2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000851741069 877889717 /nfs/dbraw/zinc/88/97/17/877889717.db2.gz AEQNEBWVGSQNED-LSDHHAIUSA-N 1 1 394.472 3.503 20 5 GHBDMO COCCOc1ccccc1N1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000492972127 877912766 /nfs/dbraw/zinc/91/27/66/877912766.db2.gz JLUBATPRVSRIIA-SFHVURJKSA-N 1 1 399.491 3.812 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851853914 877942442 /nfs/dbraw/zinc/94/24/42/877942442.db2.gz MMNRIKMTGNQLHU-KBPBESRZSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851853914 877942450 /nfs/dbraw/zinc/94/24/50/877942450.db2.gz MMNRIKMTGNQLHU-KBPBESRZSA-N 1 1 381.448 3.859 20 5 GHBDMO COC(=O)COc1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000530547331 878033633 /nfs/dbraw/zinc/03/36/33/878033633.db2.gz ZVYVCWZJUUZQGH-UHFFFAOYSA-N 1 1 399.230 3.743 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000852160583 878111524 /nfs/dbraw/zinc/11/15/24/878111524.db2.gz IDMFLTCSYWVGSE-IBGZPJMESA-N 1 1 380.366 3.958 20 5 GHBDMO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549707 878125440 /nfs/dbraw/zinc/12/54/40/878125440.db2.gz QHZXWQQKEFSEPD-WBVHZDCISA-N 1 1 378.436 3.511 20 5 GHBDMO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549707 878125447 /nfs/dbraw/zinc/12/54/47/878125447.db2.gz QHZXWQQKEFSEPD-WBVHZDCISA-N 1 1 378.436 3.511 20 5 GHBDMO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000852216663 878149961 /nfs/dbraw/zinc/14/99/61/878149961.db2.gz JRTUIEYMCVETLN-UHFFFAOYSA-N 1 1 379.432 3.567 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000795678741 912338257 /nfs/dbraw/zinc/33/82/57/912338257.db2.gz FZVSUSIOOUMDBL-KURKYZTESA-N 1 1 379.416 3.728 20 5 GHBDMO COc1cc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)ccc1OC(F)F ZINC000530722356 878387737 /nfs/dbraw/zinc/38/77/37/878387737.db2.gz GDDFQNAPDLJLQC-UHFFFAOYSA-N 1 1 393.346 3.978 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)ccc1OC(F)F ZINC000530722356 878387745 /nfs/dbraw/zinc/38/77/45/878387745.db2.gz GDDFQNAPDLJLQC-UHFFFAOYSA-N 1 1 393.346 3.978 20 5 GHBDMO CCOc1ccc([C@H](C)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1[N+](=O)[O-] ZINC000180047255 878396460 /nfs/dbraw/zinc/39/64/60/878396460.db2.gz NDYSFENWFBXRQC-AWEZNQCLSA-N 1 1 386.452 3.707 20 5 GHBDMO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000616274984 878712300 /nfs/dbraw/zinc/71/23/00/878712300.db2.gz KPXPABIGESHOOM-GOSISDBHSA-N 1 1 397.475 3.554 20 5 GHBDMO Cc1cc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000853797175 879290851 /nfs/dbraw/zinc/29/08/51/879290851.db2.gz KCRAXPLJGKCLIV-INIZCTEOSA-N 1 1 375.856 3.735 20 5 GHBDMO CCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000265966550 879611030 /nfs/dbraw/zinc/61/10/30/879611030.db2.gz VFVGCLOERKTCOT-NXHRZFHOSA-N 1 1 386.452 3.670 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000494005569 879810645 /nfs/dbraw/zinc/81/06/45/879810645.db2.gz ANGZYNVJPGAYDV-YOEHRIQHSA-N 1 1 385.489 3.710 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccc2[nH]ccc21 ZINC000494017005 879825480 /nfs/dbraw/zinc/82/54/80/879825480.db2.gz KSPZUILOXCOGEX-UHFFFAOYSA-N 1 1 380.404 3.506 20 5 GHBDMO CC(C)C[N@H+](Cc1ccccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520172645 880012921 /nfs/dbraw/zinc/01/29/21/880012921.db2.gz SFSURTKXYAJTLN-GOSISDBHSA-N 1 1 376.428 3.632 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)ccc1Oc1ccc(F)cc1 ZINC000531564470 880117559 /nfs/dbraw/zinc/11/75/59/880117559.db2.gz JTQVXLUYCXDTCB-MRXNPFEDSA-N 1 1 382.395 3.896 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000791805940 880705213 /nfs/dbraw/zinc/70/52/13/880705213.db2.gz CQDDKFRNSHVGGO-OAHLLOKOSA-N 1 1 388.855 3.892 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000855734726 880706160 /nfs/dbraw/zinc/70/61/60/880706160.db2.gz GTWWUHFELCUTND-KRWDZBQOSA-N 1 1 387.867 3.637 20 5 GHBDMO CCc1[nH]nc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000171370162 881256491 /nfs/dbraw/zinc/25/64/91/881256491.db2.gz ZIMLFMIWHSRNCU-UHFFFAOYSA-N 1 1 385.468 3.897 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(NC[C@@H]3CCC[N@H+](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000609384562 883130544 /nfs/dbraw/zinc/13/05/44/883130544.db2.gz PPVXLUZXGDDHEU-INIZCTEOSA-N 1 1 382.464 3.909 20 5 GHBDMO C[C@H](NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000476860926 883317522 /nfs/dbraw/zinc/31/75/22/883317522.db2.gz XMQZMJIQLUEYFB-KKSFZXQISA-N 1 1 396.491 3.866 20 5 GHBDMO Cc1ccnc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000609669027 883514629 /nfs/dbraw/zinc/51/46/29/883514629.db2.gz YAZDVHXDTXQSHA-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000609786523 883680354 /nfs/dbraw/zinc/68/03/54/883680354.db2.gz NYJZGNPXFKZCCM-OAHLLOKOSA-N 1 1 387.867 3.524 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000609786523 883680359 /nfs/dbraw/zinc/68/03/59/883680359.db2.gz NYJZGNPXFKZCCM-OAHLLOKOSA-N 1 1 387.867 3.524 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000609874482 883760877 /nfs/dbraw/zinc/76/08/77/883760877.db2.gz CLRVNAQCGMWATG-KRWDZBQOSA-N 1 1 381.476 3.779 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000609874482 883760880 /nfs/dbraw/zinc/76/08/80/883760880.db2.gz CLRVNAQCGMWATG-KRWDZBQOSA-N 1 1 381.476 3.779 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859382889 883786924 /nfs/dbraw/zinc/78/69/24/883786924.db2.gz WLBSBZQKJKDVMP-CABCVRRESA-N 1 1 379.888 3.975 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000859523462 883869561 /nfs/dbraw/zinc/86/95/61/883869561.db2.gz WTYHJGQOTKJURI-CQSZACIVSA-N 1 1 389.279 3.655 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000859523462 883869581 /nfs/dbraw/zinc/86/95/81/883869581.db2.gz WTYHJGQOTKJURI-CQSZACIVSA-N 1 1 389.279 3.655 20 5 GHBDMO COc1cccc([C@H](O)C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000860145399 884369571 /nfs/dbraw/zinc/36/95/71/884369571.db2.gz GNYRMHKTNDZCPC-OAQYLSRUSA-N 1 1 386.448 3.558 20 5 GHBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n1)OC2 ZINC000556341521 884501235 /nfs/dbraw/zinc/50/12/35/884501235.db2.gz UNWZHBXQAXKJRT-XJKSGUPXSA-N 1 1 398.341 3.589 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cncs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000897935415 884519789 /nfs/dbraw/zinc/51/97/89/884519789.db2.gz XDZNJWUQXAWPTA-VIFPVBQESA-N 1 1 391.371 3.852 20 5 GHBDMO COc1cc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000170774552 884548589 /nfs/dbraw/zinc/54/85/89/884548589.db2.gz WIRIWSRNYKKUTN-UHFFFAOYSA-N 1 1 397.475 3.588 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000898071329 884583974 /nfs/dbraw/zinc/58/39/74/884583974.db2.gz JBAGYHQVSIPQAI-CQSZACIVSA-N 1 1 383.477 3.516 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000537562685 885422115 /nfs/dbraw/zinc/42/21/15/885422115.db2.gz UTCTXSONRBKCHD-QGZVFWFLSA-N 1 1 393.447 3.638 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000153226607 885427982 /nfs/dbraw/zinc/42/79/82/885427982.db2.gz HPABIRFFYQMKBP-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c2cc([N+](=O)[O-])ccc12 ZINC000774704333 912936641 /nfs/dbraw/zinc/93/66/41/912936641.db2.gz NNJHZCKWWAYQFM-OAQYLSRUSA-N 1 1 378.432 3.732 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c2cc([N+](=O)[O-])ccc12 ZINC000774704333 912936649 /nfs/dbraw/zinc/93/66/49/912936649.db2.gz NNJHZCKWWAYQFM-OAQYLSRUSA-N 1 1 378.432 3.732 20 5 GHBDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000067569784 885575135 /nfs/dbraw/zinc/57/51/35/885575135.db2.gz CZPWJCCGONHMNA-HKUYNNGSSA-N 1 1 396.491 3.867 20 5 GHBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(NC(=O)C2CC2)cc1 ZINC000171127784 885735763 /nfs/dbraw/zinc/73/57/63/885735763.db2.gz OXRFUWJDOZLACY-ZDUSSCGKSA-N 1 1 397.431 3.661 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000532493415 885854464 /nfs/dbraw/zinc/85/44/64/885854464.db2.gz NJXBDSYDZPKBFB-QGZVFWFLSA-N 1 1 399.422 3.739 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3cc([N+](=O)[O-])ccc3C(C)=O)C2)cc(OC)c1 ZINC000807994577 885915371 /nfs/dbraw/zinc/91/53/71/885915371.db2.gz VHBZQEZHSNGTPX-MRXNPFEDSA-N 1 1 399.447 3.501 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3cc([N+](=O)[O-])ccc3C(C)=O)C2)cc(OC)c1 ZINC000807994577 885915379 /nfs/dbraw/zinc/91/53/79/885915379.db2.gz VHBZQEZHSNGTPX-MRXNPFEDSA-N 1 1 399.447 3.501 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000556758133 886080897 /nfs/dbraw/zinc/08/08/97/886080897.db2.gz XOBBEVRUIBIUKV-DYESRHJHSA-N 1 1 397.475 3.806 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000862435216 886377643 /nfs/dbraw/zinc/37/76/43/886377643.db2.gz RQMKVEIRPAVQLA-NSHDSACASA-N 1 1 383.157 3.991 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556859130 886392866 /nfs/dbraw/zinc/39/28/66/886392866.db2.gz XSRNQJNHCIQASO-UWJYYQICSA-N 1 1 391.475 3.534 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556859847 886393148 /nfs/dbraw/zinc/39/31/48/886393148.db2.gz YYRKMMPTLLPAMT-FXAWDEMLSA-N 1 1 385.512 3.662 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000747528540 886798908 /nfs/dbraw/zinc/79/89/08/886798908.db2.gz AGMJMHVEOJRGBB-UHFFFAOYSA-N 1 1 393.484 3.825 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001131496199 886895077 /nfs/dbraw/zinc/89/50/77/886895077.db2.gz OIRHFRDPCAFNNS-SFHVURJKSA-N 1 1 381.476 3.897 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001131496199 886895094 /nfs/dbraw/zinc/89/50/94/886895094.db2.gz OIRHFRDPCAFNNS-SFHVURJKSA-N 1 1 381.476 3.897 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1F ZINC000808927967 886946451 /nfs/dbraw/zinc/94/64/51/886946451.db2.gz CSMLRMNMHYXPSA-QFIPXVFZSA-N 1 1 397.450 3.781 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000863273135 886989175 /nfs/dbraw/zinc/98/91/75/886989175.db2.gz LQVJLAFOQDRXRS-CQSZACIVSA-N 1 1 387.390 3.763 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000863273135 886989185 /nfs/dbraw/zinc/98/91/85/886989185.db2.gz LQVJLAFOQDRXRS-CQSZACIVSA-N 1 1 387.390 3.763 20 5 GHBDMO Cc1nn(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000863301565 887014858 /nfs/dbraw/zinc/01/48/58/887014858.db2.gz FPHCVQVPOTXOFR-CJNGLKHVSA-N 1 1 388.468 3.510 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000863301565 887014865 /nfs/dbraw/zinc/01/48/65/887014865.db2.gz FPHCVQVPOTXOFR-CJNGLKHVSA-N 1 1 388.468 3.510 20 5 GHBDMO Cc1cc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c(Br)cc1[N+](=O)[O-] ZINC000443966705 887333924 /nfs/dbraw/zinc/33/39/24/887333924.db2.gz XOTLRDGARZGDRF-GFCCVEGCSA-N 1 1 379.258 3.783 20 5 GHBDMO COc1cccc(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c1 ZINC000272488989 887577129 /nfs/dbraw/zinc/57/71/29/887577129.db2.gz UHGPTNZXFBZXAB-UHFFFAOYSA-N 1 1 382.363 3.546 20 5 GHBDMO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272493686 887583306 /nfs/dbraw/zinc/58/33/06/887583306.db2.gz FGVJYVVPGFDBDP-VOBQZIQPSA-N 1 1 398.438 3.659 20 5 GHBDMO Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000809701942 887706181 /nfs/dbraw/zinc/70/61/81/887706181.db2.gz ANOUAZDGKRJFEY-QFIPXVFZSA-N 1 1 398.459 3.620 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272565427 887777605 /nfs/dbraw/zinc/77/76/05/887777605.db2.gz UWLNBNOUNBZMNN-XLIONFOSSA-N 1 1 385.512 3.519 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758304 887801629 /nfs/dbraw/zinc/80/16/29/887801629.db2.gz IVEIDLRFKOWBHR-KGLIPLIRSA-N 1 1 383.286 3.996 20 5 GHBDMO CCC(CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[NH+]1CCOCC1 ZINC000809914861 887937564 /nfs/dbraw/zinc/93/75/64/887937564.db2.gz OVDPOFAHDJNPLV-INIZCTEOSA-N 1 1 398.891 3.507 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000796058066 913212441 /nfs/dbraw/zinc/21/24/41/913212441.db2.gz RUGNBLOJBMLHSX-OAHLLOKOSA-N 1 1 387.427 3.902 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234044 888136369 /nfs/dbraw/zinc/13/63/69/888136369.db2.gz MKCCSKOKMOPKGM-FQEVSTJZSA-N 1 1 383.448 3.695 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194430553 888327415 /nfs/dbraw/zinc/32/74/15/888327415.db2.gz WLNJEOQQTQGLPI-INIZCTEOSA-N 1 1 384.480 3.995 20 5 GHBDMO COc1ccccc1[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+](C)C ZINC000032694491 888704668 /nfs/dbraw/zinc/70/46/68/888704668.db2.gz YHWOWPMDJDIEHB-INIZCTEOSA-N 1 1 399.472 3.851 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000488074797 888724245 /nfs/dbraw/zinc/72/42/45/888724245.db2.gz ZRCUIEJOBCKFPX-CALCHBBNSA-N 1 1 398.507 3.859 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027334447 888999093 /nfs/dbraw/zinc/99/90/93/888999093.db2.gz NUWZERFOBAVHQJ-WMLDXEAASA-N 1 1 389.477 3.622 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H]1C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532930535 889307466 /nfs/dbraw/zinc/30/74/66/889307466.db2.gz XPGZMZGGSPPQTQ-MRXNPFEDSA-N 1 1 396.285 3.950 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H]1C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532930535 889307478 /nfs/dbraw/zinc/30/74/78/889307478.db2.gz XPGZMZGGSPPQTQ-MRXNPFEDSA-N 1 1 396.285 3.950 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000532969107 889409292 /nfs/dbraw/zinc/40/92/92/889409292.db2.gz HEVCXYXAZIUYHK-QAPCUYQASA-N 1 1 383.448 3.668 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000532969107 889409302 /nfs/dbraw/zinc/40/93/02/889409302.db2.gz HEVCXYXAZIUYHK-QAPCUYQASA-N 1 1 383.448 3.668 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532969218 889409476 /nfs/dbraw/zinc/40/94/76/889409476.db2.gz MNFFGTPXWBQBGG-MRXNPFEDSA-N 1 1 389.496 3.983 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811448968 889606323 /nfs/dbraw/zinc/60/63/23/889606323.db2.gz GLJFGEPSUXKWCG-LJQANCHMSA-N 1 1 382.432 3.638 20 5 GHBDMO Cc1c(NC(=O)CCN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000533052645 889630721 /nfs/dbraw/zinc/63/07/21/889630721.db2.gz LJUDKVDLUSCLEY-SOLBZPMBSA-N 1 1 388.512 3.569 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000811478680 889666287 /nfs/dbraw/zinc/66/62/87/889666287.db2.gz MQNWCDQXUGWSHJ-UHFFFAOYSA-N 1 1 388.295 3.636 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)c2)cc1 ZINC000811784394 889945314 /nfs/dbraw/zinc/94/53/14/889945314.db2.gz VKHXYRBNSZIYNE-OAQYLSRUSA-N 1 1 389.459 3.553 20 5 GHBDMO O=C(C[N@@H+]1CCCCC[C@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533251004 890092310 /nfs/dbraw/zinc/09/23/10/890092310.db2.gz PKSHUMNYLAMBCN-KRWDZBQOSA-N 1 1 397.431 3.879 20 5 GHBDMO O=C(C[N@H+]1CCCCC[C@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533251004 890092323 /nfs/dbraw/zinc/09/23/23/890092323.db2.gz PKSHUMNYLAMBCN-KRWDZBQOSA-N 1 1 397.431 3.879 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000533297906 890237588 /nfs/dbraw/zinc/23/75/88/890237588.db2.gz MFQCMPYWICVYIB-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(F)ccc3Br)C2)nc1 ZINC000533378623 890384655 /nfs/dbraw/zinc/38/46/55/890384655.db2.gz LWZPQQWPOFQKJM-ZDUSSCGKSA-N 1 1 395.232 3.578 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(F)ccc3Br)C2)nc1 ZINC000533378623 890384670 /nfs/dbraw/zinc/38/46/70/890384670.db2.gz LWZPQQWPOFQKJM-ZDUSSCGKSA-N 1 1 395.232 3.578 20 5 GHBDMO C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378585 890385094 /nfs/dbraw/zinc/38/50/94/890385094.db2.gz MRIWXHRODRQSQU-IUODEOHRSA-N 1 1 391.269 4.000 20 5 GHBDMO C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378585 890385111 /nfs/dbraw/zinc/38/51/11/890385111.db2.gz MRIWXHRODRQSQU-IUODEOHRSA-N 1 1 391.269 4.000 20 5 GHBDMO C[N@@H+](CCc1cccc(Br)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000812906738 891091012 /nfs/dbraw/zinc/09/10/12/891091012.db2.gz CRDKPXAZICQYJT-QGZVFWFLSA-N 1 1 379.254 3.565 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000872036373 891129249 /nfs/dbraw/zinc/12/92/49/891129249.db2.gz UQEGNJACQDZGAV-YOEHRIQHSA-N 1 1 379.526 3.611 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000872281227 891227127 /nfs/dbraw/zinc/22/71/27/891227127.db2.gz YYTDZOBYFCIYOP-KRWDZBQOSA-N 1 1 375.469 3.655 20 5 GHBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001184928519 913542303 /nfs/dbraw/zinc/54/23/03/913542303.db2.gz ZELGIPUHXYLZCJ-LBPRGKRZSA-N 1 1 375.300 3.587 20 5 GHBDMO O=C(Cc1ccc(Cl)c(F)c1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170394 891330403 /nfs/dbraw/zinc/33/04/03/891330403.db2.gz DMRWDSBFUXPCKH-INIZCTEOSA-N 1 1 392.814 3.748 20 5 GHBDMO O=C(Cc1ccc(Cl)c(F)c1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170394 891330415 /nfs/dbraw/zinc/33/04/15/891330415.db2.gz DMRWDSBFUXPCKH-INIZCTEOSA-N 1 1 392.814 3.748 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCCc2sccc21 ZINC000813172171 891334821 /nfs/dbraw/zinc/33/48/21/891334821.db2.gz GUVZPCJZTTZXOX-FUHWJXTLSA-N 1 1 386.473 3.894 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCCc2sccc21 ZINC000813172171 891334839 /nfs/dbraw/zinc/33/48/39/891334839.db2.gz GUVZPCJZTTZXOX-FUHWJXTLSA-N 1 1 386.473 3.894 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000813173920 891335246 /nfs/dbraw/zinc/33/52/46/891335246.db2.gz MJYNDQPTXXPSLL-DZKIICNBSA-N 1 1 386.370 3.691 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000813173920 891335251 /nfs/dbraw/zinc/33/52/51/891335251.db2.gz MJYNDQPTXXPSLL-DZKIICNBSA-N 1 1 386.370 3.691 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001126754412 891510325 /nfs/dbraw/zinc/51/03/25/891510325.db2.gz SLQIMCZDJATOTB-LPHOPBHVSA-N 1 1 381.476 3.995 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813492026 891648383 /nfs/dbraw/zinc/64/83/83/891648383.db2.gz HOTXQUZAZOLDEG-GFCCVEGCSA-N 1 1 388.295 3.999 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000026345584 891940485 /nfs/dbraw/zinc/94/04/85/891940485.db2.gz FETGPQMDBCWINP-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)c1 ZINC000154442399 892186248 /nfs/dbraw/zinc/18/62/48/892186248.db2.gz CAYHKMPFIHHSQW-SFTDATJTSA-N 1 1 398.484 3.926 20 5 GHBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc([S@@](C)=O)cc1 ZINC000533742909 892719568 /nfs/dbraw/zinc/71/95/68/892719568.db2.gz NXYMFNOHINYRDH-KPHLJTLVSA-N 1 1 384.404 3.784 20 5 GHBDMO CCN(C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)CC(F)(F)F ZINC000509689833 892765432 /nfs/dbraw/zinc/76/54/32/892765432.db2.gz YRULKUPPHKJKIJ-LLVKDONJSA-N 1 1 381.345 3.579 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)CC(F)(F)F ZINC000509689833 892765451 /nfs/dbraw/zinc/76/54/51/892765451.db2.gz YRULKUPPHKJKIJ-LLVKDONJSA-N 1 1 381.345 3.579 20 5 GHBDMO CCN(C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)CC(F)(F)F ZINC000509689834 892765557 /nfs/dbraw/zinc/76/55/57/892765557.db2.gz YRULKUPPHKJKIJ-NSHDSACASA-N 1 1 381.345 3.579 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)CC(F)(F)F ZINC000509689834 892765563 /nfs/dbraw/zinc/76/55/63/892765563.db2.gz YRULKUPPHKJKIJ-NSHDSACASA-N 1 1 381.345 3.579 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)s1 ZINC000192506672 892850353 /nfs/dbraw/zinc/85/03/53/892850353.db2.gz SCJARIDVQQPQBR-UHFFFAOYSA-N 1 1 378.457 3.943 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000876978975 893419759 /nfs/dbraw/zinc/41/97/59/893419759.db2.gz XPXMWPGYYUKSDF-UHFFFAOYSA-N 1 1 395.381 3.740 20 5 GHBDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877053941 893459827 /nfs/dbraw/zinc/45/98/27/893459827.db2.gz BJXXZBKACGVJRU-UHFFFAOYSA-N 1 1 395.463 3.510 20 5 GHBDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000815106099 893480811 /nfs/dbraw/zinc/48/08/11/893480811.db2.gz UQKJRLZFFXVKRN-KRWDZBQOSA-N 1 1 389.431 3.506 20 5 GHBDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000815106099 893480824 /nfs/dbraw/zinc/48/08/24/893480824.db2.gz UQKJRLZFFXVKRN-KRWDZBQOSA-N 1 1 389.431 3.506 20 5 GHBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000536667384 893485284 /nfs/dbraw/zinc/48/52/84/893485284.db2.gz BEVVDVDPZNDQDL-GOSISDBHSA-N 1 1 378.812 3.893 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001185305991 913794305 /nfs/dbraw/zinc/79/43/05/913794305.db2.gz LXPBOQQHDJRSDK-OAHLLOKOSA-N 1 1 399.447 3.827 20 5 GHBDMO CCc1cc(NCC[N@@H+]2CCCC[C@H]2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001185322874 913814152 /nfs/dbraw/zinc/81/41/52/913814152.db2.gz FPRHKLKULMVVMZ-GOSISDBHSA-N 1 1 383.496 3.713 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@@H]2C2CCOCC2)o1 ZINC000878381137 894245154 /nfs/dbraw/zinc/24/51/54/894245154.db2.gz QQZWIOGCACIUSY-OAHLLOKOSA-N 1 1 392.843 3.689 20 5 GHBDMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000537078392 894302892 /nfs/dbraw/zinc/30/28/92/894302892.db2.gz DKSDNGUZJRIAHP-INIZCTEOSA-N 1 1 393.365 3.767 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)o1 ZINC000878625328 894452180 /nfs/dbraw/zinc/45/21/80/894452180.db2.gz RGFVIHKPRBCMBF-OAQYLSRUSA-N 1 1 392.415 3.615 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)o1 ZINC000878625328 894452188 /nfs/dbraw/zinc/45/21/88/894452188.db2.gz RGFVIHKPRBCMBF-OAQYLSRUSA-N 1 1 392.415 3.615 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1)C1CC1 ZINC000537148397 894467594 /nfs/dbraw/zinc/46/75/94/894467594.db2.gz XUXCHJWPJCVAHT-UHFFFAOYSA-N 1 1 383.448 3.639 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@@H](c3cccnc3)C2)o1 ZINC000878759594 894584859 /nfs/dbraw/zinc/58/48/59/894584859.db2.gz DJAFQWWGCXKUQG-CYBMUJFWSA-N 1 1 385.811 3.683 20 5 GHBDMO COc1ccc(CC(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000816455192 894816637 /nfs/dbraw/zinc/81/66/37/894816637.db2.gz OLGTXRCDTSOJCW-JXFKEZNVSA-N 1 1 398.459 3.600 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000564313317 894853366 /nfs/dbraw/zinc/85/33/66/894853366.db2.gz UJXRPGCHLLIRFV-WKOQKXSESA-N 1 1 380.492 3.990 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000880099466 895512953 /nfs/dbraw/zinc/51/29/53/895512953.db2.gz DKYGHCKQTFQTNC-SNVBAGLBSA-N 1 1 383.326 3.646 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CC[C@@H](c3nccs3)C2)o1 ZINC000880322818 895639418 /nfs/dbraw/zinc/63/94/18/895639418.db2.gz KSZGUXYPTWUERL-SNVBAGLBSA-N 1 1 391.840 3.744 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@@H](c3nccs3)C2)o1 ZINC000880322818 895639425 /nfs/dbraw/zinc/63/94/25/895639425.db2.gz KSZGUXYPTWUERL-SNVBAGLBSA-N 1 1 391.840 3.744 20 5 GHBDMO Cn1cc(C[NH2+]C2(c3cc(Cl)cc(Br)c3)CC2)c([N+](=O)[O-])n1 ZINC000880351223 895652308 /nfs/dbraw/zinc/65/23/08/895652308.db2.gz BMXCGXHZNOKIAS-UHFFFAOYSA-N 1 1 385.649 3.523 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)o1 ZINC000880552682 895747567 /nfs/dbraw/zinc/74/75/67/895747567.db2.gz ABOTUDXEABKXAH-MRXNPFEDSA-N 1 1 391.431 3.629 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)o1 ZINC000880552682 895747582 /nfs/dbraw/zinc/74/75/82/895747582.db2.gz ABOTUDXEABKXAH-MRXNPFEDSA-N 1 1 391.431 3.629 20 5 GHBDMO Cc1nc(C[NH+]2CCC(CNc3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)oc1C ZINC000566970352 896756679 /nfs/dbraw/zinc/75/66/79/896756679.db2.gz NLCQGRYFNPRUSF-UHFFFAOYSA-N 1 1 399.495 3.798 20 5 GHBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000130274589 897044739 /nfs/dbraw/zinc/04/47/39/897044739.db2.gz XJSWZVSEGHFACR-UHFFFAOYSA-N 1 1 399.495 3.546 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000568929170 898219629 /nfs/dbraw/zinc/21/96/29/898219629.db2.gz SSICFGPYDMVVHO-OAQYLSRUSA-N 1 1 388.439 3.560 20 5 GHBDMO C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778715551 898901456 /nfs/dbraw/zinc/90/14/56/898901456.db2.gz WUDIGGQKSWPOLW-ULHUWXCASA-N 1 1 379.460 3.635 20 5 GHBDMO Cc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001186088842 914297455 /nfs/dbraw/zinc/29/74/55/914297455.db2.gz KRHOFCAMHRPICZ-CYBMUJFWSA-N 1 1 375.391 3.835 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000823967215 899334333 /nfs/dbraw/zinc/33/43/33/899334333.db2.gz AEIBFJZIAUWOAN-UHFFFAOYSA-N 1 1 389.500 3.543 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823974375 899336406 /nfs/dbraw/zinc/33/64/06/899336406.db2.gz QWILVRGMWHESSP-HNNXBMFYSA-N 1 1 389.500 3.685 20 5 GHBDMO COCC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)Cc1cccnc1 ZINC000570486653 899339126 /nfs/dbraw/zinc/33/91/26/899339126.db2.gz ZONZSQDOJHDWLF-UHFFFAOYSA-N 1 1 397.431 3.907 20 5 GHBDMO COCC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)Cc1cccnc1 ZINC000570486653 899339139 /nfs/dbraw/zinc/33/91/39/899339139.db2.gz ZONZSQDOJHDWLF-UHFFFAOYSA-N 1 1 397.431 3.907 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])sc2C1 ZINC000824075810 899381890 /nfs/dbraw/zinc/38/18/90/899381890.db2.gz FLUIVDOTANRHRJ-UHFFFAOYSA-N 1 1 396.419 3.738 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)o2)c1 ZINC000289843597 914376138 /nfs/dbraw/zinc/37/61/38/914376138.db2.gz KGSZIUILOYJAOL-MRXNPFEDSA-N 1 1 387.827 3.589 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)co2)cc1 ZINC000120588648 899848825 /nfs/dbraw/zinc/84/88/25/899848825.db2.gz KIRJWVKNEZFTON-OXQOHEQNSA-N 1 1 382.464 3.699 20 5 GHBDMO Cc1[nH+]ccn1CCCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000778789970 899863486 /nfs/dbraw/zinc/86/34/86/899863486.db2.gz ZPKMGSUNFFDZNK-GFCCVEGCSA-N 1 1 381.816 3.544 20 5 GHBDMO COc1cc(C[N@H+](C)CCc2ccccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000120816157 899886228 /nfs/dbraw/zinc/88/62/28/899886228.db2.gz QYCUZBZDUIBERD-UHFFFAOYSA-N 1 1 399.369 3.614 20 5 GHBDMO COc1cc(C[N@@H+](C)CCc2ccccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000120816157 899886234 /nfs/dbraw/zinc/88/62/34/899886234.db2.gz QYCUZBZDUIBERD-UHFFFAOYSA-N 1 1 399.369 3.614 20 5 GHBDMO C[NH+]1CCC([C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)CC1 ZINC000572167424 900085165 /nfs/dbraw/zinc/08/51/65/900085165.db2.gz FITOOAYZBKFCHX-QGZVFWFLSA-N 1 1 386.521 3.882 20 5 GHBDMO CC(=O)c1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000574227481 900823949 /nfs/dbraw/zinc/82/39/49/900823949.db2.gz UOENMWFSJOTBBT-QFIPXVFZSA-N 1 1 379.460 3.900 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772904562 900838688 /nfs/dbraw/zinc/83/86/88/900838688.db2.gz MSTNAPUMXZOHBI-SWLSCSKDSA-N 1 1 380.286 3.810 20 5 GHBDMO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000844715855 901195721 /nfs/dbraw/zinc/19/57/21/901195721.db2.gz BGKGQBCXWLMHOX-HXUWFJFHSA-N 1 1 381.411 3.614 20 5 GHBDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000844715855 901195726 /nfs/dbraw/zinc/19/57/26/901195726.db2.gz BGKGQBCXWLMHOX-HXUWFJFHSA-N 1 1 381.411 3.614 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c2ccccc2)c1 ZINC000826499402 901300871 /nfs/dbraw/zinc/30/08/71/901300871.db2.gz HOMKKSGEDIQZTD-HXUWFJFHSA-N 1 1 386.415 3.654 20 5 GHBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC001171179788 902101219 /nfs/dbraw/zinc/10/12/19/902101219.db2.gz OPWFURQSPLEYKL-QGZVFWFLSA-N 1 1 379.254 3.831 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263779680 902517678 /nfs/dbraw/zinc/51/76/78/902517678.db2.gz YJUVQOYOHHYHQB-LIRRHRJNSA-N 1 1 394.431 3.952 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263779680 902517684 /nfs/dbraw/zinc/51/76/84/902517684.db2.gz YJUVQOYOHHYHQB-LIRRHRJNSA-N 1 1 394.431 3.952 20 5 GHBDMO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000577481337 902811472 /nfs/dbraw/zinc/81/14/72/902811472.db2.gz IVKMTKZAQJCLRO-FQEVSTJZSA-N 1 1 384.480 3.532 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1n1ccnc1 ZINC000129729419 902846421 /nfs/dbraw/zinc/84/64/21/902846421.db2.gz ZUSLBXBXPLXRGL-QAPCUYQASA-N 1 1 381.436 3.572 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264272874 902983805 /nfs/dbraw/zinc/98/38/05/902983805.db2.gz GSRYMNWSTOTKAF-INIZCTEOSA-N 1 1 387.867 3.543 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000132373816 903246813 /nfs/dbraw/zinc/24/68/13/903246813.db2.gz ZQKMEFXBNDYKKV-XLIONFOSSA-N 1 1 381.476 3.649 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000136127030 903761576 /nfs/dbraw/zinc/76/15/76/903761576.db2.gz UUYJFGUPYCZSNX-HNNXBMFYSA-N 1 1 385.468 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)co2)cc1 ZINC000152306600 904256119 /nfs/dbraw/zinc/25/61/19/904256119.db2.gz PDPLOXAQNHPTDQ-HNNXBMFYSA-N 1 1 394.435 3.625 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)co2)cc1 ZINC000152306600 904256132 /nfs/dbraw/zinc/25/61/32/904256132.db2.gz PDPLOXAQNHPTDQ-HNNXBMFYSA-N 1 1 394.435 3.625 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000579057513 904319803 /nfs/dbraw/zinc/31/98/03/904319803.db2.gz XLLHAUHMTTVOAU-RDJZCZTQSA-N 1 1 385.439 3.934 20 5 GHBDMO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000159957481 904400117 /nfs/dbraw/zinc/40/01/17/904400117.db2.gz QYGVTSPRYDKXPG-OXJNMPFZSA-N 1 1 385.464 3.594 20 5 GHBDMO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000159957481 904400126 /nfs/dbraw/zinc/40/01/26/904400126.db2.gz QYGVTSPRYDKXPG-OXJNMPFZSA-N 1 1 385.464 3.594 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000036806760 904524766 /nfs/dbraw/zinc/52/47/66/904524766.db2.gz WGVWJNHUXWSRDZ-UHFFFAOYSA-N 1 1 390.465 3.688 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001171521383 904797813 /nfs/dbraw/zinc/79/78/13/904797813.db2.gz GTHXTAVRCUQYEM-GXTWGEPZSA-N 1 1 382.432 3.542 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001171521383 904797820 /nfs/dbraw/zinc/79/78/20/904797820.db2.gz GTHXTAVRCUQYEM-GXTWGEPZSA-N 1 1 382.432 3.542 20 5 GHBDMO C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172917769 905988041 /nfs/dbraw/zinc/98/80/41/905988041.db2.gz WSGKPUNEOANXKA-PKOBYXMFSA-N 1 1 389.496 3.783 20 5 GHBDMO CCCCCN1CC[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173017642 906095183 /nfs/dbraw/zinc/09/51/83/906095183.db2.gz HMHFKGDCPCYEIZ-UHFFFAOYSA-N 1 1 396.482 3.650 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c1F ZINC001173192081 906275244 /nfs/dbraw/zinc/27/52/44/906275244.db2.gz HZYLEBOUPCUDLV-UONOGXRCSA-N 1 1 396.459 3.870 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001173220767 906298474 /nfs/dbraw/zinc/29/84/74/906298474.db2.gz CFSGBYMTAXMOBA-MGPUTAFESA-N 1 1 375.469 3.611 20 5 GHBDMO CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173222241 906302228 /nfs/dbraw/zinc/30/22/28/906302228.db2.gz QUBMOQJTSYOJDS-MRXNPFEDSA-N 1 1 382.460 3.690 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001173223431 906303249 /nfs/dbraw/zinc/30/32/49/906303249.db2.gz ZSHNIBLQCYALNX-KBAYOESNSA-N 1 1 389.496 3.715 20 5 GHBDMO CCC[NH+](CCC)CCCN1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173231185 906316514 /nfs/dbraw/zinc/31/65/14/906316514.db2.gz KHRFXDHFVCRWTE-HXUWFJFHSA-N 1 1 390.572 3.656 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001173234465 906322005 /nfs/dbraw/zinc/32/20/05/906322005.db2.gz RQXWPGZHLMDAJI-VYDXJSESSA-N 1 1 377.485 3.903 20 5 GHBDMO Cc1ccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1[N+](=O)[O-] ZINC000299322031 921291587 /nfs/dbraw/zinc/29/15/87/921291587.db2.gz GZUZLHQJOWHZBQ-UHFFFAOYSA-N 1 1 379.460 3.566 20 5 GHBDMO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001176122194 907949340 /nfs/dbraw/zinc/94/93/40/907949340.db2.gz SELNHTWJHLBZIJ-GDBMZVCRSA-N 1 1 393.484 3.586 20 5 GHBDMO C[NH+]1CCN(c2ncc(Nc3c(N)c4ccccc4c4ccccc43)cn2)CC1 ZINC001176635513 908191414 /nfs/dbraw/zinc/19/14/14/908191414.db2.gz WAGDCTNXZOMWPM-UHFFFAOYSA-N 1 1 384.487 3.861 20 5 GHBDMO CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176959702 908329520 /nfs/dbraw/zinc/32/95/20/908329520.db2.gz OFYCSPOCZNZAIF-GUYCJALGSA-N 1 1 375.494 3.732 20 5 GHBDMO CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176959702 908329531 /nfs/dbraw/zinc/32/95/31/908329531.db2.gz OFYCSPOCZNZAIF-GUYCJALGSA-N 1 1 375.494 3.732 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176970856 908338992 /nfs/dbraw/zinc/33/89/92/908338992.db2.gz DWISSEACYGTDJC-UHFFFAOYSA-N 1 1 377.485 3.716 20 5 GHBDMO COc1ccc(OCC[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c([N+](=O)[O-])c1 ZINC000773669061 908591099 /nfs/dbraw/zinc/59/10/99/908591099.db2.gz MGFPLBREOLSMFL-UHFFFAOYSA-N 1 1 389.839 3.820 20 5 GHBDMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000194930917 908940762 /nfs/dbraw/zinc/94/07/62/908940762.db2.gz LVZCGFVJKYEVPO-HNNXBMFYSA-N 1 1 397.435 3.683 20 5 GHBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000194700288 908961683 /nfs/dbraw/zinc/96/16/83/908961683.db2.gz AYRBPCXBLVKFBK-GOSISDBHSA-N 1 1 397.475 3.588 20 5 GHBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000194700271 908962052 /nfs/dbraw/zinc/96/20/52/908962052.db2.gz AYRBPCXBLVKFBK-SFHVURJKSA-N 1 1 397.475 3.588 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000245587724 909755043 /nfs/dbraw/zinc/75/50/43/909755043.db2.gz NDDYIUAZYGAVJK-WMZOPIPTSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000245587724 909755058 /nfs/dbraw/zinc/75/50/58/909755058.db2.gz NDDYIUAZYGAVJK-WMZOPIPTSA-N 1 1 391.830 3.871 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001179854376 909771079 /nfs/dbraw/zinc/77/10/79/909771079.db2.gz GCKZHMPQQCXHEY-LLVKDONJSA-N 1 1 376.320 3.583 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000795551166 911071597 /nfs/dbraw/zinc/07/15/97/911071597.db2.gz GTHVNAVFFULZRZ-CQSZACIVSA-N 1 1 397.258 3.700 20 5 GHBDMO COc1ccccc1OCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091899699 911327074 /nfs/dbraw/zinc/32/70/74/911327074.db2.gz CTDYQFDHCCBLGS-UHFFFAOYSA-N 1 1 396.447 3.515 20 5 GHBDMO CC(C)(C)SCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000801941776 921655394 /nfs/dbraw/zinc/65/53/94/921655394.db2.gz WNEQMTDXMGVEDC-UHFFFAOYSA-N 1 1 377.514 3.515 20 5 GHBDMO COc1ccc(C[N@H+](C)Cc2cnccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092591787 911635629 /nfs/dbraw/zinc/63/56/29/911635629.db2.gz UPMNMKPYDNJUFF-UHFFFAOYSA-N 1 1 394.431 3.604 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2cnccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092591787 911635638 /nfs/dbraw/zinc/63/56/38/911635638.db2.gz UPMNMKPYDNJUFF-UHFFFAOYSA-N 1 1 394.431 3.604 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000795644620 911667442 /nfs/dbraw/zinc/66/74/42/911667442.db2.gz NGXMHYNOODEVJV-UHFFFAOYSA-N 1 1 389.799 3.638 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000802009711 921746455 /nfs/dbraw/zinc/74/64/55/921746455.db2.gz SASJMNNDVBKBND-HXUWFJFHSA-N 1 1 375.469 3.818 20 5 GHBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000303862558 915207214 /nfs/dbraw/zinc/20/72/14/915207214.db2.gz GVDXPAVKIGWLCK-KRWDZBQOSA-N 1 1 385.464 3.885 20 5 GHBDMO C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+](C2CCC2)C1 ZINC000292426036 915672451 /nfs/dbraw/zinc/67/24/51/915672451.db2.gz VSLFNRFUMLCASN-INIZCTEOSA-N 1 1 384.480 3.599 20 5 GHBDMO C[C@@H]1CN(C2CCC2)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000292426036 915672458 /nfs/dbraw/zinc/67/24/58/915672458.db2.gz VSLFNRFUMLCASN-INIZCTEOSA-N 1 1 384.480 3.599 20 5 GHBDMO C[C@@H]1CN(C2CCC2)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000292426036 915672468 /nfs/dbraw/zinc/67/24/68/915672468.db2.gz VSLFNRFUMLCASN-INIZCTEOSA-N 1 1 384.480 3.599 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000293388020 916169089 /nfs/dbraw/zinc/16/90/89/916169089.db2.gz NKWNRCFTKRYIFZ-SJCJKPOMSA-N 1 1 397.397 3.703 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H](c2ccccc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001190781095 917562818 /nfs/dbraw/zinc/56/28/18/917562818.db2.gz PPEUNHZQLDQHGX-SFHVURJKSA-N 1 1 379.460 3.754 20 5 GHBDMO COC[C@H](C)[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000006840110 917717797 /nfs/dbraw/zinc/71/77/97/917717797.db2.gz RCHJVKGCSFNCLZ-YVEFUNNKSA-N 1 1 377.828 3.553 20 5 GHBDMO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866055 919597247 /nfs/dbraw/zinc/59/72/47/919597247.db2.gz BFDRQJVLHZNEFI-MRXNPFEDSA-N 1 1 379.420 3.640 20 5 GHBDMO Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866055 919597256 /nfs/dbraw/zinc/59/72/56/919597256.db2.gz BFDRQJVLHZNEFI-MRXNPFEDSA-N 1 1 379.420 3.640 20 5 GHBDMO O=C(C[N@H+](Cc1cccc(O)c1)CC1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748538949 923709030 /nfs/dbraw/zinc/70/90/30/923709030.db2.gz CVYGXMOBYICJGV-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO O=C(C[N@@H+](Cc1cccc(O)c1)CC1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748538949 923709039 /nfs/dbraw/zinc/70/90/39/923709039.db2.gz CVYGXMOBYICJGV-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000749128758 924036487 /nfs/dbraw/zinc/03/64/87/924036487.db2.gz HOCNJGXBRSTANN-UHFFFAOYSA-N 1 1 388.855 3.561 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000409453499 924634240 /nfs/dbraw/zinc/63/42/40/924634240.db2.gz PFOJXFSBBYTVEI-WMLDXEAASA-N 1 1 379.416 3.906 20 5 GHBDMO CCOC(=O)c1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000409663790 924865429 /nfs/dbraw/zinc/86/54/29/924865429.db2.gz GUKXTZXIDHTZJN-HNNXBMFYSA-N 1 1 398.463 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374010400 926652447 /nfs/dbraw/zinc/65/24/47/926652447.db2.gz OXWCEMCZYWTDLK-UHFFFAOYSA-N 1 1 383.221 3.530 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000374224864 926913203 /nfs/dbraw/zinc/91/32/03/926913203.db2.gz YKXHPJWKFBZDOK-KDOFPFPSSA-N 1 1 380.404 3.859 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000374224864 926913224 /nfs/dbraw/zinc/91/32/24/926913224.db2.gz YKXHPJWKFBZDOK-KDOFPFPSSA-N 1 1 380.404 3.859 20 5 GHBDMO C[NH+]1CCN(c2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000749261819 927020801 /nfs/dbraw/zinc/02/08/01/927020801.db2.gz JHFHXQMKTQJAQX-UHFFFAOYSA-N 1 1 389.843 3.644 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749906708 927341794 /nfs/dbraw/zinc/34/17/94/927341794.db2.gz RXXLDRVZPYLVON-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)c2ncc([N+](=O)[O-])cc12 ZINC000749945451 927363016 /nfs/dbraw/zinc/36/30/16/927363016.db2.gz OIVIXYHVKZAIEH-HNNXBMFYSA-N 1 1 385.855 3.966 20 5 GHBDMO Cc1nn(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c2ncc([N+](=O)[O-])cc12 ZINC000749952106 927368499 /nfs/dbraw/zinc/36/84/99/927368499.db2.gz SYQBNBFBSHMSAE-QGZVFWFLSA-N 1 1 383.427 3.842 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000750617254 927755146 /nfs/dbraw/zinc/75/51/46/927755146.db2.gz UFDPIUBQTMAOJP-IRLDBZIGSA-N 1 1 397.475 3.820 20 5 GHBDMO C/C(=C\C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751983010 928527929 /nfs/dbraw/zinc/52/79/29/928527929.db2.gz DIGHTMGOLBXTOY-PHKMIBKXSA-N 1 1 393.487 3.679 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 ZINC000752352776 928788305 /nfs/dbraw/zinc/78/83/05/928788305.db2.gz JEZWKCISLPSYLF-HXUWFJFHSA-N 1 1 382.416 3.802 20 5 GHBDMO COCC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467272282 928900371 /nfs/dbraw/zinc/90/03/71/928900371.db2.gz AKXDVBRKNQBFMA-KGLIPLIRSA-N 1 1 383.876 3.714 20 5 GHBDMO COCC[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467272282 928900381 /nfs/dbraw/zinc/90/03/81/928900381.db2.gz AKXDVBRKNQBFMA-KGLIPLIRSA-N 1 1 383.876 3.714 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000544192651 928915652 /nfs/dbraw/zinc/91/56/52/928915652.db2.gz UWNPNBAYFBFURX-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000544620319 929351405 /nfs/dbraw/zinc/35/14/05/929351405.db2.gz IQRLTSACUBKKPT-UHFFFAOYSA-N 1 1 386.427 3.692 20 5 GHBDMO C[C@@H]([NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467837609 929488483 /nfs/dbraw/zinc/48/84/83/929488483.db2.gz DMJCALWIZDFXML-GCJKJVERSA-N 1 1 382.508 3.624 20 5 GHBDMO Cc1cc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000753715941 929495761 /nfs/dbraw/zinc/49/57/61/929495761.db2.gz HCWHXYVFOKZASG-AEFFLSMTSA-N 1 1 396.491 3.516 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000758781881 930165334 /nfs/dbraw/zinc/16/53/34/930165334.db2.gz YGGWFQWAMZZSLV-CABCVRRESA-N 1 1 393.484 3.729 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470129103 930393442 /nfs/dbraw/zinc/39/34/42/930393442.db2.gz SOXITYSINUECTL-MRXNPFEDSA-N 1 1 386.427 3.720 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000470139545 930400143 /nfs/dbraw/zinc/40/01/43/930400143.db2.gz DIOOTGPTIPAUEY-WMLDXEAASA-N 1 1 386.427 3.909 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000470176445 930432990 /nfs/dbraw/zinc/43/29/90/930432990.db2.gz KZITXLVKFOSWJD-RVDMUPIBSA-N 1 1 395.488 3.825 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000780389945 930504311 /nfs/dbraw/zinc/50/43/11/930504311.db2.gz KCPRRDDBEDBKGA-UHFFFAOYSA-N 1 1 395.422 3.823 20 5 GHBDMO CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546893577 930516506 /nfs/dbraw/zinc/51/65/06/930516506.db2.gz WTEFCHWINKZQMH-QFBILLFUSA-N 1 1 399.466 3.960 20 5 GHBDMO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780768901 930594710 /nfs/dbraw/zinc/59/47/10/930594710.db2.gz VQLFVYNSOABWJB-UIAACRFSSA-N 1 1 380.448 3.520 20 5 GHBDMO COc1cc(Cc2noc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000547172531 930760246 /nfs/dbraw/zinc/76/02/46/930760246.db2.gz MQZFDAHKZIAKJI-GOSISDBHSA-N 1 1 394.431 3.914 20 5 GHBDMO COc1cc(Cc2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000547172531 930760252 /nfs/dbraw/zinc/76/02/52/930760252.db2.gz MQZFDAHKZIAKJI-GOSISDBHSA-N 1 1 394.431 3.914 20 5 GHBDMO O=C(C[N@@H+]1CCCC2(CCC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000470871964 930986216 /nfs/dbraw/zinc/98/62/16/930986216.db2.gz CPHOXLUDQXGYBX-UHFFFAOYSA-N 1 1 386.477 3.923 20 5 GHBDMO O=C(C[N@H+]1CCCC2(CCC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000470871964 930986227 /nfs/dbraw/zinc/98/62/27/930986227.db2.gz CPHOXLUDQXGYBX-UHFFFAOYSA-N 1 1 386.477 3.923 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)CC2)[nH+]c1C ZINC000924323842 931324812 /nfs/dbraw/zinc/32/48/12/931324812.db2.gz POTPORLZKYUNDY-UHFFFAOYSA-N 1 1 390.871 3.927 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C(C)=O)c3)C2)cc(OC)c1 ZINC000557607706 931571460 /nfs/dbraw/zinc/57/14/60/931571460.db2.gz XDUUQQNMQRQGLH-QGZVFWFLSA-N 1 1 399.447 3.501 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C(C)=O)c3)C2)cc(OC)c1 ZINC000557607706 931571471 /nfs/dbraw/zinc/57/14/71/931571471.db2.gz XDUUQQNMQRQGLH-QGZVFWFLSA-N 1 1 399.447 3.501 20 5 GHBDMO O=C([C@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2)N1CCCCC1 ZINC000783660613 931610668 /nfs/dbraw/zinc/61/06/68/931610668.db2.gz NIKZGNRXURQFLL-MRXNPFEDSA-N 1 1 391.899 3.863 20 5 GHBDMO C/C(=C\C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783893278 931706554 /nfs/dbraw/zinc/70/65/54/931706554.db2.gz IUMYDBKBBRPKLC-BMRADRMJSA-N 1 1 379.460 3.563 20 5 GHBDMO C/C(=C/C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895277 931706848 /nfs/dbraw/zinc/70/68/48/931706848.db2.gz YPGORIPUYVBILZ-QKXCFHHRSA-N 1 1 385.489 3.623 20 5 GHBDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000784031344 931761843 /nfs/dbraw/zinc/76/18/43/931761843.db2.gz VDQAMIONJISZNF-GOSISDBHSA-N 1 1 377.448 3.917 20 5 GHBDMO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000558167462 931869598 /nfs/dbraw/zinc/86/95/98/931869598.db2.gz SRTQZPIHJCKACA-SFHVURJKSA-N 1 1 387.436 3.634 20 5 GHBDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000558167462 931869601 /nfs/dbraw/zinc/86/96/01/931869601.db2.gz SRTQZPIHJCKACA-SFHVURJKSA-N 1 1 387.436 3.634 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000784506639 931916977 /nfs/dbraw/zinc/91/69/77/931916977.db2.gz GYEBZJYPHWUOMY-BPQIPLTHSA-N 1 1 375.469 3.720 20 5 GHBDMO Cc1cc(COC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)ccc1[N+](=O)[O-] ZINC000784697280 931981817 /nfs/dbraw/zinc/98/18/17/931981817.db2.gz IVYLJGQDLOYAQA-UHFFFAOYSA-N 1 1 388.330 3.779 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000558761307 932217492 /nfs/dbraw/zinc/21/74/92/932217492.db2.gz ADQRFIUEZDWXEH-GOSISDBHSA-N 1 1 387.436 3.544 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc2ccc(Br)cn12 ZINC000559073322 932413528 /nfs/dbraw/zinc/41/35/28/932413528.db2.gz MISNSIUUBPIREX-UHFFFAOYSA-N 1 1 389.253 3.680 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000798193676 932559307 /nfs/dbraw/zinc/55/93/07/932559307.db2.gz MDNLXZLCKFILEB-KYJSFNMBSA-N 1 1 395.887 3.592 20 5 GHBDMO C[C@@H](NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000798373254 932619132 /nfs/dbraw/zinc/61/91/32/932619132.db2.gz ZCWDSTHWJYHIMW-VGSWGCGISA-N 1 1 396.491 3.867 20 5 GHBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2Cc2ccccc2Br)n1 ZINC000559478982 932698947 /nfs/dbraw/zinc/69/89/47/932698947.db2.gz HAAHHYJRYXJXCE-OAHLLOKOSA-N 1 1 393.285 3.651 20 5 GHBDMO C[C@]1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000799011518 932850965 /nfs/dbraw/zinc/85/09/65/932850965.db2.gz SGRVACVORQFLGF-JOCHJYFZSA-N 1 1 392.459 3.718 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)c2)c1 ZINC000560001656 933011496 /nfs/dbraw/zinc/01/14/96/933011496.db2.gz HZQFKEREOYNZBD-JOCHJYFZSA-N 1 1 392.459 3.749 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c2ccc([N+](=O)[O-])cc12 ZINC000799943196 933182347 /nfs/dbraw/zinc/18/23/47/933182347.db2.gz QQQZOWBEJVAQAW-MRXNPFEDSA-N 1 1 394.479 3.623 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)NCc1ccco1 ZINC001116012576 933281675 /nfs/dbraw/zinc/28/16/75/933281675.db2.gz DETVNNQOHOCSPL-UHFFFAOYSA-N 1 1 389.795 3.507 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1Cc1ccccc1 ZINC001116220028 933411457 /nfs/dbraw/zinc/41/14/57/933411457.db2.gz WYJBOONIWCKKEQ-JXFKEZNVSA-N 1 1 394.475 3.673 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC001116377995 933520356 /nfs/dbraw/zinc/52/03/56/933520356.db2.gz VJNMDKUEDPJKDS-IRXDYDNUSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC001116377995 933520360 /nfs/dbraw/zinc/52/03/60/933520360.db2.gz VJNMDKUEDPJKDS-IRXDYDNUSA-N 1 1 392.818 3.954 20 5 GHBDMO C[C@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001116497319 933591839 /nfs/dbraw/zinc/59/18/39/933591839.db2.gz IHFDNNWCYQAZTD-FUHWJXTLSA-N 1 1 394.475 3.531 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001116734797 933727310 /nfs/dbraw/zinc/72/73/10/933727310.db2.gz ZSXGZTMGPJWOOQ-VQIMIIECSA-N 1 1 386.427 3.918 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001116734797 933727314 /nfs/dbraw/zinc/72/73/14/933727314.db2.gz ZSXGZTMGPJWOOQ-VQIMIIECSA-N 1 1 386.427 3.918 20 5 GHBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1csc([N+](=O)[O-])c1 ZINC000561109500 933874735 /nfs/dbraw/zinc/87/47/35/933874735.db2.gz GDHDRTAHJZVVGI-UHFFFAOYSA-N 1 1 380.429 3.866 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC001118591139 934204863 /nfs/dbraw/zinc/20/48/63/934204863.db2.gz HNJFZYHNZUVPHF-SJCJKPOMSA-N 1 1 387.871 3.645 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](Cc4nccs4)C3)n2)cc1 ZINC000932200465 934848325 /nfs/dbraw/zinc/84/83/25/934848325.db2.gz QMDSXRQNTCHCSJ-ZDUSSCGKSA-N 1 1 385.449 3.556 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](Cc4nccs4)C3)n2)cc1 ZINC000932200465 934848331 /nfs/dbraw/zinc/84/83/31/934848331.db2.gz QMDSXRQNTCHCSJ-ZDUSSCGKSA-N 1 1 385.449 3.556 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1 ZINC000468199440 1015397171 /nfs/dbraw/zinc/39/71/71/1015397171.db2.gz BOXIIUZFHCUSGD-UHFFFAOYSA-N 1 1 392.253 3.980 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000545695429 1016255223 /nfs/dbraw/zinc/25/52/23/1016255223.db2.gz OZSBISLZPLUFFH-SFHVURJKSA-N 1 1 380.404 3.527 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000545695429 1016255231 /nfs/dbraw/zinc/25/52/31/1016255231.db2.gz OZSBISLZPLUFFH-SFHVURJKSA-N 1 1 380.404 3.527 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594375483 999416857 /nfs/dbraw/zinc/41/68/57/999416857.db2.gz ULKNCLTWQVDGFZ-INIZCTEOSA-N 1 1 389.496 3.770 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001227044615 1032250416 /nfs/dbraw/zinc/25/04/16/1032250416.db2.gz OYWWBKWLALCVNF-HNAYVOBHSA-N 1 1 384.432 3.671 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2nc3c(cccc3[N+](=O)[O-])o2)O1 ZINC001227236156 1032336093 /nfs/dbraw/zinc/33/60/93/1032336093.db2.gz PHPDQOMFEJYKGI-MRXNPFEDSA-N 1 1 397.431 3.794 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2nc3c(cccc3[N+](=O)[O-])o2)O1 ZINC001227236156 1032336107 /nfs/dbraw/zinc/33/61/07/1032336107.db2.gz PHPDQOMFEJYKGI-MRXNPFEDSA-N 1 1 397.431 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4CCc5ccccc5[C@H]4C3)c2c1 ZINC001155092047 1032410139 /nfs/dbraw/zinc/41/01/39/1032410139.db2.gz PYMNEEMMZTXZTB-GOSISDBHSA-N 1 1 395.850 3.611 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4CCc5ccccc5[C@H]4C3)c2c1 ZINC001155092047 1032410148 /nfs/dbraw/zinc/41/01/48/1032410148.db2.gz PYMNEEMMZTXZTB-GOSISDBHSA-N 1 1 395.850 3.611 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC001155251108 1032471943 /nfs/dbraw/zinc/47/19/43/1032471943.db2.gz LQBLNMKBQYQJEI-UHFFFAOYSA-N 1 1 391.855 3.541 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC001155251108 1032471949 /nfs/dbraw/zinc/47/19/49/1032471949.db2.gz LQBLNMKBQYQJEI-UHFFFAOYSA-N 1 1 391.855 3.541 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001221792871 1032536028 /nfs/dbraw/zinc/53/60/28/1032536028.db2.gz XXCJFUXZRWKTIX-MRXNPFEDSA-N 1 1 382.892 3.702 20 5 GHBDMO COC(=O)c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001227897457 1032677034 /nfs/dbraw/zinc/67/70/34/1032677034.db2.gz QCVQFZJDCCUKGJ-MAUKXSAKSA-N 1 1 384.432 3.671 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000562847777 1018704732 /nfs/dbraw/zinc/70/47/32/1018704732.db2.gz NXJAOEOHUJKEOE-UNMCSNQZSA-N 1 1 395.503 3.549 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000562847777 1018704739 /nfs/dbraw/zinc/70/47/39/1018704739.db2.gz NXJAOEOHUJKEOE-UNMCSNQZSA-N 1 1 395.503 3.549 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000562847775 1018705278 /nfs/dbraw/zinc/70/52/78/1018705278.db2.gz NXJAOEOHUJKEOE-IRLDBZIGSA-N 1 1 395.503 3.549 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000562847775 1018705287 /nfs/dbraw/zinc/70/52/87/1018705287.db2.gz NXJAOEOHUJKEOE-IRLDBZIGSA-N 1 1 395.503 3.549 20 5 GHBDMO CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000565158675 1019170541 /nfs/dbraw/zinc/17/05/41/1019170541.db2.gz UOLUSBUGMHBUMI-UHFFFAOYSA-N 1 1 381.432 3.574 20 5 GHBDMO CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000565158675 1019170549 /nfs/dbraw/zinc/17/05/49/1019170549.db2.gz UOLUSBUGMHBUMI-UHFFFAOYSA-N 1 1 381.432 3.574 20 5 GHBDMO C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000579620898 1020427535 /nfs/dbraw/zinc/42/75/35/1020427535.db2.gz ICLKSEPGNKEVSP-SFHVURJKSA-N 1 1 395.503 3.995 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000246264198 1021049780 /nfs/dbraw/zinc/04/97/80/1021049780.db2.gz LNDVKEYUFNOYAG-PIPMEXSNSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000246264198 1021049787 /nfs/dbraw/zinc/04/97/87/1021049787.db2.gz LNDVKEYUFNOYAG-PIPMEXSNSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000246264198 1021049798 /nfs/dbraw/zinc/04/97/98/1021049798.db2.gz LNDVKEYUFNOYAG-PIPMEXSNSA-N 1 1 383.492 3.613 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000754361280 1022640057 /nfs/dbraw/zinc/64/00/57/1022640057.db2.gz RONJLENIJYDQNG-RUDRXDDOSA-N 1 1 379.460 3.731 20 5 GHBDMO CCOc1cc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000755067669 1023056741 /nfs/dbraw/zinc/05/67/41/1023056741.db2.gz QLGSGGQMBLAGAE-GOEBONIOSA-N 1 1 393.484 3.729 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000755135697 1023088382 /nfs/dbraw/zinc/08/83/82/1023088382.db2.gz ZPTVCKDHYITCLU-CRAIPNDOSA-N 1 1 395.793 3.588 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000755935680 1023443062 /nfs/dbraw/zinc/44/30/62/1023443062.db2.gz SYKMHZFYYAYRRW-GOSISDBHSA-N 1 1 392.463 3.541 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000755935680 1023443064 /nfs/dbraw/zinc/44/30/64/1023443064.db2.gz SYKMHZFYYAYRRW-GOSISDBHSA-N 1 1 392.463 3.541 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000756183451 1023549457 /nfs/dbraw/zinc/54/94/57/1023549457.db2.gz LWXXVLHXRDQIND-SQFISAMPSA-N 1 1 380.448 3.618 20 5 GHBDMO C[N@H+]1CCc2cc(OC3CCN(c4cccc(F)c4[N+](=O)[O-])CC3)ccc2C1 ZINC001228943010 1033192837 /nfs/dbraw/zinc/19/28/37/1033192837.db2.gz COEDHXXAQKLJTO-UHFFFAOYSA-N 1 1 385.439 3.770 20 5 GHBDMO COC(=O)c1c(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC001229049716 1033250189 /nfs/dbraw/zinc/25/01/89/1033250189.db2.gz IYNQHOIRRTXOLM-CQSZACIVSA-N 1 1 390.823 3.688 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001162314413 1025711835 /nfs/dbraw/zinc/71/18/35/1025711835.db2.gz UQZYXNJSCBUSCX-HNNXBMFYSA-N 1 1 387.440 3.540 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001162592176 1025814671 /nfs/dbraw/zinc/81/46/71/1025814671.db2.gz XNOFGMPCDSEJRC-SFHVURJKSA-N 1 1 395.381 3.663 20 5 GHBDMO CC[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001162723863 1025892582 /nfs/dbraw/zinc/89/25/82/1025892582.db2.gz BDFUODBMHSUHAZ-RBUKOAKNSA-N 1 1 391.418 3.965 20 5 GHBDMO CC[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001162723863 1025892603 /nfs/dbraw/zinc/89/26/03/1025892603.db2.gz BDFUODBMHSUHAZ-RBUKOAKNSA-N 1 1 391.418 3.965 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)n1 ZINC000839468290 1025957401 /nfs/dbraw/zinc/95/74/01/1025957401.db2.gz VPZXYOGTNIMMTR-ZDUSSCGKSA-N 1 1 391.269 3.835 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)n1 ZINC000839468290 1025957408 /nfs/dbraw/zinc/95/74/08/1025957408.db2.gz VPZXYOGTNIMMTR-ZDUSSCGKSA-N 1 1 391.269 3.835 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000839500234 1025987387 /nfs/dbraw/zinc/98/73/87/1025987387.db2.gz DPWVAIUHXYHWCP-SJORKVTESA-N 1 1 389.477 3.573 20 5 GHBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CCCO)c2ccccc2)c1Br ZINC000839541626 1026033906 /nfs/dbraw/zinc/03/39/06/1026033906.db2.gz GRUBZJJMAZFXRN-HNNXBMFYSA-N 1 1 379.254 3.961 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000839601615 1026100877 /nfs/dbraw/zinc/10/08/77/1026100877.db2.gz LEHLXCSVOCIWPV-INIZCTEOSA-N 1 1 377.485 3.716 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1cccc(Br)c1 ZINC000839641246 1026149019 /nfs/dbraw/zinc/14/90/19/1026149019.db2.gz NQUNBGYOGPZUCN-QGZVFWFLSA-N 1 1 379.254 3.565 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000839674106 1026190422 /nfs/dbraw/zinc/19/04/22/1026190422.db2.gz BXEKQWOXJYPTQP-FQEVSTJZSA-N 1 1 391.468 3.579 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000839674106 1026190425 /nfs/dbraw/zinc/19/04/25/1026190425.db2.gz BXEKQWOXJYPTQP-FQEVSTJZSA-N 1 1 391.468 3.579 20 5 GHBDMO CN(C)C1(CNc2nc3c(ccc4ccccc43)nc2Cl)CC[NH+](C)CC1 ZINC001164212205 1026454355 /nfs/dbraw/zinc/45/43/55/1026454355.db2.gz ZTCXSCYCMKATOT-UHFFFAOYSA-N 1 1 383.927 3.874 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC001165182211 1026651724 /nfs/dbraw/zinc/65/17/24/1026651724.db2.gz UZQTXHLEXHQIGE-OXJNMPFZSA-N 1 1 391.475 3.885 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001165202065 1026663409 /nfs/dbraw/zinc/66/34/09/1026663409.db2.gz RRTGVXDFYPUHCU-HOTGVXAUSA-N 1 1 377.448 3.637 20 5 GHBDMO Cc1c(CO[NH+]=C(N)C2CCN(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000842111074 1029076137 /nfs/dbraw/zinc/07/61/37/1029076137.db2.gz XQRJOLLEAFQSTE-UHFFFAOYSA-N 1 1 392.456 3.549 20 5 GHBDMO COC(=O)c1cc(CO[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001223688372 1030706190 /nfs/dbraw/zinc/70/61/90/1030706190.db2.gz KWJDVVBDNJBHKE-HRAATJIYSA-N 1 1 398.459 3.809 20 5 GHBDMO COc1cc(CO[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC001223907492 1030802520 /nfs/dbraw/zinc/80/25/20/1030802520.db2.gz RSPUHGKBXJGFDF-MRXNPFEDSA-N 1 1 387.436 3.501 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4C[C@H]5CC[NH2+][C@@H]5C4)ccc3c21 ZINC001218248780 1030852293 /nfs/dbraw/zinc/85/22/93/1030852293.db2.gz VCEHYGRHKYWZTA-JDSLSITLSA-N 1 1 377.396 3.917 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001461711803 1069694748 /nfs/dbraw/zinc/69/47/48/1069694748.db2.gz HMFVDENDDHYXQD-JOCHJYFZSA-N 1 1 395.503 3.896 20 5 GHBDMO O=C1C[C@H]2C[C@@H](OCCc3ccc([N+](=O)[O-])cc3)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001224334294 1030972381 /nfs/dbraw/zinc/97/23/81/1030972381.db2.gz VTZMAENGKSYBAS-KSEOMHKRSA-N 1 1 380.444 3.529 20 5 GHBDMO Cc1ccc(CNCC2([N@H+](C)Cc3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC001461733909 1069710122 /nfs/dbraw/zinc/71/01/22/1069710122.db2.gz IJZGQUKCLDYONU-UHFFFAOYSA-N 1 1 383.492 3.674 20 5 GHBDMO Cc1ccc(CNCC2([N@@H+](C)Cc3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC001461733909 1069710128 /nfs/dbraw/zinc/71/01/28/1069710128.db2.gz IJZGQUKCLDYONU-UHFFFAOYSA-N 1 1 383.492 3.674 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H](N)c1ccsc1 ZINC001219005465 1031207308 /nfs/dbraw/zinc/20/73/08/1031207308.db2.gz ORBWXPYEPFBTTO-IBGZPJMESA-N 1 1 392.484 3.657 20 5 GHBDMO CCOc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC001219317592 1031353751 /nfs/dbraw/zinc/35/37/51/1031353751.db2.gz GSVLSYGTWNIMAM-YJBOKZPZSA-N 1 1 398.463 3.778 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001225451339 1031422126 /nfs/dbraw/zinc/42/21/26/1031422126.db2.gz QPANASGRQPUNHG-LFUKPOHLSA-N 1 1 396.443 3.671 20 5 GHBDMO Cc1cc[nH+]c(N2CCC(Oc3ncc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC001225751115 1031580141 /nfs/dbraw/zinc/58/01/41/1031580141.db2.gz VFVYVAAFHULXOP-UHFFFAOYSA-N 1 1 393.241 3.504 20 5 GHBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C[C@H]1[N@H+]2C ZINC001225972998 1031724338 /nfs/dbraw/zinc/72/43/38/1031724338.db2.gz NVMPWFVTKQWNJV-VXSCBNMQSA-N 1 1 396.443 3.807 20 5 GHBDMO CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](CC)C1 ZINC001229244575 1033364918 /nfs/dbraw/zinc/36/49/18/1033364918.db2.gz JIFMNKGEAPORCC-GFCCVEGCSA-N 1 1 385.258 3.813 20 5 GHBDMO CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](CC)C1 ZINC001229244575 1033364929 /nfs/dbraw/zinc/36/49/29/1033364929.db2.gz JIFMNKGEAPORCC-GFCCVEGCSA-N 1 1 385.258 3.813 20 5 GHBDMO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001157524216 1033637524 /nfs/dbraw/zinc/63/75/24/1033637524.db2.gz LDSMNTDEVLGVPJ-AZUAARDMSA-N 1 1 395.503 3.769 20 5 GHBDMO CN(CC[N@@H+](C)Cc1ccccc1)c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001157554587 1033656375 /nfs/dbraw/zinc/65/63/75/1033656375.db2.gz SROPOEPPARZWAP-UHFFFAOYSA-N 1 1 385.855 3.760 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1-n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001157608667 1033687617 /nfs/dbraw/zinc/68/76/17/1033687617.db2.gz AFAMQOIJAWAGHK-UHFFFAOYSA-N 1 1 378.219 3.772 20 5 GHBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001230464359 1034075396 /nfs/dbraw/zinc/07/53/96/1034075396.db2.gz HNCKIJQBJLGEFU-RLLQIKCJSA-N 1 1 386.496 3.501 20 5 GHBDMO O=[N+]([O-])c1c2c(cc(Br)c1OC1CC[NH+](CCF)CC1)CCC2 ZINC001230495009 1034091091 /nfs/dbraw/zinc/09/10/91/1034091091.db2.gz XUXNCIGGWJBLBC-UHFFFAOYSA-N 1 1 387.249 3.659 20 5 GHBDMO COc1cc(O[C@@H]2CC[N@H+](C(C)C)C2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001230525714 1034103125 /nfs/dbraw/zinc/10/31/25/1034103125.db2.gz ILICHTQWQMMVDY-CYBMUJFWSA-N 1 1 399.443 3.531 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC001207209626 1034176997 /nfs/dbraw/zinc/17/69/97/1034176997.db2.gz QLCRLOFLCKZNHS-UHFFFAOYSA-N 1 1 389.883 3.888 20 5 GHBDMO C[NH+](C)/C=C/c1cc(NC[C@@H](O)c2c(Cl)cccc2Cl)ncc1[N+](=O)[O-] ZINC001159037452 1034396276 /nfs/dbraw/zinc/39/62/76/1034396276.db2.gz QZXLAJSASSCANP-LQYUOIDQSA-N 1 1 397.262 3.974 20 5 GHBDMO O=c1ccc2nc3ccc(O[C@H]4CCN5Cc6ccccc6[NH+]=C45)cc3oc-2c1 ZINC001231334406 1034526591 /nfs/dbraw/zinc/52/65/91/1034526591.db2.gz ITQVIOGKVMLPAT-FQEVSTJZSA-N 1 1 383.407 3.990 20 5 GHBDMO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc3ccc4cccnc4c3n2)N1CC1CC1 ZINC001232219379 1035168029 /nfs/dbraw/zinc/16/80/29/1035168029.db2.gz BPHMWRQPVTXKHE-SFTDATJTSA-N 1 1 386.499 3.758 20 5 GHBDMO COc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232227163 1035172390 /nfs/dbraw/zinc/17/23/90/1035172390.db2.gz HEGRLMDWOXXHGG-LJQANCHMSA-N 1 1 386.455 3.840 20 5 GHBDMO CSc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC001161885270 1035321598 /nfs/dbraw/zinc/32/15/98/1035321598.db2.gz LSEZOBUSPPLIQE-ZDUSSCGKSA-N 1 1 393.900 3.837 20 5 GHBDMO COc1ccccc1C1(N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[NH2+]CC1 ZINC001246376021 1037333238 /nfs/dbraw/zinc/33/32/38/1037333238.db2.gz JZKIBPTXMGSTKC-LJQANCHMSA-N 1 1 395.503 3.719 20 5 GHBDMO COc1cccc(C2([NH2+][C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CCNCC2)c1 ZINC001246415989 1037371067 /nfs/dbraw/zinc/37/10/67/1037371067.db2.gz OFVHHGJVKKGUNZ-HXUWFJFHSA-N 1 1 395.503 3.719 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001247667468 1038304529 /nfs/dbraw/zinc/30/45/29/1038304529.db2.gz WSUWLGMJLKIAGT-ZDUSSCGKSA-N 1 1 378.310 3.906 20 5 GHBDMO Cc1ccc(N2CCC(Oc3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)[nH+]c1 ZINC001233751284 1039588574 /nfs/dbraw/zinc/58/85/74/1039588574.db2.gz SZUMYYDVVJTXDU-UHFFFAOYSA-N 1 1 382.342 3.760 20 5 GHBDMO CC[N@@H+]1CC[C@H](Oc2c(C(C)=O)ccc(OCc3ccccc3)c2[N+](=O)[O-])C1 ZINC001233830509 1039651099 /nfs/dbraw/zinc/65/10/99/1039651099.db2.gz RYHHTSVOICMBFU-KRWDZBQOSA-N 1 1 384.432 3.849 20 5 GHBDMO CC[N@H+]1CC[C@H](Oc2c(C(C)=O)ccc(OCc3ccccc3)c2[N+](=O)[O-])C1 ZINC001233830509 1039651106 /nfs/dbraw/zinc/65/11/06/1039651106.db2.gz RYHHTSVOICMBFU-KRWDZBQOSA-N 1 1 384.432 3.849 20 5 GHBDMO COc1c(O)cc(O[C@H]2CCC[N@H+](C(C)C)C2)c2c(=O)c3ccccc3n(C)c12 ZINC001234175582 1039909721 /nfs/dbraw/zinc/90/97/21/1039909721.db2.gz IKZADDWDMLVPQI-HNNXBMFYSA-N 1 1 396.487 3.658 20 5 GHBDMO C[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001234357410 1039982675 /nfs/dbraw/zinc/98/26/75/1039982675.db2.gz CSVKDLIIIWRLPT-HLIPFELVSA-N 1 1 396.491 3.723 20 5 GHBDMO COc1c(O)ccc2c(=O)c3c(O[C@H]4CCC[N@@H+](C(C)C)C4)cc(O)cc3oc21 ZINC001234752127 1040279611 /nfs/dbraw/zinc/27/96/11/1040279611.db2.gz UZNFWWABHCWBSC-AWEZNQCLSA-N 1 1 399.443 3.618 20 5 GHBDMO COc1c(O)ccc2c(=O)c3c(O[C@H]4CCC[N@H+](C(C)C)C4)cc(O)cc3oc21 ZINC001234752127 1040279628 /nfs/dbraw/zinc/27/96/28/1040279628.db2.gz UZNFWWABHCWBSC-AWEZNQCLSA-N 1 1 399.443 3.618 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001254537795 1040308910 /nfs/dbraw/zinc/30/89/10/1040308910.db2.gz HPPSNVWGHDEWDH-CZUORRHYSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1[C@H](C(N)=O)c1ccccc1 ZINC001254560283 1040331256 /nfs/dbraw/zinc/33/12/56/1040331256.db2.gz RIMQRVIISADOAF-TYCQWZJGSA-N 1 1 381.476 3.649 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001254560435 1040332596 /nfs/dbraw/zinc/33/25/96/1040332596.db2.gz SGVZFMRGVSYJPP-VYCZESIESA-N 1 1 389.496 3.761 20 5 GHBDMO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C3)CC2=O)cc1 ZINC001254561693 1040334699 /nfs/dbraw/zinc/33/46/99/1040334699.db2.gz IIUDYQHMMKFGQA-MBSDFSHPSA-N 1 1 393.487 3.963 20 5 GHBDMO Cc1ccc2c(n1)N(CC1CC1)CC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562572 1040336849 /nfs/dbraw/zinc/33/68/49/1040336849.db2.gz NCLUXKMMHQIRRV-KRWDZBQOSA-N 1 1 380.492 3.961 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001254565192 1040340641 /nfs/dbraw/zinc/34/06/41/1040340641.db2.gz NQNPWJCEZUAXFF-HOTGVXAUSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001254571388 1040348316 /nfs/dbraw/zinc/34/83/16/1040348316.db2.gz UDJKQNIUSFBNRC-MAUKXSAKSA-N 1 1 389.496 4.000 20 5 GHBDMO O=[N+]([O-])c1cnc(Cl)c(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255457069 1041061073 /nfs/dbraw/zinc/06/10/73/1041061073.db2.gz QDBDHLIXOUNUBV-ZDUSSCGKSA-N 1 1 385.811 3.683 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001278981638 1043783715 /nfs/dbraw/zinc/78/37/15/1043783715.db2.gz GKCMXMAQUSEULL-GOSISDBHSA-N 1 1 396.491 3.810 20 5 GHBDMO C[C@@H]1C[N@H+](CCc2nnc(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)o2)C[C@H](C)O1 ZINC001258120345 1044407238 /nfs/dbraw/zinc/40/72/38/1044407238.db2.gz RAJRGDLKNFGDNY-OKILXGFUSA-N 1 1 398.419 3.557 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001295338508 1044984004 /nfs/dbraw/zinc/98/40/04/1044984004.db2.gz JTEIXEYLFVPABP-MRXNPFEDSA-N 1 1 375.513 3.990 20 5 GHBDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(Cl)cc1 ZINC001297667002 1045599946 /nfs/dbraw/zinc/59/99/46/1045599946.db2.gz QIQUUGSIXMENMI-SFHVURJKSA-N 1 1 390.871 3.643 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC12CCCCC2 ZINC001298171048 1045723088 /nfs/dbraw/zinc/72/30/88/1045723088.db2.gz VAIABHRFFAIETA-UHFFFAOYSA-N 1 1 385.386 3.704 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001261503617 1046012795 /nfs/dbraw/zinc/01/27/95/1046012795.db2.gz GGZPDWAHAXPPDQ-HNNXBMFYSA-N 1 1 394.431 3.637 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001263627859 1047004920 /nfs/dbraw/zinc/00/49/20/1047004920.db2.gz YYMUVBHXSUUNEI-INIZCTEOSA-N 1 1 398.463 3.732 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)s1 ZINC001306973378 1048987308 /nfs/dbraw/zinc/98/73/08/1048987308.db2.gz WBMLQLFOSKBEEP-UHFFFAOYSA-N 1 1 386.521 3.815 20 5 GHBDMO Cc1cc[nH+]c(N2CCN(c3cc(C)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC001306994850 1048997043 /nfs/dbraw/zinc/99/70/43/1048997043.db2.gz FROOWQHCHZLQJB-UHFFFAOYSA-N 1 1 380.370 3.952 20 5 GHBDMO CC1(C)CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001307460029 1049296058 /nfs/dbraw/zinc/29/60/58/1049296058.db2.gz BHFQEJDASKSRMG-UHFFFAOYSA-N 1 1 383.492 3.960 20 5 GHBDMO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001307460029 1049296069 /nfs/dbraw/zinc/29/60/69/1049296069.db2.gz BHFQEJDASKSRMG-UHFFFAOYSA-N 1 1 383.492 3.960 20 5 GHBDMO CC1(C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001307460029 1049296081 /nfs/dbraw/zinc/29/60/81/1049296081.db2.gz BHFQEJDASKSRMG-UHFFFAOYSA-N 1 1 383.492 3.960 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001307502605 1049343805 /nfs/dbraw/zinc/34/38/05/1049343805.db2.gz ZFEODZWMQWKOQV-MSOLQXFVSA-N 1 1 396.491 3.518 20 5 GHBDMO C[N@@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001307655788 1049482093 /nfs/dbraw/zinc/48/20/93/1049482093.db2.gz MIOSRXMAQVNFPT-SFHVURJKSA-N 1 1 390.281 3.846 20 5 GHBDMO C[N@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001307655788 1049482115 /nfs/dbraw/zinc/48/21/15/1049482115.db2.gz MIOSRXMAQVNFPT-SFHVURJKSA-N 1 1 390.281 3.846 20 5 GHBDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC001307716187 1049530486 /nfs/dbraw/zinc/53/04/86/1049530486.db2.gz SXRFTPNKFGKOQS-KRWDZBQOSA-N 1 1 399.491 3.708 20 5 GHBDMO CCOc1ccccc1C[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC001307716187 1049530498 /nfs/dbraw/zinc/53/04/98/1049530498.db2.gz SXRFTPNKFGKOQS-KRWDZBQOSA-N 1 1 399.491 3.708 20 5 GHBDMO CC[N@@H+](CCOc1ccccc1C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001307862797 1049645373 /nfs/dbraw/zinc/64/53/73/1049645373.db2.gz XHLFIDIRVFXCOY-UHFFFAOYSA-N 1 1 385.464 3.941 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001308129992 1049874100 /nfs/dbraw/zinc/87/41/00/1049874100.db2.gz XEFLRGJGZMZTSO-SFHVURJKSA-N 1 1 391.265 3.841 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)o1 ZINC001308476061 1049984572 /nfs/dbraw/zinc/98/45/72/1049984572.db2.gz ROUCSUNVNWTSOA-MRXNPFEDSA-N 1 1 380.326 3.945 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001310529286 1051421773 /nfs/dbraw/zinc/42/17/73/1051421773.db2.gz PPJURSBBKIOGQG-GOSISDBHSA-N 1 1 382.464 3.998 20 5 GHBDMO Cc1c(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311259129 1051973351 /nfs/dbraw/zinc/97/33/51/1051973351.db2.gz UHPJWLBURBJHDX-BJOHPYRUSA-N 1 1 386.374 3.526 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001335103329 1052034651 /nfs/dbraw/zinc/03/46/51/1052034651.db2.gz VSJDJLNKLGAGDL-QVKFZJNVSA-N 1 1 394.431 3.689 20 5 GHBDMO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001336855578 1052350708 /nfs/dbraw/zinc/35/07/08/1052350708.db2.gz AXXPUMVJZNWWKO-AWEZNQCLSA-N 1 1 380.452 3.874 20 5 GHBDMO C[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001313350705 1053027289 /nfs/dbraw/zinc/02/72/89/1053027289.db2.gz GGPOOMWULQQDPZ-ROUUACIJSA-N 1 1 396.491 3.614 20 5 GHBDMO C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001313350705 1053027292 /nfs/dbraw/zinc/02/72/92/1053027292.db2.gz GGPOOMWULQQDPZ-ROUUACIJSA-N 1 1 396.491 3.614 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H](C(N)=O)C1 ZINC001343091088 1053545469 /nfs/dbraw/zinc/54/54/69/1053545469.db2.gz VMEFPKFPCVEJGP-BDJLRTHQSA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H](C(N)=O)C1 ZINC001343091088 1053545479 /nfs/dbraw/zinc/54/54/79/1053545479.db2.gz VMEFPKFPCVEJGP-BDJLRTHQSA-N 1 1 377.828 3.594 20 5 GHBDMO Cc1c(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cnn1C1CCCC1 ZINC001343443878 1053774071 /nfs/dbraw/zinc/77/40/71/1053774071.db2.gz HHBJQMUKDSGOSG-IBGZPJMESA-N 1 1 398.463 3.646 20 5 GHBDMO Cc1c(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cnn1C1CCCC1 ZINC001343443878 1053774081 /nfs/dbraw/zinc/77/40/81/1053774081.db2.gz HHBJQMUKDSGOSG-IBGZPJMESA-N 1 1 398.463 3.646 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001317820799 1054267591 /nfs/dbraw/zinc/26/75/91/1054267591.db2.gz GHHAHDHTCRHEMN-XFXZXTDPSA-N 1 1 379.460 3.651 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001319486034 1055280528 /nfs/dbraw/zinc/28/05/28/1055280528.db2.gz PYHQNWWQZLVKDJ-YJBOKZPZSA-N 1 1 389.452 3.631 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001319486034 1055280536 /nfs/dbraw/zinc/28/05/36/1055280536.db2.gz PYHQNWWQZLVKDJ-YJBOKZPZSA-N 1 1 389.452 3.631 20 5 GHBDMO Cc1cccc(NC[C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC001319608661 1055357005 /nfs/dbraw/zinc/35/70/05/1055357005.db2.gz UFOUMMXEEFFULN-GOSISDBHSA-N 1 1 397.479 3.512 20 5 GHBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC001319715025 1055418543 /nfs/dbraw/zinc/41/85/43/1055418543.db2.gz CCJIWLMSKSGCIV-OAHLLOKOSA-N 1 1 385.489 3.814 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001320413320 1055792105 /nfs/dbraw/zinc/79/21/05/1055792105.db2.gz XODFRTCHTYOQJE-AWEZNQCLSA-N 1 1 382.302 3.521 20 5 GHBDMO Cc1nc(N2CCCCC2)sc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001320899344 1056005794 /nfs/dbraw/zinc/00/57/94/1056005794.db2.gz IKCMWFCLBRTYIT-UHFFFAOYSA-N 1 1 386.481 3.516 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001321299379 1056215559 /nfs/dbraw/zinc/21/55/59/1056215559.db2.gz SYWDZAFWLYLKQR-HNNXBMFYSA-N 1 1 375.469 3.948 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001321299379 1056215573 /nfs/dbraw/zinc/21/55/73/1056215573.db2.gz SYWDZAFWLYLKQR-HNNXBMFYSA-N 1 1 375.469 3.948 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001472867883 1056974926 /nfs/dbraw/zinc/97/49/26/1056974926.db2.gz NSHYTVKUHCLHMN-KRWDZBQOSA-N 1 1 384.436 3.994 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001356354812 1057486348 /nfs/dbraw/zinc/48/63/48/1057486348.db2.gz LGTAMMDZCPHZCA-DLBZAZTESA-N 1 1 399.466 3.788 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001442268872 1058943084 /nfs/dbraw/zinc/94/30/84/1058943084.db2.gz YAPNYWTZGILNDJ-IUODEOHRSA-N 1 1 391.830 3.953 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001447499711 1059972775 /nfs/dbraw/zinc/97/27/75/1059972775.db2.gz NPGNBCLFXHPEOZ-LJQANCHMSA-N 1 1 381.476 3.948 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001447499711 1059972777 /nfs/dbraw/zinc/97/27/77/1059972777.db2.gz NPGNBCLFXHPEOZ-LJQANCHMSA-N 1 1 381.476 3.948 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001340929076 1060257018 /nfs/dbraw/zinc/25/70/18/1060257018.db2.gz MQJQFLVBDJHBBD-CABCVRRESA-N 1 1 393.447 3.678 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001340929076 1060257036 /nfs/dbraw/zinc/25/70/36/1060257036.db2.gz MQJQFLVBDJHBBD-CABCVRRESA-N 1 1 393.447 3.678 20 5 GHBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001454874066 1061948586 /nfs/dbraw/zinc/94/85/86/1061948586.db2.gz HUUIUMIEVGACDN-HXUWFJFHSA-N 1 1 388.512 3.700 20 5 GHBDMO COc1ccc(C)cc1C[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC001458073116 1063545572 /nfs/dbraw/zinc/54/55/72/1063545572.db2.gz KSZKSLNWJVEJOZ-UHFFFAOYSA-N 1 1 392.459 3.782 20 5 GHBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001458356119 1063761392 /nfs/dbraw/zinc/76/13/92/1063761392.db2.gz ASHQDOSXYAIWFL-QGZVFWFLSA-N 1 1 397.401 3.671 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC[N@@H+](CC3CCCCC3)CC2)o1 ZINC001459342115 1064068454 /nfs/dbraw/zinc/06/84/54/1064068454.db2.gz JAIZJNOCAQUHTK-UHFFFAOYSA-N 1 1 399.495 3.733 20 5 GHBDMO C[C@@]1(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001466679686 1066252578 /nfs/dbraw/zinc/25/25/78/1066252578.db2.gz VLBOGFYQEQYKKG-FQEVSTJZSA-N 1 1 386.427 3.768 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001353856101 1066307371 /nfs/dbraw/zinc/30/73/71/1066307371.db2.gz KOYVIBLJLGCMMR-ZPMCFJSWSA-N 1 1 393.487 3.821 20 5 GHBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467547349 1067352295 /nfs/dbraw/zinc/35/22/95/1067352295.db2.gz BXSYDSIRSAYTCN-UHFFFAOYSA-N 1 1 390.443 3.928 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001361047564 1068751496 /nfs/dbraw/zinc/75/14/96/1068751496.db2.gz FQKZJTGJHMDRQN-BEFAXECRSA-N 1 1 399.516 3.957 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC001460205021 1068858220 /nfs/dbraw/zinc/85/82/20/1068858220.db2.gz YALHFOKUNPWBRG-HXUWFJFHSA-N 1 1 378.469 3.936 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001460209017 1068861146 /nfs/dbraw/zinc/86/11/46/1068861146.db2.gz YDPHMQKHMFRYRT-ZIAGYGMSSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001460209017 1068861162 /nfs/dbraw/zinc/86/11/62/1068861162.db2.gz YDPHMQKHMFRYRT-ZIAGYGMSSA-N 1 1 381.448 3.717 20 5 GHBDMO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460346437 1068935737 /nfs/dbraw/zinc/93/57/37/1068935737.db2.gz XSOKOINMCLGTRH-MOPGFXCFSA-N 1 1 386.448 3.655 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3cc[nH]c3c2)c([N+](=O)[O-])c1 ZINC001460671510 1069075198 /nfs/dbraw/zinc/07/51/98/1069075198.db2.gz BQOLMQPVTUASQY-ZDUSSCGKSA-N 1 1 382.420 3.544 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3cc[nH]c3c2)c([N+](=O)[O-])c1 ZINC001460671510 1069075201 /nfs/dbraw/zinc/07/52/01/1069075201.db2.gz BQOLMQPVTUASQY-ZDUSSCGKSA-N 1 1 382.420 3.544 20 5 GHBDMO CC[N@@H+](CCCNC(=O)NCc1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC001478430159 1078865434 /nfs/dbraw/zinc/86/54/34/1078865434.db2.gz ZTNZOQFULBRSDD-UHFFFAOYSA-N 1 1 376.501 3.747 20 5 GHBDMO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001470809614 1072751931 /nfs/dbraw/zinc/75/19/31/1072751931.db2.gz USENVXIUNMGNHS-INIZCTEOSA-N 1 1 391.830 3.668 20 5 GHBDMO C[C@H](NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001471326363 1073019973 /nfs/dbraw/zinc/01/99/73/1073019973.db2.gz JNSHRCBMOOEHKQ-SCWSEQNSSA-N 1 1 394.475 3.572 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001471826635 1073227888 /nfs/dbraw/zinc/22/78/88/1073227888.db2.gz QAMXMJUNOLUMNF-HUUCEWRRSA-N 1 1 377.510 3.551 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001472675635 1073610519 /nfs/dbraw/zinc/61/05/19/1073610519.db2.gz SAHJKVDOZHIDRG-CCCPALQASA-N 1 1 375.469 3.848 20 5 GHBDMO CCCCCCN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC001472713682 1073631054 /nfs/dbraw/zinc/63/10/54/1073631054.db2.gz QSKIACMEAFTNHD-UHFFFAOYSA-N 1 1 386.496 3.862 20 5 GHBDMO C[C@@H]1C[N@H+](CCCCNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC001472731134 1073640693 /nfs/dbraw/zinc/64/06/93/1073640693.db2.gz PWFQSUOWPDLGEJ-OKILXGFUSA-N 1 1 392.887 3.520 20 5 GHBDMO Cc1cc(N2CC([N@@H+](C)Cc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472781354 1073663259 /nfs/dbraw/zinc/66/32/59/1073663259.db2.gz IRJAKYLQUSLIPP-UHFFFAOYSA-N 1 1 389.459 3.681 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001472857619 1073697155 /nfs/dbraw/zinc/69/71/55/1073697155.db2.gz LWVKOUSTWMSVAE-INIZCTEOSA-N 1 1 375.469 3.899 20 5 GHBDMO Cc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC001473133816 1073797811 /nfs/dbraw/zinc/79/78/11/1073797811.db2.gz FELQGUWPXJEQAT-IBGZPJMESA-N 1 1 393.487 3.747 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)CC2 ZINC001473218093 1073867743 /nfs/dbraw/zinc/86/77/43/1073867743.db2.gz OCUSVPHFIMDJFM-QGZVFWFLSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)CC2 ZINC001473218093 1073867758 /nfs/dbraw/zinc/86/77/58/1073867758.db2.gz OCUSVPHFIMDJFM-QGZVFWFLSA-N 1 1 397.258 3.700 20 5 GHBDMO C[N@@H+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001473351048 1073931825 /nfs/dbraw/zinc/93/18/25/1073931825.db2.gz UAGZKBAXHTWTIM-GOSISDBHSA-N 1 1 390.281 3.846 20 5 GHBDMO C[N@H+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001473351048 1073931832 /nfs/dbraw/zinc/93/18/32/1073931832.db2.gz UAGZKBAXHTWTIM-GOSISDBHSA-N 1 1 390.281 3.846 20 5 GHBDMO CCc1ccc([C@@H]2CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473450801 1073968803 /nfs/dbraw/zinc/96/88/03/1073968803.db2.gz WYHXTJKSQJWANA-HXUWFJFHSA-N 1 1 393.487 3.926 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC001473451712 1073969940 /nfs/dbraw/zinc/96/99/40/1073969940.db2.gz DEDMKTHFTRTZIT-SFHVURJKSA-N 1 1 375.469 3.927 20 5 GHBDMO Cc1ccc(C[N@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC001473451712 1073969941 /nfs/dbraw/zinc/96/99/41/1073969941.db2.gz DEDMKTHFTRTZIT-SFHVURJKSA-N 1 1 375.469 3.927 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCCOC(F)(F)F)[C@H]1CC[C@H](O)CC1 ZINC001473589238 1074034284 /nfs/dbraw/zinc/03/42/84/1074034284.db2.gz UIONQWYSBKAOQE-SHTZXODSSA-N 1 1 376.375 3.627 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)cc1 ZINC001473816607 1074158528 /nfs/dbraw/zinc/15/85/28/1074158528.db2.gz CZRGCECWTMZXPT-QGZVFWFLSA-N 1 1 392.253 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2c2cncc(Br)c2)cc1 ZINC001473816607 1074158530 /nfs/dbraw/zinc/15/85/30/1074158530.db2.gz CZRGCECWTMZXPT-QGZVFWFLSA-N 1 1 392.253 3.968 20 5 GHBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001476325349 1075125471 /nfs/dbraw/zinc/12/54/71/1075125471.db2.gz QZWQEOGYTILNBB-AWEZNQCLSA-N 1 1 388.390 3.856 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001659938229 1126263719 /nfs/dbraw/zinc/26/37/19/1126263719.db2.gz FHMMWLKWRZWKAM-GOEBONIOSA-N 1 1 388.773 3.872 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2c1 ZINC001164623470 719061167 /nfs/dbraw/zinc/06/11/67/719061167.db2.gz JMBLRFFLZJPGNO-LAUBAEHRSA-N 1 1 389.459 3.639 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000302058888 861190112 /nfs/dbraw/zinc/19/01/12/861190112.db2.gz RUGGAYAQVLAZEY-MRXNPFEDSA-N 1 1 395.381 3.792 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000186992668 837520724 /nfs/dbraw/zinc/52/07/24/837520724.db2.gz GWYPDAGHYKGRTD-KBPBESRZSA-N 1 1 377.510 3.700 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000176718189 837722820 /nfs/dbraw/zinc/72/28/20/837722820.db2.gz CWUBLEJAOGIMEU-OXQOHEQNSA-N 1 1 382.464 3.663 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000176718189 837722830 /nfs/dbraw/zinc/72/28/30/837722830.db2.gz CWUBLEJAOGIMEU-OXQOHEQNSA-N 1 1 382.464 3.663 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175289015 834696300 /nfs/dbraw/zinc/69/63/00/834696300.db2.gz BXEHNBDFOIOBRC-LJQANCHMSA-N 1 1 381.476 3.887 20 5 GHBDMO Cc1ccccc1OCCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000052457578 834715610 /nfs/dbraw/zinc/71/56/10/834715610.db2.gz KJENYFMFDRHHAP-UHFFFAOYSA-N 1 1 382.420 3.854 20 5 GHBDMO Cc1ccccc1OCCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000052457578 834715616 /nfs/dbraw/zinc/71/56/16/834715616.db2.gz KJENYFMFDRHHAP-UHFFFAOYSA-N 1 1 382.420 3.854 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000247234938 837819511 /nfs/dbraw/zinc/81/95/11/837819511.db2.gz ODXMIMGVJIEULH-XJKSGUPXSA-N 1 1 398.891 3.507 20 5 GHBDMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000188005710 835327181 /nfs/dbraw/zinc/32/71/81/835327181.db2.gz YMIOZXWNDIPYMJ-INIZCTEOSA-N 1 1 397.475 3.648 20 5 GHBDMO COc1ccc(Cl)cc1CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000510119073 835394872 /nfs/dbraw/zinc/39/48/72/835394872.db2.gz WEDLYJYMYAMYEP-UHFFFAOYSA-N 1 1 389.883 3.617 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000179464124 835733405 /nfs/dbraw/zinc/73/34/05/835733405.db2.gz YIEZFOXKBACDGT-RBUKOAKNSA-N 1 1 382.464 3.575 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[C@@H]1c1ccccc1 ZINC000179488183 835740926 /nfs/dbraw/zinc/74/09/26/835740926.db2.gz NGLKEKRGPDMGHJ-SFTDATJTSA-N 1 1 394.475 3.714 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000102691893 835762639 /nfs/dbraw/zinc/76/26/39/835762639.db2.gz RLMPMPRXBYVDFM-AWEZNQCLSA-N 1 1 387.436 3.600 20 5 GHBDMO COc1cccc(OC(F)(F)F)c1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000513007336 844089679 /nfs/dbraw/zinc/08/96/79/844089679.db2.gz NIUXLPIVPZCVHE-UHFFFAOYSA-N 1 1 386.326 3.800 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2OCC(F)F)cc1[N+](=O)[O-] ZINC000179521466 835850999 /nfs/dbraw/zinc/85/09/99/835850999.db2.gz MULHLJNDPJKIFC-LBPRGKRZSA-N 1 1 381.379 3.883 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000535629004 836062438 /nfs/dbraw/zinc/06/24/38/836062438.db2.gz NEQKZSKRBVRGEM-OAHLLOKOSA-N 1 1 385.464 3.661 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110171332 836298387 /nfs/dbraw/zinc/29/83/87/836298387.db2.gz BWFUXYRJQYHRFM-HNNXBMFYSA-N 1 1 377.828 3.798 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174122402 836383464 /nfs/dbraw/zinc/38/34/64/836383464.db2.gz FIAIAVZGUROLCW-KRWDZBQOSA-N 1 1 398.463 3.589 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563067207 836464026 /nfs/dbraw/zinc/46/40/26/836464026.db2.gz FBQLKYJBHDRSNU-OCCSQVGLSA-N 1 1 386.395 3.596 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000510209916 836765902 /nfs/dbraw/zinc/76/59/02/836765902.db2.gz PKQAASPWMXARQT-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000510209916 836765905 /nfs/dbraw/zinc/76/59/05/836765905.db2.gz PKQAASPWMXARQT-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2F)C(C)C)c([N+](=O)[O-])c1 ZINC001167247588 837030407 /nfs/dbraw/zinc/03/04/07/837030407.db2.gz CBUBICBYDCXDDF-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO CC(C)[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000180070162 837065834 /nfs/dbraw/zinc/06/58/34/837065834.db2.gz WYLHQAMOVOWSMS-PKTZIBPZSA-N 1 1 396.535 3.546 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247196648 837207183 /nfs/dbraw/zinc/20/71/83/837207183.db2.gz BQOPIIJUEBCLMO-PXAZEXFGSA-N 1 1 377.441 3.608 20 5 GHBDMO CN(C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000180566845 837354569 /nfs/dbraw/zinc/35/45/69/837354569.db2.gz KYZQTQAXNLTQNM-INIZCTEOSA-N 1 1 399.344 3.980 20 5 GHBDMO O=C(C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)NCCc1ccccc1 ZINC000181103363 837838365 /nfs/dbraw/zinc/83/83/65/837838365.db2.gz FFNUWFFIFMHGDE-HSZRJFAPSA-N 1 1 389.455 3.633 20 5 GHBDMO Cc1cnc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000610283879 837918036 /nfs/dbraw/zinc/91/80/36/837918036.db2.gz UJPDHZIZFUTRNO-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000101561583 837954430 /nfs/dbraw/zinc/95/44/30/837954430.db2.gz QPRPKWIEHXMVSJ-CQSZACIVSA-N 1 1 386.427 3.637 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177589527 837980657 /nfs/dbraw/zinc/98/06/57/837980657.db2.gz ZGXCENZDPWOACP-LJQANCHMSA-N 1 1 378.469 3.544 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535669436 844288045 /nfs/dbraw/zinc/28/80/45/844288045.db2.gz NXBSWBIVKUIXTM-UHFFFAOYSA-N 1 1 393.487 3.652 20 5 GHBDMO COc1cc(C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)ccc1O ZINC000102176056 838073738 /nfs/dbraw/zinc/07/37/38/838073738.db2.gz VYBLZEQJWGUPMD-UHFFFAOYSA-N 1 1 399.447 3.611 20 5 GHBDMO O=C(Nc1cccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000892675502 838215580 /nfs/dbraw/zinc/21/55/80/838215580.db2.gz BWZZICNCICCQHG-SFHVURJKSA-N 1 1 389.839 3.656 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000610297636 838227647 /nfs/dbraw/zinc/22/76/47/838227647.db2.gz OJVXTMPBKNYEJV-APWZRJJASA-N 1 1 399.516 3.808 20 5 GHBDMO COc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000616360978 838251197 /nfs/dbraw/zinc/25/11/97/838251197.db2.gz WCSDORWDKYUTRW-MRXNPFEDSA-N 1 1 397.475 3.648 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001167322539 838307759 /nfs/dbraw/zinc/30/77/59/838307759.db2.gz YKSTUEHHBZUTMZ-UHFFFAOYSA-N 1 1 384.318 3.910 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1)C1CC1 ZINC000122795494 838354638 /nfs/dbraw/zinc/35/46/38/838354638.db2.gz JCIPCGRVXFDLRX-UHFFFAOYSA-N 1 1 379.420 3.708 20 5 GHBDMO C[C@@H]1C[NH2+]CC[C@H]1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414946582 839010209 /nfs/dbraw/zinc/01/02/09/839010209.db2.gz UCDDAIRWMBAAEY-IIBYNOLFSA-N 1 1 391.475 3.535 20 5 GHBDMO COc1cc(C[NH2+][C@H](CN)C(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415051609 839121928 /nfs/dbraw/zinc/12/19/28/839121928.db2.gz GLAVQTBGAPMBGH-HXUWFJFHSA-N 1 1 387.480 3.645 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c(Cl)c1 ZINC000541118294 839302433 /nfs/dbraw/zinc/30/24/33/839302433.db2.gz PRVUUNALQNGNTG-HNNXBMFYSA-N 1 1 385.645 3.834 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000580391967 839467352 /nfs/dbraw/zinc/46/73/52/839467352.db2.gz UZDIZFDVZTUISQ-CYBMUJFWSA-N 1 1 379.363 3.589 20 5 GHBDMO CN(C/C=C/C[N@H+](C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000052589543 844455187 /nfs/dbraw/zinc/45/51/87/844455187.db2.gz VZGSRSJNVZICAH-BQYQJAHWSA-N 1 1 384.436 3.623 20 5 GHBDMO CN(C/C=C/C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000052589543 844455191 /nfs/dbraw/zinc/45/51/91/844455191.db2.gz VZGSRSJNVZICAH-BQYQJAHWSA-N 1 1 384.436 3.623 20 5 GHBDMO CCCC[N@@H+]1CCCC[C@@H]1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236752143 839641352 /nfs/dbraw/zinc/64/13/52/839641352.db2.gz ROOJUWMTXHAFJL-HXUWFJFHSA-N 1 1 385.512 3.740 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236752143 839641357 /nfs/dbraw/zinc/64/13/57/839641357.db2.gz ROOJUWMTXHAFJL-HXUWFJFHSA-N 1 1 385.512 3.740 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000549295081 839875468 /nfs/dbraw/zinc/87/54/68/839875468.db2.gz SMDZLQOOCQZCMJ-QFIPXVFZSA-N 1 1 397.475 3.778 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000580606862 839892868 /nfs/dbraw/zinc/89/28/68/839892868.db2.gz MKQJJHUGORXLOI-OAQYLSRUSA-N 1 1 395.503 3.946 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000109960027 840078890 /nfs/dbraw/zinc/07/88/90/840078890.db2.gz YZHYRPXRJJYWBZ-HOTGVXAUSA-N 1 1 383.448 3.653 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000109960027 840078902 /nfs/dbraw/zinc/07/89/02/840078902.db2.gz YZHYRPXRJJYWBZ-HOTGVXAUSA-N 1 1 383.448 3.653 20 5 GHBDMO Cc1ccccc1OCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015099247 840178928 /nfs/dbraw/zinc/17/89/28/840178928.db2.gz MPPRGAJOLXXNFY-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO Cc1ccccc1OCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015099247 840178932 /nfs/dbraw/zinc/17/89/32/840178932.db2.gz MPPRGAJOLXXNFY-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO CNC(=O)c1ccc(NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000511605135 840486292 /nfs/dbraw/zinc/48/62/92/840486292.db2.gz SXMJRZZBGFSZNZ-WMZOPIPTSA-N 1 1 396.491 3.667 20 5 GHBDMO COc1cc2c(c(OC)c1OC)CC[N@H+]([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000432026975 840537392 /nfs/dbraw/zinc/53/73/92/840537392.db2.gz VQQNHWFOOCSMRS-CQSZACIVSA-N 1 1 386.448 3.782 20 5 GHBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467220981 840539951 /nfs/dbraw/zinc/53/99/51/840539951.db2.gz YOPZWVZTPQRSGH-AWEZNQCLSA-N 1 1 390.871 3.568 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000432020258 840548403 /nfs/dbraw/zinc/54/84/03/840548403.db2.gz RGTZLGQHUMYQSC-OXQOHEQNSA-N 1 1 392.402 3.840 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000432020258 840548404 /nfs/dbraw/zinc/54/84/04/840548404.db2.gz RGTZLGQHUMYQSC-OXQOHEQNSA-N 1 1 392.402 3.840 20 5 GHBDMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000046981013 844595368 /nfs/dbraw/zinc/59/53/68/844595368.db2.gz DYWCDGAUIUICQN-GOSISDBHSA-N 1 1 396.472 3.514 20 5 GHBDMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000046981013 844595373 /nfs/dbraw/zinc/59/53/73/844595373.db2.gz DYWCDGAUIUICQN-GOSISDBHSA-N 1 1 396.472 3.514 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000511645310 841306312 /nfs/dbraw/zinc/30/63/12/841306312.db2.gz JBDPCLIDMJMGJZ-FUHWJXTLSA-N 1 1 396.491 3.667 20 5 GHBDMO Cn1cc(C[NH2+]Cc2ccn(C3CCCC3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129002320 841312706 /nfs/dbraw/zinc/31/27/06/841312706.db2.gz FCGFEJMWGZMPAN-UHFFFAOYSA-N 1 1 380.452 3.597 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000322464664 844631222 /nfs/dbraw/zinc/63/12/22/844631222.db2.gz MRRAYJLACZCAAM-UXLLHSPISA-N 1 1 383.286 3.873 20 5 GHBDMO CN1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1=O ZINC000600178249 861194086 /nfs/dbraw/zinc/19/40/86/861194086.db2.gz IXIFDFMGDLPVRP-ZDUSSCGKSA-N 1 1 377.828 3.561 20 5 GHBDMO CCOc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135230487 841411180 /nfs/dbraw/zinc/41/11/80/841411180.db2.gz PDOLJOIRYDNJNF-UHFFFAOYSA-N 1 1 383.448 3.987 20 5 GHBDMO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000600183220 861206047 /nfs/dbraw/zinc/20/60/47/861206047.db2.gz BEYNEOPVFXDACY-UHFFFAOYSA-N 1 1 392.406 3.842 20 5 GHBDMO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000600183220 861206038 /nfs/dbraw/zinc/20/60/38/861206038.db2.gz BEYNEOPVFXDACY-UHFFFAOYSA-N 1 1 392.406 3.842 20 5 GHBDMO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276258276 841500492 /nfs/dbraw/zinc/50/04/92/841500492.db2.gz ARHYHICFYARKTR-UHFFFAOYSA-N 1 1 375.375 3.724 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500155730 841539737 /nfs/dbraw/zinc/53/97/37/841539737.db2.gz PAGGXDCIQZMLPT-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500155730 841539740 /nfs/dbraw/zinc/53/97/40/841539740.db2.gz PAGGXDCIQZMLPT-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500155730 841539746 /nfs/dbraw/zinc/53/97/46/841539746.db2.gz PAGGXDCIQZMLPT-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO CNC(=O)c1ccc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c([N+](=O)[O-])c1 ZINC000053551692 841746593 /nfs/dbraw/zinc/74/65/93/841746593.db2.gz ODLCIOKCRDSMBF-UHFFFAOYSA-N 1 1 379.420 3.774 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1OCc1ccccc1 ZINC000302188720 861233860 /nfs/dbraw/zinc/23/38/60/861233860.db2.gz XGSAMILEGRYRJW-INIZCTEOSA-N 1 1 379.420 3.676 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOc1ccccc1F ZINC000015046455 841823355 /nfs/dbraw/zinc/82/33/55/841823355.db2.gz JMCGVNILUVVHJG-ZDUSSCGKSA-N 1 1 386.383 3.856 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOc1ccccc1F ZINC000015046455 841823370 /nfs/dbraw/zinc/82/33/70/841823370.db2.gz JMCGVNILUVVHJG-ZDUSSCGKSA-N 1 1 386.383 3.856 20 5 GHBDMO CN(C)c1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc[nH+]1 ZINC000500436181 841896369 /nfs/dbraw/zinc/89/63/69/841896369.db2.gz LZBWCEUABBYOKG-UHFFFAOYSA-N 1 1 397.357 3.515 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)ccc1[N+](=O)[O-] ZINC000489800284 861248224 /nfs/dbraw/zinc/24/82/24/861248224.db2.gz BFANNGLITFUIDC-ZDUSSCGKSA-N 1 1 398.385 3.735 20 5 GHBDMO COc1ccc(C)cc1C[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000603842659 861257082 /nfs/dbraw/zinc/25/70/82/861257082.db2.gz HGCWMCBYBDMATL-UHFFFAOYSA-N 1 1 392.459 3.782 20 5 GHBDMO O=[N+]([O-])c1cccc2c(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)ccnc21 ZINC000432329967 841998111 /nfs/dbraw/zinc/99/81/11/841998111.db2.gz WBDBNMMMBFOPRF-FQEVSTJZSA-N 1 1 378.432 3.628 20 5 GHBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000603844888 861262613 /nfs/dbraw/zinc/26/26/13/861262613.db2.gz GACOXWCLOHWBGM-UHFFFAOYSA-N 1 1 380.423 3.994 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCN(C)c1ccccc1 ZINC000730808250 861295810 /nfs/dbraw/zinc/29/58/10/861295810.db2.gz FZSGMAYLAIXTGK-AWEZNQCLSA-N 1 1 390.871 3.643 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCN(C)c1ccccc1 ZINC000730808250 861295823 /nfs/dbraw/zinc/29/58/23/861295823.db2.gz FZSGMAYLAIXTGK-AWEZNQCLSA-N 1 1 390.871 3.643 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OC3CCCCC3)CC2)c2c(c1)COCO2 ZINC000125605743 842380276 /nfs/dbraw/zinc/38/02/76/842380276.db2.gz YLZZEQFRXVHCGL-UHFFFAOYSA-N 1 1 376.453 3.775 20 5 GHBDMO O=C(C[N@@H+]1CC[C@@H](COc2ccccc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780372214 842515134 /nfs/dbraw/zinc/51/51/34/842515134.db2.gz DOKSUNURCUXDNG-CQSZACIVSA-N 1 1 389.839 3.588 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](COc2ccccc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780372214 842515138 /nfs/dbraw/zinc/51/51/38/842515138.db2.gz DOKSUNURCUXDNG-CQSZACIVSA-N 1 1 389.839 3.588 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000481417521 861336985 /nfs/dbraw/zinc/33/69/85/861336985.db2.gz RWDZTJPCAUNUCT-MOPGFXCFSA-N 1 1 380.448 3.695 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000430704189 842856673 /nfs/dbraw/zinc/85/66/73/842856673.db2.gz XCGREKORJIWCMN-MAUKXSAKSA-N 1 1 392.459 3.859 20 5 GHBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000610582303 843095235 /nfs/dbraw/zinc/09/52/35/843095235.db2.gz DGZSUHSPYFQKBD-GOSISDBHSA-N 1 1 380.448 3.832 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000182148337 843254910 /nfs/dbraw/zinc/25/49/10/843254910.db2.gz ZWFOPFJMWYHDPZ-OAQYLSRUSA-N 1 1 399.491 3.545 20 5 GHBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000512403035 843664391 /nfs/dbraw/zinc/66/43/91/843664391.db2.gz JFIVMLYZSIZLIY-LKIHTYOGSA-N 1 1 384.411 3.643 20 5 GHBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000512403035 843664395 /nfs/dbraw/zinc/66/43/95/843664395.db2.gz JFIVMLYZSIZLIY-LKIHTYOGSA-N 1 1 384.411 3.643 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC3(CC2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000610738579 843801277 /nfs/dbraw/zinc/80/12/77/843801277.db2.gz CHPZEMDLGRPLFM-INIZCTEOSA-N 1 1 395.459 3.752 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137026457 843898580 /nfs/dbraw/zinc/89/85/80/843898580.db2.gz CGGZQYCANPOIJO-OAQYLSRUSA-N 1 1 398.438 3.722 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@H](c3nccn3C)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000512898325 843948806 /nfs/dbraw/zinc/94/88/06/843948806.db2.gz AEJIJITWOGBYHE-IBGZPJMESA-N 1 1 382.420 3.838 20 5 GHBDMO CCOc1cc(C[NH2+][C@@](C)(CC(=O)OC)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000513160763 844770361 /nfs/dbraw/zinc/77/03/61/844770361.db2.gz QKHHRCNKPABFDH-FQEVSTJZSA-N 1 1 390.411 3.701 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000599680648 861520031 /nfs/dbraw/zinc/52/00/31/861520031.db2.gz VLHGEMKTGRGEMU-HIFRSBDPSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000599680648 861520042 /nfs/dbraw/zinc/52/00/42/861520042.db2.gz VLHGEMKTGRGEMU-HIFRSBDPSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1cc(C[N@@H+]2CCOCC3(CCCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000614222637 845289578 /nfs/dbraw/zinc/28/95/78/845289578.db2.gz PZPNIULHADOMFL-UHFFFAOYSA-N 1 1 386.395 3.597 20 5 GHBDMO COc1cc(C[N@H+]2CCOCC3(CCCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000614222637 845289584 /nfs/dbraw/zinc/28/95/84/845289584.db2.gz PZPNIULHADOMFL-UHFFFAOYSA-N 1 1 386.395 3.597 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000509784282 845378739 /nfs/dbraw/zinc/37/87/39/845378739.db2.gz VOJYCEPBKNMSTF-IAGOWNOFSA-N 1 1 376.501 3.635 20 5 GHBDMO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000611560795 845432212 /nfs/dbraw/zinc/43/22/12/845432212.db2.gz YNKINUPJHOGRLH-GUDVDZBRSA-N 1 1 386.496 3.991 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000604012560 861573455 /nfs/dbraw/zinc/57/34/55/861573455.db2.gz PLQAOYBOBUFFOP-LJQANCHMSA-N 1 1 384.432 3.972 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000182691686 845509478 /nfs/dbraw/zinc/50/94/78/845509478.db2.gz RSXFUKJUHPLJIR-LZLYRXPVSA-N 1 1 388.512 3.916 20 5 GHBDMO C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182922674 845596305 /nfs/dbraw/zinc/59/63/05/845596305.db2.gz HKNDROCWGDHEAL-CVEARBPZSA-N 1 1 388.512 3.782 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)ccn1 ZINC000856533831 881341058 /nfs/dbraw/zinc/34/10/58/881341058.db2.gz OVSWQVMLXVGUFD-QGZVFWFLSA-N 1 1 390.871 3.753 20 5 GHBDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000421390604 846206556 /nfs/dbraw/zinc/20/65/56/846206556.db2.gz OGFQFIBRGHGRLN-INIZCTEOSA-N 1 1 389.839 3.751 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000513691891 846369226 /nfs/dbraw/zinc/36/92/26/846369226.db2.gz XHURBXGEXKRNMR-MRXNPFEDSA-N 1 1 376.869 3.965 20 5 GHBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)COCc1ccccc1 ZINC000513703521 846519249 /nfs/dbraw/zinc/51/92/49/846519249.db2.gz WTLQXCYIXSEVIE-LAUBAEHRSA-N 1 1 394.475 3.860 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501026334 846561918 /nfs/dbraw/zinc/56/19/18/846561918.db2.gz SDFXAZRRNVUMHL-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501026334 846561922 /nfs/dbraw/zinc/56/19/22/846561922.db2.gz SDFXAZRRNVUMHL-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO O=C(CCN1CCC[N@@H+](CC2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000501080303 846623863 /nfs/dbraw/zinc/62/38/63/846623863.db2.gz WJRIWJZIXHJBAH-UHFFFAOYSA-N 1 1 388.512 3.511 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501126820 846655697 /nfs/dbraw/zinc/65/56/97/846655697.db2.gz DGCRGRUFFSYPPT-LJQANCHMSA-N 1 1 383.448 3.941 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000555728536 861706663 /nfs/dbraw/zinc/70/66/63/861706663.db2.gz VWFJMFKSRBUJES-UHFFFAOYSA-N 1 1 384.358 3.607 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3C)CC[N@H+]2C2CC2)c1 ZINC000183245992 846830254 /nfs/dbraw/zinc/83/02/54/846830254.db2.gz DHLGMJCYJFBENO-LEWJYISDSA-N 1 1 395.459 3.620 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc3ccc(Br)cn23)c(Cl)c1 ZINC000183806404 847151662 /nfs/dbraw/zinc/15/16/62/847151662.db2.gz SDODGWSFLVQLCC-UHFFFAOYSA-N 1 1 395.644 3.948 20 5 GHBDMO Cc1c(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000050050163 847341779 /nfs/dbraw/zinc/34/17/79/847341779.db2.gz JVYMHSYRUWGWPK-HNNXBMFYSA-N 1 1 388.493 3.998 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000502446972 847891871 /nfs/dbraw/zinc/89/18/71/847891871.db2.gz VBHZLZZFXZONEV-SFHVURJKSA-N 1 1 388.512 3.579 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000050628983 847943399 /nfs/dbraw/zinc/94/33/99/847943399.db2.gz WZNTYJWQNOGQLY-AWEZNQCLSA-N 1 1 388.493 3.569 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)[C@H]1c1cccs1 ZINC000611709369 848064711 /nfs/dbraw/zinc/06/47/11/848064711.db2.gz TXCVEUNPJDKERX-UGSOOPFHSA-N 1 1 383.477 3.516 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)Cc1ccsc1 ZINC000187775451 848070375 /nfs/dbraw/zinc/07/03/75/848070375.db2.gz IWULNMDFXBKBJI-AWEZNQCLSA-N 1 1 391.493 3.947 20 5 GHBDMO COc1cccc(CCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000513662723 848301433 /nfs/dbraw/zinc/30/14/33/848301433.db2.gz YZKRNWQVVZUDPU-HXUWFJFHSA-N 1 1 380.448 3.649 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@]3(CO)CCc4ccccc43)cs2)c1 ZINC000135880295 848742225 /nfs/dbraw/zinc/74/22/25/848742225.db2.gz SFVXNTAENVULMT-FQEVSTJZSA-N 1 1 381.457 3.642 20 5 GHBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000434898288 849879500 /nfs/dbraw/zinc/87/95/00/849879500.db2.gz UOYNHSAUSHBJMU-MAUKXSAKSA-N 1 1 381.432 3.771 20 5 GHBDMO COc1cc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])cc1OC ZINC000506639078 850232073 /nfs/dbraw/zinc/23/20/73/850232073.db2.gz HCMLTFGFWMVWDQ-UHFFFAOYSA-N 1 1 394.431 3.778 20 5 GHBDMO COc1cc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])cc1OC ZINC000506639078 850232087 /nfs/dbraw/zinc/23/20/87/850232087.db2.gz HCMLTFGFWMVWDQ-UHFFFAOYSA-N 1 1 394.431 3.778 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426519459 850540210 /nfs/dbraw/zinc/54/02/10/850540210.db2.gz AHWVKGOHUBOYAA-QFIPXVFZSA-N 1 1 398.459 3.529 20 5 GHBDMO COCCOc1ccccc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487213378 850566154 /nfs/dbraw/zinc/56/61/54/850566154.db2.gz XVWOZYJKNXABGQ-UHFFFAOYSA-N 1 1 384.354 3.929 20 5 GHBDMO CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487253075 850622224 /nfs/dbraw/zinc/62/22/24/850622224.db2.gz UDDGSEOXFJELAG-QFBILLFUSA-N 1 1 397.475 3.634 20 5 GHBDMO CCC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000246455415 850762182 /nfs/dbraw/zinc/76/21/82/850762182.db2.gz PMRCRNRCKCJVBE-PWRODBHTSA-N 1 1 375.513 3.794 20 5 GHBDMO C[N@@H+]1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000425443237 851095396 /nfs/dbraw/zinc/09/53/96/851095396.db2.gz LIEUMRUULCNXPL-FUHWJXTLSA-N 1 1 390.281 3.892 20 5 GHBDMO C[N@H+]1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000425443237 851095405 /nfs/dbraw/zinc/09/54/05/851095405.db2.gz LIEUMRUULCNXPL-FUHWJXTLSA-N 1 1 390.281 3.892 20 5 GHBDMO CC[N@@H+](CCc1cccs1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000488365501 851433576 /nfs/dbraw/zinc/43/35/76/851433576.db2.gz YIZAKDTVORNQCW-CYBMUJFWSA-N 1 1 377.466 3.557 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CC2([S@@](C)=O)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000436301538 851437785 /nfs/dbraw/zinc/43/77/85/851437785.db2.gz ZPUYKWCGGCVSNV-WXTAPIANSA-N 1 1 376.478 3.730 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CC2([S@@](C)=O)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000436301536 851437800 /nfs/dbraw/zinc/43/78/00/851437800.db2.gz ZPUYKWCGGCVSNV-HFJWLAOPSA-N 1 1 376.478 3.730 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000488398573 851467676 /nfs/dbraw/zinc/46/76/76/851467676.db2.gz QJEHBVPGAVZKGL-CYBMUJFWSA-N 1 1 391.269 3.636 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000488472462 851542935 /nfs/dbraw/zinc/54/29/35/851542935.db2.gz UXRFMNGJXATKHR-BEFAXECRSA-N 1 1 393.443 3.981 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481788851 862261096 /nfs/dbraw/zinc/26/10/96/862261096.db2.gz VITKFFIGJHXSKM-SFHVURJKSA-N 1 1 388.851 3.777 20 5 GHBDMO CSc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000604509872 862266028 /nfs/dbraw/zinc/26/60/28/862266028.db2.gz MDDRUDKRSOZSNW-UHFFFAOYSA-N 1 1 382.445 3.741 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000438124948 852047793 /nfs/dbraw/zinc/04/77/93/852047793.db2.gz HAIBJNDLZIOBPI-UHFFFAOYSA-N 1 1 397.475 3.602 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000843757217 852061785 /nfs/dbraw/zinc/06/17/85/852061785.db2.gz ZLIVIETZAXQHIF-MRXNPFEDSA-N 1 1 379.819 3.728 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000505855240 852140247 /nfs/dbraw/zinc/14/02/47/852140247.db2.gz BPDFRPONBZALOE-DLBZAZTESA-N 1 1 383.448 3.631 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000505855240 852140251 /nfs/dbraw/zinc/14/02/51/852140251.db2.gz BPDFRPONBZALOE-DLBZAZTESA-N 1 1 383.448 3.631 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000150801892 852406836 /nfs/dbraw/zinc/40/68/36/852406836.db2.gz MCKIIUXIODKGAQ-ZIAGYGMSSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000150801892 852406843 /nfs/dbraw/zinc/40/68/43/852406843.db2.gz MCKIIUXIODKGAQ-ZIAGYGMSSA-N 1 1 381.448 3.859 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000732568244 862360748 /nfs/dbraw/zinc/36/07/48/862360748.db2.gz MAWHLIZNARSNHJ-JTQLQIEISA-N 1 1 376.335 3.664 20 5 GHBDMO Cc1c(CC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000133030770 862368618 /nfs/dbraw/zinc/36/86/18/862368618.db2.gz RJDCYQJBGKTORC-QGZVFWFLSA-N 1 1 387.524 3.949 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000427098917 852717699 /nfs/dbraw/zinc/71/76/99/852717699.db2.gz DASAWMHXDHCPJP-MRXNPFEDSA-N 1 1 389.496 3.720 20 5 GHBDMO COCC[N@@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506005446 852920983 /nfs/dbraw/zinc/92/09/83/852920983.db2.gz WQEKPLSPNHNVOZ-UHFFFAOYSA-N 1 1 386.477 3.705 20 5 GHBDMO Cc1cc(F)cc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000151044791 852988746 /nfs/dbraw/zinc/98/87/46/852988746.db2.gz XQTLXPONLKZSRX-QGZVFWFLSA-N 1 1 385.439 3.636 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1OC(F)F ZINC000509584609 853013228 /nfs/dbraw/zinc/01/32/28/853013228.db2.gz RYDMDVWECZIZCC-LLVKDONJSA-N 1 1 380.347 3.914 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)COCc2ccccc2Cl)C2CC2)c1 ZINC000490435306 853028744 /nfs/dbraw/zinc/02/87/44/853028744.db2.gz IXSSWARFKZGDOU-IBGZPJMESA-N 1 1 390.867 3.790 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000843762332 853080177 /nfs/dbraw/zinc/08/01/77/853080177.db2.gz XGIGLCSZQMZKIY-UHFFFAOYSA-N 1 1 389.402 3.530 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000843762332 853080184 /nfs/dbraw/zinc/08/01/84/853080184.db2.gz XGIGLCSZQMZKIY-UHFFFAOYSA-N 1 1 389.402 3.530 20 5 GHBDMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000518245030 853103198 /nfs/dbraw/zinc/10/31/98/853103198.db2.gz PXHFHDRVSRJQNH-UHFFFAOYSA-N 1 1 397.262 3.624 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490760561 853257644 /nfs/dbraw/zinc/25/76/44/853257644.db2.gz UJQPZPZNMHUQNG-WBVHZDCISA-N 1 1 398.463 3.636 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843763541 853277666 /nfs/dbraw/zinc/27/76/66/853277666.db2.gz BYTZVGOPVZOLLV-UHFFFAOYSA-N 1 1 385.439 3.699 20 5 GHBDMO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184403465 853293562 /nfs/dbraw/zinc/29/35/62/853293562.db2.gz GLISCXUYKHRUAN-UHFFFAOYSA-N 1 1 395.475 3.603 20 5 GHBDMO CC[N@@H+]1CCc2nc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])sc2C1 ZINC000439212998 853429126 /nfs/dbraw/zinc/42/91/26/853429126.db2.gz QLNZFUTYTBHLOL-UHFFFAOYSA-N 1 1 380.857 3.643 20 5 GHBDMO CC[N@H+]1CCc2nc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])sc2C1 ZINC000439212998 853429136 /nfs/dbraw/zinc/42/91/36/853429136.db2.gz QLNZFUTYTBHLOL-UHFFFAOYSA-N 1 1 380.857 3.643 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCc4cc[nH]c(=O)c4C3)o2)c([N+](=O)[O-])c1 ZINC000426382520 853655360 /nfs/dbraw/zinc/65/53/60/853655360.db2.gz RWQRULGALINXQW-UHFFFAOYSA-N 1 1 381.388 3.522 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C1CC1 ZINC000543539310 862600678 /nfs/dbraw/zinc/60/06/78/862600678.db2.gz HXFMTNMXUTUEEZ-UHFFFAOYSA-N 1 1 377.510 3.701 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000589254060 854761677 /nfs/dbraw/zinc/76/16/77/854761677.db2.gz VWGNUZHULWHEJQ-GFCCVEGCSA-N 1 1 398.200 3.782 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000589254060 854761678 /nfs/dbraw/zinc/76/16/78/854761678.db2.gz VWGNUZHULWHEJQ-GFCCVEGCSA-N 1 1 398.200 3.782 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)Cc1ccc3ccccc3c1)CCO2 ZINC000589304703 854774481 /nfs/dbraw/zinc/77/44/81/854774481.db2.gz MHLYBRKJIVQLOS-NRFANRHFSA-N 1 1 378.428 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)Cc1ccc3ccccc3c1)CCO2 ZINC000589304703 854774485 /nfs/dbraw/zinc/77/44/85/854774485.db2.gz MHLYBRKJIVQLOS-NRFANRHFSA-N 1 1 378.428 3.546 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC[N@H+]2C2CC2)c1 ZINC000482048389 862639874 /nfs/dbraw/zinc/63/98/74/862639874.db2.gz YJYZRRSLBFFCQE-PZJWPPBQSA-N 1 1 395.459 3.620 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)C[C@H](C)O1 ZINC000301549117 855237826 /nfs/dbraw/zinc/23/78/26/855237826.db2.gz LWDANFVJFNOGDZ-CALCHBBNSA-N 1 1 398.507 3.859 20 5 GHBDMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590156445 855302616 /nfs/dbraw/zinc/30/26/16/855302616.db2.gz NOUCTFBZRJHRFJ-ZDUSSCGKSA-N 1 1 387.402 3.742 20 5 GHBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590156445 855302618 /nfs/dbraw/zinc/30/26/18/855302618.db2.gz NOUCTFBZRJHRFJ-ZDUSSCGKSA-N 1 1 387.402 3.742 20 5 GHBDMO Cc1cc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590132567 855308377 /nfs/dbraw/zinc/30/83/77/855308377.db2.gz MTBYIKHVPVJSTJ-CQSZACIVSA-N 1 1 387.402 3.613 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCc4nc[nH]c4C34CCOCC4)o2)c1 ZINC000895070269 855351654 /nfs/dbraw/zinc/35/16/54/855351654.db2.gz DDHNOAGOKVKIOT-UHFFFAOYSA-N 1 1 394.431 3.642 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCc4nc[nH]c4C34CCOCC4)o2)c1 ZINC000895070269 855351662 /nfs/dbraw/zinc/35/16/62/855351662.db2.gz DDHNOAGOKVKIOT-UHFFFAOYSA-N 1 1 394.431 3.642 20 5 GHBDMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590422666 855401559 /nfs/dbraw/zinc/40/15/59/855401559.db2.gz DAZPLQNBOUGIQP-YLJYHZDGSA-N 1 1 381.476 3.727 20 5 GHBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)C2)C1 ZINC000590456416 855407520 /nfs/dbraw/zinc/40/75/20/855407520.db2.gz RYTBZQIEPLOMKI-FQEVSTJZSA-N 1 1 389.521 3.797 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542714083 855527411 /nfs/dbraw/zinc/52/74/11/855527411.db2.gz PCRPCCYYVXWFOL-LSDHHAIUSA-N 1 1 386.427 3.861 20 5 GHBDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000573089281 855860311 /nfs/dbraw/zinc/86/03/11/855860311.db2.gz BCVNPZCLCIRTER-INIZCTEOSA-N 1 1 391.855 3.997 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000843776553 856060600 /nfs/dbraw/zinc/06/06/00/856060600.db2.gz PJFXNAYSKNVKPW-UHFFFAOYSA-N 1 1 397.450 3.705 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H]1CC=CCC1 ZINC000485113831 856111654 /nfs/dbraw/zinc/11/16/54/856111654.db2.gz PREMTTTUHZUDBN-KRWDZBQOSA-N 1 1 375.469 3.537 20 5 GHBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172497193 856456928 /nfs/dbraw/zinc/45/69/28/856456928.db2.gz QDYOMASWYKUOMU-UHFFFAOYSA-N 1 1 388.512 3.577 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C(=O)OC(C)(C)C ZINC000592135609 856698432 /nfs/dbraw/zinc/69/84/32/856698432.db2.gz OLBWHJHXKQZJLW-GXTWGEPZSA-N 1 1 375.425 3.536 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C(=O)OC(C)(C)C ZINC000592135609 856698434 /nfs/dbraw/zinc/69/84/34/856698434.db2.gz OLBWHJHXKQZJLW-GXTWGEPZSA-N 1 1 375.425 3.536 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000733299309 862844815 /nfs/dbraw/zinc/84/48/15/862844815.db2.gz NGKMHYIARRCVMU-OAQYLSRUSA-N 1 1 377.448 3.865 20 5 GHBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000245543470 856947663 /nfs/dbraw/zinc/94/76/63/856947663.db2.gz KTKGYEUBMIORGN-FPOVZHCZSA-N 1 1 395.459 3.620 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)nc1 ZINC000173468604 856948675 /nfs/dbraw/zinc/94/86/75/856948675.db2.gz XRDYUZVIDMCMMT-HNNXBMFYSA-N 1 1 399.451 3.939 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)nc1 ZINC000173468604 856948678 /nfs/dbraw/zinc/94/86/78/856948678.db2.gz XRDYUZVIDMCMMT-HNNXBMFYSA-N 1 1 399.451 3.939 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058539928 857012902 /nfs/dbraw/zinc/01/29/02/857012902.db2.gz BBUYRRWYEDMMRK-SFHVURJKSA-N 1 1 393.447 3.527 20 5 GHBDMO CCOc1cc2c(cc1OCC)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000058563450 857054837 /nfs/dbraw/zinc/05/48/37/857054837.db2.gz FOAGLGRJYFXRBX-UHFFFAOYSA-N 1 1 386.448 3.829 20 5 GHBDMO CCOc1cc2c(cc1OCC)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000058563450 857054850 /nfs/dbraw/zinc/05/48/50/857054850.db2.gz FOAGLGRJYFXRBX-UHFFFAOYSA-N 1 1 386.448 3.829 20 5 GHBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173868381 857170428 /nfs/dbraw/zinc/17/04/28/857170428.db2.gz KXYLNXQCGXHIKH-DZGCQCFKSA-N 1 1 381.498 3.538 20 5 GHBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000173902528 857179018 /nfs/dbraw/zinc/17/90/18/857179018.db2.gz YZWVIPRSVWJALX-HXUWFJFHSA-N 1 1 383.448 3.864 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000174042461 857202398 /nfs/dbraw/zinc/20/23/98/857202398.db2.gz VCCCLWIBFXAYHX-PBHICJAKSA-N 1 1 387.436 3.998 20 5 GHBDMO C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1Cc1ccccc1 ZINC000174434421 857301507 /nfs/dbraw/zinc/30/15/07/857301507.db2.gz SCMRWWKBHSJIFJ-QGZVFWFLSA-N 1 1 397.475 3.558 20 5 GHBDMO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000593078406 857340931 /nfs/dbraw/zinc/34/09/31/857340931.db2.gz YMHJPBYUVUNZGH-DOMZBBRYSA-N 1 1 397.435 3.697 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246330574 857348517 /nfs/dbraw/zinc/34/85/17/857348517.db2.gz IAPHVSGBOIYVTA-MSOLQXFVSA-N 1 1 388.512 3.510 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(Cc3cc([N+](=O)[O-])ccc3OC)CC2)s1 ZINC000520894403 857353837 /nfs/dbraw/zinc/35/38/37/857353837.db2.gz HPWAWTHXTPJGGV-UHFFFAOYSA-N 1 1 375.494 3.545 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174932590 857409135 /nfs/dbraw/zinc/40/91/35/857409135.db2.gz TUBAMAYENABQAJ-QGZVFWFLSA-N 1 1 399.516 3.911 20 5 GHBDMO CC[NH+](CC)Cc1ccccc1CN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000042640615 857416844 /nfs/dbraw/zinc/41/68/44/857416844.db2.gz GVPMZBZHXRMFJM-QGZVFWFLSA-N 1 1 398.507 3.862 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1cc2ccccc2o1 ZINC000175189842 857459697 /nfs/dbraw/zinc/45/96/97/857459697.db2.gz JGVPSHXVBKYYGP-ZDUSSCGKSA-N 1 1 383.404 3.809 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175189842 857459707 /nfs/dbraw/zinc/45/97/07/857459707.db2.gz JGVPSHXVBKYYGP-ZDUSSCGKSA-N 1 1 383.404 3.809 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000301738215 857466148 /nfs/dbraw/zinc/46/61/48/857466148.db2.gz IUZGZOIFILPRNF-UHFFFAOYSA-N 1 1 382.798 3.998 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000255236707 857610659 /nfs/dbraw/zinc/61/06/59/857610659.db2.gz LMSLTNKXDHLWOA-IKPBFSQCSA-N 1 1 379.460 3.750 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000113934637 857795412 /nfs/dbraw/zinc/79/54/12/857795412.db2.gz IAPHVSGBOIYVTA-ZWKOTPCHSA-N 1 1 388.512 3.510 20 5 GHBDMO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1nc(-c2ccccc2)c[nH]1 ZINC000129139895 857801413 /nfs/dbraw/zinc/80/14/13/857801413.db2.gz WUSLSOIGRLMBHG-UHFFFAOYSA-N 1 1 397.410 3.585 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1nc(-c2ccccc2)c[nH]1 ZINC000129139895 857801427 /nfs/dbraw/zinc/80/14/27/857801427.db2.gz WUSLSOIGRLMBHG-UHFFFAOYSA-N 1 1 397.410 3.585 20 5 GHBDMO Cc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000486580872 857867188 /nfs/dbraw/zinc/86/71/88/857867188.db2.gz QQFBNWKXWINNSE-UHFFFAOYSA-N 1 1 382.445 3.681 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000524866570 857934192 /nfs/dbraw/zinc/93/41/92/857934192.db2.gz DFIBQHILWXYNLA-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCO)[C@@H]3CCc4ccccc43)o2)c1 ZINC000114466949 858049353 /nfs/dbraw/zinc/04/93/53/858049353.db2.gz CFDOUKHAHKCNLE-HXUWFJFHSA-N 1 1 393.443 3.774 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000157988584 858068043 /nfs/dbraw/zinc/06/80/43/858068043.db2.gz HBNZCFUGGPSDRU-CVEARBPZSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000157988584 858068052 /nfs/dbraw/zinc/06/80/52/858068052.db2.gz HBNZCFUGGPSDRU-CVEARBPZSA-N 1 1 383.448 3.728 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001127162972 858174525 /nfs/dbraw/zinc/17/45/25/858174525.db2.gz RUZRWKLWBQDXAV-GJZGRUSLSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001127162972 858174533 /nfs/dbraw/zinc/17/45/33/858174533.db2.gz RUZRWKLWBQDXAV-GJZGRUSLSA-N 1 1 387.867 3.983 20 5 GHBDMO Cc1[nH+]cn(CCCCc2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)c1C ZINC000594534705 858213421 /nfs/dbraw/zinc/21/34/21/858213421.db2.gz NUVPNPKGIGGFCP-UHFFFAOYSA-N 1 1 391.378 3.954 20 5 GHBDMO COc1cc(-c2nc(CCCCn3c[nH+]c(C)c3C)no2)cc([N+](=O)[O-])c1C ZINC000594534710 858213664 /nfs/dbraw/zinc/21/36/64/858213664.db2.gz NYKKOLRHDXHSRL-UHFFFAOYSA-N 1 1 385.424 3.798 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]Cc3c(C4CC4)cnn3C)o2)c([N+](=O)[O-])c1 ZINC000594988134 858358858 /nfs/dbraw/zinc/35/88/58/858358858.db2.gz ZIMQLSVKYOQCTD-UHFFFAOYSA-N 1 1 382.420 3.764 20 5 GHBDMO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)n1 ZINC000543104293 858391847 /nfs/dbraw/zinc/39/18/47/858391847.db2.gz INPIDPGAWAEHST-UHFFFAOYSA-N 1 1 393.447 3.584 20 5 GHBDMO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000301877450 858460513 /nfs/dbraw/zinc/46/05/13/858460513.db2.gz HCTHYDPJITVKCU-RDJZCZTQSA-N 1 1 378.335 3.639 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000301877450 858460518 /nfs/dbraw/zinc/46/05/18/858460518.db2.gz HCTHYDPJITVKCU-RDJZCZTQSA-N 1 1 378.335 3.639 20 5 GHBDMO Cc1nn(C)c(NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301871681 858469636 /nfs/dbraw/zinc/46/96/36/858469636.db2.gz IXZAADHNBBGMMA-MLGOLLRUSA-N 1 1 381.839 3.534 20 5 GHBDMO Cc1nn(C)c(NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301871681 858469642 /nfs/dbraw/zinc/46/96/42/858469642.db2.gz IXZAADHNBBGMMA-MLGOLLRUSA-N 1 1 381.839 3.534 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](N4CCOCC4)CC3)o2)c1 ZINC000522013623 858526626 /nfs/dbraw/zinc/52/66/26/858526626.db2.gz KNYULZWVLPAIAP-GOSISDBHSA-N 1 1 385.464 3.542 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595544166 858561445 /nfs/dbraw/zinc/56/14/45/858561445.db2.gz MUNGBVNLFPGDCA-VQIMIIECSA-N 1 1 382.464 3.538 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000543140651 858587155 /nfs/dbraw/zinc/58/71/55/858587155.db2.gz YNJXARJLXVSCJY-QAPCUYQASA-N 1 1 392.402 3.840 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000543140651 858587160 /nfs/dbraw/zinc/58/71/60/858587160.db2.gz YNJXARJLXVSCJY-QAPCUYQASA-N 1 1 392.402 3.840 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595790385 858688917 /nfs/dbraw/zinc/68/89/17/858688917.db2.gz PKAXVLZJHRNZJY-LPHOPBHVSA-N 1 1 375.469 3.513 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595833893 858703414 /nfs/dbraw/zinc/70/34/14/858703414.db2.gz SSEYMGOSLOACPG-OPYAIIAOSA-N 1 1 395.459 3.551 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595833893 858703419 /nfs/dbraw/zinc/70/34/19/858703419.db2.gz SSEYMGOSLOACPG-OPYAIIAOSA-N 1 1 395.459 3.551 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000595913238 858718281 /nfs/dbraw/zinc/71/82/81/858718281.db2.gz FQQDCIFPGJYCJE-JSGCOSHPSA-N 1 1 375.450 3.779 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCC[N@@H+](CC4CC4)C3)cs2)c1 ZINC000596058712 858760169 /nfs/dbraw/zinc/76/01/69/858760169.db2.gz IFDBPZIMHKJYOM-INIZCTEOSA-N 1 1 386.521 3.930 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3c4ccccc4CC[C@H]3O)cs2)c1 ZINC000922988219 858921024 /nfs/dbraw/zinc/92/10/24/858921024.db2.gz NTDYKOVRUOTKRT-MOPGFXCFSA-N 1 1 381.457 3.856 20 5 GHBDMO Cc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)cc1[N+](=O)[O-] ZINC000596613879 858968621 /nfs/dbraw/zinc/96/86/21/858968621.db2.gz MZZCHUGHDCSEIF-DNVCBOLYSA-N 1 1 394.431 3.915 20 5 GHBDMO Cc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)cc1[N+](=O)[O-] ZINC000596613879 858968634 /nfs/dbraw/zinc/96/86/34/858968634.db2.gz MZZCHUGHDCSEIF-DNVCBOLYSA-N 1 1 394.431 3.915 20 5 GHBDMO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466308800 859074107 /nfs/dbraw/zinc/07/41/07/859074107.db2.gz STDVRIZWMXAMLB-CYBMUJFWSA-N 1 1 398.410 3.582 20 5 GHBDMO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617711242 859125834 /nfs/dbraw/zinc/12/58/34/859125834.db2.gz OYLVBUZTTAAYJY-MJGOQNOKSA-N 1 1 381.476 3.727 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483110669 859156135 /nfs/dbraw/zinc/15/61/35/859156135.db2.gz CHKVGCJGTZHHML-OAHLLOKOSA-N 1 1 387.411 3.561 20 5 GHBDMO CC[N@@H+](CCCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000593248974 859208830 /nfs/dbraw/zinc/20/88/30/859208830.db2.gz DLZXTBBBYAPFKF-UHFFFAOYSA-N 1 1 381.448 3.517 20 5 GHBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000483408621 859343141 /nfs/dbraw/zinc/34/31/41/859343141.db2.gz PHYWHFOQOACTJE-OAQYLSRUSA-N 1 1 399.422 3.696 20 5 GHBDMO COCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000483409295 859344686 /nfs/dbraw/zinc/34/46/86/859344686.db2.gz ARCBBCKQJORWPW-OCCSQVGLSA-N 1 1 388.411 3.842 20 5 GHBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483410893 859346028 /nfs/dbraw/zinc/34/60/28/859346028.db2.gz CDISIGANESVAFO-CQSZACIVSA-N 1 1 397.397 3.728 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)s1 ZINC000597253141 859398861 /nfs/dbraw/zinc/39/88/61/859398861.db2.gz KGOVNURPWNXRQX-CQSZACIVSA-N 1 1 375.450 3.526 20 5 GHBDMO C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000428720687 859468301 /nfs/dbraw/zinc/46/83/01/859468301.db2.gz LILFYKSLBJPTGB-MRXNPFEDSA-N 1 1 379.460 3.533 20 5 GHBDMO C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000428720687 859468309 /nfs/dbraw/zinc/46/83/09/859468309.db2.gz LILFYKSLBJPTGB-MRXNPFEDSA-N 1 1 379.460 3.533 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC000856559749 881438277 /nfs/dbraw/zinc/43/82/77/881438277.db2.gz HWRBGOZJKNBCFR-SFHVURJKSA-N 1 1 390.509 3.545 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000611171371 859633374 /nfs/dbraw/zinc/63/33/74/859633374.db2.gz DHZBLNKXIXNUBI-OAQYLSRUSA-N 1 1 392.459 3.956 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611212156 859646357 /nfs/dbraw/zinc/64/63/57/859646357.db2.gz VODSLUFAKLYMDV-FZKQIMNGSA-N 1 1 389.521 3.842 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[N@@H+](C[C@@H]4CCCO4)CC3)o2)c1 ZINC000611254068 859664736 /nfs/dbraw/zinc/66/47/36/859664736.db2.gz MQVUEDVSLHNYIL-IBGZPJMESA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCCN(C[C@@H]4CCCO4)CC3)o2)c1 ZINC000611254068 859664742 /nfs/dbraw/zinc/66/47/42/859664742.db2.gz MQVUEDVSLHNYIL-IBGZPJMESA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCCN(C[C@@H]4CCCO4)CC3)o2)c1 ZINC000611254068 859664746 /nfs/dbraw/zinc/66/47/46/859664746.db2.gz MQVUEDVSLHNYIL-IBGZPJMESA-N 1 1 385.464 3.542 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000765030934 859739593 /nfs/dbraw/zinc/73/95/93/859739593.db2.gz UBJXLNZOJOULOA-IBGZPJMESA-N 1 1 379.432 3.567 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000765030934 859739602 /nfs/dbraw/zinc/73/96/02/859739602.db2.gz UBJXLNZOJOULOA-IBGZPJMESA-N 1 1 379.432 3.567 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765033052 859740682 /nfs/dbraw/zinc/74/06/82/859740682.db2.gz OBAMMEWKOJLUIC-FOIQADDNSA-N 1 1 375.469 3.989 20 5 GHBDMO Cc1c(CNC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000484105578 859807901 /nfs/dbraw/zinc/80/79/01/859807901.db2.gz CLYGAVWBOUWNHJ-INIZCTEOSA-N 1 1 398.463 3.618 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170345743 881469414 /nfs/dbraw/zinc/46/94/14/881469414.db2.gz LKHMIKLGESYLAI-GDBMZVCRSA-N 1 1 378.469 3.588 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597859909 859876815 /nfs/dbraw/zinc/87/68/15/859876815.db2.gz HVDYKJGFZBVJHB-AWEZNQCLSA-N 1 1 379.526 3.946 20 5 GHBDMO CC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000474379419 859965058 /nfs/dbraw/zinc/96/50/58/859965058.db2.gz QRXOMMRZQLKPLP-INIZCTEOSA-N 1 1 394.374 3.666 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154298535 860053235 /nfs/dbraw/zinc/05/32/35/860053235.db2.gz XFKLKYVEJUIDCC-QGZVFWFLSA-N 1 1 390.443 3.537 20 5 GHBDMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000154297717 860053665 /nfs/dbraw/zinc/05/36/65/860053665.db2.gz HYFVQDZFNYORDM-OAHLLOKOSA-N 1 1 384.432 3.700 20 5 GHBDMO O=[N+]([O-])c1c(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc2ccccn21 ZINC000765547010 860130345 /nfs/dbraw/zinc/13/03/45/860130345.db2.gz XTDBCZSTSLZTHI-RBUKOAKNSA-N 1 1 391.475 3.733 20 5 GHBDMO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602592609 860132884 /nfs/dbraw/zinc/13/28/84/860132884.db2.gz IKUSFSSRBIEMLO-UHFFFAOYSA-N 1 1 381.354 3.959 20 5 GHBDMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123929483 860152482 /nfs/dbraw/zinc/15/24/82/860152482.db2.gz PTJNXBMCLADXHR-ZBEGNZNMSA-N 1 1 397.859 3.872 20 5 GHBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123929483 860152487 /nfs/dbraw/zinc/15/24/87/860152487.db2.gz PTJNXBMCLADXHR-ZBEGNZNMSA-N 1 1 397.859 3.872 20 5 GHBDMO COc1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000093336867 860252123 /nfs/dbraw/zinc/25/21/23/860252123.db2.gz SFGXPFXUHQYNLP-SFHVURJKSA-N 1 1 399.491 3.566 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000474536733 860310487 /nfs/dbraw/zinc/31/04/87/860310487.db2.gz UVUIJIJTWMKLKI-YWZLYKJASA-N 1 1 385.439 3.966 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000474536733 860310492 /nfs/dbraw/zinc/31/04/92/860310492.db2.gz UVUIJIJTWMKLKI-YWZLYKJASA-N 1 1 385.439 3.966 20 5 GHBDMO COc1cc(C[NH+]2CCC(OCC3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000093818318 860355276 /nfs/dbraw/zinc/35/52/76/860355276.db2.gz WNKISZPENSYVRR-UHFFFAOYSA-N 1 1 378.469 3.783 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000330475410 860513451 /nfs/dbraw/zinc/51/34/51/860513451.db2.gz STYPAWCBXSQYIH-CYBMUJFWSA-N 1 1 398.301 3.612 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000603220649 860550303 /nfs/dbraw/zinc/55/03/03/860550303.db2.gz ZQXVTCALYRZEBO-SFHVURJKSA-N 1 1 383.839 3.665 20 5 GHBDMO COc1cc(C[N@H+](C)CCn2cccn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000125324853 860638611 /nfs/dbraw/zinc/63/86/11/860638611.db2.gz TUFLXPVBAFKROX-UHFFFAOYSA-N 1 1 396.447 3.511 20 5 GHBDMO COc1cc(C[N@@H+](C)CCn2cccn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000125324853 860638616 /nfs/dbraw/zinc/63/86/16/860638616.db2.gz TUFLXPVBAFKROX-UHFFFAOYSA-N 1 1 396.447 3.511 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)c21 ZINC000509051498 860697347 /nfs/dbraw/zinc/69/73/47/860697347.db2.gz GTYVOYVPDKTIAS-UHFFFAOYSA-N 1 1 397.866 3.904 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2cccc([N+](=O)[O-])c2)CC1 ZINC000509080976 860868419 /nfs/dbraw/zinc/86/84/19/860868419.db2.gz JAQLZQKHRSASKH-MRXNPFEDSA-N 1 1 385.489 3.592 20 5 GHBDMO CCC1([NH+]2CCOCC2)CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000599183481 860886031 /nfs/dbraw/zinc/88/60/31/860886031.db2.gz PDZSNBSAAPHDBT-UHFFFAOYSA-N 1 1 384.480 3.533 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000249112278 863144868 /nfs/dbraw/zinc/14/48/68/863144868.db2.gz CGUPRVJEROSHSK-WMLDXEAASA-N 1 1 385.489 3.567 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000733754365 863146513 /nfs/dbraw/zinc/14/65/13/863146513.db2.gz YJVFYXPZEDKOPB-HOTGVXAUSA-N 1 1 376.526 3.878 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 ZINC000482490439 863212377 /nfs/dbraw/zinc/21/23/77/863212377.db2.gz PJZOPUVPUWEIPG-NRFANRHFSA-N 1 1 392.459 3.717 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192817922 863992541 /nfs/dbraw/zinc/99/25/41/863992541.db2.gz PEHAIYNFEFASAL-UHFFFAOYSA-N 1 1 399.422 3.860 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000609204289 881723173 /nfs/dbraw/zinc/72/31/73/881723173.db2.gz DCOXAKJJNFSDCB-UHFFFAOYSA-N 1 1 398.463 3.732 20 5 GHBDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172905114 864105068 /nfs/dbraw/zinc/10/50/68/864105068.db2.gz DCZQPHKYNICZLB-YOEHRIQHSA-N 1 1 381.411 3.828 20 5 GHBDMO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CCO2 ZINC000475292932 864704888 /nfs/dbraw/zinc/70/48/88/864704888.db2.gz VIAOADNUFLBOBM-YJYMSZOUSA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CCO2 ZINC000475292932 864704899 /nfs/dbraw/zinc/70/48/99/864704899.db2.gz VIAOADNUFLBOBM-YJYMSZOUSA-N 1 1 392.839 3.888 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@H](CSc4ccccc4)C3)n2)c1 ZINC000173402943 864714997 /nfs/dbraw/zinc/71/49/97/864714997.db2.gz VIYQSZSXMCXLIK-INIZCTEOSA-N 1 1 395.488 3.925 20 5 GHBDMO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475322806 864801345 /nfs/dbraw/zinc/80/13/45/864801345.db2.gz SLELYZKRASLZSS-SFHVURJKSA-N 1 1 379.416 3.688 20 5 GHBDMO CN(C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)C(=O)OC(C)(C)C ZINC000735492068 864827145 /nfs/dbraw/zinc/82/71/45/864827145.db2.gz NHPIFSXYEOEXJK-CYBMUJFWSA-N 1 1 383.876 3.937 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)C(=O)OC(C)(C)C ZINC000735492068 864827160 /nfs/dbraw/zinc/82/71/60/864827160.db2.gz NHPIFSXYEOEXJK-CYBMUJFWSA-N 1 1 383.876 3.937 20 5 GHBDMO COc1ccc([C@H]2[C@H](COC(=O)c3cc([N+](=O)[O-])ccc3C)CC[N@H+]2C)cc1 ZINC000735902256 865042510 /nfs/dbraw/zinc/04/25/10/865042510.db2.gz DEOMUYHLHCEHHF-JXFKEZNVSA-N 1 1 384.432 3.762 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000554875213 865075453 /nfs/dbraw/zinc/07/54/53/865075453.db2.gz VPJXEQWGTVYYBM-INIZCTEOSA-N 1 1 381.432 3.618 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H](O)c1ccc(C)cc1 ZINC000173832822 865095180 /nfs/dbraw/zinc/09/51/80/865095180.db2.gz VRLJHLWYEVVHCW-FQEVSTJZSA-N 1 1 385.464 3.596 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H](O)c1ccc(C)cc1 ZINC000173834651 865145958 /nfs/dbraw/zinc/14/59/58/865145958.db2.gz QNGQFGCGDYMQQK-GOSISDBHSA-N 1 1 382.420 3.509 20 5 GHBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H](O)c1ccc(C)cc1 ZINC000173834651 865145966 /nfs/dbraw/zinc/14/59/66/865145966.db2.gz QNGQFGCGDYMQQK-GOSISDBHSA-N 1 1 382.420 3.509 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)cc1F ZINC000063659488 865149420 /nfs/dbraw/zinc/14/94/20/865149420.db2.gz LLFCGNFYLHTQSM-UHFFFAOYSA-N 1 1 393.378 3.639 20 5 GHBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000736593254 865245975 /nfs/dbraw/zinc/24/59/75/865245975.db2.gz FBUSNMYTFWWDBA-PBHICJAKSA-N 1 1 381.411 3.828 20 5 GHBDMO Cc1cccc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000523095312 866101055 /nfs/dbraw/zinc/10/10/55/866101055.db2.gz SOFCQXFXDHJWIK-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1cccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000523095312 866101072 /nfs/dbraw/zinc/10/10/72/866101072.db2.gz SOFCQXFXDHJWIK-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO C[C@H](OC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741017625 866177836 /nfs/dbraw/zinc/17/78/36/866177836.db2.gz CZKZVZSVPBIOIC-MQYQWHSLSA-N 1 1 388.424 3.510 20 5 GHBDMO C[C@H]1C[C@@H](N(C)c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000737414463 866212701 /nfs/dbraw/zinc/21/27/01/866212701.db2.gz ZGDVCJHTHOEWHI-WMZOPIPTSA-N 1 1 379.464 3.732 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000475553722 866263658 /nfs/dbraw/zinc/26/36/58/866263658.db2.gz POGVLXUZFDDRGA-QGZVFWFLSA-N 1 1 388.395 3.623 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000475553722 866263665 /nfs/dbraw/zinc/26/36/65/866263665.db2.gz POGVLXUZFDDRGA-QGZVFWFLSA-N 1 1 388.395 3.623 20 5 GHBDMO COc1cc(Br)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000183475250 866768143 /nfs/dbraw/zinc/76/81/43/866768143.db2.gz LSNLMYKYXKIQCP-UHFFFAOYSA-N 1 1 395.253 3.973 20 5 GHBDMO Cc1nn(CCC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000523224252 866895041 /nfs/dbraw/zinc/89/50/41/866895041.db2.gz UKBCMEQEGLFVQS-HNNXBMFYSA-N 1 1 399.495 3.669 20 5 GHBDMO CC(C)O[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000428369222 866903722 /nfs/dbraw/zinc/90/37/22/866903722.db2.gz HZTBBKLMBYVIDW-NRFANRHFSA-N 1 1 397.475 3.519 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000440494480 866997117 /nfs/dbraw/zinc/99/71/17/866997117.db2.gz MGBZMEXCPBATTD-CQSZACIVSA-N 1 1 396.369 3.574 20 5 GHBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000444647384 867002167 /nfs/dbraw/zinc/00/21/67/867002167.db2.gz DYQJRRMTXLZZDQ-SFHVURJKSA-N 1 1 379.464 3.568 20 5 GHBDMO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000440504392 867028672 /nfs/dbraw/zinc/02/86/72/867028672.db2.gz WOHDJDMDKRUAFZ-HOCLYGCPSA-N 1 1 394.435 3.596 20 5 GHBDMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000440504392 867028688 /nfs/dbraw/zinc/02/86/88/867028688.db2.gz WOHDJDMDKRUAFZ-HOCLYGCPSA-N 1 1 394.435 3.596 20 5 GHBDMO COc1cc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])cc1F ZINC000553333966 867199530 /nfs/dbraw/zinc/19/95/30/867199530.db2.gz POGFPILWDJUUEY-OAQYLSRUSA-N 1 1 385.439 3.845 20 5 GHBDMO CC(C)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000444810186 867240967 /nfs/dbraw/zinc/24/09/67/867240967.db2.gz ZRJSEKDAIGPNPX-QGZVFWFLSA-N 1 1 378.856 3.899 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444902417 867426813 /nfs/dbraw/zinc/42/68/13/867426813.db2.gz MCYUZUPIPUOEFM-NVXWUHKLSA-N 1 1 398.463 3.636 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000523533208 867469040 /nfs/dbraw/zinc/46/90/40/867469040.db2.gz XUPWDDPNJUIIBS-CQSZACIVSA-N 1 1 398.301 3.742 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000553494420 867508270 /nfs/dbraw/zinc/50/82/70/867508270.db2.gz IOSWACOLVMUTJU-CQSZACIVSA-N 1 1 389.477 3.635 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000457098834 867690729 /nfs/dbraw/zinc/69/07/29/867690729.db2.gz UPJZXEFQAIZYIF-IBGZPJMESA-N 1 1 396.491 3.762 20 5 GHBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1n[nH]cc1Br ZINC000535064577 868023047 /nfs/dbraw/zinc/02/30/47/868023047.db2.gz MBEXJTXUYNUUEK-JTQLQIEISA-N 1 1 385.287 3.741 20 5 GHBDMO Cn1cc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535077694 868116995 /nfs/dbraw/zinc/11/69/95/868116995.db2.gz XZJGHPIPDBWWCP-MRXNPFEDSA-N 1 1 398.385 3.539 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535077694 868117004 /nfs/dbraw/zinc/11/70/04/868117004.db2.gz XZJGHPIPDBWWCP-MRXNPFEDSA-N 1 1 398.385 3.539 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000170821459 882185959 /nfs/dbraw/zinc/18/59/59/882185959.db2.gz ASZVUHKHDJAVDP-QGZVFWFLSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000170821459 882185967 /nfs/dbraw/zinc/18/59/67/882185967.db2.gz ASZVUHKHDJAVDP-QGZVFWFLSA-N 1 1 380.404 3.991 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000535361677 868625252 /nfs/dbraw/zinc/62/52/52/868625252.db2.gz FYEYJQAECNGCIH-NHCUHLMSSA-N 1 1 396.491 3.662 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000544468628 869457229 /nfs/dbraw/zinc/45/72/29/869457229.db2.gz GDSUPHDXMUBGRJ-LBPRGKRZSA-N 1 1 398.410 3.876 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000793604206 882306359 /nfs/dbraw/zinc/30/63/59/882306359.db2.gz ITUMFKSLTIAVRG-RFFSMVSESA-N 1 1 387.480 3.941 20 5 GHBDMO COc1cc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000524971747 869856464 /nfs/dbraw/zinc/85/64/64/869856464.db2.gz WQTYREKUVJFAPP-ZDUSSCGKSA-N 1 1 396.390 3.588 20 5 GHBDMO COc1cc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000524971747 869856475 /nfs/dbraw/zinc/85/64/75/869856475.db2.gz WQTYREKUVJFAPP-ZDUSSCGKSA-N 1 1 396.390 3.588 20 5 GHBDMO CCOC(=O)c1cc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000462697738 869911202 /nfs/dbraw/zinc/91/12/02/869911202.db2.gz IYXMHZSPWQMUCU-CQSZACIVSA-N 1 1 389.477 3.716 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000446488775 869922547 /nfs/dbraw/zinc/92/25/47/869922547.db2.gz QLEXYJUSSNDFEJ-HXUWFJFHSA-N 1 1 382.464 3.935 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H]1O ZINC000539897529 869984959 /nfs/dbraw/zinc/98/49/59/869984959.db2.gz BBVHUTLUYUMYLM-BZNIZROVSA-N 1 1 395.253 3.820 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000539909999 870010319 /nfs/dbraw/zinc/01/03/19/870010319.db2.gz MHOJBMYKIDMDDE-QFBILLFUSA-N 1 1 390.461 3.570 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000462756865 870035264 /nfs/dbraw/zinc/03/52/64/870035264.db2.gz VYXJDFCOMDYMDJ-XLIONFOSSA-N 1 1 399.491 3.591 20 5 GHBDMO CCOc1cc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000539970045 870132265 /nfs/dbraw/zinc/13/22/65/870132265.db2.gz PWWIKKBBGZRWIQ-MRXNPFEDSA-N 1 1 385.464 3.826 20 5 GHBDMO CCOc1cc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000539970045 870132272 /nfs/dbraw/zinc/13/22/72/870132272.db2.gz PWWIKKBBGZRWIQ-MRXNPFEDSA-N 1 1 385.464 3.826 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000462876071 870272970 /nfs/dbraw/zinc/27/29/70/870272970.db2.gz IYOUMQBBTCKKKH-BWAGFHJFSA-N 1 1 395.503 3.985 20 5 GHBDMO CNc1ccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000525286918 870291020 /nfs/dbraw/zinc/29/10/20/870291020.db2.gz FFABGSSCYRBWNP-OAHLLOKOSA-N 1 1 398.463 3.609 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1OC(F)F ZINC000462924909 870413698 /nfs/dbraw/zinc/41/36/98/870413698.db2.gz SCKXNZGQBIDFTI-MRXNPFEDSA-N 1 1 393.390 3.509 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1OC(F)F ZINC000462924909 870413707 /nfs/dbraw/zinc/41/37/07/870413707.db2.gz SCKXNZGQBIDFTI-MRXNPFEDSA-N 1 1 393.390 3.509 20 5 GHBDMO COc1cccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000195425160 882429352 /nfs/dbraw/zinc/42/93/52/882429352.db2.gz MIGJNYVALARJPO-INIZCTEOSA-N 1 1 397.475 3.765 20 5 GHBDMO CC(C)[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001169010018 871094422 /nfs/dbraw/zinc/09/44/22/871094422.db2.gz AGWKRHANCJTUKJ-RCCFBDPRSA-N 1 1 383.533 3.932 20 5 GHBDMO CC(C)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169057973 871144463 /nfs/dbraw/zinc/14/44/63/871144463.db2.gz ZVFRSXRZDWXAKA-OKZBNKHCSA-N 1 1 383.533 3.789 20 5 GHBDMO Cc1cc(NC2CCN(c3[nH+]ccn3C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461941637 871327514 /nfs/dbraw/zinc/32/75/14/871327514.db2.gz QADLAGVQVTUWPN-UHFFFAOYSA-N 1 1 383.374 3.736 20 5 GHBDMO Cc1ccc([C@@H](C)[NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1[N+](=O)[O-] ZINC000181843690 871550946 /nfs/dbraw/zinc/55/09/46/871550946.db2.gz ZOESJZWNTLEYDN-CYBMUJFWSA-N 1 1 396.472 3.976 20 5 GHBDMO CC(C)[C@@H](CNC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001194261810 871598086 /nfs/dbraw/zinc/59/80/86/871598086.db2.gz JXNWHCWMDLDFLX-HXUWFJFHSA-N 1 1 383.492 3.625 20 5 GHBDMO CC(C)[C@@H](CNC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001194261810 871598108 /nfs/dbraw/zinc/59/81/08/871598108.db2.gz JXNWHCWMDLDFLX-HXUWFJFHSA-N 1 1 383.492 3.625 20 5 GHBDMO Cc1ccc(C[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000069833355 871598411 /nfs/dbraw/zinc/59/84/11/871598411.db2.gz ALYLGPWCBNRUCV-HDICACEKSA-N 1 1 383.492 3.802 20 5 GHBDMO CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC001194477154 871738641 /nfs/dbraw/zinc/73/86/41/871738641.db2.gz ILMQYDNTRVVDOD-MRXNPFEDSA-N 1 1 387.505 3.715 20 5 GHBDMO CCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC001194477154 871738649 /nfs/dbraw/zinc/73/86/49/871738649.db2.gz ILMQYDNTRVVDOD-MRXNPFEDSA-N 1 1 387.505 3.715 20 5 GHBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ncc(-c3ccccc3)cn2)n1 ZINC000447600196 871960218 /nfs/dbraw/zinc/96/02/18/871960218.db2.gz ZSASKBIAFDCMJE-ZWKOTPCHSA-N 1 1 378.436 3.522 20 5 GHBDMO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC000595412938 871995558 /nfs/dbraw/zinc/99/55/58/871995558.db2.gz PLGTWDUNGWSGLY-CYBMUJFWSA-N 1 1 378.400 3.619 20 5 GHBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001195021843 872105927 /nfs/dbraw/zinc/10/59/27/872105927.db2.gz ICSIADFJAKLUCX-WOJBJXKFSA-N 1 1 388.489 3.637 20 5 GHBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001195021843 872105937 /nfs/dbraw/zinc/10/59/37/872105937.db2.gz ICSIADFJAKLUCX-WOJBJXKFSA-N 1 1 388.489 3.637 20 5 GHBDMO CC[N@H+]1CC[C@@H](CNCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000101593404 872117017 /nfs/dbraw/zinc/11/70/17/872117017.db2.gz JZCNEBLGNIPYSG-SFHVURJKSA-N 1 1 399.491 3.614 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000540864890 872348714 /nfs/dbraw/zinc/34/87/14/872348714.db2.gz WQUZOOMBZBIMSE-QGZVFWFLSA-N 1 1 393.447 3.638 20 5 GHBDMO CS(=O)(=O)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000552336605 872492478 /nfs/dbraw/zinc/49/24/78/872492478.db2.gz GOKOWIITIIPSQD-IBGZPJMESA-N 1 1 388.489 3.631 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000070670753 872690385 /nfs/dbraw/zinc/69/03/85/872690385.db2.gz YWYJVPDWUYVCGW-INIZCTEOSA-N 1 1 377.828 3.798 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001195884618 872735835 /nfs/dbraw/zinc/73/58/35/872735835.db2.gz RQFCFIZWBDTZMP-MRXNPFEDSA-N 1 1 375.469 3.834 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H]2CCCC[C@@H]12 ZINC001195902989 872744923 /nfs/dbraw/zinc/74/49/23/872744923.db2.gz QMHXPPINQMYEBI-OTWHNJEPSA-N 1 1 390.480 3.936 20 5 GHBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(Br)ccc1F ZINC000478415075 872969979 /nfs/dbraw/zinc/96/99/79/872969979.db2.gz IWYLTKSHRBQQLA-UHFFFAOYSA-N 1 1 385.237 3.604 20 5 GHBDMO COCC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000767939961 872972861 /nfs/dbraw/zinc/97/28/61/872972861.db2.gz KNZZLBBOVTXOCB-KBPBESRZSA-N 1 1 383.876 3.714 20 5 GHBDMO COCC[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000767939961 872972866 /nfs/dbraw/zinc/97/28/66/872972866.db2.gz KNZZLBBOVTXOCB-KBPBESRZSA-N 1 1 383.876 3.714 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000463971900 872997280 /nfs/dbraw/zinc/99/72/80/872997280.db2.gz VBGAGNBXWVMXNL-AEFFLSMTSA-N 1 1 382.464 3.996 20 5 GHBDMO C[C@H](c1ccc(F)cc1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460363276 873046284 /nfs/dbraw/zinc/04/62/84/873046284.db2.gz NEOXRNUMQZFKHW-CQSZACIVSA-N 1 1 383.427 3.884 20 5 GHBDMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001196469216 873116994 /nfs/dbraw/zinc/11/69/94/873116994.db2.gz HTIUIXCFAWXJSB-YJYMSZOUSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001196469216 873117002 /nfs/dbraw/zinc/11/70/02/873117002.db2.gz HTIUIXCFAWXJSB-YJYMSZOUSA-N 1 1 379.432 3.613 20 5 GHBDMO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464100078 873211638 /nfs/dbraw/zinc/21/16/38/873211638.db2.gz ROUGIUNZUKANJL-CQSZACIVSA-N 1 1 390.411 3.554 20 5 GHBDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464100078 873211647 /nfs/dbraw/zinc/21/16/47/873211647.db2.gz ROUGIUNZUKANJL-CQSZACIVSA-N 1 1 390.411 3.554 20 5 GHBDMO CCc1oc2ccccc2c1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541283086 873304649 /nfs/dbraw/zinc/30/46/49/873304649.db2.gz YQBZDQAECZDONW-OAHLLOKOSA-N 1 1 384.432 3.775 20 5 GHBDMO COC(=O)CCC[N@@H+](Cc1ccccc1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000768501688 873342472 /nfs/dbraw/zinc/34/24/72/873342472.db2.gz WBNISCTXUJHTMN-UHFFFAOYSA-N 1 1 396.447 3.666 20 5 GHBDMO COC(=O)CCC[N@H+](Cc1ccccc1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000768501688 873342486 /nfs/dbraw/zinc/34/24/86/873342486.db2.gz WBNISCTXUJHTMN-UHFFFAOYSA-N 1 1 396.447 3.666 20 5 GHBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1SC ZINC000609129273 873588002 /nfs/dbraw/zinc/58/80/02/873588002.db2.gz OPQOKFRASHTWEC-UHFFFAOYSA-N 1 1 395.525 3.518 20 5 GHBDMO C[C@@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)C1 ZINC000768865396 873667811 /nfs/dbraw/zinc/66/78/11/873667811.db2.gz AFIAPFCTSWSLBE-CYBMUJFWSA-N 1 1 395.506 3.689 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)C1 ZINC000768865396 873667816 /nfs/dbraw/zinc/66/78/16/873667816.db2.gz AFIAPFCTSWSLBE-CYBMUJFWSA-N 1 1 395.506 3.689 20 5 GHBDMO CCOC(=O)CC[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC1CC1 ZINC000769121162 873824055 /nfs/dbraw/zinc/82/40/55/873824055.db2.gz BQRQYWOREKCXKF-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO CCOC(=O)CC[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC1CC1 ZINC000769121162 873824064 /nfs/dbraw/zinc/82/40/64/873824064.db2.gz BQRQYWOREKCXKF-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475720275 882803766 /nfs/dbraw/zinc/80/37/66/882803766.db2.gz WGQSBKUJOCKKCP-FUHWJXTLSA-N 1 1 398.459 3.833 20 5 GHBDMO CN(C)c1ccc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC000769788629 874291139 /nfs/dbraw/zinc/29/11/39/874291139.db2.gz KFAZXYHUWMOWAC-UHFFFAOYSA-N 1 1 379.464 3.917 20 5 GHBDMO Cc1noc(C[NH+]2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001198240649 874304585 /nfs/dbraw/zinc/30/45/85/874304585.db2.gz KPSCSQINUPOKLD-UHFFFAOYSA-N 1 1 396.488 3.654 20 5 GHBDMO C[C@@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449011204 874356659 /nfs/dbraw/zinc/35/66/59/874356659.db2.gz PFUKRLCVEVULRY-HNNXBMFYSA-N 1 1 388.489 3.766 20 5 GHBDMO C[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449011204 874356678 /nfs/dbraw/zinc/35/66/78/874356678.db2.gz PFUKRLCVEVULRY-HNNXBMFYSA-N 1 1 388.489 3.766 20 5 GHBDMO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782675 874486898 /nfs/dbraw/zinc/48/68/98/874486898.db2.gz ZIFRXVNAUCKRNQ-KRWDZBQOSA-N 1 1 397.475 3.658 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)c1 ZINC001198603682 874511715 /nfs/dbraw/zinc/51/17/15/874511715.db2.gz ARCSCCSRPGRNPO-GOSISDBHSA-N 1 1 384.432 3.684 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000104674386 874619744 /nfs/dbraw/zinc/61/97/44/874619744.db2.gz LUGASFKORXGFND-UHFFFAOYSA-N 1 1 393.484 3.871 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000449459771 874885888 /nfs/dbraw/zinc/88/58/88/874885888.db2.gz LWFCTXPEMMCDRZ-AKCCUMBPSA-N 1 1 396.491 3.628 20 5 GHBDMO CO[C@](C)(C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000449486107 874939515 /nfs/dbraw/zinc/93/95/15/874939515.db2.gz SPSNFTAAJPLAOG-TZIWHRDSSA-N 1 1 380.448 3.569 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1c(C)ccnc1F ZINC001199717369 875142767 /nfs/dbraw/zinc/14/27/67/875142767.db2.gz OQZRGDMCRYJZEX-UHFFFAOYSA-N 1 1 390.418 3.786 20 5 GHBDMO Cc1ccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000465181287 875232565 /nfs/dbraw/zinc/23/25/65/875232565.db2.gz CVXKFIHLYFNFPZ-HNNXBMFYSA-N 1 1 383.448 3.876 20 5 GHBDMO COc1ccc(C[NH+]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)cc1F ZINC000450222670 876108921 /nfs/dbraw/zinc/10/89/21/876108921.db2.gz FONOWHOYKKCCLZ-UHFFFAOYSA-N 1 1 396.422 3.613 20 5 GHBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)C1 ZINC000163322631 876985425 /nfs/dbraw/zinc/98/54/25/876985425.db2.gz BOMYYONHRDGPHL-CQSZACIVSA-N 1 1 379.888 3.719 20 5 GHBDMO CCOc1cc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000492530973 877013217 /nfs/dbraw/zinc/01/32/17/877013217.db2.gz FGZSFSNDXUNRGO-HNNXBMFYSA-N 1 1 381.436 3.767 20 5 GHBDMO CN(C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000746667039 877307552 /nfs/dbraw/zinc/30/75/52/877307552.db2.gz WOEHBYKGDCYCKN-ZDUSSCGKSA-N 1 1 383.876 3.937 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000746667039 877307566 /nfs/dbraw/zinc/30/75/66/877307566.db2.gz WOEHBYKGDCYCKN-ZDUSSCGKSA-N 1 1 383.876 3.937 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492660561 877316579 /nfs/dbraw/zinc/31/65/79/877316579.db2.gz YEOBJTTUIKHINY-GOSISDBHSA-N 1 1 397.475 3.636 20 5 GHBDMO CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610060287 877342942 /nfs/dbraw/zinc/34/29/42/877342942.db2.gz OTUGKDMNUMZRLQ-IBGZPJMESA-N 1 1 381.476 3.653 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610064833 877348955 /nfs/dbraw/zinc/34/89/55/877348955.db2.gz FWKLBXSOFVJCHD-MRXNPFEDSA-N 1 1 375.513 3.889 20 5 GHBDMO CC[N@@H+](C)[C@@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000610070082 877364667 /nfs/dbraw/zinc/36/46/67/877364667.db2.gz SLIJONUDXHOHEC-HXUWFJFHSA-N 1 1 384.480 3.514 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000787405978 877399882 /nfs/dbraw/zinc/39/98/82/877399882.db2.gz IHJHCPQIRUIMSL-WJDWOHSUSA-N 1 1 386.883 3.864 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000610128091 877440867 /nfs/dbraw/zinc/44/08/67/877440867.db2.gz ZKSYDTONGNKCAX-INIZCTEOSA-N 1 1 392.459 3.813 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@](C)(COC)C2)cc1OC ZINC000451203000 877570958 /nfs/dbraw/zinc/57/09/58/877570958.db2.gz OSGYJIIKYAUUQI-FOIQADDNSA-N 1 1 380.485 3.887 20 5 GHBDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000746713079 877714152 /nfs/dbraw/zinc/71/41/52/877714152.db2.gz QWOFMLIVIQRAJJ-FUHWJXTLSA-N 1 1 393.443 3.807 20 5 GHBDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000746713079 877714161 /nfs/dbraw/zinc/71/41/61/877714161.db2.gz QWOFMLIVIQRAJJ-FUHWJXTLSA-N 1 1 393.443 3.807 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000110069024 877792154 /nfs/dbraw/zinc/79/21/54/877792154.db2.gz PUXNHQNFYOBVSE-MRXNPFEDSA-N 1 1 393.484 3.553 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)o2)c1 ZINC000451347467 877796952 /nfs/dbraw/zinc/79/69/52/877796952.db2.gz UKYJYZWPYCNYOY-GUDVDZBRSA-N 1 1 385.464 3.808 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451402955 877923778 /nfs/dbraw/zinc/92/37/78/877923778.db2.gz CLSZMCUNQLAMBW-NEPJUHHUSA-N 1 1 389.374 3.595 20 5 GHBDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cc(F)ccc1F ZINC000179787234 878015341 /nfs/dbraw/zinc/01/53/41/878015341.db2.gz XJLWBKMXQWPHAV-MEDUHNTESA-N 1 1 393.390 3.950 20 5 GHBDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000179792067 878015973 /nfs/dbraw/zinc/01/59/73/878015973.db2.gz SVTUDLAQXLJCNT-MEDUHNTESA-N 1 1 393.390 3.950 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852011994 878030353 /nfs/dbraw/zinc/03/03/53/878030353.db2.gz BWISHKXFDVJWHR-CQSZACIVSA-N 1 1 381.448 3.861 20 5 GHBDMO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549706 878126038 /nfs/dbraw/zinc/12/60/38/878126038.db2.gz QHZXWQQKEFSEPD-RDJZCZTQSA-N 1 1 378.436 3.511 20 5 GHBDMO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549706 878126050 /nfs/dbraw/zinc/12/60/50/878126050.db2.gz QHZXWQQKEFSEPD-RDJZCZTQSA-N 1 1 378.436 3.511 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000852319164 878236386 /nfs/dbraw/zinc/23/63/86/878236386.db2.gz ZFPSMTYNDRWCAU-VQTJNVASSA-N 1 1 398.459 3.569 20 5 GHBDMO O=C(Nc1ccc2c(c1)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2)C(F)(F)F ZINC000852334456 878254321 /nfs/dbraw/zinc/25/43/21/878254321.db2.gz QVTUMPLBADFQDZ-UHFFFAOYSA-N 1 1 379.338 3.654 20 5 GHBDMO O=C(Nc1ccc2c(c1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2)C(F)(F)F ZINC000852334456 878254339 /nfs/dbraw/zinc/25/43/39/878254339.db2.gz QVTUMPLBADFQDZ-UHFFFAOYSA-N 1 1 379.338 3.654 20 5 GHBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000537808452 878322608 /nfs/dbraw/zinc/32/26/08/878322608.db2.gz ASOCYEDNEWBNAW-GJZGRUSLSA-N 1 1 385.489 3.911 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000795678743 912338477 /nfs/dbraw/zinc/33/84/77/912338477.db2.gz FZVSUSIOOUMDBL-RCCFBDPRSA-N 1 1 379.416 3.728 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]([NH2+][C@@H]2COCC2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000451809740 878499032 /nfs/dbraw/zinc/49/90/32/878499032.db2.gz NLJQSZHDILEYGN-MOPGFXCFSA-N 1 1 383.448 3.598 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451855434 878571117 /nfs/dbraw/zinc/57/11/17/878571117.db2.gz ORZFVAIKBQCSQV-GOSISDBHSA-N 1 1 383.404 3.713 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451855434 878571123 /nfs/dbraw/zinc/57/11/23/878571123.db2.gz ORZFVAIKBQCSQV-GOSISDBHSA-N 1 1 383.404 3.713 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000493177386 878680785 /nfs/dbraw/zinc/68/07/85/878680785.db2.gz CAHAPBNLHCEPHM-AWEZNQCLSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000493177386 878680790 /nfs/dbraw/zinc/68/07/90/878680790.db2.gz CAHAPBNLHCEPHM-AWEZNQCLSA-N 1 1 388.855 3.802 20 5 GHBDMO COc1cc(C[NH2+]C(C)(C)c2c(C)noc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000285672479 912388096 /nfs/dbraw/zinc/38/80/96/912388096.db2.gz NNOSYZDZRLMQOX-UHFFFAOYSA-N 1 1 399.394 3.877 20 5 GHBDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000789358315 878868799 /nfs/dbraw/zinc/86/87/99/878868799.db2.gz PNNAYAVOJLZZII-ZDUSSCGKSA-N 1 1 395.419 3.621 20 5 GHBDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000789358315 878868807 /nfs/dbraw/zinc/86/88/07/878868807.db2.gz PNNAYAVOJLZZII-ZDUSSCGKSA-N 1 1 395.419 3.621 20 5 GHBDMO C[C@H](NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000452183260 879098038 /nfs/dbraw/zinc/09/80/38/879098038.db2.gz NSPNLCRBHCGRDB-BBWFWOEESA-N 1 1 397.475 3.695 20 5 GHBDMO C[C@H](NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000452183260 879098055 /nfs/dbraw/zinc/09/80/55/879098055.db2.gz NSPNLCRBHCGRDB-BBWFWOEESA-N 1 1 397.475 3.695 20 5 GHBDMO CCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265966541 879610772 /nfs/dbraw/zinc/61/07/72/879610772.db2.gz VFVGCLOERKTCOT-CGTJXYLNSA-N 1 1 386.452 3.670 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccc(F)c1 ZINC000152829058 879782985 /nfs/dbraw/zinc/78/29/85/879782985.db2.gz ZQBDEPFWBQCXKO-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494099701 879889178 /nfs/dbraw/zinc/88/91/78/879889178.db2.gz JFJNCBIRFXUTHL-PKOBYXMFSA-N 1 1 389.402 3.827 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494099701 879889198 /nfs/dbraw/zinc/88/91/98/879889198.db2.gz JFJNCBIRFXUTHL-PKOBYXMFSA-N 1 1 389.402 3.827 20 5 GHBDMO Cc1ccc(NC(=O)C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000170905437 879998072 /nfs/dbraw/zinc/99/80/72/879998072.db2.gz YIPIIAPSZSQLHP-UHFFFAOYSA-N 1 1 394.431 3.671 20 5 GHBDMO Cc1ccc(NC(=O)C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000170905437 879998084 /nfs/dbraw/zinc/99/80/84/879998084.db2.gz YIPIIAPSZSQLHP-UHFFFAOYSA-N 1 1 394.431 3.671 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000520261947 880511020 /nfs/dbraw/zinc/51/10/20/880511020.db2.gz MMIFSCMKIYFJFG-UHFFFAOYSA-N 1 1 388.493 3.950 20 5 GHBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n1)OC2 ZINC000453174826 880541973 /nfs/dbraw/zinc/54/19/73/880541973.db2.gz AVGOXDOEYRZCCO-CJNGLKHVSA-N 1 1 398.341 3.589 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774638614 912581738 /nfs/dbraw/zinc/58/17/38/912581738.db2.gz HWMAESIUSNVVMI-UONOGXRCSA-N 1 1 378.860 3.694 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774638614 912581746 /nfs/dbraw/zinc/58/17/46/912581746.db2.gz HWMAESIUSNVVMI-UONOGXRCSA-N 1 1 378.860 3.694 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000598220937 880699398 /nfs/dbraw/zinc/69/93/98/880699398.db2.gz RSENVHJDIAZELP-KRWDZBQOSA-N 1 1 394.475 3.794 20 5 GHBDMO C/C(=C\C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000791828953 880737903 /nfs/dbraw/zinc/73/79/03/880737903.db2.gz SBINGJMFXXPKFE-UMEYKSNOSA-N 1 1 379.460 3.636 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000556967495 881238633 /nfs/dbraw/zinc/23/86/33/881238633.db2.gz JSXZKDOPSIBTQC-GOSISDBHSA-N 1 1 386.448 3.529 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000556967495 881238648 /nfs/dbraw/zinc/23/86/48/881238648.db2.gz JSXZKDOPSIBTQC-GOSISDBHSA-N 1 1 386.448 3.529 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[N@H+]1C1CC1 ZINC000152984353 881286927 /nfs/dbraw/zinc/28/69/27/881286927.db2.gz HATXLMADIORIGG-KGLIPLIRSA-N 1 1 389.521 3.985 20 5 GHBDMO O=C([C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)N1CCCC1 ZINC000537626729 881330458 /nfs/dbraw/zinc/33/04/58/881330458.db2.gz DFSPNMKISDNHTC-INIZCTEOSA-N 1 1 383.448 3.689 20 5 GHBDMO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350673 883163622 /nfs/dbraw/zinc/16/36/22/883163622.db2.gz ZOLSFUZWTXPTSB-UHFFFAOYSA-N 1 1 389.418 3.852 20 5 GHBDMO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350673 883163633 /nfs/dbraw/zinc/16/36/33/883163633.db2.gz ZOLSFUZWTXPTSB-UHFFFAOYSA-N 1 1 389.418 3.852 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000609464293 883224717 /nfs/dbraw/zinc/22/47/17/883224717.db2.gz DSRGSFLLFZQXJY-UHFFFAOYSA-N 1 1 383.221 3.530 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000609546477 883338289 /nfs/dbraw/zinc/33/82/89/883338289.db2.gz PWHQKELRFOTLQF-IAGOWNOFSA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000609546477 883338299 /nfs/dbraw/zinc/33/82/99/883338299.db2.gz PWHQKELRFOTLQF-IAGOWNOFSA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000609614070 883455855 /nfs/dbraw/zinc/45/58/55/883455855.db2.gz LSPDGIHTTHRLGO-SJORKVTESA-N 1 1 389.496 3.548 20 5 GHBDMO CSc1cccc(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000777074674 883524097 /nfs/dbraw/zinc/52/40/97/883524097.db2.gz ZFRPDNQSHKXIFJ-UHFFFAOYSA-N 1 1 378.425 3.745 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000747225846 883537872 /nfs/dbraw/zinc/53/78/72/883537872.db2.gz DIDKFZVCFYRQPZ-INIZCTEOSA-N 1 1 394.475 3.580 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000805764803 884095687 /nfs/dbraw/zinc/09/56/87/884095687.db2.gz KQQLRIRCSMSYTM-INIZCTEOSA-N 1 1 393.484 3.873 20 5 GHBDMO CC(C)(NC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000487838620 884481862 /nfs/dbraw/zinc/48/18/62/884481862.db2.gz OJEOCXBGIFMQSL-UHFFFAOYSA-N 1 1 396.491 3.578 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000761916377 884997911 /nfs/dbraw/zinc/99/79/11/884997911.db2.gz OEWKHXBJEAEQGM-UHFFFAOYSA-N 1 1 394.416 3.826 20 5 GHBDMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000121870256 885392610 /nfs/dbraw/zinc/39/26/10/885392610.db2.gz VMHYYWORWLZHAN-ZDUSSCGKSA-N 1 1 397.522 3.538 20 5 GHBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000537564394 885423702 /nfs/dbraw/zinc/42/37/02/885423702.db2.gz UPOYFGHBSXEUFF-KRWDZBQOSA-N 1 1 393.447 3.638 20 5 GHBDMO COC(=O)c1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 ZINC000550624544 885557052 /nfs/dbraw/zinc/55/70/52/885557052.db2.gz WINBKKOSFRZZMK-UHFFFAOYSA-N 1 1 388.395 3.564 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000495392555 885647649 /nfs/dbraw/zinc/64/76/49/885647649.db2.gz ZETFQYYQNRHJRP-UHFFFAOYSA-N 1 1 397.353 3.954 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000532492847 885856194 /nfs/dbraw/zinc/85/61/94/885856194.db2.gz OENGXSWFSIPACP-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000532492847 885856208 /nfs/dbraw/zinc/85/62/08/885856208.db2.gz OENGXSWFSIPACP-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000915308378 886298160 /nfs/dbraw/zinc/29/81/60/886298160.db2.gz FMKZEEKDIGNJQO-LLVKDONJSA-N 1 1 394.884 3.878 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000915308378 886298181 /nfs/dbraw/zinc/29/81/81/886298181.db2.gz FMKZEEKDIGNJQO-LLVKDONJSA-N 1 1 394.884 3.878 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000556877556 886411209 /nfs/dbraw/zinc/41/12/09/886411209.db2.gz SEMXWWQRTBZQDV-FQEVSTJZSA-N 1 1 375.432 3.731 20 5 GHBDMO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000032446808 886544919 /nfs/dbraw/zinc/54/49/19/886544919.db2.gz PIACDMJOYOLORI-MRXNPFEDSA-N 1 1 387.867 3.815 20 5 GHBDMO C[C@@H](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@@H+](C)Cc1ccccc1 ZINC000536517412 886643622 /nfs/dbraw/zinc/64/36/22/886643622.db2.gz CDJXHBNOSJTKJV-HNNXBMFYSA-N 1 1 380.448 3.717 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)ccc1Cl ZINC000808795469 886792116 /nfs/dbraw/zinc/79/21/16/886792116.db2.gz VYEKSGVTELNXCO-LJQANCHMSA-N 1 1 378.831 3.814 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)ccc1Cl ZINC000808795469 886792126 /nfs/dbraw/zinc/79/21/26/886792126.db2.gz VYEKSGVTELNXCO-LJQANCHMSA-N 1 1 378.831 3.814 20 5 GHBDMO CN(CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1)C(=O)OC(C)(C)C ZINC000747529847 886831863 /nfs/dbraw/zinc/83/18/63/886831863.db2.gz RSHZUDLMUOLEAY-UHFFFAOYSA-N 1 1 381.448 3.813 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001131496198 886896047 /nfs/dbraw/zinc/89/60/47/886896047.db2.gz OIRHFRDPCAFNNS-GOSISDBHSA-N 1 1 381.476 3.897 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001131496198 886896061 /nfs/dbraw/zinc/89/60/61/886896061.db2.gz OIRHFRDPCAFNNS-GOSISDBHSA-N 1 1 381.476 3.897 20 5 GHBDMO C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272373149 887337673 /nfs/dbraw/zinc/33/76/73/887337673.db2.gz CBPTXQQHBIKFDM-UKRRQHHQSA-N 1 1 389.402 3.513 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000809375478 887348354 /nfs/dbraw/zinc/34/83/54/887348354.db2.gz DCHRZPOXGVFDHU-GFCCVEGCSA-N 1 1 376.376 3.686 20 5 GHBDMO C[C@H](O)C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000272481628 887561974 /nfs/dbraw/zinc/56/19/74/887561974.db2.gz CBUMILMZXOHITF-LRQRDZAKSA-N 1 1 394.475 3.562 20 5 GHBDMO Cc1nc2ccccc2n1C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000794677367 887748971 /nfs/dbraw/zinc/74/89/71/887748971.db2.gz DETGLGIEUVHMHD-UHFFFAOYSA-N 1 1 390.447 3.897 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000809996897 888052386 /nfs/dbraw/zinc/05/23/86/888052386.db2.gz MQPYCGLAERUQGX-KRWDZBQOSA-N 1 1 376.840 3.918 20 5 GHBDMO C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000121889079 888340778 /nfs/dbraw/zinc/34/07/78/888340778.db2.gz NLODCSYKWADVJJ-QGZVFWFLSA-N 1 1 396.491 3.789 20 5 GHBDMO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272695811 888426997 /nfs/dbraw/zinc/42/69/97/888426997.db2.gz HRAWAOBMCBMTJY-QWHCGFSZSA-N 1 1 399.413 3.996 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000301114902 888471073 /nfs/dbraw/zinc/47/10/73/888471073.db2.gz PGSWLLUIYYWTOE-MRXNPFEDSA-N 1 1 396.491 3.798 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCc2ccccc21 ZINC000729685116 888566749 /nfs/dbraw/zinc/56/67/49/888566749.db2.gz SZTOBZDYSNFRAZ-UHFFFAOYSA-N 1 1 377.400 3.534 20 5 GHBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000810618446 888682202 /nfs/dbraw/zinc/68/22/02/888682202.db2.gz FMJWUEUFWAXWRI-OAHLLOKOSA-N 1 1 394.431 3.957 20 5 GHBDMO Cc1cc(C)c(N2CC[C@H]([N@H+](C)CCc3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000796113975 913294013 /nfs/dbraw/zinc/29/40/13/913294013.db2.gz QRJXTOPHMVBCMA-FQEVSTJZSA-N 1 1 381.476 3.800 20 5 GHBDMO Cc1cc(C)c(N2CC[C@H]([N@@H+](C)CCc3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000796113975 913294030 /nfs/dbraw/zinc/29/40/30/913294030.db2.gz QRJXTOPHMVBCMA-FQEVSTJZSA-N 1 1 381.476 3.800 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000532958835 889425584 /nfs/dbraw/zinc/42/55/84/889425584.db2.gz ZKUZZVOKIPRYPM-WUJZJPHMSA-N 1 1 389.496 3.982 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001184803567 913414529 /nfs/dbraw/zinc/41/45/29/913414529.db2.gz WXGLHEZLDBSNEH-KRWDZBQOSA-N 1 1 392.459 3.650 20 5 GHBDMO O=[N+]([O-])c1cc2ccccc2nc1NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001184801607 913443769 /nfs/dbraw/zinc/44/37/69/913443769.db2.gz ADKDPQXGZBLZFJ-UHFFFAOYSA-N 1 1 395.438 3.516 20 5 GHBDMO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000795125020 890395837 /nfs/dbraw/zinc/39/58/37/890395837.db2.gz JYDJZQQDBDONEQ-CYBMUJFWSA-N 1 1 382.302 3.664 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1Cl ZINC000533419977 890510585 /nfs/dbraw/zinc/51/05/85/890510585.db2.gz YDUQCRJYNATJAL-UHFFFAOYSA-N 1 1 393.802 3.817 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833304 891016506 /nfs/dbraw/zinc/01/65/06/891016506.db2.gz HIUGLDZUOBZQTF-MRXNPFEDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833304 891016518 /nfs/dbraw/zinc/01/65/18/891016518.db2.gz HIUGLDZUOBZQTF-MRXNPFEDSA-N 1 1 383.876 3.983 20 5 GHBDMO COc1ccccc1[C@@H](C)CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170992 891327671 /nfs/dbraw/zinc/32/76/71/891327671.db2.gz PTXBZSXWFNBLDU-LPHOPBHVSA-N 1 1 398.459 3.915 20 5 GHBDMO COc1ccccc1[C@@H](C)CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170992 891327686 /nfs/dbraw/zinc/32/76/86/891327686.db2.gz PTXBZSXWFNBLDU-LPHOPBHVSA-N 1 1 398.459 3.915 20 5 GHBDMO O=C(CCSc1ccccc1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170972 891328367 /nfs/dbraw/zinc/32/83/67/891328367.db2.gz OUAOOCADEWZXFN-SFHVURJKSA-N 1 1 386.473 3.895 20 5 GHBDMO O=C(CCSc1ccccc1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170972 891328379 /nfs/dbraw/zinc/32/83/79/891328379.db2.gz OUAOOCADEWZXFN-SFHVURJKSA-N 1 1 386.473 3.895 20 5 GHBDMO O=C(/C=C\c1ccc2[nH]ccc2c1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171904 891329983 /nfs/dbraw/zinc/32/99/83/891329983.db2.gz WVNFMKOEWXVJBA-BPJPHKDRSA-N 1 1 391.427 3.907 20 5 GHBDMO O=C(/C=C\c1ccc2[nH]ccc2c1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171904 891330000 /nfs/dbraw/zinc/33/00/00/891330000.db2.gz WVNFMKOEWXVJBA-BPJPHKDRSA-N 1 1 391.427 3.907 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000813171611 891333143 /nfs/dbraw/zinc/33/31/43/891333143.db2.gz NCZFVARQXLWSPB-SLFFLAALSA-N 1 1 384.407 3.655 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000813171611 891333157 /nfs/dbraw/zinc/33/31/57/891333157.db2.gz NCZFVARQXLWSPB-SLFFLAALSA-N 1 1 384.407 3.655 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCSc2ccccc21 ZINC000813173917 891333796 /nfs/dbraw/zinc/33/37/96/891333796.db2.gz MGQYKLJKWIBXDW-HKUYNNGSSA-N 1 1 398.484 3.992 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCSc2ccccc21 ZINC000813173917 891333816 /nfs/dbraw/zinc/33/38/16/891333816.db2.gz MGQYKLJKWIBXDW-HKUYNNGSSA-N 1 1 398.484 3.992 20 5 GHBDMO C[N@H+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@H](c2ccccc2)C1 ZINC000917462300 892004366 /nfs/dbraw/zinc/00/43/66/892004366.db2.gz DCXCECWHKRNWLK-KRWDZBQOSA-N 1 1 384.461 3.818 20 5 GHBDMO CC(C)(C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000814127808 892320399 /nfs/dbraw/zinc/32/03/99/892320399.db2.gz NFSWGSBXFQLGCR-HSZRJFAPSA-N 1 1 395.503 3.901 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170688987 892446913 /nfs/dbraw/zinc/44/69/13/892446913.db2.gz YXOSYHQYQCSBLT-PBHICJAKSA-N 1 1 379.420 3.892 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000194544072 893003789 /nfs/dbraw/zinc/00/37/89/893003789.db2.gz PLULSNBISWKVRI-UHFFFAOYSA-N 1 1 381.476 3.684 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563067205 893334748 /nfs/dbraw/zinc/33/47/48/893334748.db2.gz FBQLKYJBHDRSNU-GXTWGEPZSA-N 1 1 386.395 3.596 20 5 GHBDMO COc1ccc(CC(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)cc1[N+](=O)[O-] ZINC000536647703 893451309 /nfs/dbraw/zinc/45/13/09/893451309.db2.gz MCMYARUVKCDNGA-UHFFFAOYSA-N 1 1 383.448 3.756 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000536983529 894172086 /nfs/dbraw/zinc/17/20/86/894172086.db2.gz MORNUQFBBGBBIA-HNAYVOBHSA-N 1 1 394.475 3.734 20 5 GHBDMO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778306127 894222958 /nfs/dbraw/zinc/22/29/58/894222958.db2.gz PQOMTZZNCTUHRN-QGZVFWFLSA-N 1 1 376.359 3.504 20 5 GHBDMO O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778306127 894222975 /nfs/dbraw/zinc/22/29/75/894222975.db2.gz PQOMTZZNCTUHRN-QGZVFWFLSA-N 1 1 376.359 3.504 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000537299513 894728129 /nfs/dbraw/zinc/72/81/29/894728129.db2.gz GMSKLAXVEJSDCG-IEBWSBKVSA-N 1 1 397.475 3.624 20 5 GHBDMO C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000564333445 894872739 /nfs/dbraw/zinc/87/27/39/894872739.db2.gz NCAKUDBRVNREAC-CHWSQXEVSA-N 1 1 399.413 3.996 20 5 GHBDMO C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000564333448 894872849 /nfs/dbraw/zinc/87/28/49/894872849.db2.gz NCAKUDBRVNREAC-STQMWFEESA-N 1 1 399.413 3.996 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249169 894930328 /nfs/dbraw/zinc/93/03/28/894930328.db2.gz HENMJVLEMWGFRO-HNNXBMFYSA-N 1 1 385.468 3.514 20 5 GHBDMO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000564840320 895275852 /nfs/dbraw/zinc/27/58/52/895275852.db2.gz AGOWAVDEPUJVFW-INIZCTEOSA-N 1 1 397.328 3.539 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H](CC(F)(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000817281778 895433734 /nfs/dbraw/zinc/43/37/34/895433734.db2.gz PAHJHUMFEXBNSJ-NSHDSACASA-N 1 1 377.338 3.727 20 5 GHBDMO C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000565307923 895521714 /nfs/dbraw/zinc/52/17/14/895521714.db2.gz OZJMKYQNKVYJHQ-VFNWGFHPSA-N 1 1 385.439 3.618 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH+]2CCC3(CCCCO3)CC2)o1 ZINC000880457967 895716250 /nfs/dbraw/zinc/71/62/50/895716250.db2.gz CTBJLIUPVILCNQ-UHFFFAOYSA-N 1 1 392.843 3.833 20 5 GHBDMO CC(C)[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000565882696 895956362 /nfs/dbraw/zinc/95/63/62/895956362.db2.gz CUTSGSBXRGYBCQ-WOJBJXKFSA-N 1 1 379.464 3.842 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000819679202 896902402 /nfs/dbraw/zinc/90/24/02/896902402.db2.gz XRIUCJHIUDKCOM-TWGQIWQCSA-N 1 1 386.477 3.860 20 5 GHBDMO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001185818881 914128019 /nfs/dbraw/zinc/12/80/19/914128019.db2.gz FFJOAICZYFGVKO-ACLJYUFQSA-N 1 1 399.422 3.777 20 5 GHBDMO CNc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000568336759 897755068 /nfs/dbraw/zinc/75/50/68/897755068.db2.gz DESOKHZUFXLGJA-SFHVURJKSA-N 1 1 396.491 3.669 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000569310766 898531955 /nfs/dbraw/zinc/53/19/55/898531955.db2.gz ONCFTKMXOOBBPO-UHFFFAOYSA-N 1 1 391.515 3.874 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000569892296 899008718 /nfs/dbraw/zinc/00/87/18/899008718.db2.gz KGNYRENZVHMGAH-INIZCTEOSA-N 1 1 377.448 3.733 20 5 GHBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000570588972 899412462 /nfs/dbraw/zinc/41/24/62/899412462.db2.gz YNFNDSOPUOSQIB-UHFFFAOYSA-N 1 1 377.488 3.533 20 5 GHBDMO COc1ccc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000570859434 899644774 /nfs/dbraw/zinc/64/47/74/899644774.db2.gz QWHANDBZJTYHLV-KDURUIRLSA-N 1 1 386.448 3.792 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)o2)c1 ZINC000289843592 914376925 /nfs/dbraw/zinc/37/69/25/914376925.db2.gz KGSZIUILOYJAOL-INIZCTEOSA-N 1 1 387.827 3.589 20 5 GHBDMO Cn1cc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000571843075 899984822 /nfs/dbraw/zinc/98/48/22/899984822.db2.gz QPUCIYFBHUOZFS-FQEVSTJZSA-N 1 1 384.480 3.776 20 5 GHBDMO Cn1cc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000571843075 899984826 /nfs/dbraw/zinc/98/48/26/899984826.db2.gz QPUCIYFBHUOZFS-FQEVSTJZSA-N 1 1 384.480 3.776 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000825437846 900162769 /nfs/dbraw/zinc/16/27/69/900162769.db2.gz LJRRHSSOYLHIFS-UHFFFAOYSA-N 1 1 387.867 3.735 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000137078614 900778922 /nfs/dbraw/zinc/77/89/22/900778922.db2.gz FGXCNZCABKTGSC-MAUKXSAKSA-N 1 1 387.505 3.843 20 5 GHBDMO Cn1cc(C[NH2+]Cc2nc(C(F)(F)F)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000123348580 901922299 /nfs/dbraw/zinc/92/22/99/901922299.db2.gz SXZLPLSWSLMTKU-UHFFFAOYSA-N 1 1 397.382 3.760 20 5 GHBDMO COc1cc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000124589601 902089142 /nfs/dbraw/zinc/08/91/42/902089142.db2.gz WPBAMNHBUUPUKA-NRFANRHFSA-N 1 1 386.448 3.558 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000846110240 902687317 /nfs/dbraw/zinc/68/73/17/902687317.db2.gz ILUNXNJEAUHYAZ-CALCHBBNSA-N 1 1 390.386 3.879 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000779013161 902807874 /nfs/dbraw/zinc/80/78/74/902807874.db2.gz XGFSAHVNJHTSOP-NVXWUHKLSA-N 1 1 385.439 3.683 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826584896 903819282 /nfs/dbraw/zinc/81/92/82/903819282.db2.gz JMYTXXQIBNXRNS-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@@H](CSc1ccccc1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171773045 905014283 /nfs/dbraw/zinc/01/42/83/905014283.db2.gz RBRMYVSGWGLSHS-HNNXBMFYSA-N 1 1 385.489 3.597 20 5 GHBDMO C[C@@H](CSc1ccccc1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171773045 905014302 /nfs/dbraw/zinc/01/43/02/905014302.db2.gz RBRMYVSGWGLSHS-HNNXBMFYSA-N 1 1 385.489 3.597 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC001171740854 905029098 /nfs/dbraw/zinc/02/90/98/905029098.db2.gz IWOPORKHVXKEDA-OAHLLOKOSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)ccc1O ZINC000174541375 905293113 /nfs/dbraw/zinc/29/31/13/905293113.db2.gz FEMZCAVMMMISRZ-UHFFFAOYSA-N 1 1 383.404 3.639 20 5 GHBDMO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911236 906017940 /nfs/dbraw/zinc/01/79/40/906017940.db2.gz HSZBWWLDJRXOBB-FPOVZHCZSA-N 1 1 382.460 3.606 20 5 GHBDMO COc1ccc(C[N@@H+](C)C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 ZINC001173012127 906090481 /nfs/dbraw/zinc/09/04/81/906090481.db2.gz DLUSEZIQGAAJCX-UHFFFAOYSA-N 1 1 391.418 3.982 20 5 GHBDMO C[C@H]1c2cccn2CC[N@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014879 906092175 /nfs/dbraw/zinc/09/21/75/906092175.db2.gz DDCYAJPCZOUFRH-ZDUSSCGKSA-N 1 1 376.407 3.720 20 5 GHBDMO CCN(CC)CC[N@@H+](CC)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017524 906093496 /nfs/dbraw/zinc/09/34/96/906093496.db2.gz FGLDBQLQMXMPQE-UHFFFAOYSA-N 1 1 384.471 3.506 20 5 GHBDMO CCN(CC[NH+](CC)CC)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017524 906093503 /nfs/dbraw/zinc/09/35/03/906093503.db2.gz FGLDBQLQMXMPQE-UHFFFAOYSA-N 1 1 384.471 3.506 20 5 GHBDMO CCOC(=O)C[C@@H]1CC[N@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC001173191253 906273865 /nfs/dbraw/zinc/27/38/65/906273865.db2.gz BZYGLBHKLZPDLU-ILXRZTDVSA-N 1 1 396.459 3.585 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)Cc2cccc3c2OCO3)c1F ZINC001173191970 906275944 /nfs/dbraw/zinc/27/59/44/906275944.db2.gz GULQXSNGTAMADA-LBPRGKRZSA-N 1 1 376.384 3.534 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001173221731 906299012 /nfs/dbraw/zinc/29/90/12/906299012.db2.gz LKROYZDWXLLBAC-WBVHZDCISA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CCCN2C(=O)OC(C)(C)C ZINC001173222516 906302180 /nfs/dbraw/zinc/30/21/80/906302180.db2.gz SOPQTSAOPPQMTI-OAHLLOKOSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001173227688 906311301 /nfs/dbraw/zinc/31/13/01/906311301.db2.gz UVVSSSXIUWFVAD-QRWLVFNGSA-N 1 1 385.489 3.716 20 5 GHBDMO Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C3)CC2=O)cc1 ZINC001173229626 906314785 /nfs/dbraw/zinc/31/47/85/906314785.db2.gz XZWKDFQISXIRGR-FDDCHVKYSA-N 1 1 393.487 3.963 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001173233281 906317672 /nfs/dbraw/zinc/31/76/72/906317672.db2.gz VDMFDSXPARMPBE-STZQEDGTSA-N 1 1 379.504 3.980 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001173233281 906317687 /nfs/dbraw/zinc/31/76/87/906317687.db2.gz VDMFDSXPARMPBE-STZQEDGTSA-N 1 1 379.504 3.980 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(Cc2c(F)cccc2F)CC1 ZINC001173233595 906320273 /nfs/dbraw/zinc/32/02/73/906320273.db2.gz XMNQPOHSUCXURS-OAHLLOKOSA-N 1 1 375.419 3.622 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001173234451 906322235 /nfs/dbraw/zinc/32/22/35/906322235.db2.gz RQXWPGZHLMDAJI-BFYDXBDKSA-N 1 1 377.485 3.903 20 5 GHBDMO C[C@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000773440366 907358332 /nfs/dbraw/zinc/35/83/32/907358332.db2.gz KEHHHVGLWVJOAF-GRYCIOLGSA-N 1 1 385.258 3.662 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC001175399360 907534802 /nfs/dbraw/zinc/53/48/02/907534802.db2.gz KOPOCCBLLDXEOE-OAHLLOKOSA-N 1 1 393.447 3.598 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC001175399360 907534810 /nfs/dbraw/zinc/53/48/10/907534810.db2.gz KOPOCCBLLDXEOE-OAHLLOKOSA-N 1 1 393.447 3.598 20 5 GHBDMO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001175822829 907779320 /nfs/dbraw/zinc/77/93/20/907779320.db2.gz ZLPXMTWFKJPVTM-FCHUYYIVSA-N 1 1 383.492 3.615 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001176410541 908104569 /nfs/dbraw/zinc/10/45/69/908104569.db2.gz ALEOZWISJHXCFC-UKRRQHHQSA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001176410541 908104579 /nfs/dbraw/zinc/10/45/79/908104579.db2.gz ALEOZWISJHXCFC-UKRRQHHQSA-N 1 1 395.887 3.714 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)nc1 ZINC000245631633 909781953 /nfs/dbraw/zinc/78/19/53/909781953.db2.gz ICIFXDAMLBMDQY-WBMJQRKESA-N 1 1 397.262 3.516 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001180249322 910045308 /nfs/dbraw/zinc/04/53/08/910045308.db2.gz IJNHEVIECDITIR-FOWTUZBSSA-N 1 1 382.420 3.729 20 5 GHBDMO COc1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)ccc1S(C)(=O)=O ZINC000271541461 910950170 /nfs/dbraw/zinc/95/01/70/910950170.db2.gz UJNSEEMUTBIVMK-LLVKDONJSA-N 1 1 398.868 3.511 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000274216912 911265281 /nfs/dbraw/zinc/26/52/81/911265281.db2.gz JBNWCHPSHYUTLZ-SESVDKBCSA-N 1 1 392.459 3.928 20 5 GHBDMO C[N@@H+](C1CN(C(=O)CCc2c3ccccc3cc3ccccc32)C1)[C@H]1CCOC1 ZINC001182413018 911626758 /nfs/dbraw/zinc/62/67/58/911626758.db2.gz LKEOJYIVLHCULW-FQEVSTJZSA-N 1 1 388.511 3.857 20 5 GHBDMO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000248209743 911865316 /nfs/dbraw/zinc/86/53/16/911865316.db2.gz CPWUERWLMODPFV-UHFFFAOYSA-N 1 1 387.867 3.815 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000802010891 921752335 /nfs/dbraw/zinc/75/23/35/921752335.db2.gz JVLQYRBKKYBAJN-SFHVURJKSA-N 1 1 381.498 3.879 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000802010891 921752347 /nfs/dbraw/zinc/75/23/47/921752347.db2.gz JVLQYRBKKYBAJN-SFHVURJKSA-N 1 1 381.498 3.879 20 5 GHBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000303862560 915209184 /nfs/dbraw/zinc/20/91/84/915209184.db2.gz GVDXPAVKIGWLCK-QGZVFWFLSA-N 1 1 385.464 3.885 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000293121557 916017612 /nfs/dbraw/zinc/01/76/12/916017612.db2.gz PHKGLYHMEMTRNU-LBPRGKRZSA-N 1 1 395.385 3.531 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000293121557 916017633 /nfs/dbraw/zinc/01/76/33/916017633.db2.gz PHKGLYHMEMTRNU-LBPRGKRZSA-N 1 1 395.385 3.531 20 5 GHBDMO Cc1ccccc1[C@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000796418164 916802842 /nfs/dbraw/zinc/80/28/42/916802842.db2.gz OYBLNHNZSWUJPD-HRAATJIYSA-N 1 1 397.475 3.676 20 5 GHBDMO COc1cc(C[NH+]2CCC([C@@H](O)c3ccccc3C)CC2)c([N+](=O)[O-])cc1F ZINC000796429468 917065146 /nfs/dbraw/zinc/06/51/46/917065146.db2.gz KYVFJKYCRYQXBT-OAQYLSRUSA-N 1 1 388.439 3.997 20 5 GHBDMO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cc(F)ccc1N1CCC(O)CC1 ZINC000775357785 917147517 /nfs/dbraw/zinc/14/75/17/917147517.db2.gz OCRUZJSBPUKHEI-ZDUSSCGKSA-N 1 1 391.418 3.685 20 5 GHBDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000800343885 919935616 /nfs/dbraw/zinc/93/56/16/919935616.db2.gz HHRALPNIXOBTDY-VWKPWSFCSA-N 1 1 383.448 3.774 20 5 GHBDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000800343885 919935626 /nfs/dbraw/zinc/93/56/26/919935626.db2.gz HHRALPNIXOBTDY-VWKPWSFCSA-N 1 1 383.448 3.774 20 5 GHBDMO O=c1ccccn1C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000800506895 920213647 /nfs/dbraw/zinc/21/36/47/920213647.db2.gz GVZHBFIMQXKBKI-GOSISDBHSA-N 1 1 383.835 3.941 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000800865877 920543706 /nfs/dbraw/zinc/54/37/06/920543706.db2.gz MFTGFIFMXBKKKN-UHFFFAOYSA-N 1 1 388.405 3.912 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000800865877 920543711 /nfs/dbraw/zinc/54/37/11/920543711.db2.gz MFTGFIFMXBKKKN-UHFFFAOYSA-N 1 1 388.405 3.912 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000900800211 920621093 /nfs/dbraw/zinc/62/10/93/920621093.db2.gz MNYKEZIWASZSLV-UWVGGRQHSA-N 1 1 392.258 3.986 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)cc1 ZINC000801518664 921092063 /nfs/dbraw/zinc/09/20/63/921092063.db2.gz OKSVIPACEKJIHF-UHFFFAOYSA-N 1 1 375.356 3.686 20 5 GHBDMO COc1ccc(CN[C@H](CCCC[NH3+])c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000902363190 922124488 /nfs/dbraw/zinc/12/44/88/922124488.db2.gz ZBRMQGBCGHHBPS-QGZVFWFLSA-N 1 1 379.407 3.842 20 5 GHBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000369853826 923683011 /nfs/dbraw/zinc/68/30/11/923683011.db2.gz SGBUJRAODBMALX-GOSISDBHSA-N 1 1 396.491 3.760 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)cc1[N+](=O)[O-] ZINC000826779812 924180556 /nfs/dbraw/zinc/18/05/56/924180556.db2.gz DNKYTQHWCCKBKC-UHFFFAOYSA-N 1 1 392.459 3.733 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)cc1[N+](=O)[O-] ZINC000826779812 924180563 /nfs/dbraw/zinc/18/05/63/924180563.db2.gz DNKYTQHWCCKBKC-UHFFFAOYSA-N 1 1 392.459 3.733 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)n2)c1 ZINC000371542796 924650483 /nfs/dbraw/zinc/65/04/83/924650483.db2.gz AAROYULRDGZXNL-FQEVSTJZSA-N 1 1 394.431 3.902 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)o2)cc1 ZINC000371549515 924658176 /nfs/dbraw/zinc/65/81/76/924658176.db2.gz AFUZNXQKWJCVGM-APWZRJJASA-N 1 1 380.404 3.512 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000409586695 924777875 /nfs/dbraw/zinc/77/78/75/924777875.db2.gz RNPYCHYCMSLFBN-UHFFFAOYSA-N 1 1 383.383 3.858 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000410368029 925589333 /nfs/dbraw/zinc/58/93/33/925589333.db2.gz SOGOTAJNVIDWBA-IYBDPMFKSA-N 1 1 398.463 3.526 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc(-c4ccccc4F)n3)CC2)n1 ZINC000373274628 925981996 /nfs/dbraw/zinc/98/19/96/925981996.db2.gz NCXAOVDRRGLCJO-UHFFFAOYSA-N 1 1 387.440 3.891 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)n1 ZINC000373278173 925984980 /nfs/dbraw/zinc/98/49/80/925984980.db2.gz MFHRHLICHABDLD-UHFFFAOYSA-N 1 1 387.827 3.937 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000827849709 926081642 /nfs/dbraw/zinc/08/16/42/926081642.db2.gz IPUQMIYQPMGNAJ-CALCHBBNSA-N 1 1 381.270 3.750 20 5 GHBDMO O=C(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1c(Cl)cccc1Cl ZINC000411484817 926438822 /nfs/dbraw/zinc/43/88/22/926438822.db2.gz YWMYBMIFFIZAHB-UHFFFAOYSA-N 1 1 395.246 3.684 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000726601927 926755801 /nfs/dbraw/zinc/75/58/01/926755801.db2.gz UAPAFPDPQXRPDN-QAPCUYQASA-N 1 1 393.484 3.741 20 5 GHBDMO COc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000726603181 926757004 /nfs/dbraw/zinc/75/70/04/926757004.db2.gz NQIZOBISAIONQT-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000411982139 926964637 /nfs/dbraw/zinc/96/46/37/926964637.db2.gz JLPDOGMCGMKLOT-GOSISDBHSA-N 1 1 390.505 3.967 20 5 GHBDMO O=C([C@H]1CC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2)N1CCCCC1 ZINC000374515527 927229432 /nfs/dbraw/zinc/22/94/32/927229432.db2.gz VHQJDLKERMZLJY-QGZVFWFLSA-N 1 1 391.899 3.863 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)c(OC)c1 ZINC000750090627 927429948 /nfs/dbraw/zinc/42/99/48/927429948.db2.gz DOELMDIKBVBHDS-LJQANCHMSA-N 1 1 388.464 3.946 20 5 GHBDMO Cc1n[nH]cc1C1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000375390314 928246834 /nfs/dbraw/zinc/24/68/34/928246834.db2.gz KHRDQIMJVBEBKS-CYBMUJFWSA-N 1 1 382.424 3.617 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000751603425 928270948 /nfs/dbraw/zinc/27/09/48/928270948.db2.gz DVIMWMCXCXGTEE-OAQYLSRUSA-N 1 1 379.464 3.950 20 5 GHBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752072234 928585170 /nfs/dbraw/zinc/58/51/70/928585170.db2.gz ZPGKOWOJRQPFQO-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752072234 928585179 /nfs/dbraw/zinc/58/51/79/928585179.db2.gz ZPGKOWOJRQPFQO-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](CCc1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000544023796 928699056 /nfs/dbraw/zinc/69/90/56/928699056.db2.gz MIFWCYHSODGEGJ-INIZCTEOSA-N 1 1 385.439 3.513 20 5 GHBDMO C/C(=C\C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752476882 928839613 /nfs/dbraw/zinc/83/96/13/928839613.db2.gz DMNJPMQHGGJNTM-PVGBUVFQSA-N 1 1 379.460 3.731 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC000544145183 928864425 /nfs/dbraw/zinc/86/44/25/928864425.db2.gz KLVXBGAESKAOLB-SFHVURJKSA-N 1 1 388.489 3.638 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC000544145183 928864435 /nfs/dbraw/zinc/86/44/35/928864435.db2.gz KLVXBGAESKAOLB-SFHVURJKSA-N 1 1 388.489 3.638 20 5 GHBDMO C/C(=C/C(=O)NCc1ccc(C)[nH+]c1N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752773305 929015784 /nfs/dbraw/zinc/01/57/84/929015784.db2.gz KNFJDEGPFIHWEJ-SQFISAMPSA-N 1 1 380.448 3.618 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000544611105 929343585 /nfs/dbraw/zinc/34/35/85/929343585.db2.gz IYXLIBJZJQQAER-OAHLLOKOSA-N 1 1 387.402 3.526 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753668342 929471621 /nfs/dbraw/zinc/47/16/21/929471621.db2.gz HNMUKNLMPYTNEE-HFJWLAOPSA-N 1 1 378.494 3.976 20 5 GHBDMO CC[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000544767833 929558723 /nfs/dbraw/zinc/55/87/23/929558723.db2.gz MKYZDVDNDLHDQZ-FQEVSTJZSA-N 1 1 381.476 3.650 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545877509 929634342 /nfs/dbraw/zinc/63/43/42/929634342.db2.gz PDBFKWUQEUAOTL-UHFFFAOYSA-N 1 1 379.476 3.734 20 5 GHBDMO CC(C)OC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000546029173 929788293 /nfs/dbraw/zinc/78/82/93/929788293.db2.gz SKJFYCJTHMRXRH-QGZVFWFLSA-N 1 1 376.478 3.949 20 5 GHBDMO CC(C)OC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000546029173 929788295 /nfs/dbraw/zinc/78/82/95/929788295.db2.gz SKJFYCJTHMRXRH-QGZVFWFLSA-N 1 1 376.478 3.949 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000469451818 929904108 /nfs/dbraw/zinc/90/41/08/929904108.db2.gz GBZGXVWCEFZKNL-CYBMUJFWSA-N 1 1 375.375 3.691 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470149588 930410065 /nfs/dbraw/zinc/41/00/65/930410065.db2.gz SCOJKJWKXWUTJX-CYBMUJFWSA-N 1 1 392.456 3.829 20 5 GHBDMO COC(=O)/C=C/c1ccc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000781395430 930829173 /nfs/dbraw/zinc/82/91/73/930829173.db2.gz YXVOTLQRGODBHM-WCQDORBPSA-N 1 1 387.480 3.846 20 5 GHBDMO CCNc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000470818110 930936960 /nfs/dbraw/zinc/93/69/60/930936960.db2.gz YNUUADOYZNCEQM-LJQANCHMSA-N 1 1 396.491 3.763 20 5 GHBDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 ZINC000782957604 931375449 /nfs/dbraw/zinc/37/54/49/931375449.db2.gz XQKOQXPETSLVAW-QFBILLFUSA-N 1 1 377.448 3.997 20 5 GHBDMO COc1c(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000796710593 932039378 /nfs/dbraw/zinc/03/93/78/932039378.db2.gz PEGIEMITZJPZNJ-KRWDZBQOSA-N 1 1 384.432 3.672 20 5 GHBDMO COc1c(C(=O)O[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000796825588 932081137 /nfs/dbraw/zinc/08/11/37/932081137.db2.gz IMXVRCMESGYWAQ-RDJZCZTQSA-N 1 1 384.432 3.671 20 5 GHBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000558609647 932106881 /nfs/dbraw/zinc/10/68/81/932106881.db2.gz IZPJBKWUWONEEY-GFCCVEGCSA-N 1 1 390.406 3.533 20 5 GHBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000558615901 932110622 /nfs/dbraw/zinc/11/06/22/932110622.db2.gz GOCPEYNLAGPLEG-ZDUSSCGKSA-N 1 1 376.482 3.569 20 5 GHBDMO O=C1[C@@H]([N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000558739537 932203989 /nfs/dbraw/zinc/20/39/89/932203989.db2.gz OFGWTWKAFUKLGN-HOTGVXAUSA-N 1 1 397.397 3.755 20 5 GHBDMO O=C1[C@@H]([N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000558739537 932203993 /nfs/dbraw/zinc/20/39/93/932203993.db2.gz OFGWTWKAFUKLGN-HOTGVXAUSA-N 1 1 397.397 3.755 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(OCC)ccc2[N+](=O)[O-])CC1 ZINC000558829943 932261367 /nfs/dbraw/zinc/26/13/67/932261367.db2.gz MUTXLWUABCJTNW-UHFFFAOYSA-N 1 1 377.485 3.578 20 5 GHBDMO COc1ccccc1C1(F)CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000797823580 932418061 /nfs/dbraw/zinc/41/80/61/932418061.db2.gz DHTNFCWRUSGIDI-UHFFFAOYSA-N 1 1 384.411 3.871 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000799156077 932890483 /nfs/dbraw/zinc/89/04/83/932890483.db2.gz LIBMGLAYTFLPOV-DOVSJBTNSA-N 1 1 384.480 3.677 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000799360703 932969728 /nfs/dbraw/zinc/96/97/28/932969728.db2.gz ODEHTCMWPGUSLX-AWEZNQCLSA-N 1 1 381.448 3.861 20 5 GHBDMO Cc1cccc(O[C@@H](C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000560528542 933313468 /nfs/dbraw/zinc/31/34/68/933313468.db2.gz HODMLISLFIEACJ-JXFKEZNVSA-N 1 1 380.448 3.783 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(O)(Cc3ccccn3)CC2)c1 ZINC000930986013 934326363 /nfs/dbraw/zinc/32/63/63/934326363.db2.gz DOIHLUDNNVKGAA-UHFFFAOYSA-N 1 1 395.381 3.578 20 5 GHBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000931626494 934650565 /nfs/dbraw/zinc/65/05/65/934650565.db2.gz RUSJSKUSKXJNJU-CQSZACIVSA-N 1 1 380.876 3.752 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000931906050 934761254 /nfs/dbraw/zinc/76/12/54/934761254.db2.gz URPKPOHIECDLRK-KRWDZBQOSA-N 1 1 399.516 3.611 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@]4(CC(F)(F)C4(F)F)C3)o2)cc1 ZINC000931917218 934764462 /nfs/dbraw/zinc/76/44/62/934764462.db2.gz CGOYYVPULXSRTQ-AWEZNQCLSA-N 1 1 386.305 3.511 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@]4(CC(F)(F)C4(F)F)C3)o2)cc1 ZINC000931917218 934764468 /nfs/dbraw/zinc/76/44/68/934764468.db2.gz CGOYYVPULXSRTQ-AWEZNQCLSA-N 1 1 386.305 3.511 20 5 GHBDMO CCC[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001137819505 935806963 /nfs/dbraw/zinc/80/69/63/935806963.db2.gz WECVRFVRIQEGLH-IBGZPJMESA-N 1 1 396.491 3.520 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000545199694 1015646287 /nfs/dbraw/zinc/64/62/87/1015646287.db2.gz UUTVTGPPKGPPBE-LJQANCHMSA-N 1 1 375.513 3.742 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545828505 1016467714 /nfs/dbraw/zinc/46/77/14/1016467714.db2.gz YAMKYKLJNKPHBU-RDJZCZTQSA-N 1 1 399.466 3.963 20 5 GHBDMO Cc1ccc(N2CCC[C@@H](Oc3ccc(Br)nc3[N+](=O)[O-])C2)[nH+]c1 ZINC001227259584 1032345899 /nfs/dbraw/zinc/34/58/99/1032345899.db2.gz JNLMZEJRWGCUDY-GFCCVEGCSA-N 1 1 393.241 3.504 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001227298188 1032361285 /nfs/dbraw/zinc/36/12/85/1032361285.db2.gz MQRURYUTKXQCPM-MRXNPFEDSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001227298188 1032361297 /nfs/dbraw/zinc/36/12/97/1032361297.db2.gz MQRURYUTKXQCPM-MRXNPFEDSA-N 1 1 388.395 3.564 20 5 GHBDMO Cc1nc(Cl)nc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001227337116 1032380198 /nfs/dbraw/zinc/38/01/98/1032380198.db2.gz DSVKWLZUWUBZKH-LBPRGKRZSA-N 1 1 383.235 3.653 20 5 GHBDMO Cc1nc(Cl)nc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001227337116 1032380211 /nfs/dbraw/zinc/38/02/11/1032380211.db2.gz DSVKWLZUWUBZKH-LBPRGKRZSA-N 1 1 383.235 3.653 20 5 GHBDMO C[NH+](C)/C=C/c1cc(NCCc2ccc(C(F)(F)F)nc2)ncc1[N+](=O)[O-] ZINC001155145137 1032434507 /nfs/dbraw/zinc/43/45/07/1032434507.db2.gz BEVQOYKGPCMCAG-SOFGYWHQSA-N 1 1 381.358 3.591 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4C[NH+]5CCC4CC5)ccc3c21 ZINC001227517105 1032448796 /nfs/dbraw/zinc/44/87/96/1032448796.db2.gz GOTIDZXZZBKFFQ-LJQANCHMSA-N 1 1 377.396 3.871 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2nccc(Cl)c2[N+](=O)[O-])O1 ZINC001228017531 1032738704 /nfs/dbraw/zinc/73/87/04/1032738704.db2.gz PGONOAVZGQSXFE-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2nccc(Cl)c2[N+](=O)[O-])O1 ZINC001228017531 1032738711 /nfs/dbraw/zinc/73/87/11/1032738711.db2.gz PGONOAVZGQSXFE-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](Cc4nccs4)C3)o2)cc1 ZINC000932207369 1018143065 /nfs/dbraw/zinc/14/30/65/1018143065.db2.gz RKNUYCPVFQNJRF-CYBMUJFWSA-N 1 1 385.449 3.556 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](Cc4nccs4)C3)o2)cc1 ZINC000932207369 1018143069 /nfs/dbraw/zinc/14/30/69/1018143069.db2.gz RKNUYCPVFQNJRF-CYBMUJFWSA-N 1 1 385.449 3.556 20 5 GHBDMO COc1cc(C[NH2+][C@H](c2ccccn2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000932380036 1018247789 /nfs/dbraw/zinc/24/77/89/1018247789.db2.gz QBKLWAYLYOWTLX-KRWDZBQOSA-N 1 1 379.363 3.841 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)ccc1[N+](=O)[O-] ZINC000933713514 1018885497 /nfs/dbraw/zinc/88/54/97/1018885497.db2.gz PJMMVYPWBKWLSJ-CYBMUJFWSA-N 1 1 396.369 3.792 20 5 GHBDMO C[C@@H]1CC2(CCC2)C[N@@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795449276 1021068049 /nfs/dbraw/zinc/06/80/49/1021068049.db2.gz ANCTYCXLESIDFV-LLVKDONJSA-N 1 1 394.269 3.535 20 5 GHBDMO C[C@@H]1CC2(CCC2)C[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795449276 1021068064 /nfs/dbraw/zinc/06/80/64/1021068064.db2.gz ANCTYCXLESIDFV-LLVKDONJSA-N 1 1 394.269 3.535 20 5 GHBDMO C[C@H]1CC2(CCC2)C[N@@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795449284 1021068411 /nfs/dbraw/zinc/06/84/11/1021068411.db2.gz ANCTYCXLESIDFV-NSHDSACASA-N 1 1 394.269 3.535 20 5 GHBDMO C[C@H]1CC2(CCC2)C[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795449284 1021068419 /nfs/dbraw/zinc/06/84/19/1021068419.db2.gz ANCTYCXLESIDFV-NSHDSACASA-N 1 1 394.269 3.535 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)c2nccc(C)c2[N+](=O)[O-])cc1 ZINC001156292996 1032963119 /nfs/dbraw/zinc/96/31/19/1032963119.db2.gz BWPRTVMXLGSALL-GOSISDBHSA-N 1 1 384.480 3.798 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1F ZINC000801526667 1021406463 /nfs/dbraw/zinc/40/64/63/1021406463.db2.gz VFYGDDPYYKQNME-CYBMUJFWSA-N 1 1 385.317 3.801 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1F ZINC000801526667 1021406472 /nfs/dbraw/zinc/40/64/72/1021406472.db2.gz VFYGDDPYYKQNME-CYBMUJFWSA-N 1 1 385.317 3.801 20 5 GHBDMO C[NH+](C)Cc1cc(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1Br ZINC001228548207 1032980945 /nfs/dbraw/zinc/98/09/45/1032980945.db2.gz LLORMTYGLGWMAX-KRWDZBQOSA-N 1 1 391.265 3.965 20 5 GHBDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001140390198 1021547818 /nfs/dbraw/zinc/54/78/18/1021547818.db2.gz GKTUXXANXVCDJO-SFHVURJKSA-N 1 1 390.871 3.643 20 5 GHBDMO COc1cc(C)nc(N(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001156341717 1032994400 /nfs/dbraw/zinc/99/44/00/1032994400.db2.gz NLARADYGEQIZTQ-YJBOKZPZSA-N 1 1 384.480 3.654 20 5 GHBDMO Cc1cc2[nH]c(O[C@H]3CCC[N@H+]([C@@H](C)c4ccccn4)C3)nc2cc1[N+](=O)[O-] ZINC001228674180 1033037424 /nfs/dbraw/zinc/03/74/24/1033037424.db2.gz INQSZQHIGSFFAM-GJZGRUSLSA-N 1 1 381.436 3.779 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000754361279 1022640355 /nfs/dbraw/zinc/64/03/55/1022640355.db2.gz RONJLENIJYDQNG-PVGBUVFQSA-N 1 1 379.460 3.731 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)ccc1[N+](=O)[O-] ZINC000755073201 1023061490 /nfs/dbraw/zinc/06/14/90/1023061490.db2.gz ZUEZGQKOLYCEOB-UHFFFAOYSA-N 1 1 375.400 3.571 20 5 GHBDMO C[C@@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755885322 1023421169 /nfs/dbraw/zinc/42/11/69/1023421169.db2.gz ZYESFJZYXPQZGU-XLIONFOSSA-N 1 1 382.460 3.981 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756929766 1023872854 /nfs/dbraw/zinc/87/28/54/1023872854.db2.gz VTAACAHCXQQQAM-CYBMUJFWSA-N 1 1 382.892 3.558 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000831384458 1024531719 /nfs/dbraw/zinc/53/17/19/1024531719.db2.gz FIQYLLFTFJBDPE-IRXDYDNUSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000831384458 1024531736 /nfs/dbraw/zinc/53/17/36/1024531736.db2.gz FIQYLLFTFJBDPE-IRXDYDNUSA-N 1 1 377.803 3.563 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1)CC1CC1 ZINC000831618784 1024685198 /nfs/dbraw/zinc/68/51/98/1024685198.db2.gz RZVZGGCVYXDINK-UHFFFAOYSA-N 1 1 377.460 3.708 20 5 GHBDMO CC[N@H+]1C[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156828537 1033262943 /nfs/dbraw/zinc/26/29/43/1033262943.db2.gz QVMJAFOCNSJNBM-FQEVSTJZSA-N 1 1 396.491 3.667 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]4CC5(CC[C@@H]43)OCCO5)co2)cc1 ZINC000832054475 1025187555 /nfs/dbraw/zinc/18/75/55/1025187555.db2.gz NGMQAWBWFYSAMA-APWZRJJASA-N 1 1 399.447 3.757 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c(F)c1 ZINC000839153483 1025654644 /nfs/dbraw/zinc/65/46/44/1025654644.db2.gz GLJQKOIQZJIKLW-LJQANCHMSA-N 1 1 380.366 3.958 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001162592175 1025815038 /nfs/dbraw/zinc/81/50/38/1025815038.db2.gz XNOFGMPCDSEJRC-GOSISDBHSA-N 1 1 395.381 3.663 20 5 GHBDMO Cn1cc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2Br)C(C)(C)C)cn1 ZINC000839544028 1026039231 /nfs/dbraw/zinc/03/92/31/1026039231.db2.gz OIQPAKZVDHEUFN-OAHLLOKOSA-N 1 1 381.274 3.968 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC001163681409 1026281756 /nfs/dbraw/zinc/28/17/56/1026281756.db2.gz QPERTYXFJYWBQH-GOSISDBHSA-N 1 1 376.460 3.896 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164036240 1026391371 /nfs/dbraw/zinc/39/13/71/1026391371.db2.gz CSYMGKPKJCVRST-SFHVURJKSA-N 1 1 384.436 3.994 20 5 GHBDMO O=[N+]([O-])c1cccnc1-c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001213199563 1028041866 /nfs/dbraw/zinc/04/18/66/1028041866.db2.gz CNCZRDJSDQOTNU-OAHLLOKOSA-N 1 1 392.350 3.578 20 5 GHBDMO C[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC001461325534 1069500942 /nfs/dbraw/zinc/50/09/42/1069500942.db2.gz WLWSFFRNTYIQBO-YOEHRIQHSA-N 1 1 391.418 3.949 20 5 GHBDMO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CN1Cc1ccccc1 ZINC001461325534 1069500947 /nfs/dbraw/zinc/50/09/47/1069500947.db2.gz WLWSFFRNTYIQBO-YOEHRIQHSA-N 1 1 391.418 3.949 20 5 GHBDMO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001213672434 1028319176 /nfs/dbraw/zinc/31/91/76/1028319176.db2.gz DTEZBYVTFJGXCM-UHFFFAOYSA-N 1 1 382.420 3.812 20 5 GHBDMO O=[N+]([O-])c1cncc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)c1 ZINC001213823753 1028391586 /nfs/dbraw/zinc/39/15/86/1028391586.db2.gz LBTFURJYBOKTSO-QGZVFWFLSA-N 1 1 392.350 3.578 20 5 GHBDMO COc1ccc(F)cc1-c1noc(-c2cc(-n3cc[nH+]c3C)ccc2[N+](=O)[O-])n1 ZINC001216553327 1029684278 /nfs/dbraw/zinc/68/42/78/1029684278.db2.gz ZHMWSFNTIHFTRV-UHFFFAOYSA-N 1 1 395.350 3.954 20 5 GHBDMO C[C@H](OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001222929569 1030355443 /nfs/dbraw/zinc/35/54/43/1030355443.db2.gz PLGHZARMWCGVDE-YWZLYKJASA-N 1 1 397.431 3.542 20 5 GHBDMO C[C@H](OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001222929569 1030355464 /nfs/dbraw/zinc/35/54/64/1030355464.db2.gz PLGHZARMWCGVDE-YWZLYKJASA-N 1 1 397.431 3.542 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001461695386 1069683816 /nfs/dbraw/zinc/68/38/16/1069683816.db2.gz NZRVXPKXSLNUPG-OKILXGFUSA-N 1 1 389.477 3.928 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001224846100 1031148340 /nfs/dbraw/zinc/14/83/40/1031148340.db2.gz SGXOZEVRPXDIGH-IYBDPMFKSA-N 1 1 390.528 3.886 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224988520 1031202030 /nfs/dbraw/zinc/20/20/30/1031202030.db2.gz DAXZWGWMSQFWHG-LAUBAEHRSA-N 1 1 398.459 3.565 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001225451328 1031421974 /nfs/dbraw/zinc/42/19/74/1031421974.db2.gz QOHMMWINPCFDPH-HNAYVOBHSA-N 1 1 384.432 3.671 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001225593826 1031495712 /nfs/dbraw/zinc/49/57/12/1031495712.db2.gz AGLDBKPQNOHABS-LSDHHAIUSA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001225593826 1031495723 /nfs/dbraw/zinc/49/57/23/1031495723.db2.gz AGLDBKPQNOHABS-LSDHHAIUSA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1ccc(N2CCC[C@@H](Oc3ncc(Br)cc3[N+](=O)[O-])C2)[nH+]c1 ZINC001225750250 1031578704 /nfs/dbraw/zinc/57/87/04/1031578704.db2.gz KVVGXPHYLPJKQS-CYBMUJFWSA-N 1 1 393.241 3.504 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225893082 1031679833 /nfs/dbraw/zinc/67/98/33/1031679833.db2.gz LSVWPERXVFNVRI-DGCLKSJQSA-N 1 1 382.342 3.618 20 5 GHBDMO O=[N+]([O-])c1cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)cc1F ZINC001226181517 1031836083 /nfs/dbraw/zinc/83/60/83/1031836083.db2.gz QALVLHKRUIBJMK-HNNXBMFYSA-N 1 1 378.375 3.543 20 5 GHBDMO C[N@H+]1C[C@@H]2CC[C@@H](NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C1 ZINC001461831305 1069777868 /nfs/dbraw/zinc/77/78/68/1069777868.db2.gz PNLBIKDOXJDOID-AFAVFJNCSA-N 1 1 375.856 3.938 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001229402230 1033458981 /nfs/dbraw/zinc/45/89/81/1033458981.db2.gz ISIMBBUHCKKKCB-OZOXKJRCSA-N 1 1 390.443 3.827 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001229402227 1033459435 /nfs/dbraw/zinc/45/94/35/1033459435.db2.gz ISIMBBUHCKKKCB-LDQXTDLNSA-N 1 1 390.443 3.827 20 5 GHBDMO CC[C@@H](COC)Oc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229806795 1033731755 /nfs/dbraw/zinc/73/17/55/1033731755.db2.gz BFMQUXZHCGAAHG-INIZCTEOSA-N 1 1 381.476 3.692 20 5 GHBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]1[N@H+]2C ZINC001230941541 1034300447 /nfs/dbraw/zinc/30/04/47/1034300447.db2.gz URWXTNYQSBEXMG-VXSCBNMQSA-N 1 1 396.443 3.807 20 5 GHBDMO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC001207393202 1034338611 /nfs/dbraw/zinc/33/86/11/1034338611.db2.gz ORJCMDRXNSCHJQ-MRXNPFEDSA-N 1 1 375.812 3.540 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231052843 1034366981 /nfs/dbraw/zinc/36/69/81/1034366981.db2.gz FTYKPIIEIYJLAW-BEFAXECRSA-N 1 1 378.432 3.827 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001207735862 1034549099 /nfs/dbraw/zinc/54/90/99/1034549099.db2.gz SSWDOXIFYUNQFY-CRAIPNDOSA-N 1 1 380.366 3.649 20 5 GHBDMO COc1ccc(F)cc1C[NH+]1CCC(Nc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC001161153382 1035162112 /nfs/dbraw/zinc/16/21/12/1035162112.db2.gz RAGHWWHTEWYHGB-UHFFFAOYSA-N 1 1 388.443 3.831 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC001161180256 1035167952 /nfs/dbraw/zinc/16/79/52/1035167952.db2.gz ALCWDLLALXCXMY-HNNXBMFYSA-N 1 1 383.839 3.878 20 5 GHBDMO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232221825 1035169965 /nfs/dbraw/zinc/16/99/65/1035169965.db2.gz DMJVGBRKASXKIP-NFBKMPQASA-N 1 1 377.488 3.801 20 5 GHBDMO c1ccc(C[NH+]2C[C@H]3CN(Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)nc1 ZINC001232221802 1035170331 /nfs/dbraw/zinc/17/03/31/1035170331.db2.gz CUAJVGKWSHSKKB-SFTDATJTSA-N 1 1 395.510 3.742 20 5 GHBDMO COc1cc(O[C@H]2CC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)ccn1 ZINC001232227039 1035172164 /nfs/dbraw/zinc/17/21/64/1035172164.db2.gz FCUQMFUHSBYXJC-FQEVSTJZSA-N 1 1 386.455 3.840 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCN[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001246810335 1037644909 /nfs/dbraw/zinc/64/49/09/1037644909.db2.gz KNFXOHKMUYEING-AUUYWEPGSA-N 1 1 389.883 3.834 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCN[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001246810335 1037644919 /nfs/dbraw/zinc/64/49/19/1037644919.db2.gz KNFXOHKMUYEING-AUUYWEPGSA-N 1 1 389.883 3.834 20 5 GHBDMO COc1ccc(C[C@@H](C)[NH+]2CCC3(CC2)NCCc2ccccc23)c([N+](=O)[O-])c1 ZINC001246999954 1037823475 /nfs/dbraw/zinc/82/34/75/1037823475.db2.gz CSXZPGFXCZMVSL-QGZVFWFLSA-N 1 1 395.503 3.671 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H]3CCCC[C@]32c2ccccc2)c1 ZINC001253173483 1039461802 /nfs/dbraw/zinc/46/18/02/1039461802.db2.gz OKYKGPJQDAQGHZ-UZKOGDIHSA-N 1 1 382.460 3.736 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2cc(F)c([N+](=O)[O-])cc2F)O1 ZINC001233601985 1039475222 /nfs/dbraw/zinc/47/52/22/1039475222.db2.gz ZUZLEZCCIYWZJB-OAHLLOKOSA-N 1 1 392.402 3.931 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2cc(F)c([N+](=O)[O-])cc2F)O1 ZINC001233601985 1039475225 /nfs/dbraw/zinc/47/52/25/1039475225.db2.gz ZUZLEZCCIYWZJB-OAHLLOKOSA-N 1 1 392.402 3.931 20 5 GHBDMO CN(C(=O)C[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001253404228 1039604358 /nfs/dbraw/zinc/60/43/58/1039604358.db2.gz RONQEIVWRKZPSZ-PGRDOPGGSA-N 1 1 379.460 3.959 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3(c4ccccc4Cl)COC3)CC2)cc1 ZINC001254469795 1040255564 /nfs/dbraw/zinc/25/55/64/1040255564.db2.gz GLNCMNPITJWXQH-UHFFFAOYSA-N 1 1 387.867 3.732 20 5 GHBDMO COc1ccc(CC[N@@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC001254476026 1040262050 /nfs/dbraw/zinc/26/20/50/1040262050.db2.gz JRCMWDDIDMWUGO-UHFFFAOYSA-N 1 1 399.491 3.755 20 5 GHBDMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478610 1040264287 /nfs/dbraw/zinc/26/42/87/1040264287.db2.gz HYDSJQGFRMRVMX-IBGZPJMESA-N 1 1 394.519 3.770 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478610 1040264302 /nfs/dbraw/zinc/26/43/02/1040264302.db2.gz HYDSJQGFRMRVMX-IBGZPJMESA-N 1 1 394.519 3.770 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478610 1040264312 /nfs/dbraw/zinc/26/43/12/1040264312.db2.gz HYDSJQGFRMRVMX-IBGZPJMESA-N 1 1 394.519 3.770 20 5 GHBDMO CC(C)c1noc([C@@H]2CCC[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)n1 ZINC001254479982 1040267210 /nfs/dbraw/zinc/26/72/10/1040267210.db2.gz SMUVLYGMPBIOKP-MRXNPFEDSA-N 1 1 399.495 3.950 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](Oc4cccc(F)c4)C3)CC2)cc1 ZINC001254481862 1040270429 /nfs/dbraw/zinc/27/04/29/1040270429.db2.gz FBECTTNMXZNICC-OAQYLSRUSA-N 1 1 385.439 3.856 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)c1ccc(Br)cc1 ZINC001254539912 1040310350 /nfs/dbraw/zinc/31/03/50/1040310350.db2.gz LVRDVYYJTUCMES-LRDDRELGSA-N 1 1 378.270 3.578 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254553120 1040320535 /nfs/dbraw/zinc/32/05/35/1040320535.db2.gz STAXDHOIMNBLNN-DOTOQJQBSA-N 1 1 389.496 3.715 20 5 GHBDMO CC(C)COC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(C)c21 ZINC001254560860 1040333509 /nfs/dbraw/zinc/33/35/09/1040333509.db2.gz HXZWFCOVQGFGKY-WMZOPIPTSA-N 1 1 386.496 3.531 20 5 GHBDMO CC(C)COC[C@@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(C)c21 ZINC001254560860 1040333529 /nfs/dbraw/zinc/33/35/29/1040333529.db2.gz HXZWFCOVQGFGKY-WMZOPIPTSA-N 1 1 386.496 3.531 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001254562380 1040337348 /nfs/dbraw/zinc/33/73/48/1040337348.db2.gz LIGBBRAKVGYOKK-AWEZNQCLSA-N 1 1 394.397 3.762 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001254569065 1040345489 /nfs/dbraw/zinc/34/54/89/1040345489.db2.gz HLJLZTZSHHKRML-BFYDXBDKSA-N 1 1 377.485 3.903 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C1)C2 ZINC001254594988 1040367909 /nfs/dbraw/zinc/36/79/09/1040367909.db2.gz UNYQDZJSYBWADW-JQERWDHBSA-N 1 1 397.500 3.858 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254595763 1040369347 /nfs/dbraw/zinc/36/93/47/1040369347.db2.gz ZMCAGPMPSWOCIK-SFHVURJKSA-N 1 1 387.480 3.537 20 5 GHBDMO C[N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604315 1040374274 /nfs/dbraw/zinc/37/42/74/1040374274.db2.gz VIKICRCMXHSHLQ-BEFAXECRSA-N 1 1 389.496 3.641 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603498 1040375463 /nfs/dbraw/zinc/37/54/63/1040375463.db2.gz NUNRFFUCFVVCCN-SFNKJDCFSA-N 1 1 387.480 3.582 20 5 GHBDMO C[C@@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001255293920 1040939650 /nfs/dbraw/zinc/93/96/50/1040939650.db2.gz VPXOFSNNFUNXEZ-UZLBHIALSA-N 1 1 382.464 3.572 20 5 GHBDMO O=[N+]([O-])c1cccc2c(-c3nnc([C@H]4CC[N@@H+](Cc5ccccc5)C4)o3)n[nH]c21 ZINC001255396410 1040983107 /nfs/dbraw/zinc/98/31/07/1040983107.db2.gz NTWBMOLAHOOMEK-AWEZNQCLSA-N 1 1 390.403 3.511 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255444948 1041045785 /nfs/dbraw/zinc/04/57/85/1041045785.db2.gz GWSQZZLYQQXBAN-KRWDZBQOSA-N 1 1 378.432 3.867 20 5 GHBDMO COc1cc(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)ccc1[N+](=O)[O-] ZINC001255446366 1041048417 /nfs/dbraw/zinc/04/84/17/1041048417.db2.gz VUONQZGQFICSFU-KRWDZBQOSA-N 1 1 394.431 3.567 20 5 GHBDMO COc1cc(C)c([N+](=O)[O-])cc1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255486927 1041084664 /nfs/dbraw/zinc/08/46/64/1041084664.db2.gz MEMWHMJBZNIPBG-INIZCTEOSA-N 1 1 394.431 3.951 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])c(-c2nnc(Cc3ccccc3F)o2)c1 ZINC001255860744 1041352840 /nfs/dbraw/zinc/35/28/40/1041352840.db2.gz NVDXQDCBTJEGBP-UHFFFAOYSA-N 1 1 379.351 3.869 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001292097139 1043592121 /nfs/dbraw/zinc/59/21/21/1043592121.db2.gz IMEHKXPFHAZPPX-BETUJISGSA-N 1 1 399.894 3.803 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001263627860 1047004445 /nfs/dbraw/zinc/00/44/45/1047004445.db2.gz YYMUVBHXSUUNEI-MRXNPFEDSA-N 1 1 398.463 3.732 20 5 GHBDMO C[C@]12CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001303368648 1047374765 /nfs/dbraw/zinc/37/47/65/1047374765.db2.gz ZWFBNJFGZYRLOE-IERDGZPVSA-N 1 1 399.878 3.842 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCCOc2ccc(Cl)cc2)c1 ZINC001307420694 1049258731 /nfs/dbraw/zinc/25/87/31/1049258731.db2.gz PCAYISSBURSFBG-UHFFFAOYSA-N 1 1 392.839 3.936 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCCOc2ccc(Cl)cc2)c1 ZINC001307420694 1049258744 /nfs/dbraw/zinc/25/87/44/1049258744.db2.gz PCAYISSBURSFBG-UHFFFAOYSA-N 1 1 392.839 3.936 20 5 GHBDMO COc1ccc(OCCN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001307460560 1049295626 /nfs/dbraw/zinc/29/56/26/1049295626.db2.gz SBEMKQOZPAVYOE-UHFFFAOYSA-N 1 1 399.491 3.579 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC001307658156 1049483568 /nfs/dbraw/zinc/48/35/68/1049483568.db2.gz ROLIPWLWFXNFQC-UHFFFAOYSA-N 1 1 391.265 3.841 20 5 GHBDMO C[N@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC001307779413 1049585970 /nfs/dbraw/zinc/58/59/70/1049585970.db2.gz LNKAHMBGKPOKIS-UHFFFAOYSA-N 1 1 382.302 3.808 20 5 GHBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001307869402 1049650820 /nfs/dbraw/zinc/65/08/20/1049650820.db2.gz FMTCXSCEZCWDGO-NRFANRHFSA-N 1 1 383.492 3.959 20 5 GHBDMO CC(C)N(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307869402 1049650824 /nfs/dbraw/zinc/65/08/24/1049650824.db2.gz FMTCXSCEZCWDGO-NRFANRHFSA-N 1 1 383.492 3.959 20 5 GHBDMO CC(C)N(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307869402 1049650829 /nfs/dbraw/zinc/65/08/29/1049650829.db2.gz FMTCXSCEZCWDGO-NRFANRHFSA-N 1 1 383.492 3.959 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001307896655 1049674968 /nfs/dbraw/zinc/67/49/68/1049674968.db2.gz OFJYEBWIPAWYRK-LJQANCHMSA-N 1 1 376.840 3.611 20 5 GHBDMO Cc1noc(C[N@H+]2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001308028726 1049778993 /nfs/dbraw/zinc/77/89/93/1049778993.db2.gz ZIZVRILHDJXXSH-IBGZPJMESA-N 1 1 396.488 3.654 20 5 GHBDMO CC[N@@H+]1CCc2nc(NC(=O)CCc3c(Cl)cccc3[N+](=O)[O-])sc2C1 ZINC001290284353 1049791002 /nfs/dbraw/zinc/79/10/02/1049791002.db2.gz LUSZQFDBGCETSZ-UHFFFAOYSA-N 1 1 394.884 3.654 20 5 GHBDMO CC[N@H+]1CCc2nc(NC(=O)CCc3c(Cl)cccc3[N+](=O)[O-])sc2C1 ZINC001290284353 1049791009 /nfs/dbraw/zinc/79/10/09/1049791009.db2.gz LUSZQFDBGCETSZ-UHFFFAOYSA-N 1 1 394.884 3.654 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001290524341 1049870173 /nfs/dbraw/zinc/87/01/73/1049870173.db2.gz ZKHVEDSRONNMTH-UHFFFAOYSA-N 1 1 389.402 3.530 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001290524341 1049870184 /nfs/dbraw/zinc/87/01/84/1049870184.db2.gz ZKHVEDSRONNMTH-UHFFFAOYSA-N 1 1 389.402 3.530 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC001308823649 1050109019 /nfs/dbraw/zinc/10/90/19/1050109019.db2.gz GSNHAUNQLVSNFX-HZPDHXFCSA-N 1 1 378.469 3.793 20 5 GHBDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308825062 1050109534 /nfs/dbraw/zinc/10/95/34/1050109534.db2.gz ILEYVTMCYBPWTL-OLZOCXBDSA-N 1 1 375.425 3.678 20 5 GHBDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308825062 1050109542 /nfs/dbraw/zinc/10/95/42/1050109542.db2.gz ILEYVTMCYBPWTL-OLZOCXBDSA-N 1 1 375.425 3.678 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCN1C1CCC1 ZINC001328714981 1050603452 /nfs/dbraw/zinc/60/34/52/1050603452.db2.gz BGEQVRUKPBMQMN-INIZCTEOSA-N 1 1 389.839 3.751 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001310261505 1051255484 /nfs/dbraw/zinc/25/54/84/1051255484.db2.gz JHDKEDINGAUHAI-DYVFJYSZSA-N 1 1 388.855 3.890 20 5 GHBDMO C[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001312253731 1052662380 /nfs/dbraw/zinc/66/23/80/1052662380.db2.gz LWLUVPHXNALMJC-ZIFCJYIRSA-N 1 1 396.491 3.661 20 5 GHBDMO CC[N@@H+](CCCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001312963649 1052921206 /nfs/dbraw/zinc/92/12/06/1052921206.db2.gz IXKIGDASDRENPK-UHFFFAOYSA-N 1 1 376.501 3.781 20 5 GHBDMO O=C(CSCc1cccs1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001343445040 1053774959 /nfs/dbraw/zinc/77/49/59/1053774959.db2.gz WMCFQZRMUDBWAM-INIZCTEOSA-N 1 1 392.502 3.707 20 5 GHBDMO O=C(CSCc1cccs1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001343445040 1053774966 /nfs/dbraw/zinc/77/49/66/1053774966.db2.gz WMCFQZRMUDBWAM-INIZCTEOSA-N 1 1 392.502 3.707 20 5 GHBDMO CC(C)CNC(=O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001318699997 1054805122 /nfs/dbraw/zinc/80/51/22/1054805122.db2.gz HAYZKBKSGXVNQV-UHFFFAOYSA-N 1 1 391.855 3.902 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)nc2c1 ZINC001320830241 1055978249 /nfs/dbraw/zinc/97/82/49/1055978249.db2.gz JUOOLXGNDYUGPO-CYBMUJFWSA-N 1 1 376.420 3.727 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)nc2c1 ZINC001320830241 1055978252 /nfs/dbraw/zinc/97/82/52/1055978252.db2.gz JUOOLXGNDYUGPO-CYBMUJFWSA-N 1 1 376.420 3.727 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477260 1057114648 /nfs/dbraw/zinc/11/46/48/1057114648.db2.gz SDVUEASHLVSEKS-QUCCMNQESA-N 1 1 395.459 3.714 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477260 1057114650 /nfs/dbraw/zinc/11/46/50/1057114650.db2.gz SDVUEASHLVSEKS-QUCCMNQESA-N 1 1 395.459 3.714 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000848480564 1057118384 /nfs/dbraw/zinc/11/83/84/1057118384.db2.gz REBJXQWRLMPARG-IBGZPJMESA-N 1 1 392.459 3.955 20 5 GHBDMO CCc1ccc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001356357508 1057487376 /nfs/dbraw/zinc/48/73/76/1057487376.db2.gz WFUMJZYLJOPLHA-SJORKVTESA-N 1 1 381.476 3.892 20 5 GHBDMO CCc1ccc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001356357508 1057487383 /nfs/dbraw/zinc/48/73/83/1057487383.db2.gz WFUMJZYLJOPLHA-SJORKVTESA-N 1 1 381.476 3.892 20 5 GHBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001441291003 1058743434 /nfs/dbraw/zinc/74/34/34/1058743434.db2.gz BMVWHQXXZHWQEG-UHFFFAOYSA-N 1 1 391.830 3.566 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC001449891263 1060477549 /nfs/dbraw/zinc/47/75/49/1060477549.db2.gz JBXXJOHRIRNTPI-HNNXBMFYSA-N 1 1 377.510 3.552 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001453493879 1061142578 /nfs/dbraw/zinc/14/25/78/1061142578.db2.gz IICPYWGCPHCEIK-HXUWFJFHSA-N 1 1 381.476 3.886 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001454842396 1061944552 /nfs/dbraw/zinc/94/45/52/1061944552.db2.gz DZFAHGGRZKWFQL-RHSMWYFYSA-N 1 1 377.510 3.653 20 5 GHBDMO C[C@H](c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC001435094473 1062288890 /nfs/dbraw/zinc/28/88/90/1062288890.db2.gz ZWFQBAQVPHZUJX-LPTQZCDUSA-N 1 1 395.459 3.730 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC001435307597 1062490717 /nfs/dbraw/zinc/49/07/17/1062490717.db2.gz IBKZEVUDYZSRDT-FQEVSTJZSA-N 1 1 396.491 3.570 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001457086527 1062971593 /nfs/dbraw/zinc/97/15/93/1062971593.db2.gz BERCBDGONFNZDE-HNAYVOBHSA-N 1 1 385.439 3.683 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001458341383 1063755574 /nfs/dbraw/zinc/75/55/74/1063755574.db2.gz NXDYZSVXQCWLGB-IBGZPJMESA-N 1 1 385.464 3.950 20 5 GHBDMO COC(=O)/C=C/c1ccc(NC[C@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC001458346100 1063757501 /nfs/dbraw/zinc/75/75/01/1063757501.db2.gz XBFRLBZQJUXFBC-NCUBBLFSSA-N 1 1 387.480 3.990 20 5 GHBDMO CC[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCCC1 ZINC001437410453 1063850160 /nfs/dbraw/zinc/85/01/60/1063850160.db2.gz LOTRJQBZBUIAOV-UHFFFAOYSA-N 1 1 399.438 3.971 20 5 GHBDMO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001459314278 1064058847 /nfs/dbraw/zinc/05/88/47/1064058847.db2.gz QHLKAFXWPJNXDO-UHFFFAOYSA-N 1 1 397.475 3.872 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC001459582167 1064133756 /nfs/dbraw/zinc/13/37/56/1064133756.db2.gz MLCUWDFFYCQKSS-OALUTQOASA-N 1 1 389.496 3.983 20 5 GHBDMO C[C@]12CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001439111711 1064178067 /nfs/dbraw/zinc/17/80/67/1064178067.db2.gz RSCXBOXEXNHZDC-TZZZPNCGSA-N 1 1 391.471 3.589 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001464155016 1064868259 /nfs/dbraw/zinc/86/82/59/1064868259.db2.gz IRSLDWNHBGWUHN-INIZCTEOSA-N 1 1 399.466 3.825 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3ccc(F)cc3[N+](=O)[O-])cc2)C1 ZINC001464154010 1064869433 /nfs/dbraw/zinc/86/94/33/1064869433.db2.gz LZVPRLAIWXAYMF-INIZCTEOSA-N 1 1 399.466 3.825 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001465072605 1065372401 /nfs/dbraw/zinc/37/24/01/1065372401.db2.gz BUKDSYPNLYBTBF-HNNXBMFYSA-N 1 1 386.477 3.737 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC001473544555 1067564404 /nfs/dbraw/zinc/56/44/04/1067564404.db2.gz CPOIQROMONJSRI-WMZOPIPTSA-N 1 1 393.528 3.943 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC001473544552 1067564417 /nfs/dbraw/zinc/56/44/17/1067564417.db2.gz CPOIQROMONJSRI-AEFFLSMTSA-N 1 1 393.528 3.943 20 5 GHBDMO C[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC12CCCCC2 ZINC001468226174 1067639915 /nfs/dbraw/zinc/63/99/15/1067639915.db2.gz YYDZOLODLOYFGK-UHFFFAOYSA-N 1 1 397.928 3.817 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc4cc[nH]c4c3)C2)cc1 ZINC001460134802 1068803475 /nfs/dbraw/zinc/80/34/75/1068803475.db2.gz YNOJBDDBUYONNL-AZUAARDMSA-N 1 1 395.459 3.695 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC001460181838 1068839974 /nfs/dbraw/zinc/83/99/74/1068839974.db2.gz ZHJHOBHSVNXRIT-QAPCUYQASA-N 1 1 397.475 3.982 20 5 GHBDMO CCc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC001460181838 1068839986 /nfs/dbraw/zinc/83/99/86/1068839986.db2.gz ZHJHOBHSVNXRIT-QAPCUYQASA-N 1 1 397.475 3.982 20 5 GHBDMO COC(=O)c1ccc(N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)s1 ZINC001460210176 1068862241 /nfs/dbraw/zinc/86/22/41/1068862241.db2.gz UJQUCWHXHLSQTP-CQSZACIVSA-N 1 1 389.477 3.635 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1COc2ccccc2O1)[C@H]1CC[C@H](O)CC1 ZINC001460303029 1068915452 /nfs/dbraw/zinc/91/54/52/1068915452.db2.gz JEBUOLNQRWMYFW-FHWLQOOXSA-N 1 1 398.459 3.540 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC001460480524 1068975445 /nfs/dbraw/zinc/97/54/45/1068975445.db2.gz GLRPGPJKDDKIOU-INIZCTEOSA-N 1 1 397.422 3.895 20 5 GHBDMO Cc1ccc(CN2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC001460693411 1069091681 /nfs/dbraw/zinc/09/16/81/1069091681.db2.gz LPXWQOYZJTXBIP-WMZHIEFXSA-N 1 1 395.503 3.769 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC001460693411 1069091685 /nfs/dbraw/zinc/09/16/85/1069091685.db2.gz LPXWQOYZJTXBIP-WMZHIEFXSA-N 1 1 395.503 3.769 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC001460693411 1069091688 /nfs/dbraw/zinc/09/16/88/1069091688.db2.gz LPXWQOYZJTXBIP-WMZHIEFXSA-N 1 1 395.503 3.769 20 5 GHBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001478747086 1078974548 /nfs/dbraw/zinc/97/45/48/1078974548.db2.gz WQQYBMMFSLUORO-SJLPKXTDSA-N 1 1 376.501 3.604 20 5 GHBDMO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC001471243257 1072980846 /nfs/dbraw/zinc/98/08/46/1072980846.db2.gz PYGSHOVQTAWHNZ-SFHVURJKSA-N 1 1 385.439 3.571 20 5 GHBDMO C[C@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001471326913 1073019998 /nfs/dbraw/zinc/01/99/98/1073019998.db2.gz LZJMLYZHPLESKM-MSOLQXFVSA-N 1 1 396.491 3.962 20 5 GHBDMO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(F)c1 ZINC001472722242 1073636371 /nfs/dbraw/zinc/63/63/71/1073636371.db2.gz MDIIUDROXUWQRJ-UHFFFAOYSA-N 1 1 378.835 3.621 20 5 GHBDMO CCc1cc(N2CC[N@H+](C3CC3)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472793514 1073668604 /nfs/dbraw/zinc/66/86/04/1073668604.db2.gz DUBFNWYKMZWLNU-HNNXBMFYSA-N 1 1 381.480 3.535 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001473203616 1073856333 /nfs/dbraw/zinc/85/63/33/1073856333.db2.gz GZQJDRHGAOSWIW-SFHVURJKSA-N 1 1 399.491 3.810 20 5 GHBDMO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC001473233527 1073879027 /nfs/dbraw/zinc/87/90/27/1073879027.db2.gz PHJHKGUQBFSFHA-GOSISDBHSA-N 1 1 390.867 3.961 20 5 GHBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001473427315 1073960281 /nfs/dbraw/zinc/96/02/81/1073960281.db2.gz XNQGBKORIJLIAY-QGZVFWFLSA-N 1 1 399.285 3.769 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001473612650 1074048536 /nfs/dbraw/zinc/04/85/36/1074048536.db2.gz YXQTWBRVOWFFHY-OAHLLOKOSA-N 1 1 383.448 3.594 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001473612650 1074048547 /nfs/dbraw/zinc/04/85/47/1074048547.db2.gz YXQTWBRVOWFFHY-OAHLLOKOSA-N 1 1 383.448 3.594 20 5 GHBDMO O=C(CC1CCCCC1)NCC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001473998896 1074231049 /nfs/dbraw/zinc/23/10/49/1074231049.db2.gz JLFFLPDRGGMDPC-UHFFFAOYSA-N 1 1 398.301 3.534 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001474368055 1074366252 /nfs/dbraw/zinc/36/62/52/1074366252.db2.gz GCYFFBDXKWSJCF-KRWDZBQOSA-N 1 1 386.427 3.747 20 5 GHBDMO CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825419134 608549456 /nfs/dbraw/zinc/54/94/56/608549456.db2.gz IDEVHXYQPOTAJW-DDJMYBDESA-N 1 1 378.436 3.871 20 5 GHBDMO CC(C)Oc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164628837 719101925 /nfs/dbraw/zinc/10/19/25/719101925.db2.gz OZEQCODMVARQPJ-AZUAARDMSA-N 1 1 396.491 3.878 20 5 GHBDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180649810 837421906 /nfs/dbraw/zinc/42/19/06/837421906.db2.gz MHYGTIWNVGKMQS-JXFKEZNVSA-N 1 1 396.447 3.534 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176931598 837604140 /nfs/dbraw/zinc/60/41/40/837604140.db2.gz JLKUHALQEPFIBX-WBVHZDCISA-N 1 1 398.463 3.778 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000173471857 837714990 /nfs/dbraw/zinc/71/49/90/837714990.db2.gz QCCNBYUAALYPKF-HNNXBMFYSA-N 1 1 399.838 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000173471857 837714997 /nfs/dbraw/zinc/71/49/97/837714997.db2.gz QCCNBYUAALYPKF-HNNXBMFYSA-N 1 1 399.838 3.985 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000176723436 837725339 /nfs/dbraw/zinc/72/53/39/837725339.db2.gz QXUMLWWXBYYCOQ-SFHVURJKSA-N 1 1 396.491 3.882 20 5 GHBDMO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000579767973 834609993 /nfs/dbraw/zinc/60/99/93/834609993.db2.gz OSXCYPILQHKSNP-GOSISDBHSA-N 1 1 387.436 3.634 20 5 GHBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000579767973 834609998 /nfs/dbraw/zinc/60/99/98/834609998.db2.gz OSXCYPILQHKSNP-GOSISDBHSA-N 1 1 387.436 3.634 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175282699 834695083 /nfs/dbraw/zinc/69/50/83/834695083.db2.gz LEHLGYQMJQEYTN-KRWDZBQOSA-N 1 1 385.439 3.718 20 5 GHBDMO CSc1cccc(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186888460 834698134 /nfs/dbraw/zinc/69/81/34/834698134.db2.gz QHBLUBWLAJHTJN-UHFFFAOYSA-N 1 1 387.505 3.957 20 5 GHBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)cn1 ZINC000093869924 834707376 /nfs/dbraw/zinc/70/73/76/834707376.db2.gz DPQOMVFEKFBQBE-CQSZACIVSA-N 1 1 383.477 3.516 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278378309 834888073 /nfs/dbraw/zinc/88/80/73/834888073.db2.gz SPRRSYBWQNULHZ-MRXNPFEDSA-N 1 1 375.472 3.840 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]C[C@@H](CC(C)C)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000608835793 834951314 /nfs/dbraw/zinc/95/13/14/834951314.db2.gz RJDPVTRDSOGGOS-OAHLLOKOSA-N 1 1 375.469 3.929 20 5 GHBDMO C[C@@H](CCSc1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000431596293 835083733 /nfs/dbraw/zinc/08/37/33/835083733.db2.gz NTIZAWDXQXYDOC-KRWDZBQOSA-N 1 1 399.516 3.924 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188049314 835355972 /nfs/dbraw/zinc/35/59/72/835355972.db2.gz JRUACNBHZSELGM-INIZCTEOSA-N 1 1 385.489 3.711 20 5 GHBDMO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177030736 835505521 /nfs/dbraw/zinc/50/55/21/835505521.db2.gz IXKIKIXCBUZMLI-HNNXBMFYSA-N 1 1 388.468 3.645 20 5 GHBDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177030736 835505526 /nfs/dbraw/zinc/50/55/26/835505526.db2.gz IXKIKIXCBUZMLI-HNNXBMFYSA-N 1 1 388.468 3.645 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000033873453 835570218 /nfs/dbraw/zinc/57/02/18/835570218.db2.gz TVMOWPYVFQYIEX-AYHJJNSGSA-N 1 1 395.459 3.529 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000612131693 835580271 /nfs/dbraw/zinc/58/02/71/835580271.db2.gz BUOLXGFIYGOTTC-CEWLAPEOSA-N 1 1 379.460 3.625 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000279935164 844073506 /nfs/dbraw/zinc/07/35/06/844073506.db2.gz HIKZPBCGTWLPRN-UHFFFAOYSA-N 1 1 393.827 3.579 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1Cl ZINC000179547526 835867346 /nfs/dbraw/zinc/86/73/46/835867346.db2.gz KVTYUMWWMRRLMS-SFHVURJKSA-N 1 1 398.850 3.829 20 5 GHBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015477220 836044608 /nfs/dbraw/zinc/04/46/08/836044608.db2.gz PNZFUBPOGMMRBU-QGZVFWFLSA-N 1 1 389.477 3.623 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000535629003 836062290 /nfs/dbraw/zinc/06/22/90/836062290.db2.gz NEQKZSKRBVRGEM-HNNXBMFYSA-N 1 1 385.464 3.661 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000173695540 836252913 /nfs/dbraw/zinc/25/29/13/836252913.db2.gz FBRSETAOQWFBBB-AWEZNQCLSA-N 1 1 382.420 3.716 20 5 GHBDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000175371859 836301437 /nfs/dbraw/zinc/30/14/37/836301437.db2.gz VFEHOAVMZVKUDK-WZQKQDCOSA-N 1 1 376.478 3.794 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000174123888 836384437 /nfs/dbraw/zinc/38/44/37/836384437.db2.gz BZGGWZIGQUOIPV-INIZCTEOSA-N 1 1 398.463 3.732 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246956978 836487961 /nfs/dbraw/zinc/48/79/61/836487961.db2.gz AXMOHDBJHCRNSQ-HIFRSBDPSA-N 1 1 387.402 3.779 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000612611347 836492639 /nfs/dbraw/zinc/49/26/39/836492639.db2.gz ORIPLYHTKMAKPM-INIZCTEOSA-N 1 1 386.427 3.768 20 5 GHBDMO CC[N@@H+]1CC[C@H](CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000120795585 836523734 /nfs/dbraw/zinc/52/37/34/836523734.db2.gz ZCKICOIANRXUKA-LJQANCHMSA-N 1 1 399.491 3.614 20 5 GHBDMO CC[N@H+]1CC[C@H](CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000120795585 836523741 /nfs/dbraw/zinc/52/37/41/836523741.db2.gz ZCKICOIANRXUKA-LJQANCHMSA-N 1 1 399.491 3.614 20 5 GHBDMO Cc1sc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510170962 836589872 /nfs/dbraw/zinc/58/98/72/836589872.db2.gz ZUXDMJXHKDSZEZ-PBHICJAKSA-N 1 1 387.505 3.995 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000376044485 836639899 /nfs/dbraw/zinc/63/98/99/836639899.db2.gz SYCYCSRXTYCLBR-CQSZACIVSA-N 1 1 387.411 3.611 20 5 GHBDMO Cc1cc(F)cc(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)c1[N+](=O)[O-] ZINC000893839990 844188977 /nfs/dbraw/zinc/18/89/77/844188977.db2.gz FYQJIWVPLYWKMA-SFHVURJKSA-N 1 1 398.438 3.579 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000053128500 836773022 /nfs/dbraw/zinc/77/30/22/836773022.db2.gz STAOXAYBIKHSQA-UHFFFAOYSA-N 1 1 389.839 3.860 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000053128500 836773026 /nfs/dbraw/zinc/77/30/26/836773026.db2.gz STAOXAYBIKHSQA-UHFFFAOYSA-N 1 1 389.839 3.860 20 5 GHBDMO CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000612825423 836821895 /nfs/dbraw/zinc/82/18/95/836821895.db2.gz VYOJCWDHRRPZCA-GOSISDBHSA-N 1 1 380.448 3.832 20 5 GHBDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[N@H+]2C2CC2)c1 ZINC000180065379 837058550 /nfs/dbraw/zinc/05/85/50/837058550.db2.gz PDONVOIERWDZCT-PMACEKPBSA-N 1 1 396.447 3.703 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000548975359 837115983 /nfs/dbraw/zinc/11/59/83/837115983.db2.gz YKQMAXQUFNSRDM-FUHWJXTLSA-N 1 1 397.475 3.776 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247196663 837207247 /nfs/dbraw/zinc/20/72/47/837207247.db2.gz BQOPIIJUEBCLMO-SJCJKPOMSA-N 1 1 377.441 3.608 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001126382169 844259563 /nfs/dbraw/zinc/25/95/63/844259563.db2.gz GPFZBBGSEQVHPW-ACJLOTCBSA-N 1 1 391.468 3.917 20 5 GHBDMO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(C)c1 ZINC000580352283 837337426 /nfs/dbraw/zinc/33/74/26/837337426.db2.gz NSSOVUBLWBIHQG-CQSZACIVSA-N 1 1 385.420 3.572 20 5 GHBDMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(C)c1 ZINC000580352283 837337441 /nfs/dbraw/zinc/33/74/41/837337441.db2.gz NSSOVUBLWBIHQG-CQSZACIVSA-N 1 1 385.420 3.572 20 5 GHBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000580478825 837352166 /nfs/dbraw/zinc/35/21/66/837352166.db2.gz AOETWGWNHDPOGO-OAHLLOKOSA-N 1 1 398.246 3.817 20 5 GHBDMO COc1ccc2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)C2 ZINC000177462133 837960226 /nfs/dbraw/zinc/96/02/26/837960226.db2.gz JTHAQAUYZNVMAH-NRFANRHFSA-N 1 1 378.432 3.600 20 5 GHBDMO COc1ccc2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)C2 ZINC000177462133 837960232 /nfs/dbraw/zinc/96/02/32/837960232.db2.gz JTHAQAUYZNVMAH-NRFANRHFSA-N 1 1 378.432 3.600 20 5 GHBDMO C[N@@H+](CCOc1cccc(CNc2ccc([N+](=O)[O-])cc2)c1)C1CCOCC1 ZINC000102766793 838221610 /nfs/dbraw/zinc/22/16/10/838221610.db2.gz KKTGMBHWHRQZJN-UHFFFAOYSA-N 1 1 385.464 3.697 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000053140546 838355914 /nfs/dbraw/zinc/35/59/14/838355914.db2.gz FQCGGYZKQBHPRX-UHFFFAOYSA-N 1 1 387.436 3.970 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000103231874 838369912 /nfs/dbraw/zinc/36/99/12/838369912.db2.gz CBSSVLXVTPJNEZ-GOSISDBHSA-N 1 1 382.464 3.589 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000560548083 838391372 /nfs/dbraw/zinc/39/13/72/838391372.db2.gz CZUSAZOCHJPAQD-SFHVURJKSA-N 1 1 390.365 3.667 20 5 GHBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275746290 838650345 /nfs/dbraw/zinc/65/03/45/838650345.db2.gz YACIWMYPCXAFCT-UHFFFAOYSA-N 1 1 387.430 3.832 20 5 GHBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000610370702 838738198 /nfs/dbraw/zinc/73/81/98/838738198.db2.gz JAALVHPWCJSGHP-CYBMUJFWSA-N 1 1 393.431 3.669 20 5 GHBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000610370702 838738208 /nfs/dbraw/zinc/73/82/08/838738208.db2.gz JAALVHPWCJSGHP-CYBMUJFWSA-N 1 1 393.431 3.669 20 5 GHBDMO CCc1cc(N(C)CCCn2cc[nH+]c2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120241152 838885648 /nfs/dbraw/zinc/88/56/48/838885648.db2.gz MTMBBVDVFOAKKU-UHFFFAOYSA-N 1 1 380.452 3.646 20 5 GHBDMO COc1ccccc1CC[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104711358 838917602 /nfs/dbraw/zinc/91/76/02/838917602.db2.gz JHJZPPPYEGWPMN-UHFFFAOYSA-N 1 1 381.432 3.975 20 5 GHBDMO COc1ccc(C[NH2+][C@H](CN)C(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415052088 839121317 /nfs/dbraw/zinc/12/13/17/839121317.db2.gz HFMBEPBDKJEIOY-HXUWFJFHSA-N 1 1 387.480 3.645 20 5 GHBDMO C[C@@H](NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000549170566 839144006 /nfs/dbraw/zinc/14/40/06/839144006.db2.gz KQDPFGFJXZDJDN-CQSZACIVSA-N 1 1 375.856 3.600 20 5 GHBDMO C[C@@H](NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000549170566 839144010 /nfs/dbraw/zinc/14/40/10/839144010.db2.gz KQDPFGFJXZDJDN-CQSZACIVSA-N 1 1 375.856 3.600 20 5 GHBDMO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001167373494 839162030 /nfs/dbraw/zinc/16/20/30/839162030.db2.gz ZMCLDIKTNPRPJO-HXUWFJFHSA-N 1 1 385.439 3.717 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001167373494 839162038 /nfs/dbraw/zinc/16/20/38/839162038.db2.gz ZMCLDIKTNPRPJO-HXUWFJFHSA-N 1 1 385.439 3.717 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4ccc(O)cc4)CC3)n2)cc1 ZINC000052467490 844415077 /nfs/dbraw/zinc/41/50/77/844415077.db2.gz AUHRBHOWMBDTFY-UHFFFAOYSA-N 1 1 380.404 3.730 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415123333 839242931 /nfs/dbraw/zinc/24/29/31/839242931.db2.gz JJXIBHABDGNORS-QFBILLFUSA-N 1 1 399.491 3.599 20 5 GHBDMO COc1cc(CN2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415123333 839242944 /nfs/dbraw/zinc/24/29/44/839242944.db2.gz JJXIBHABDGNORS-QFBILLFUSA-N 1 1 399.491 3.599 20 5 GHBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275861506 839354927 /nfs/dbraw/zinc/35/49/27/839354927.db2.gz YSFFTMNRNKNUGX-ZDUSSCGKSA-N 1 1 399.441 3.786 20 5 GHBDMO COc1cc(CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000536665591 839444971 /nfs/dbraw/zinc/44/49/71/839444971.db2.gz SBDZQJKIQWKULA-QGZVFWFLSA-N 1 1 399.491 3.708 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000119149907 839679715 /nfs/dbraw/zinc/67/97/15/839679715.db2.gz GDDSEXWAGZJZSS-QFBILLFUSA-N 1 1 385.508 3.981 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1ccccc1Cl ZINC000015103663 840225667 /nfs/dbraw/zinc/22/56/67/840225667.db2.gz KQRXDXLQQKLKDC-CYBMUJFWSA-N 1 1 377.828 3.586 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOc1ccccc1Cl ZINC000015103663 840225678 /nfs/dbraw/zinc/22/56/78/840225678.db2.gz KQRXDXLQQKLKDC-CYBMUJFWSA-N 1 1 377.828 3.586 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120638814 844610963 /nfs/dbraw/zinc/61/09/63/844610963.db2.gz ZMTRSOPOVJAZBY-UHFFFAOYSA-N 1 1 393.447 3.598 20 5 GHBDMO COc1ccc(C[N@@H+](C)CCn2cccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000125326682 841390814 /nfs/dbraw/zinc/39/08/14/841390814.db2.gz WRDRHHMBRFXEDJ-UHFFFAOYSA-N 1 1 396.447 3.511 20 5 GHBDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000500099245 841433502 /nfs/dbraw/zinc/43/35/02/841433502.db2.gz OVWMHSBVDCTLAO-CYBMUJFWSA-N 1 1 376.482 3.944 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)c(OC)c1 ZINC000023852127 841487546 /nfs/dbraw/zinc/48/75/46/841487546.db2.gz YBTGKEBNWXBGAO-IBGZPJMESA-N 1 1 382.420 3.756 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)c(OC)c1 ZINC000023852127 841487552 /nfs/dbraw/zinc/48/75/52/841487552.db2.gz YBTGKEBNWXBGAO-IBGZPJMESA-N 1 1 382.420 3.756 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302129108 861210713 /nfs/dbraw/zinc/21/07/13/861210713.db2.gz BLDDMDHQYNWQNT-JKSUJKDBSA-N 1 1 379.823 3.813 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302129108 861210728 /nfs/dbraw/zinc/21/07/28/861210728.db2.gz BLDDMDHQYNWQNT-JKSUJKDBSA-N 1 1 379.823 3.813 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000108385714 841597396 /nfs/dbraw/zinc/59/73/96/841597396.db2.gz YWEHGDFHWMLAHU-LJQANCHMSA-N 1 1 378.432 3.902 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000108385714 841597402 /nfs/dbraw/zinc/59/74/02/841597402.db2.gz YWEHGDFHWMLAHU-LJQANCHMSA-N 1 1 378.432 3.902 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511656168 841723126 /nfs/dbraw/zinc/72/31/26/841723126.db2.gz MGTPWFRSYPVSMO-HKBOAZHASA-N 1 1 382.460 3.998 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000109533146 841943630 /nfs/dbraw/zinc/94/36/30/841943630.db2.gz MRLXFQUMWIIFNN-GOSISDBHSA-N 1 1 393.365 3.988 20 5 GHBDMO C[C@@H]1C[N@H+](CCCNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCO1 ZINC000432361996 842185663 /nfs/dbraw/zinc/18/56/63/842185663.db2.gz GNKOVIIVQPMXDT-MRXNPFEDSA-N 1 1 389.521 3.914 20 5 GHBDMO C[C@@H]1C[N@@H+](CCCNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCO1 ZINC000432361996 842185669 /nfs/dbraw/zinc/18/56/69/842185669.db2.gz GNKOVIIVQPMXDT-MRXNPFEDSA-N 1 1 389.521 3.914 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000157950048 842227997 /nfs/dbraw/zinc/22/79/97/842227997.db2.gz HAPRZOGTXGKCGM-FXAWDEMLSA-N 1 1 396.491 3.789 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000569852369 842245735 /nfs/dbraw/zinc/24/57/35/842245735.db2.gz OELZDEMBAGOQIQ-FQEVSTJZSA-N 1 1 387.867 3.951 20 5 GHBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000585756457 842266595 /nfs/dbraw/zinc/26/65/95/842266595.db2.gz DCRFAAAMESZHAF-GFCCVEGCSA-N 1 1 382.869 3.893 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3Cc3ccc(F)cc3)n2)cc1 ZINC000055908038 842288486 /nfs/dbraw/zinc/28/84/86/842288486.db2.gz SWJJICRHMDDIMM-SFHVURJKSA-N 1 1 382.395 3.991 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600214787 861293826 /nfs/dbraw/zinc/29/38/26/861293826.db2.gz STFTWHZOQGSQII-KRWDZBQOSA-N 1 1 378.432 3.690 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1Cl ZINC000512045348 842307360 /nfs/dbraw/zinc/30/73/60/842307360.db2.gz KHRCMGBFRDQERS-KRWDZBQOSA-N 1 1 386.839 3.762 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000187466316 842494664 /nfs/dbraw/zinc/49/46/64/842494664.db2.gz ZACIBIQRFOVYKF-GOSISDBHSA-N 1 1 387.867 3.889 20 5 GHBDMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)COCc1ccccc1 ZINC000511956818 842559749 /nfs/dbraw/zinc/55/97/49/842559749.db2.gz KUWPXVBEHMGFLL-HXUWFJFHSA-N 1 1 396.443 3.864 20 5 GHBDMO C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000512128303 842587666 /nfs/dbraw/zinc/58/76/66/842587666.db2.gz PRDOXMDYPCFWSV-HNNXBMFYSA-N 1 1 380.448 3.719 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000603889976 861333866 /nfs/dbraw/zinc/33/38/66/861333866.db2.gz ILAVPPASNLKGBY-MRXNPFEDSA-N 1 1 378.432 3.555 20 5 GHBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000093809047 842735905 /nfs/dbraw/zinc/73/59/05/842735905.db2.gz QDDFXJSYOXBHHV-CQSZACIVSA-N 1 1 387.411 3.614 20 5 GHBDMO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000512205340 843090635 /nfs/dbraw/zinc/09/06/35/843090635.db2.gz YARUKISOVBGPEL-AWEZNQCLSA-N 1 1 398.246 3.553 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000603919352 861401565 /nfs/dbraw/zinc/40/15/65/861401565.db2.gz DFLLHNIUXWTNHL-OALUTQOASA-N 1 1 394.475 3.564 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000131486856 861418690 /nfs/dbraw/zinc/41/86/90/861418690.db2.gz OCVUVXVLRAHYTM-CRAIPNDOSA-N 1 1 385.439 3.859 20 5 GHBDMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-n2cncn2)cc1 ZINC000181906863 843580498 /nfs/dbraw/zinc/58/04/98/843580498.db2.gz HSCJZPLPAQHOIP-CQSZACIVSA-N 1 1 390.403 3.681 20 5 GHBDMO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000568779382 843618317 /nfs/dbraw/zinc/61/83/17/843618317.db2.gz CNOLAUVUIRKRAZ-IHPCNDPISA-N 1 1 386.496 3.991 20 5 GHBDMO CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843695966 843845767 /nfs/dbraw/zinc/84/57/67/843845767.db2.gz LMKHWUBUHVODED-SFHVURJKSA-N 1 1 385.439 3.859 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137026413 843898229 /nfs/dbraw/zinc/89/82/29/843898229.db2.gz CGGZQYCANPOIJO-NRFANRHFSA-N 1 1 398.438 3.722 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015376783 843906885 /nfs/dbraw/zinc/90/68/85/843906885.db2.gz TVVFMSPQXATWNE-INIZCTEOSA-N 1 1 393.447 3.524 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)NCc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000509760613 843945691 /nfs/dbraw/zinc/94/56/91/843945691.db2.gz GOGAOAYBVGQEBF-MJGOQNOKSA-N 1 1 396.491 3.695 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512480140 843964098 /nfs/dbraw/zinc/96/40/98/843964098.db2.gz LJNONTFAQMWYIS-XXBNENTESA-N 1 1 394.519 3.548 20 5 GHBDMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000500979092 844952888 /nfs/dbraw/zinc/95/28/88/844952888.db2.gz ALSZSEFHYIRJEL-QGZVFWFLSA-N 1 1 398.463 3.632 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433062986 845111148 /nfs/dbraw/zinc/11/11/48/845111148.db2.gz QUTOSPCUNZIONT-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433062986 845111156 /nfs/dbraw/zinc/11/11/56/845111156.db2.gz QUTOSPCUNZIONT-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000411294201 845213195 /nfs/dbraw/zinc/21/31/95/845213195.db2.gz HUGIDHGGWWDHBG-DZGCQCFKSA-N 1 1 381.498 3.538 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000843806811 861558613 /nfs/dbraw/zinc/55/86/13/861558613.db2.gz YIUHALUSMFLXRW-UGSOOPFHSA-N 1 1 391.468 3.917 20 5 GHBDMO COc1ccccc1C(C)(C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560469 845360007 /nfs/dbraw/zinc/36/00/07/845360007.db2.gz KEPSFCGPPKJDTB-FQEVSTJZSA-N 1 1 394.475 3.994 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000182614355 845498833 /nfs/dbraw/zinc/49/88/33/845498833.db2.gz BMKCBRCAMPFSBQ-MRXNPFEDSA-N 1 1 385.439 3.951 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000182614355 845498834 /nfs/dbraw/zinc/49/88/34/845498834.db2.gz BMKCBRCAMPFSBQ-MRXNPFEDSA-N 1 1 385.439 3.951 20 5 GHBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000536425543 845786653 /nfs/dbraw/zinc/78/66/53/845786653.db2.gz DMLPXILHFCUKLI-SCLBCKFNSA-N 1 1 395.381 3.858 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000071937823 845885111 /nfs/dbraw/zinc/88/51/11/845885111.db2.gz MEUQBLLPBWJQFK-MRXNPFEDSA-N 1 1 383.448 3.987 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@]23CCOC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000421401730 846194800 /nfs/dbraw/zinc/19/48/00/846194800.db2.gz UTJAZXJJCCFYCD-NRFANRHFSA-N 1 1 384.432 3.547 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@]23CCOC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000421401730 846194801 /nfs/dbraw/zinc/19/48/01/846194801.db2.gz UTJAZXJJCCFYCD-NRFANRHFSA-N 1 1 384.432 3.547 20 5 GHBDMO C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000280162531 846315622 /nfs/dbraw/zinc/31/56/22/846315622.db2.gz IDOOGSKQUYTABX-MRXNPFEDSA-N 1 1 395.459 3.554 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+][C@H](CN(C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000551556995 846435081 /nfs/dbraw/zinc/43/50/81/846435081.db2.gz AWNYJYKLBXEQDA-HNAYVOBHSA-N 1 1 387.480 3.956 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000421760304 846554921 /nfs/dbraw/zinc/55/49/21/846554921.db2.gz WRDNCQCQTNDLGC-UHFFFAOYSA-N 1 1 393.487 3.875 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCN(c4cccnn4)CC3)s2)cc1 ZINC000093150022 846777645 /nfs/dbraw/zinc/77/76/45/846777645.db2.gz DXUPQOFUUXZBPZ-UHFFFAOYSA-N 1 1 395.488 3.826 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000501303300 846817214 /nfs/dbraw/zinc/81/72/14/846817214.db2.gz CCZVQWOQCDZVAM-NRFANRHFSA-N 1 1 395.503 3.899 20 5 GHBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3C)CC[N@H+]2C2CC2)c1 ZINC000183245975 846830451 /nfs/dbraw/zinc/83/04/51/846830451.db2.gz DHLGMJCYJFBENO-NHCUHLMSSA-N 1 1 395.459 3.620 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1c1ccc(Cl)c(Cl)c1 ZINC000478258954 847027589 /nfs/dbraw/zinc/02/75/89/847027589.db2.gz UIGYFCXIYYFLJS-INIZCTEOSA-N 1 1 398.221 3.936 20 5 GHBDMO COC(=O)c1cnc(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000478296088 847032971 /nfs/dbraw/zinc/03/29/71/847032971.db2.gz CKDOVNOVXMRTGK-HNNXBMFYSA-N 1 1 398.463 3.763 20 5 GHBDMO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CN1c1cccc(C(F)(F)F)c1 ZINC000478279558 847040802 /nfs/dbraw/zinc/04/08/02/847040802.db2.gz VNKXCXWUWZALEP-ZDUSSCGKSA-N 1 1 397.328 3.648 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000599832048 861758904 /nfs/dbraw/zinc/75/89/04/861758904.db2.gz SDEWNLVKEOWEDI-LIRRHRJNSA-N 1 1 395.463 3.624 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(c4cccnn4)CC3)o2)c(Cl)c1 ZINC000127918444 847643963 /nfs/dbraw/zinc/64/39/63/847643963.db2.gz PTASRXKGAZTLME-UHFFFAOYSA-N 1 1 399.838 3.620 20 5 GHBDMO Cc1c(CC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cccc1[N+](=O)[O-] ZINC000162569741 861825869 /nfs/dbraw/zinc/82/58/69/861825869.db2.gz DWABHEJKJJDKHV-UHFFFAOYSA-N 1 1 388.493 3.917 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000131964298 861852418 /nfs/dbraw/zinc/85/24/18/861852418.db2.gz VCRNIDJRDKQAHO-IBGZPJMESA-N 1 1 398.463 3.819 20 5 GHBDMO Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000612132253 848495532 /nfs/dbraw/zinc/49/55/32/848495532.db2.gz HYWQRKUMWFBPKK-HMXCVIKNSA-N 1 1 393.487 3.934 20 5 GHBDMO Cn1c2ccc(Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)cc2[nH+]c1C1CC1 ZINC000132210128 861955315 /nfs/dbraw/zinc/95/53/15/861955315.db2.gz REYKCOLIHTYBKB-UHFFFAOYSA-N 1 1 377.404 3.987 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248009032 849169452 /nfs/dbraw/zinc/16/94/52/849169452.db2.gz LCAMSLLYLHUDPY-RBBKRZOGSA-N 1 1 393.487 3.650 20 5 GHBDMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000029615733 862014264 /nfs/dbraw/zinc/01/42/64/862014264.db2.gz XGZSGCHBPHLJJE-UONOGXRCSA-N 1 1 387.436 3.598 20 5 GHBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@H]1CCCc2ccccc21 ZINC000536003305 849727378 /nfs/dbraw/zinc/72/73/78/849727378.db2.gz PIZYERCUACJKFV-FQEVSTJZSA-N 1 1 379.460 3.537 20 5 GHBDMO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000435372854 850421814 /nfs/dbraw/zinc/42/18/14/850421814.db2.gz LENVGPAWTJHCLN-RYUDHWBXSA-N 1 1 394.269 3.786 20 5 GHBDMO C[C@@H](c1ccncc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000732199282 862141283 /nfs/dbraw/zinc/14/12/83/862141283.db2.gz JKYOCRYGGYJQHJ-ZDUSSCGKSA-N 1 1 380.370 3.892 20 5 GHBDMO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCc2ccccc2C1 ZINC000519072867 850588626 /nfs/dbraw/zinc/58/86/26/850588626.db2.gz OLWFLMHQSVBRQJ-CQSZACIVSA-N 1 1 379.416 3.518 20 5 GHBDMO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@H+]1CCc2ccccc2C1 ZINC000519072867 850588633 /nfs/dbraw/zinc/58/86/33/850588633.db2.gz OLWFLMHQSVBRQJ-CQSZACIVSA-N 1 1 379.416 3.518 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000506733669 850661291 /nfs/dbraw/zinc/66/12/91/850661291.db2.gz TWXLLQBAGVZLLR-GOOCMWNKSA-N 1 1 377.510 3.842 20 5 GHBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000519297691 850882223 /nfs/dbraw/zinc/88/22/23/850882223.db2.gz BYENRNDTZPWFHE-IYBDPMFKSA-N 1 1 377.488 3.674 20 5 GHBDMO C[N@@H+]1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000425443236 851095892 /nfs/dbraw/zinc/09/58/92/851095892.db2.gz LIEUMRUULCNXPL-AEFFLSMTSA-N 1 1 390.281 3.892 20 5 GHBDMO C[N@H+]1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000425443236 851095898 /nfs/dbraw/zinc/09/58/98/851095898.db2.gz LIEUMRUULCNXPL-AEFFLSMTSA-N 1 1 390.281 3.892 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000604472273 862213351 /nfs/dbraw/zinc/21/33/51/862213351.db2.gz MGQYXGODISLTJU-MRXNPFEDSA-N 1 1 387.867 3.890 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000514104226 851242751 /nfs/dbraw/zinc/24/27/51/851242751.db2.gz HXKGGXUOEAPKDP-IBGZPJMESA-N 1 1 380.423 3.878 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1 ZINC000519541563 851366874 /nfs/dbraw/zinc/36/68/74/851366874.db2.gz IAXGPPWBCVDCFA-UHFFFAOYSA-N 1 1 390.871 3.546 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436265179 851399470 /nfs/dbraw/zinc/39/94/70/851399470.db2.gz QVOOBPBGOAWUOV-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488385863 851451832 /nfs/dbraw/zinc/45/18/32/851451832.db2.gz KPOGMCCEAYWCPY-QPJJXVBHSA-N 1 1 391.265 3.865 20 5 GHBDMO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000430090445 851520790 /nfs/dbraw/zinc/52/07/90/851520790.db2.gz NTRYYRIJGVLJES-OAHLLOKOSA-N 1 1 392.477 3.644 20 5 GHBDMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000430090445 851520800 /nfs/dbraw/zinc/52/08/00/851520800.db2.gz NTRYYRIJGVLJES-OAHLLOKOSA-N 1 1 392.477 3.644 20 5 GHBDMO CCNC(=O)C1(C[NH2+][C@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000488465456 851532560 /nfs/dbraw/zinc/53/25/60/851532560.db2.gz OHRVNUGUFWKWSJ-IBGZPJMESA-N 1 1 385.464 3.736 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000550105351 851586046 /nfs/dbraw/zinc/58/60/46/851586046.db2.gz AKSSURDXXOFLHF-SFHVURJKSA-N 1 1 380.366 3.750 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000488883988 851837602 /nfs/dbraw/zinc/83/76/02/851837602.db2.gz HTHGAHNMHFBVPA-UHFFFAOYSA-N 1 1 379.526 3.947 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(c4ccc(F)c(F)c4)CC3)n2)c1 ZINC000729465674 851921568 /nfs/dbraw/zinc/92/15/68/851921568.db2.gz HKBYVWMNCKFUBJ-UHFFFAOYSA-N 1 1 399.401 3.969 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000383040640 852105194 /nfs/dbraw/zinc/10/51/94/852105194.db2.gz NTPNYGMLRQIQCF-MRXNPFEDSA-N 1 1 387.867 3.842 20 5 GHBDMO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1=O ZINC000550255863 852149115 /nfs/dbraw/zinc/14/91/15/852149115.db2.gz VYGQTEBRXYZGLL-BLLLJJGKSA-N 1 1 377.441 3.637 20 5 GHBDMO CC[N@H+](CCCO)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489297497 852204158 /nfs/dbraw/zinc/20/41/58/852204158.db2.gz WVHORFAESUSNFI-GOSISDBHSA-N 1 1 391.855 3.632 20 5 GHBDMO CC[N@@H+](CCCO)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489297497 852204165 /nfs/dbraw/zinc/20/41/65/852204165.db2.gz WVHORFAESUSNFI-GOSISDBHSA-N 1 1 391.855 3.632 20 5 GHBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000425994335 852339827 /nfs/dbraw/zinc/33/98/27/852339827.db2.gz PJJZBJFOIDNCGQ-NWDGAFQWSA-N 1 1 395.253 3.820 20 5 GHBDMO Cc1cc(CN2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)on1 ZINC000506246587 852459157 /nfs/dbraw/zinc/45/91/57/852459157.db2.gz QHKXLNWLPOGASJ-UHFFFAOYSA-N 1 1 398.488 3.938 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000505905920 852548347 /nfs/dbraw/zinc/54/83/47/852548347.db2.gz JSRSTNVNKOHRTI-JKSUJKDBSA-N 1 1 384.480 3.803 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cnn(C)c2C)cc1OC ZINC000543518329 862372527 /nfs/dbraw/zinc/37/25/27/862372527.db2.gz OGAVWLUCADYQCR-KBPBESRZSA-N 1 1 390.484 3.921 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000505941333 852639590 /nfs/dbraw/zinc/63/95/90/852639590.db2.gz NSADYCGVPPSWIY-HUUCEWRRSA-N 1 1 379.888 3.975 20 5 GHBDMO COc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000489982175 852705248 /nfs/dbraw/zinc/70/52/48/852705248.db2.gz XRCASUCVYGRXNP-GOSISDBHSA-N 1 1 398.463 3.780 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000489982175 852705254 /nfs/dbraw/zinc/70/52/54/852705254.db2.gz XRCASUCVYGRXNP-GOSISDBHSA-N 1 1 398.463 3.780 20 5 GHBDMO Cc1c(Br)c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000516602200 852763992 /nfs/dbraw/zinc/76/39/92/852763992.db2.gz FBZXOVSOSJTKMO-OCCSQVGLSA-N 1 1 395.301 3.514 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000506346699 852812598 /nfs/dbraw/zinc/81/25/98/852812598.db2.gz OVKTXCCSCWWBNN-CQSZACIVSA-N 1 1 377.510 3.844 20 5 GHBDMO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000516692539 852871243 /nfs/dbraw/zinc/87/12/43/852871243.db2.gz VYJDUXDBTUNRKH-IBGZPJMESA-N 1 1 381.476 3.935 20 5 GHBDMO Cc1c(CC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438932468 853099889 /nfs/dbraw/zinc/09/98/89/853099889.db2.gz NHCAFQJRAJIUIK-FQEVSTJZSA-N 1 1 381.476 3.569 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000507639565 853118910 /nfs/dbraw/zinc/11/89/10/853118910.db2.gz WJUFPIAFIUZLOT-WMLDXEAASA-N 1 1 385.489 3.882 20 5 GHBDMO COc1cc(CN[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000518274616 853149804 /nfs/dbraw/zinc/14/98/04/853149804.db2.gz NOOGPWKXQIQWRZ-GOSISDBHSA-N 1 1 397.475 3.509 20 5 GHBDMO COc1cc(CN[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000518274616 853149809 /nfs/dbraw/zinc/14/98/09/853149809.db2.gz NOOGPWKXQIQWRZ-GOSISDBHSA-N 1 1 397.475 3.509 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426249724 853160278 /nfs/dbraw/zinc/16/02/78/853160278.db2.gz QSEKFWUNFNBWGZ-IBGZPJMESA-N 1 1 394.475 3.543 20 5 GHBDMO Cc1sc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140037131 853256672 /nfs/dbraw/zinc/25/66/72/853256672.db2.gz TWUMCBCNTATHCI-ZDUSSCGKSA-N 1 1 379.507 3.668 20 5 GHBDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000517058531 853312903 /nfs/dbraw/zinc/31/29/03/853312903.db2.gz JXIWETOYXNQHFS-ASWWPLPZSA-N 1 1 382.460 3.650 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000518413029 853316626 /nfs/dbraw/zinc/31/66/26/853316626.db2.gz SMGFGPOGRFRWBG-HLAWJBBLSA-N 1 1 392.459 3.785 20 5 GHBDMO COc1cc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184403735 853320537 /nfs/dbraw/zinc/32/05/37/853320537.db2.gz SWSAFNOFFIWFKJ-KRWDZBQOSA-N 1 1 390.411 3.915 20 5 GHBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000518428625 853335612 /nfs/dbraw/zinc/33/56/12/853335612.db2.gz VMSVXJYQTUDAMQ-QGZVFWFLSA-N 1 1 381.432 3.696 20 5 GHBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426328829 853473898 /nfs/dbraw/zinc/47/38/98/853473898.db2.gz DWUBCSAQMQYAPE-GOSISDBHSA-N 1 1 397.475 3.778 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491159965 853474814 /nfs/dbraw/zinc/47/48/14/853474814.db2.gz FRTSHGMASCTMOL-SWLSCSKDSA-N 1 1 386.477 3.777 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(c4ccc(O)cc4)CC3)n2)c1 ZINC000506120564 853494305 /nfs/dbraw/zinc/49/43/05/853494305.db2.gz ZOGXGAJVVNJRDC-UHFFFAOYSA-N 1 1 380.404 3.730 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439330366 853560702 /nfs/dbraw/zinc/56/07/02/853560702.db2.gz YMRUXVMOYUVXIL-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439330366 853560708 /nfs/dbraw/zinc/56/07/08/853560708.db2.gz YMRUXVMOYUVXIL-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000518677219 853642135 /nfs/dbraw/zinc/64/21/35/853642135.db2.gz UYMVADGBZQZWTK-UHFFFAOYSA-N 1 1 378.473 3.578 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055414860 853906286 /nfs/dbraw/zinc/90/62/86/853906286.db2.gz ILCUBIGTAMQDER-GOSISDBHSA-N 1 1 391.515 3.535 20 5 GHBDMO CC(C)(C)OC(=O)CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000571674987 853980375 /nfs/dbraw/zinc/98/03/75/853980375.db2.gz MOKJRLXLJWFNTG-UHFFFAOYSA-N 1 1 398.887 3.961 20 5 GHBDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000571674987 853980377 /nfs/dbraw/zinc/98/03/77/853980377.db2.gz MOKJRLXLJWFNTG-UHFFFAOYSA-N 1 1 398.887 3.961 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)o1 ZINC000441356144 854127188 /nfs/dbraw/zinc/12/71/88/854127188.db2.gz KXOHQVOBWKUBGS-OAQYLSRUSA-N 1 1 380.400 3.615 20 5 GHBDMO C[N@@H+](CCCOc1cccc(Cl)c1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000550327156 854204026 /nfs/dbraw/zinc/20/40/26/854204026.db2.gz FVPHGOHMBREJGD-UHFFFAOYSA-N 1 1 391.855 3.978 20 5 GHBDMO COc1cc(C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000588215068 854218916 /nfs/dbraw/zinc/21/89/16/854218916.db2.gz ZPGIUIGXTTYPEO-CABCVRRESA-N 1 1 376.428 3.729 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000248373247 854710358 /nfs/dbraw/zinc/71/03/58/854710358.db2.gz HNZHZVJZEWXGOQ-PBHICJAKSA-N 1 1 399.472 3.781 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000248373247 854710364 /nfs/dbraw/zinc/71/03/64/854710364.db2.gz HNZHZVJZEWXGOQ-PBHICJAKSA-N 1 1 399.472 3.781 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000056459147 854739173 /nfs/dbraw/zinc/73/91/73/854739173.db2.gz NVKIURINZGPUKK-QGZVFWFLSA-N 1 1 396.491 3.969 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122924144 855039199 /nfs/dbraw/zinc/03/91/99/855039199.db2.gz GHEBFDFRIVNZSV-SFHVURJKSA-N 1 1 386.496 3.533 20 5 GHBDMO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000441467527 855088603 /nfs/dbraw/zinc/08/86/03/855088603.db2.gz DXNKEMFFEJVSNI-IPELMVKDSA-N 1 1 378.469 3.508 20 5 GHBDMO CCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184605462 855194933 /nfs/dbraw/zinc/19/49/33/855194933.db2.gz LSDUCRPULBNRAT-UWJYYQICSA-N 1 1 396.491 3.962 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000130824519 855196358 /nfs/dbraw/zinc/19/63/58/855196358.db2.gz UPDQSAHCIHQCSS-SJORKVTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000130824519 855196363 /nfs/dbraw/zinc/19/63/63/855196363.db2.gz UPDQSAHCIHQCSS-SJORKVTESA-N 1 1 377.803 3.563 20 5 GHBDMO Cc1cc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590132562 855308528 /nfs/dbraw/zinc/30/85/28/855308528.db2.gz MTBYIKHVPVJSTJ-AWEZNQCLSA-N 1 1 387.402 3.613 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000165881517 855312864 /nfs/dbraw/zinc/31/28/64/855312864.db2.gz YTNZHFRVQYGRJS-FQEVSTJZSA-N 1 1 397.475 3.913 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000441502025 855483736 /nfs/dbraw/zinc/48/37/36/855483736.db2.gz RAXHEOUKLFGWGX-MRXNPFEDSA-N 1 1 386.404 3.548 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000591026249 855746413 /nfs/dbraw/zinc/74/64/13/855746413.db2.gz ZPSJDYGGYVQOPR-RYUDHWBXSA-N 1 1 389.374 3.595 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133851141 862727938 /nfs/dbraw/zinc/72/79/38/862727938.db2.gz MEHCULOJVPCIDS-KRWDZBQOSA-N 1 1 385.439 3.718 20 5 GHBDMO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485167047 856179796 /nfs/dbraw/zinc/17/97/96/856179796.db2.gz LFIQCSMCHQRVGW-MAUKXSAKSA-N 1 1 394.475 3.802 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCCC[C@H]3O)n2)c1 ZINC000280991856 862780712 /nfs/dbraw/zinc/78/07/12/862780712.db2.gz LWUVWIAKONEVHA-RCCFBDPRSA-N 1 1 386.452 3.550 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001128756461 856442511 /nfs/dbraw/zinc/44/25/11/856442511.db2.gz JNVCTPWHBNIAEA-UHFFFAOYSA-N 1 1 385.464 3.590 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC[N@H+]1C ZINC000485401983 856451013 /nfs/dbraw/zinc/45/10/13/856451013.db2.gz GLQJPZMDTJAVPT-LSDHHAIUSA-N 1 1 385.489 3.959 20 5 GHBDMO COc1cc(C)nc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592133627 856661788 /nfs/dbraw/zinc/66/17/88/856661788.db2.gz ZFOHNDSXILCDHK-WGSAOQKQSA-N 1 1 385.464 3.613 20 5 GHBDMO COc1cc(C)nc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592133627 856661798 /nfs/dbraw/zinc/66/17/98/856661798.db2.gz ZFOHNDSXILCDHK-WGSAOQKQSA-N 1 1 385.464 3.613 20 5 GHBDMO COc1cc(C)[nH+]c(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592133627 856661804 /nfs/dbraw/zinc/66/18/04/856661804.db2.gz ZFOHNDSXILCDHK-WGSAOQKQSA-N 1 1 385.464 3.613 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000485532876 856706413 /nfs/dbraw/zinc/70/64/13/856706413.db2.gz PDEZVZCTBIWERI-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000485532876 856706418 /nfs/dbraw/zinc/70/64/18/856706418.db2.gz PDEZVZCTBIWERI-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO COc1ccc(OCC[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)c([N+](=O)[O-])c1 ZINC000429240470 856781190 /nfs/dbraw/zinc/78/11/90/856781190.db2.gz IXDKOFSVMKDIQP-UHFFFAOYSA-N 1 1 389.330 3.514 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000173519096 856969645 /nfs/dbraw/zinc/96/96/45/856969645.db2.gz PLJBZADXULUYAS-CYBMUJFWSA-N 1 1 387.402 3.856 20 5 GHBDMO CCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592258426 856980271 /nfs/dbraw/zinc/98/02/71/856980271.db2.gz RIOMDCRUHIVHNN-CYBMUJFWSA-N 1 1 399.289 3.614 20 5 GHBDMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245731716 857155088 /nfs/dbraw/zinc/15/50/88/857155088.db2.gz JWKNMILJEFSYOT-IEBWSBKVSA-N 1 1 392.477 3.642 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245731716 857155093 /nfs/dbraw/zinc/15/50/93/857155093.db2.gz JWKNMILJEFSYOT-IEBWSBKVSA-N 1 1 392.477 3.642 20 5 GHBDMO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000485896119 857184904 /nfs/dbraw/zinc/18/49/04/857184904.db2.gz VEEQTQUJVYHTDE-QZTJIDSGSA-N 1 1 391.515 3.534 20 5 GHBDMO Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000173956326 857186566 /nfs/dbraw/zinc/18/65/66/857186566.db2.gz KKKLIZFDMADBOH-UHFFFAOYSA-N 1 1 382.873 3.785 20 5 GHBDMO CC(C)[C@H]1OCCC[C@H]1Nc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000485951232 857242830 /nfs/dbraw/zinc/24/28/30/857242830.db2.gz HVCSKIQDDDGJJL-UYAOXDASSA-N 1 1 397.479 3.563 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000157732941 857250094 /nfs/dbraw/zinc/25/00/94/857250094.db2.gz RDAYPVZVTNKYTD-MAUKXSAKSA-N 1 1 391.537 3.899 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000043342561 857383389 /nfs/dbraw/zinc/38/33/89/857383389.db2.gz RIBVBETYSRVRMY-UHFFFAOYSA-N 1 1 388.855 3.640 20 5 GHBDMO Cc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301720861 857429273 /nfs/dbraw/zinc/42/92/73/857429273.db2.gz QCBPZUPOBZYSGI-INIZCTEOSA-N 1 1 392.463 3.553 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000521531047 858078647 /nfs/dbraw/zinc/07/86/47/858078647.db2.gz RNEFBDYHSLHSTK-QGZVFWFLSA-N 1 1 396.491 3.555 20 5 GHBDMO Cc1ccc(C[N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000574572863 858091383 /nfs/dbraw/zinc/09/13/83/858091383.db2.gz KUJFCFVJDRPBRN-UHFFFAOYSA-N 1 1 378.469 3.616 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)c2C1 ZINC000066515271 858159999 /nfs/dbraw/zinc/15/99/99/858159999.db2.gz XLQKAYMOVWHNBE-UHFFFAOYSA-N 1 1 391.431 3.758 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)c2C1 ZINC000066515271 858160002 /nfs/dbraw/zinc/16/00/02/858160002.db2.gz XLQKAYMOVWHNBE-UHFFFAOYSA-N 1 1 391.431 3.758 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159794245 863012848 /nfs/dbraw/zinc/01/28/48/863012848.db2.gz LATGZEBHQMATJK-CYBMUJFWSA-N 1 1 390.871 3.773 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159794245 863012856 /nfs/dbraw/zinc/01/28/56/863012856.db2.gz LATGZEBHQMATJK-CYBMUJFWSA-N 1 1 390.871 3.773 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000595006154 858364332 /nfs/dbraw/zinc/36/43/32/858364332.db2.gz FVEQSEOFEJLORD-NSHDSACASA-N 1 1 385.342 3.790 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000595009146 858365130 /nfs/dbraw/zinc/36/51/30/858365130.db2.gz DXYFWOSELXKXSB-HNAYVOBHSA-N 1 1 383.448 3.618 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000595043157 858377539 /nfs/dbraw/zinc/37/75/39/858377539.db2.gz IHKJZXSOZKUKJC-MRXNPFEDSA-N 1 1 399.491 3.927 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000595052131 858380781 /nfs/dbraw/zinc/38/07/81/858380781.db2.gz QSWRFFLCHFCKRX-TYFHEEPYSA-N 1 1 378.450 3.589 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000439110913 858381777 /nfs/dbraw/zinc/38/17/77/858381777.db2.gz KTXNYPNEEXAIGT-KRWDZBQOSA-N 1 1 387.867 3.951 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000544625925 858569914 /nfs/dbraw/zinc/56/99/14/858569914.db2.gz KHIIOXAEVVTBRU-GDBMZVCRSA-N 1 1 386.427 3.909 20 5 GHBDMO CCCC[N@H+]1Cc2cccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000067453073 858573210 /nfs/dbraw/zinc/57/32/10/858573210.db2.gz OQUBTJRDQGDUHL-OAQYLSRUSA-N 1 1 394.475 3.928 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000595881496 858704301 /nfs/dbraw/zinc/70/43/01/858704301.db2.gz SLVQGJDWCLXOQU-MRXNPFEDSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c([N+](=O)[O-])cc1OC(F)F ZINC000595904204 858712231 /nfs/dbraw/zinc/71/22/31/858712231.db2.gz ASIWTBAZCXFFBR-KDURUIRLSA-N 1 1 398.406 3.597 20 5 GHBDMO COC1CC[NH+](C2(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCCC2)CC1 ZINC000482644385 858719322 /nfs/dbraw/zinc/71/93/22/858719322.db2.gz DHBPULGNORTJDQ-QGZVFWFLSA-N 1 1 375.513 3.977 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000543181819 858758199 /nfs/dbraw/zinc/75/81/99/858758199.db2.gz NNVDALKHRHGPCP-KUHUBIRLSA-N 1 1 399.447 3.634 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000543181819 858758209 /nfs/dbraw/zinc/75/82/09/858758209.db2.gz NNVDALKHRHGPCP-KUHUBIRLSA-N 1 1 399.447 3.634 20 5 GHBDMO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000059935105 858760593 /nfs/dbraw/zinc/76/05/93/858760593.db2.gz UIPSHDMKBORVLS-FXAWDEMLSA-N 1 1 397.475 3.658 20 5 GHBDMO COc1ccccc1CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000482712769 858785837 /nfs/dbraw/zinc/78/58/37/858785837.db2.gz WQCWCJOOMCRKOI-UHFFFAOYSA-N 1 1 380.448 3.934 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328345 881366243 /nfs/dbraw/zinc/36/62/43/881366243.db2.gz JXXQPFGZGNWCPH-GDZNZVCISA-N 1 1 390.402 3.560 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)CCc2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC001170329862 881368352 /nfs/dbraw/zinc/36/83/52/881368352.db2.gz WDXYCLLKMZUPBH-HNNXBMFYSA-N 1 1 388.464 3.726 20 5 GHBDMO CCOC(=O)[C@]1(C)CCCC[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170334585 881379517 /nfs/dbraw/zinc/37/95/17/881379517.db2.gz HAQGWZPBAFBQMH-MGPUTAFESA-N 1 1 378.469 3.590 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)s1 ZINC000597256132 859381647 /nfs/dbraw/zinc/38/16/47/859381647.db2.gz WPHZBGWTJPNZAW-AWEZNQCLSA-N 1 1 375.450 3.526 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000483488429 859395655 /nfs/dbraw/zinc/39/56/55/859395655.db2.gz CQHPPWXZLATFTE-HYXAFXHYSA-N 1 1 397.294 3.927 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000483488429 859395665 /nfs/dbraw/zinc/39/56/65/859395665.db2.gz CQHPPWXZLATFTE-HYXAFXHYSA-N 1 1 397.294 3.927 20 5 GHBDMO CSc1cccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000593336482 859449840 /nfs/dbraw/zinc/44/98/40/859449840.db2.gz HMBJOQYRCGIIJQ-HXUWFJFHSA-N 1 1 385.489 3.711 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000764567936 859504325 /nfs/dbraw/zinc/50/43/25/859504325.db2.gz ZEBWTJMYRAAAOU-INIZCTEOSA-N 1 1 385.439 3.779 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000760599156 859532604 /nfs/dbraw/zinc/53/26/04/859532604.db2.gz LNXJXYAVJNZWOZ-DNVCBOLYSA-N 1 1 385.439 3.683 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4CC[N@H+](C)C[C@H]43)c([N+](=O)[O-])c2)cc1 ZINC000611510239 859790992 /nfs/dbraw/zinc/79/09/92/859790992.db2.gz QMYBMVKOHNWESV-IIBYNOLFSA-N 1 1 394.475 3.686 20 5 GHBDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000121153398 859806637 /nfs/dbraw/zinc/80/66/37/859806637.db2.gz QTUUAOIOQAJSNF-UHFFFAOYSA-N 1 1 379.416 3.846 20 5 GHBDMO COc1ccc(C[C@H](C)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170347157 881470954 /nfs/dbraw/zinc/47/09/54/881470954.db2.gz QWSAXIRJEYNJHA-KPDCDPCYSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170347157 881470961 /nfs/dbraw/zinc/47/09/61/881470961.db2.gz QWSAXIRJEYNJHA-KPDCDPCYSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170347157 881470968 /nfs/dbraw/zinc/47/09/68/881470968.db2.gz QWSAXIRJEYNJHA-KPDCDPCYSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000494288460 881469637 /nfs/dbraw/zinc/46/96/37/881469637.db2.gz SHJWONJZXMYHSG-ASNKMWSDSA-N 1 1 383.448 3.966 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000494288460 881469642 /nfs/dbraw/zinc/46/96/42/881469642.db2.gz SHJWONJZXMYHSG-ASNKMWSDSA-N 1 1 383.448 3.966 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4nc(C)no4)C3)o2)c([N+](=O)[O-])c1 ZINC000091832825 859939488 /nfs/dbraw/zinc/93/94/88/859939488.db2.gz KDCJHHAHZMEODD-AWEZNQCLSA-N 1 1 398.419 3.934 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000727423238 860088758 /nfs/dbraw/zinc/08/87/58/860088758.db2.gz NKDKKLFJLQFHOV-UHFFFAOYSA-N 1 1 393.491 3.746 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000727423238 860088762 /nfs/dbraw/zinc/08/87/62/860088762.db2.gz NKDKKLFJLQFHOV-UHFFFAOYSA-N 1 1 393.491 3.746 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000727432635 860094192 /nfs/dbraw/zinc/09/41/92/860094192.db2.gz OVQNHJHMCMOOER-UHFFFAOYSA-N 1 1 384.436 3.851 20 5 GHBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542654648 860113819 /nfs/dbraw/zinc/11/38/19/860113819.db2.gz IFJXABLNYSJKBI-CQSZACIVSA-N 1 1 377.510 3.653 20 5 GHBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542654648 860113824 /nfs/dbraw/zinc/11/38/24/860113824.db2.gz IFJXABLNYSJKBI-CQSZACIVSA-N 1 1 377.510 3.653 20 5 GHBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000124127359 860238697 /nfs/dbraw/zinc/23/86/97/860238697.db2.gz RZWUSKPUYUPUOE-MRXNPFEDSA-N 1 1 385.464 3.839 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000555229437 860258351 /nfs/dbraw/zinc/25/83/51/860258351.db2.gz IYDMSEIUOJDRQD-LJQANCHMSA-N 1 1 396.491 3.639 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](Nc4ccccc4)C3)n2)c1 ZINC000154946319 860337156 /nfs/dbraw/zinc/33/71/56/860337156.db2.gz DHILYPNSGRNWFU-QGZVFWFLSA-N 1 1 379.420 3.721 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](Nc4ccccc4)C3)n2)c1 ZINC000154946319 860337163 /nfs/dbraw/zinc/33/71/63/860337163.db2.gz DHILYPNSGRNWFU-QGZVFWFLSA-N 1 1 379.420 3.721 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000124379329 860345361 /nfs/dbraw/zinc/34/53/61/860345361.db2.gz XPJWRXCCKJVEJQ-HNNXBMFYSA-N 1 1 397.903 3.501 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000557022773 881529718 /nfs/dbraw/zinc/52/97/18/881529718.db2.gz NABCQCFSOBYDNK-HNNXBMFYSA-N 1 1 387.411 3.561 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598507409 860368830 /nfs/dbraw/zinc/36/88/30/860368830.db2.gz AODVPAZCYYVULL-OAHLLOKOSA-N 1 1 393.365 3.618 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598507409 860368838 /nfs/dbraw/zinc/36/88/38/860368838.db2.gz AODVPAZCYYVULL-OAHLLOKOSA-N 1 1 393.365 3.618 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000155084893 860392742 /nfs/dbraw/zinc/39/27/42/860392742.db2.gz POHIZRHOETWXHE-SFHVURJKSA-N 1 1 382.464 3.808 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598647381 860480565 /nfs/dbraw/zinc/48/05/65/860480565.db2.gz AJYCHSDDDKYVBD-QGZVFWFLSA-N 1 1 385.411 3.736 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598649904 860481494 /nfs/dbraw/zinc/48/14/94/860481494.db2.gz NMWXPROJFPXFMZ-QGZVFWFLSA-N 1 1 385.411 3.736 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598651046 860482487 /nfs/dbraw/zinc/48/24/87/860482487.db2.gz QFRNOMYNPIUEDI-MDKPJZGXSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598651046 860482489 /nfs/dbraw/zinc/48/24/89/860482489.db2.gz QFRNOMYNPIUEDI-MDKPJZGXSA-N 1 1 397.475 3.533 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599078104 860783032 /nfs/dbraw/zinc/78/30/32/860783032.db2.gz GPYVJNPCLIPPNT-CYBMUJFWSA-N 1 1 398.301 3.742 20 5 GHBDMO O=C(c1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000599127061 860807616 /nfs/dbraw/zinc/80/76/16/860807616.db2.gz NHMAAEMGQFSANL-GOSISDBHSA-N 1 1 386.496 3.650 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509076068 860838100 /nfs/dbraw/zinc/83/81/00/860838100.db2.gz CIIWPQHAKCECDA-UHFFFAOYSA-N 1 1 393.285 3.645 20 5 GHBDMO C[N@H+]1CCCC[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000599138616 860844340 /nfs/dbraw/zinc/84/43/40/860844340.db2.gz HHJACFYXKZNZSP-JTQLQIEISA-N 1 1 382.333 3.788 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603731469 861100376 /nfs/dbraw/zinc/10/03/76/861100376.db2.gz VKUXZVMNPHTSMG-MRXNPFEDSA-N 1 1 383.404 3.891 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159933822 863179983 /nfs/dbraw/zinc/17/99/83/863179983.db2.gz OYRBSBDKBPMKQG-CYBMUJFWSA-N 1 1 398.301 3.742 20 5 GHBDMO Cc1c(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000480069650 863994906 /nfs/dbraw/zinc/99/49/06/863994906.db2.gz LXSHEPJJXTYOLN-AEFFLSMTSA-N 1 1 388.512 3.699 20 5 GHBDMO COc1ccc(C(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000734300041 864133185 /nfs/dbraw/zinc/13/31/85/864133185.db2.gz SNDUAWIZKLTZJS-QGZVFWFLSA-N 1 1 384.432 3.672 20 5 GHBDMO COc1cc(C(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000734300741 864135264 /nfs/dbraw/zinc/13/52/64/864135264.db2.gz ULVOLHBLOOVFHN-QGZVFWFLSA-N 1 1 384.432 3.672 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000480519734 864797875 /nfs/dbraw/zinc/79/78/75/864797875.db2.gz RAEVROHKCRBJAV-QGZVFWFLSA-N 1 1 376.501 3.800 20 5 GHBDMO CC(CN(C)Cc1ccccc1[N+](=O)[O-])C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000736309081 865171444 /nfs/dbraw/zinc/17/14/44/865171444.db2.gz XZCMAKSKQNRBPJ-UHFFFAOYSA-N 1 1 386.452 3.703 20 5 GHBDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128478916 865461771 /nfs/dbraw/zinc/46/17/71/865461771.db2.gz GKULUKXMFLWAOQ-KUHUBIRLSA-N 1 1 387.411 3.525 20 5 GHBDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128478916 865461775 /nfs/dbraw/zinc/46/17/75/865461775.db2.gz GKULUKXMFLWAOQ-KUHUBIRLSA-N 1 1 387.411 3.525 20 5 GHBDMO CCCC[N@H+](C)CC1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000738067796 865477328 /nfs/dbraw/zinc/47/73/28/865477328.db2.gz SOUWVJHBIRNBAI-UHFFFAOYSA-N 1 1 385.512 3.860 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000738067796 865477334 /nfs/dbraw/zinc/47/73/34/865477334.db2.gz SOUWVJHBIRNBAI-UHFFFAOYSA-N 1 1 385.512 3.860 20 5 GHBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000185424623 866091499 /nfs/dbraw/zinc/09/14/99/866091499.db2.gz LDIDANVNUGCCKW-OAHLLOKOSA-N 1 1 377.510 3.559 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC[N@H+]2C)cc1 ZINC000741122020 866245990 /nfs/dbraw/zinc/24/59/90/866245990.db2.gz YZZZUGINZSGAMK-VFOPDNGVSA-N 1 1 396.443 3.853 20 5 GHBDMO O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741327343 866409418 /nfs/dbraw/zinc/40/94/18/866409418.db2.gz GPHMPCJFICFWFK-OAHLLOKOSA-N 1 1 390.386 3.828 20 5 GHBDMO CSc1cccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000186625580 866430544 /nfs/dbraw/zinc/43/05/44/866430544.db2.gz OYHYSRGYGVDHTC-KRWDZBQOSA-N 1 1 399.516 3.911 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000183392942 866680658 /nfs/dbraw/zinc/68/06/58/866680658.db2.gz BTRRZLVHFLROCP-PBHICJAKSA-N 1 1 387.411 3.523 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000183392942 866680671 /nfs/dbraw/zinc/68/06/71/866680671.db2.gz BTRRZLVHFLROCP-PBHICJAKSA-N 1 1 387.411 3.523 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000183634294 866944110 /nfs/dbraw/zinc/94/41/10/866944110.db2.gz UEZMHEYBHGOGNV-WOJBJXKFSA-N 1 1 389.883 3.718 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440506962 867000400 /nfs/dbraw/zinc/00/04/00/867000400.db2.gz KJCXGBDGTPGGFF-UHFFFAOYSA-N 1 1 393.285 3.645 20 5 GHBDMO C[C@@H]1C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1c1ccccc1 ZINC000742163305 867086937 /nfs/dbraw/zinc/08/69/37/867086937.db2.gz BLBOVEVQSAVOIV-UZLBHIALSA-N 1 1 377.448 3.936 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+](CCc2ccc(F)cc2)C2CC2)nc1-c1ccncc1 ZINC000742149296 867102714 /nfs/dbraw/zinc/10/27/14/867102714.db2.gz JLTTVROYNODGCN-UHFFFAOYSA-N 1 1 381.411 3.657 20 5 GHBDMO Cc1ccc(C[C@@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000742149576 867103537 /nfs/dbraw/zinc/10/35/37/867103537.db2.gz MELYSNABSZCNJH-IBGZPJMESA-N 1 1 377.448 3.826 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1)C(C)C ZINC000534745471 867407274 /nfs/dbraw/zinc/40/72/74/867407274.db2.gz RCCDYBXPCZSUJF-UHFFFAOYSA-N 1 1 381.436 3.954 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475700889 882081693 /nfs/dbraw/zinc/08/16/93/882081693.db2.gz XPCNFGFLAMMZHG-VQIMIIECSA-N 1 1 398.459 3.772 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000444895235 867453911 /nfs/dbraw/zinc/45/39/11/867453911.db2.gz BHAHWTLOPFNLBZ-GDBMZVCRSA-N 1 1 384.436 3.560 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457091985 867648568 /nfs/dbraw/zinc/64/85/68/867648568.db2.gz NFBSPUKNUMSGQX-INIZCTEOSA-N 1 1 379.526 3.898 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000534860840 867659899 /nfs/dbraw/zinc/65/98/99/867659899.db2.gz TXUVDFYUXGEHIH-IAGOWNOFSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000534860840 867659904 /nfs/dbraw/zinc/65/99/04/867659904.db2.gz TXUVDFYUXGEHIH-IAGOWNOFSA-N 1 1 377.803 3.563 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442686136 867913079 /nfs/dbraw/zinc/91/30/79/867913079.db2.gz USDVKSRZBVDNCG-YOEHRIQHSA-N 1 1 397.500 3.959 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857244373 882138239 /nfs/dbraw/zinc/13/82/39/882138239.db2.gz HWEXTJNEPGVAHN-FQEVSTJZSA-N 1 1 381.476 3.719 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)ccc1Cl ZINC000793348335 882144248 /nfs/dbraw/zinc/14/42/48/882144248.db2.gz JSYJNUMHZRNAGE-ZDUSSCGKSA-N 1 1 390.745 3.970 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743408747 868188975 /nfs/dbraw/zinc/18/89/75/868188975.db2.gz MCHFRCRHXXPGHD-IBGZPJMESA-N 1 1 393.491 3.746 20 5 GHBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442715900 868397909 /nfs/dbraw/zinc/39/79/09/868397909.db2.gz BYLPKNXTXFESSI-HNNXBMFYSA-N 1 1 385.489 3.912 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cncn3Cc3ccccc3)CC2)cc1 ZINC000445818497 869029985 /nfs/dbraw/zinc/02/99/85/869029985.db2.gz LIMXWSYMLBHDMR-UHFFFAOYSA-N 1 1 392.459 3.883 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000524424119 869052133 /nfs/dbraw/zinc/05/21/33/869052133.db2.gz MEJZIAZHAHKWNM-GOSISDBHSA-N 1 1 391.265 3.973 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000524424119 869052141 /nfs/dbraw/zinc/05/21/41/869052141.db2.gz MEJZIAZHAHKWNM-GOSISDBHSA-N 1 1 391.265 3.973 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475701790 882291845 /nfs/dbraw/zinc/29/18/45/882291845.db2.gz ZVUHQABJVPWONW-INIZCTEOSA-N 1 1 386.448 3.518 20 5 GHBDMO C[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1Cc1ccccc1 ZINC000524709355 869476652 /nfs/dbraw/zinc/47/66/52/869476652.db2.gz JSVYOQKYWLBKGH-INIZCTEOSA-N 1 1 392.459 3.813 20 5 GHBDMO Cc1[nH+]ccn1CCCN(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462493708 869554060 /nfs/dbraw/zinc/55/40/60/869554060.db2.gz JDMAYJAQXCIWHN-UHFFFAOYSA-N 1 1 381.436 3.600 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441020211 869764277 /nfs/dbraw/zinc/76/42/77/869764277.db2.gz MQYFNRUZJNSGLK-MGPUTAFESA-N 1 1 383.448 3.556 20 5 GHBDMO CNc1c(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000462778687 870050594 /nfs/dbraw/zinc/05/05/94/870050594.db2.gz WEXNJYOCSPWMDK-MRXNPFEDSA-N 1 1 388.512 3.753 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ccc1[N+](=O)[O-] ZINC000462837954 870188667 /nfs/dbraw/zinc/18/86/67/870188667.db2.gz RAFNWNOGXUMEJG-AWEZNQCLSA-N 1 1 377.391 3.958 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ccc1[N+](=O)[O-] ZINC000462837954 870188672 /nfs/dbraw/zinc/18/86/72/870188672.db2.gz RAFNWNOGXUMEJG-AWEZNQCLSA-N 1 1 377.391 3.958 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(Cc3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000540045649 870300780 /nfs/dbraw/zinc/30/07/80/870300780.db2.gz MSDVRMMASSIYOI-INIZCTEOSA-N 1 1 382.464 3.580 20 5 GHBDMO CCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000538720387 870416927 /nfs/dbraw/zinc/41/69/27/870416927.db2.gz WPZWUIZBVZGNMP-GDIGMMSISA-N 1 1 378.469 3.638 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000461727121 870849950 /nfs/dbraw/zinc/84/99/50/870849950.db2.gz NTDDHVPDFRSEFL-MRXNPFEDSA-N 1 1 384.480 3.650 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000463116207 870952044 /nfs/dbraw/zinc/95/20/44/870952044.db2.gz PBHASHQSXVHIPY-UHFFFAOYSA-N 1 1 387.455 3.539 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1cccs1 ZINC000525572830 870992380 /nfs/dbraw/zinc/99/23/80/870992380.db2.gz HLUDWVYGGNYTGK-AUUYWEPGSA-N 1 1 398.488 3.951 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CCCC[N@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169011555 871094514 /nfs/dbraw/zinc/09/45/14/871094514.db2.gz KYAYDTCZINXGSL-DLBZAZTESA-N 1 1 381.517 3.687 20 5 GHBDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001169152525 871264194 /nfs/dbraw/zinc/26/41/94/871264194.db2.gz LRKNMUIPBOAEDB-CABCVRRESA-N 1 1 386.448 3.999 20 5 GHBDMO Cc1cccc(NCCNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[nH+]1 ZINC001202497814 882504658 /nfs/dbraw/zinc/50/46/58/882504658.db2.gz LGKCEZYDSPTHMD-UHFFFAOYSA-N 1 1 383.330 3.551 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000181994440 871715365 /nfs/dbraw/zinc/71/53/65/871715365.db2.gz LTZPCOUJOYOCJA-LLVKDONJSA-N 1 1 379.363 3.561 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462169515 871730954 /nfs/dbraw/zinc/73/09/54/871730954.db2.gz GZEYXDNYMBOOIS-KXBFYZLASA-N 1 1 399.516 3.957 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000463434002 871737661 /nfs/dbraw/zinc/73/76/61/871737661.db2.gz LFXIEFUEXREOAO-OCCSQVGLSA-N 1 1 389.374 3.595 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000463434002 871737667 /nfs/dbraw/zinc/73/76/67/871737667.db2.gz LFXIEFUEXREOAO-OCCSQVGLSA-N 1 1 389.374 3.595 20 5 GHBDMO C[C@H](CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N(C)Cc1ccccc1 ZINC000447529827 871762400 /nfs/dbraw/zinc/76/24/00/871762400.db2.gz LCBHDMGDPJOSMH-HOJAQTOUSA-N 1 1 385.512 3.775 20 5 GHBDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001195064508 872144493 /nfs/dbraw/zinc/14/44/93/872144493.db2.gz HTFREJAZXWQVHO-HNNXBMFYSA-N 1 1 382.526 3.905 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001195384661 872382671 /nfs/dbraw/zinc/38/26/71/872382671.db2.gz AQJCDMMIZPYCEK-MRXNPFEDSA-N 1 1 378.469 3.950 20 5 GHBDMO Cc1c(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000794233654 882640537 /nfs/dbraw/zinc/64/05/37/882640537.db2.gz OTRDUYRVESBVDR-UHFFFAOYSA-N 1 1 392.799 3.779 20 5 GHBDMO COC(=O)c1cnc(Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000478285852 872775618 /nfs/dbraw/zinc/77/56/18/872775618.db2.gz RIMZPPCZAWJJSJ-CQSZACIVSA-N 1 1 384.436 3.894 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000541056844 872810556 /nfs/dbraw/zinc/81/05/56/872810556.db2.gz LWWOUBYCCLICRX-IRXDYDNUSA-N 1 1 393.528 3.802 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000619722902 872922228 /nfs/dbraw/zinc/92/22/28/872922228.db2.gz WEHFNDGPMXDLNY-CQSZACIVSA-N 1 1 388.443 3.655 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000619722902 872922233 /nfs/dbraw/zinc/92/22/33/872922233.db2.gz WEHFNDGPMXDLNY-CQSZACIVSA-N 1 1 388.443 3.655 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@](F)(CO)C3)o2)c(Br)c1 ZINC000619846877 873074988 /nfs/dbraw/zinc/07/49/88/873074988.db2.gz IHKZTXITWPGQQO-INIZCTEOSA-N 1 1 399.216 3.524 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@](F)(CO)C3)o2)c(Br)c1 ZINC000619846877 873075005 /nfs/dbraw/zinc/07/50/05/873075005.db2.gz IHKZTXITWPGQQO-INIZCTEOSA-N 1 1 399.216 3.524 20 5 GHBDMO C[N@H+](CC(=O)NCc1ccco1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000768194299 873161634 /nfs/dbraw/zinc/16/16/34/873161634.db2.gz UHTCZHZTJNEHIK-UHFFFAOYSA-N 1 1 385.445 3.665 20 5 GHBDMO C[N@@H+](CC(=O)NCc1ccco1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000768194299 873161638 /nfs/dbraw/zinc/16/16/38/873161638.db2.gz UHTCZHZTJNEHIK-UHFFFAOYSA-N 1 1 385.445 3.665 20 5 GHBDMO C[N@@H+](CCOC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Cc1ccc(F)cc1 ZINC000769131002 873831911 /nfs/dbraw/zinc/83/19/11/873831911.db2.gz LYKFGMGSRIXXMN-UHFFFAOYSA-N 1 1 383.379 3.571 20 5 GHBDMO CC[N@@H+](CCC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1)CC1CC1 ZINC000541579573 873867323 /nfs/dbraw/zinc/86/73/23/873867323.db2.gz WKQHCRDEOHVNLL-UHFFFAOYSA-N 1 1 383.496 3.876 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541610578 873946687 /nfs/dbraw/zinc/94/66/87/873946687.db2.gz ORKXZIFRFQWWDU-ZOBUZTSGSA-N 1 1 385.439 3.789 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccccc2C)CC1 ZINC000541703340 874143947 /nfs/dbraw/zinc/14/39/47/874143947.db2.gz FODGKTWFMYSSLX-UHFFFAOYSA-N 1 1 383.448 3.730 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)nc2c1 ZINC000769735265 874272433 /nfs/dbraw/zinc/27/24/33/874272433.db2.gz WCGZEILGWODFNC-KDOFPFPSSA-N 1 1 384.436 3.932 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)nc2c1 ZINC000769735265 874272439 /nfs/dbraw/zinc/27/24/39/874272439.db2.gz WCGZEILGWODFNC-KDOFPFPSSA-N 1 1 384.436 3.932 20 5 GHBDMO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001198695088 874559093 /nfs/dbraw/zinc/55/90/93/874559093.db2.gz JDZWSZVGQQPWQO-UHFFFAOYSA-N 1 1 381.448 3.955 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000443660733 874766478 /nfs/dbraw/zinc/76/64/78/874766478.db2.gz RHTZEQSBALSWQD-INIZCTEOSA-N 1 1 389.839 3.730 20 5 GHBDMO COCC[N@H+](C)CCCC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542041567 874805597 /nfs/dbraw/zinc/80/55/97/874805597.db2.gz LAMGPHWFWDBSBP-UHFFFAOYSA-N 1 1 383.920 3.819 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542041567 874805610 /nfs/dbraw/zinc/80/56/10/874805610.db2.gz LAMGPHWFWDBSBP-UHFFFAOYSA-N 1 1 383.920 3.819 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000449520264 874992422 /nfs/dbraw/zinc/99/24/22/874992422.db2.gz RQOYHMZCUYETPD-CVEARBPZSA-N 1 1 382.407 3.977 20 5 GHBDMO C[C@H](C1CC1)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000542209903 875185670 /nfs/dbraw/zinc/18/56/70/875185670.db2.gz PONPXBGJUSAORC-MRXNPFEDSA-N 1 1 388.489 3.669 20 5 GHBDMO C[C@H](C1CC1)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000542209903 875185681 /nfs/dbraw/zinc/18/56/81/875185681.db2.gz PONPXBGJUSAORC-MRXNPFEDSA-N 1 1 388.489 3.669 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000465181997 875258765 /nfs/dbraw/zinc/25/87/65/875258765.db2.gz FGBJHSJJLSHYLX-HNNXBMFYSA-N 1 1 399.447 3.576 20 5 GHBDMO O=C([C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000771466416 875297487 /nfs/dbraw/zinc/29/74/87/875297487.db2.gz DIFAXFHSNILTTK-QGZVFWFLSA-N 1 1 391.899 3.863 20 5 GHBDMO CC(C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H](O)c1ccc(F)cc1 ZINC000776099632 875338640 /nfs/dbraw/zinc/33/86/40/875338640.db2.gz BJCVJWYOYSNDOQ-IBGZPJMESA-N 1 1 386.427 3.802 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000771631141 875348001 /nfs/dbraw/zinc/34/80/01/875348001.db2.gz MSWCXWPBKSIYRD-GFCCVEGCSA-N 1 1 393.465 3.741 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000771631141 875348012 /nfs/dbraw/zinc/34/80/12/875348012.db2.gz MSWCXWPBKSIYRD-GFCCVEGCSA-N 1 1 393.465 3.741 20 5 GHBDMO CCc1ccc(C2=CC[N@H+](Cn3nc(C)c4cc([N+](=O)[O-])cnc43)CC2)cc1 ZINC000771623676 875349212 /nfs/dbraw/zinc/34/92/12/875349212.db2.gz HVYFXUZQLOCTGU-UHFFFAOYSA-N 1 1 377.448 3.957 20 5 GHBDMO CCc1ccc(C2=CC[N@@H+](Cn3nc(C)c4cc([N+](=O)[O-])cnc43)CC2)cc1 ZINC000771623676 875349223 /nfs/dbraw/zinc/34/92/23/875349223.db2.gz HVYFXUZQLOCTGU-UHFFFAOYSA-N 1 1 377.448 3.957 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000026345287 875564807 /nfs/dbraw/zinc/56/48/07/875564807.db2.gz YTFDQSPKBDWCHN-GFCCVEGCSA-N 1 1 393.390 3.903 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000804534121 882999388 /nfs/dbraw/zinc/99/93/88/882999388.db2.gz MVLXMBIFXNOGRG-QFIPXVFZSA-N 1 1 397.450 3.781 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000450280399 876213166 /nfs/dbraw/zinc/21/31/66/876213166.db2.gz YFRGAEZHBOWBOF-RDJZCZTQSA-N 1 1 393.365 3.789 20 5 GHBDMO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492175561 876375300 /nfs/dbraw/zinc/37/53/00/876375300.db2.gz KPNUEWLBIBXVKI-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO O=C([C@H]1CC12CC[NH+](Cc1c(Cl)cccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000492177396 876380683 /nfs/dbraw/zinc/38/06/83/876380683.db2.gz YRLZTKIPPFBVHQ-MRXNPFEDSA-N 1 1 391.899 3.863 20 5 GHBDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000492238700 876496201 /nfs/dbraw/zinc/49/62/01/876496201.db2.gz WLPDKOGZVNYYQD-ZDUSSCGKSA-N 1 1 389.477 3.784 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000492238700 876496203 /nfs/dbraw/zinc/49/62/03/876496203.db2.gz WLPDKOGZVNYYQD-ZDUSSCGKSA-N 1 1 389.477 3.784 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)c2)C[C@H](C)O1 ZINC000609974837 877234648 /nfs/dbraw/zinc/23/46/48/877234648.db2.gz BFRJCQYEJJHYPW-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)c2)C[C@H](C)O1 ZINC000609974837 877234667 /nfs/dbraw/zinc/23/46/67/877234667.db2.gz BFRJCQYEJJHYPW-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO Cc1cc(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)cc([N+](=O)[O-])c1 ZINC000609976051 877239594 /nfs/dbraw/zinc/23/95/94/877239594.db2.gz SXOVQOPSUQAVQE-HZPDHXFCSA-N 1 1 383.448 3.765 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000787405535 877399730 /nfs/dbraw/zinc/39/97/30/877399730.db2.gz FRQHBKOKDCBABC-MJSCBBHESA-N 1 1 375.469 3.845 20 5 GHBDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000746713081 877713787 /nfs/dbraw/zinc/71/37/87/877713787.db2.gz QWOFMLIVIQRAJJ-SJLPKXTDSA-N 1 1 393.443 3.807 20 5 GHBDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000746713081 877713797 /nfs/dbraw/zinc/71/37/97/877713797.db2.gz QWOFMLIVIQRAJJ-SJLPKXTDSA-N 1 1 393.443 3.807 20 5 GHBDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000746713076 877713855 /nfs/dbraw/zinc/71/38/55/877713855.db2.gz QWOFMLIVIQRAJJ-AEFFLSMTSA-N 1 1 393.443 3.807 20 5 GHBDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000746713076 877713864 /nfs/dbraw/zinc/71/38/64/877713864.db2.gz QWOFMLIVIQRAJJ-AEFFLSMTSA-N 1 1 393.443 3.807 20 5 GHBDMO C[C@H]1CCC[C@@](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000237691065 877803394 /nfs/dbraw/zinc/80/33/94/877803394.db2.gz XWCGQZUTTTUYSE-HRAATJIYSA-N 1 1 385.512 3.595 20 5 GHBDMO Cc1noc(C[NH+]2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000851737846 877886189 /nfs/dbraw/zinc/88/61/89/877886189.db2.gz PPQOVUKBJQUSDR-HNNXBMFYSA-N 1 1 394.472 3.503 20 5 GHBDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cc(F)ccc1F ZINC000179787245 878016033 /nfs/dbraw/zinc/01/60/33/878016033.db2.gz XJLWBKMXQWPHAV-BZNIZROVSA-N 1 1 393.390 3.950 20 5 GHBDMO C[C@@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000788508973 878115239 /nfs/dbraw/zinc/11/52/39/878115239.db2.gz LJEGXWVLICCILC-CQSZACIVSA-N 1 1 391.468 3.926 20 5 GHBDMO Cc1noc(C[N@@H+]2CC3(C[C@@H]2C)CCN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] ZINC000852191838 878129508 /nfs/dbraw/zinc/12/95/08/878129508.db2.gz LALKQUDZSBVSRZ-ZDUSSCGKSA-N 1 1 394.472 3.503 20 5 GHBDMO CC[N@H+](Cc1cccc(Br)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579871 878193603 /nfs/dbraw/zinc/19/36/03/878193603.db2.gz PAOBELQHNWWQLT-KRWDZBQOSA-N 1 1 379.254 3.913 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)nc1 ZINC000093534481 912322538 /nfs/dbraw/zinc/32/25/38/912322538.db2.gz QLDKBEBVKSUGER-IBGZPJMESA-N 1 1 375.432 3.738 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000795682459 912330610 /nfs/dbraw/zinc/33/06/10/912330610.db2.gz XLAMTLOPEZDWFC-BRWVUGGUSA-N 1 1 379.416 3.728 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000530672936 878300419 /nfs/dbraw/zinc/30/04/19/878300419.db2.gz BDQIYFFTEPLQRU-MGPUTAFESA-N 1 1 392.459 3.717 20 5 GHBDMO O=C(N1CCC[C@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000852473195 878352244 /nfs/dbraw/zinc/35/22/44/878352244.db2.gz KCWBCAJXYFVHFU-GOEBONIOSA-N 1 1 399.413 3.750 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)cc1 ZINC000852476265 878362071 /nfs/dbraw/zinc/36/20/71/878362071.db2.gz JXXXLWRUZMLFAV-SFHVURJKSA-N 1 1 381.457 3.810 20 5 GHBDMO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000451706770 878370122 /nfs/dbraw/zinc/37/01/22/878370122.db2.gz KOIDCRCBHSPEFT-MRXNPFEDSA-N 1 1 380.448 3.690 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000537858423 878401729 /nfs/dbraw/zinc/40/17/29/878401729.db2.gz ZQACVNQALQNPSS-HNNXBMFYSA-N 1 1 397.353 3.671 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000537858423 878401736 /nfs/dbraw/zinc/40/17/36/878401736.db2.gz ZQACVNQALQNPSS-HNNXBMFYSA-N 1 1 397.353 3.671 20 5 GHBDMO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000053778709 878735007 /nfs/dbraw/zinc/73/50/07/878735007.db2.gz HPXCQTHNHBPKRW-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000053778709 878735024 /nfs/dbraw/zinc/73/50/24/878735024.db2.gz HPXCQTHNHBPKRW-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO COc1ccc(OCC[NH+]2CC(c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 ZINC000538038651 878740349 /nfs/dbraw/zinc/74/03/49/878740349.db2.gz YTJLIHZPAXCMMT-UHFFFAOYSA-N 1 1 385.445 3.691 20 5 GHBDMO O=[N+]([O-])c1cn(C[NH+]2CCC(c3cccc(F)c3)CC2)nc1-c1ccccn1 ZINC000853500988 879067119 /nfs/dbraw/zinc/06/71/19/879067119.db2.gz BKTBSSZSTOVDRG-UHFFFAOYSA-N 1 1 381.411 3.830 20 5 GHBDMO COc1ccc(CC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1[N+](=O)[O-] ZINC000531255963 879443100 /nfs/dbraw/zinc/44/31/00/879443100.db2.gz CTOMCZOXBMYETJ-AWEZNQCLSA-N 1 1 394.431 3.517 20 5 GHBDMO C[C@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000494060062 879867497 /nfs/dbraw/zinc/86/74/97/879867497.db2.gz KVGDRXZZWCQSDU-HNAYVOBHSA-N 1 1 394.475 3.562 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3C)cc2[N+](=O)[O-])cc1 ZINC000609450481 883208604 /nfs/dbraw/zinc/20/86/04/883208604.db2.gz ZBBNBDIZDRORBM-OAHLLOKOSA-N 1 1 385.489 3.831 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[N@H+](C)C[C@H]3C)cc2[N+](=O)[O-])cc1 ZINC000609450481 883208622 /nfs/dbraw/zinc/20/86/22/883208622.db2.gz ZBBNBDIZDRORBM-OAHLLOKOSA-N 1 1 385.489 3.831 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001129828781 883242550 /nfs/dbraw/zinc/24/25/50/883242550.db2.gz NNWVNMNRSFWADV-HNNXBMFYSA-N 1 1 387.867 3.903 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001129828781 883242564 /nfs/dbraw/zinc/24/25/64/883242564.db2.gz NNWVNMNRSFWADV-HNNXBMFYSA-N 1 1 387.867 3.903 20 5 GHBDMO CC(C)NC(=O)c1ccc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000609512845 883311928 /nfs/dbraw/zinc/31/19/28/883311928.db2.gz VGFOKRBVRBHOBP-MRXNPFEDSA-N 1 1 384.480 3.665 20 5 GHBDMO CCOc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000609704716 883562706 /nfs/dbraw/zinc/56/27/06/883562706.db2.gz AQXJXJGEJYQOGX-UHFFFAOYSA-N 1 1 389.883 3.965 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCS[C@H](c4ccccc4)C3)n2)cc1 ZINC000609800781 883661398 /nfs/dbraw/zinc/66/13/98/883661398.db2.gz SRMYFKUOHMOERH-KRWDZBQOSA-N 1 1 382.445 3.935 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCS[C@H](c4ccccc4)C3)n2)cc1 ZINC000609800781 883661403 /nfs/dbraw/zinc/66/14/03/883661403.db2.gz SRMYFKUOHMOERH-KRWDZBQOSA-N 1 1 382.445 3.935 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848937 883726944 /nfs/dbraw/zinc/72/69/44/883726944.db2.gz QHFBJNAOUGVJPJ-UWJYYQICSA-N 1 1 397.475 3.677 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848937 883726955 /nfs/dbraw/zinc/72/69/55/883726955.db2.gz QHFBJNAOUGVJPJ-UWJYYQICSA-N 1 1 397.475 3.677 20 5 GHBDMO Cc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1[N+](=O)[O-] ZINC000598397307 883758913 /nfs/dbraw/zinc/75/89/13/883758913.db2.gz RMYIQFXAZDHIHK-IBGZPJMESA-N 1 1 393.487 3.935 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000609909092 883791105 /nfs/dbraw/zinc/79/11/05/883791105.db2.gz NYJZGNPXFKZCCM-HNNXBMFYSA-N 1 1 387.867 3.524 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000609909092 883791113 /nfs/dbraw/zinc/79/11/13/883791113.db2.gz NYJZGNPXFKZCCM-HNNXBMFYSA-N 1 1 387.867 3.524 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1cccc(Br)c1)Cc1ccccc1[N+](=O)[O-] ZINC000609894466 883805537 /nfs/dbraw/zinc/80/55/37/883805537.db2.gz PJUPORJNXQPBSO-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO C[NH+](C)C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000859848007 884120000 /nfs/dbraw/zinc/12/00/00/884120000.db2.gz ZJWXDGJXPVUREO-ROUUACIJSA-N 1 1 398.290 3.828 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000859930036 884179885 /nfs/dbraw/zinc/17/98/85/884179885.db2.gz PDMQALXFAOPVGD-TWKWOARYSA-N 1 1 395.459 3.666 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000476319423 884417543 /nfs/dbraw/zinc/41/75/43/884417543.db2.gz BQCVZVFHLLQISL-QGZVFWFLSA-N 1 1 394.431 3.861 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1csc([N+](=O)[O-])c1 ZINC000612127880 884444137 /nfs/dbraw/zinc/44/41/37/884444137.db2.gz AHOMLIFNZNMUNM-BPQIPLTHSA-N 1 1 385.489 3.687 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000495124865 884602741 /nfs/dbraw/zinc/60/27/41/884602741.db2.gz XWPNNXMSGMGIMV-WMZOPIPTSA-N 1 1 397.475 3.634 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000026250738 885364558 /nfs/dbraw/zinc/36/45/58/885364558.db2.gz CGVUWWIFLQDXEI-UHFFFAOYSA-N 1 1 383.857 3.779 20 5 GHBDMO C[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593049807 885738115 /nfs/dbraw/zinc/73/81/15/885738115.db2.gz OUMCRJIKPRHIBC-IBGZPJMESA-N 1 1 375.856 3.507 20 5 GHBDMO CSc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC001168308189 885833533 /nfs/dbraw/zinc/83/35/33/885833533.db2.gz FNPCFSMZRVRNJV-KRWDZBQOSA-N 1 1 388.489 3.721 20 5 GHBDMO CSc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC001168308189 885833546 /nfs/dbraw/zinc/83/35/46/885833546.db2.gz FNPCFSMZRVRNJV-KRWDZBQOSA-N 1 1 388.489 3.721 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000532538194 885936956 /nfs/dbraw/zinc/93/69/56/885936956.db2.gz LRLODJMQOOPPIG-CQSZACIVSA-N 1 1 396.919 3.627 20 5 GHBDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000747469303 886135168 /nfs/dbraw/zinc/13/51/68/886135168.db2.gz ZIXXLTYHVHDDRH-LPHOPBHVSA-N 1 1 377.448 3.764 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc([N+](=O)[O-])cc3F)C2)s1 ZINC000556827064 886273164 /nfs/dbraw/zinc/27/31/64/886273164.db2.gz CICPBXYBFRIIFJ-CQSZACIVSA-N 1 1 391.468 3.698 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c2nonc21 ZINC000762562080 886392741 /nfs/dbraw/zinc/39/27/41/886392741.db2.gz XQCKPQOFRIXCSF-UHFFFAOYSA-N 1 1 393.447 3.624 20 5 GHBDMO CCOC(=O)[C@@H](C)C(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001184216395 913076827 /nfs/dbraw/zinc/07/68/27/913076827.db2.gz ISOSIATYSSQFHS-AWEZNQCLSA-N 1 1 379.460 3.900 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000808794242 886789292 /nfs/dbraw/zinc/78/92/92/886789292.db2.gz HUXGKFHRQMNVFX-IBGZPJMESA-N 1 1 378.831 3.814 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000808794242 886789299 /nfs/dbraw/zinc/78/92/99/886789299.db2.gz HUXGKFHRQMNVFX-IBGZPJMESA-N 1 1 378.831 3.814 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272386330 887357578 /nfs/dbraw/zinc/35/75/78/887357578.db2.gz WCUIQLCBFIWSNN-RDJZCZTQSA-N 1 1 399.516 3.957 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1 ZINC000272391812 887358946 /nfs/dbraw/zinc/35/89/46/887358946.db2.gz IWXOFEODAUYSLJ-UHFFFAOYSA-N 1 1 382.363 3.546 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153754182 887693780 /nfs/dbraw/zinc/69/37/80/887693780.db2.gz WNMSHWQCJUSQME-UHFFFAOYSA-N 1 1 375.856 3.972 20 5 GHBDMO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272545649 887715773 /nfs/dbraw/zinc/71/57/73/887715773.db2.gz QBBOWHCHAZCVBQ-MZMPZRCHSA-N 1 1 386.477 3.581 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC000796028297 913183143 /nfs/dbraw/zinc/18/31/43/913183143.db2.gz BYXAQDUDNXXFHT-OKILXGFUSA-N 1 1 381.860 3.547 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC000796028297 913183148 /nfs/dbraw/zinc/18/31/48/913183148.db2.gz BYXAQDUDNXXFHT-OKILXGFUSA-N 1 1 381.860 3.547 20 5 GHBDMO COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810163867 888254215 /nfs/dbraw/zinc/25/42/15/888254215.db2.gz LCEUZTKEGBALFR-JLTOFOAXSA-N 1 1 393.484 3.586 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000763303214 888485247 /nfs/dbraw/zinc/48/52/47/888485247.db2.gz XKQSDQQUCVRNSD-IRXDYDNUSA-N 1 1 392.431 3.605 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000763303214 888485253 /nfs/dbraw/zinc/48/52/53/888485253.db2.gz XKQSDQQUCVRNSD-IRXDYDNUSA-N 1 1 392.431 3.605 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000865988795 888680455 /nfs/dbraw/zinc/68/04/55/888680455.db2.gz FYBXQHRECKAHAN-VQIMIIECSA-N 1 1 399.466 3.788 20 5 GHBDMO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@H+]1CCCC[C@@H]1C ZINC000032735340 888749261 /nfs/dbraw/zinc/74/92/61/888749261.db2.gz VEEQTQUJVYHTDE-ROUUACIJSA-N 1 1 391.515 3.534 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000532795694 889003676 /nfs/dbraw/zinc/00/36/76/889003676.db2.gz QHXWIZNTGBGZKR-FXAWDEMLSA-N 1 1 396.491 3.695 20 5 GHBDMO CC[C@H](C)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000533056784 889640898 /nfs/dbraw/zinc/64/08/98/889640898.db2.gz DMQSNNSZUBVINQ-HNNXBMFYSA-N 1 1 396.447 3.923 20 5 GHBDMO CC[C@H](C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000533056784 889640903 /nfs/dbraw/zinc/64/09/03/889640903.db2.gz DMQSNNSZUBVINQ-HNNXBMFYSA-N 1 1 396.447 3.923 20 5 GHBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001133015047 889978594 /nfs/dbraw/zinc/97/85/94/889978594.db2.gz UQVBLAQDZRGUPT-INIZCTEOSA-N 1 1 385.489 3.878 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000917075445 890972885 /nfs/dbraw/zinc/97/28/85/890972885.db2.gz OCWPLDVTAVSNEI-IYBDPMFKSA-N 1 1 388.512 3.657 20 5 GHBDMO CC(C)(CCc1noc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1)[N+](=O)[O-] ZINC000812813666 890973881 /nfs/dbraw/zinc/97/38/81/890973881.db2.gz PCTDOVRPYJYCPV-OAHLLOKOSA-N 1 1 376.432 3.576 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812854710 891048962 /nfs/dbraw/zinc/04/89/62/891048962.db2.gz VQIIMNAVNXGQEW-KKSFZXQISA-N 1 1 385.464 3.676 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872281267 891226575 /nfs/dbraw/zinc/22/65/75/891226575.db2.gz ZENGOTADFOBMRW-GOSISDBHSA-N 1 1 375.469 3.655 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])cn1 ZINC001184958575 913546760 /nfs/dbraw/zinc/54/67/60/913546760.db2.gz REOJSTXTYJGWME-UHFFFAOYSA-N 1 1 394.822 3.720 20 5 GHBDMO O=C(CCCOc1ccccc1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170506 891330842 /nfs/dbraw/zinc/33/08/42/891330842.db2.gz PXBYKEQIVZMROL-FQEVSTJZSA-N 1 1 384.432 3.572 20 5 GHBDMO O=C(CCCOc1ccccc1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170506 891330859 /nfs/dbraw/zinc/33/08/59/891330859.db2.gz PXBYKEQIVZMROL-FQEVSTJZSA-N 1 1 384.432 3.572 20 5 GHBDMO Cc1ccc(N2CCC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000917211924 891629800 /nfs/dbraw/zinc/62/98/00/891629800.db2.gz NRBSLFVRGSMTIA-UHFFFAOYSA-N 1 1 396.491 3.753 20 5 GHBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000192456389 892465989 /nfs/dbraw/zinc/46/59/89/892465989.db2.gz LBXBWNKTHVGRQV-WIYYLYMNSA-N 1 1 395.459 3.620 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]2C1 ZINC000814678031 893062065 /nfs/dbraw/zinc/06/20/65/893062065.db2.gz KPDFYYVOUKYQCT-IYBDPMFKSA-N 1 1 393.459 3.813 20 5 GHBDMO C[N@@H+](Cc1cccc(Br)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000918182796 893317580 /nfs/dbraw/zinc/31/75/80/893317580.db2.gz UFWWQCFOXMGTCD-UHFFFAOYSA-N 1 1 375.226 3.797 20 5 GHBDMO C[N@H+](Cc1cccc(Br)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000918182796 893317598 /nfs/dbraw/zinc/31/75/98/893317598.db2.gz UFWWQCFOXMGTCD-UHFFFAOYSA-N 1 1 375.226 3.797 20 5 GHBDMO O=C(N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1csc([N+](=O)[O-])c1 ZINC001134821975 893330287 /nfs/dbraw/zinc/33/02/87/893330287.db2.gz YQSWNWVQWQMBRY-RYRKJORJSA-N 1 1 385.489 3.687 20 5 GHBDMO CC(C)CNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000815010521 893334423 /nfs/dbraw/zinc/33/44/23/893334423.db2.gz UHULOPBZACMSEW-UHFFFAOYSA-N 1 1 387.402 3.598 20 5 GHBDMO Cc1cnc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)nc1 ZINC000533885364 893396385 /nfs/dbraw/zinc/39/63/85/893396385.db2.gz WIQSAUJBKLHFHH-UHFFFAOYSA-N 1 1 395.488 3.744 20 5 GHBDMO COc1cc(CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000536665590 893478182 /nfs/dbraw/zinc/47/81/82/893478182.db2.gz SBDZQJKIQWKULA-KRWDZBQOSA-N 1 1 399.491 3.708 20 5 GHBDMO CCc1nsc(N2CCC[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000536665061 893479529 /nfs/dbraw/zinc/47/95/29/893479529.db2.gz OTXGXEUXVAQIMT-UHFFFAOYSA-N 1 1 389.525 3.844 20 5 GHBDMO CCc1nsc(N2CCC[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000536665061 893479533 /nfs/dbraw/zinc/47/95/33/893479533.db2.gz OTXGXEUXVAQIMT-UHFFFAOYSA-N 1 1 389.525 3.844 20 5 GHBDMO CC(C)Cn1cc([C@H]2[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000877633052 893734372 /nfs/dbraw/zinc/73/43/72/893734372.db2.gz XOOAVAPLNHPZKA-OAQYLSRUSA-N 1 1 398.507 3.844 20 5 GHBDMO C[C@@H](C[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)OC(C)(C)C ZINC000459800948 894214021 /nfs/dbraw/zinc/21/40/21/894214021.db2.gz GDNWHDSOTSYSKO-AWEZNQCLSA-N 1 1 389.452 3.702 20 5 GHBDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878437263 894290344 /nfs/dbraw/zinc/29/03/44/894290344.db2.gz SPCJIURYIUYIEF-CQSZACIVSA-N 1 1 399.476 3.585 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC001135267432 894298450 /nfs/dbraw/zinc/29/84/50/894298450.db2.gz XCOKYCRDFVGJGK-KDURUIRLSA-N 1 1 377.872 3.505 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCOCC3(CCCC3)C2)o1 ZINC000878454760 894306003 /nfs/dbraw/zinc/30/60/03/894306003.db2.gz HSVKZXSWSZGFLS-UHFFFAOYSA-N 1 1 392.843 3.691 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCOCC3(CCCC3)C2)o1 ZINC000878454760 894306019 /nfs/dbraw/zinc/30/60/19/894306019.db2.gz HSVKZXSWSZGFLS-UHFFFAOYSA-N 1 1 392.843 3.691 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000537245239 894647193 /nfs/dbraw/zinc/64/71/93/894647193.db2.gz VMOPYWSXZSZKMK-UHFFFAOYSA-N 1 1 377.510 3.725 20 5 GHBDMO O=[N+]([O-])c1ccc(Cn2cc(C[NH2+][C@@H]3CCCc4ccccc43)nn2)cc1F ZINC000881213954 896241147 /nfs/dbraw/zinc/24/11/47/896241147.db2.gz VGRAGOYIZRMVIN-LJQANCHMSA-N 1 1 381.411 3.541 20 5 GHBDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819100956 896376672 /nfs/dbraw/zinc/37/66/72/896376672.db2.gz XMORMIFSAXWJMP-JOCHJYFZSA-N 1 1 395.459 3.643 20 5 GHBDMO COc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000567154317 896920811 /nfs/dbraw/zinc/92/08/11/896920811.db2.gz MWJMUHGNDVBFAU-SFHVURJKSA-N 1 1 397.475 3.636 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC001136256338 896922041 /nfs/dbraw/zinc/92/20/41/896922041.db2.gz VZUJQCHFDOBVKU-UHFFFAOYSA-N 1 1 385.811 3.709 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000568402696 897808084 /nfs/dbraw/zinc/80/80/84/897808084.db2.gz RHDOAZAWQGWGGF-SFHVURJKSA-N 1 1 397.475 3.636 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000043347173 898483808 /nfs/dbraw/zinc/48/38/08/898483808.db2.gz QISNWFAQHWUAAD-UHFFFAOYSA-N 1 1 382.464 3.951 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC001170997134 898717769 /nfs/dbraw/zinc/71/77/69/898717769.db2.gz GRQLEZRIXZLDPG-IRXDYDNUSA-N 1 1 393.528 3.944 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001136811611 899353614 /nfs/dbraw/zinc/35/36/14/899353614.db2.gz KMAUBWVWGMTNDE-HZPDHXFCSA-N 1 1 377.460 3.769 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC001186203807 914360113 /nfs/dbraw/zinc/36/01/13/914360113.db2.gz UGYNNWJHLWFXKU-FQEVSTJZSA-N 1 1 383.448 3.704 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000570984051 899701829 /nfs/dbraw/zinc/70/18/29/899701829.db2.gz BDZXKHNHMKSRRI-FUHWJXTLSA-N 1 1 397.475 3.885 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@H]1C ZINC001136945747 899817293 /nfs/dbraw/zinc/81/72/93/899817293.db2.gz YIOHHAPMAQDGCB-NVXWUHKLSA-N 1 1 382.464 3.602 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000843841016 900271632 /nfs/dbraw/zinc/27/16/32/900271632.db2.gz VIPLEMMYGKBVBN-QAPCUYQASA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000843841016 900271642 /nfs/dbraw/zinc/27/16/42/900271642.db2.gz VIPLEMMYGKBVBN-QAPCUYQASA-N 1 1 391.830 3.871 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137026553 900776040 /nfs/dbraw/zinc/77/60/40/900776040.db2.gz YHSQGZDZQMGKCG-OAQYLSRUSA-N 1 1 380.448 3.583 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)n1 ZINC000886691653 901230245 /nfs/dbraw/zinc/23/02/45/901230245.db2.gz JXVLEVWNHJTVHC-AWEZNQCLSA-N 1 1 399.476 3.864 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)n1 ZINC000886691653 901230258 /nfs/dbraw/zinc/23/02/58/901230258.db2.gz JXVLEVWNHJTVHC-AWEZNQCLSA-N 1 1 399.476 3.864 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)co2)cc1 ZINC000576506234 902065753 /nfs/dbraw/zinc/06/57/53/902065753.db2.gz NMTVLZUZPZWYSV-HXUWFJFHSA-N 1 1 390.443 3.887 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000778950442 902097616 /nfs/dbraw/zinc/09/76/16/902097616.db2.gz KHTSBPMWSZWQQI-CVEARBPZSA-N 1 1 393.484 3.729 20 5 GHBDMO Cc1c(CC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC001144496803 902257559 /nfs/dbraw/zinc/25/75/59/902257559.db2.gz HUIYJWOVIZFJHG-UHFFFAOYSA-N 1 1 381.476 3.569 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000577030302 902447207 /nfs/dbraw/zinc/44/72/07/902447207.db2.gz VGGKHNUDPJLHQM-SFHVURJKSA-N 1 1 389.883 3.945 20 5 GHBDMO C[C@H]([NH2+]C(C)(C)CNCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000577386045 902729071 /nfs/dbraw/zinc/72/90/71/902729071.db2.gz PGGLZEZARSYIPA-INIZCTEOSA-N 1 1 384.480 3.642 20 5 GHBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001147472887 903793502 /nfs/dbraw/zinc/79/35/02/903793502.db2.gz ULXDGBWSMOJNQE-INIZCTEOSA-N 1 1 383.448 3.849 20 5 GHBDMO CCOc1cc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000578712229 904071061 /nfs/dbraw/zinc/07/10/61/904071061.db2.gz CFGQECBRTPTOOW-INIZCTEOSA-N 1 1 376.375 3.519 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578758041 904102896 /nfs/dbraw/zinc/10/28/96/904102896.db2.gz RKCCUEZWQRSWJK-FQEVSTJZSA-N 1 1 393.491 3.861 20 5 GHBDMO CC[N@@H+](CCC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1)CC(C)C ZINC000773269033 904637585 /nfs/dbraw/zinc/63/75/85/904637585.db2.gz XIQRTUUDNFINKO-UHFFFAOYSA-N 1 1 390.528 3.539 20 5 GHBDMO C/C(=C/C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000773274651 904658216 /nfs/dbraw/zinc/65/82/16/904658216.db2.gz QCVQEGLOTVVYOW-SQFISAMPSA-N 1 1 381.432 3.772 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000173804265 905130428 /nfs/dbraw/zinc/13/04/28/905130428.db2.gz BXURARZWCFYVCH-AWEZNQCLSA-N 1 1 388.493 3.522 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583333 921162319 /nfs/dbraw/zinc/16/23/19/921162319.db2.gz UBZRENVSUOCLAK-RTWAWAEBSA-N 1 1 383.492 3.519 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583333 921162326 /nfs/dbraw/zinc/16/23/26/921162326.db2.gz UBZRENVSUOCLAK-RTWAWAEBSA-N 1 1 383.492 3.519 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCCN(c3ccc(F)cn3)CC1)CC2 ZINC001172907519 905936334 /nfs/dbraw/zinc/93/63/34/905936334.db2.gz GRJZBPUFTZRCEQ-IBGZPJMESA-N 1 1 384.455 3.589 20 5 GHBDMO C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172917759 905989280 /nfs/dbraw/zinc/98/92/80/905989280.db2.gz WSGKPUNEOANXKA-IEBWSBKVSA-N 1 1 389.496 3.783 20 5 GHBDMO CCOC(=O)C[N@H+](Cc1ccsc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921777 905992582 /nfs/dbraw/zinc/99/25/82/905992582.db2.gz SVGRCBJBLWVTFB-SFHVURJKSA-N 1 1 388.489 3.969 20 5 GHBDMO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921777 905992592 /nfs/dbraw/zinc/99/25/92/905992592.db2.gz SVGRCBJBLWVTFB-SFHVURJKSA-N 1 1 388.489 3.969 20 5 GHBDMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922457 905993339 /nfs/dbraw/zinc/99/33/39/905993339.db2.gz XOYBGENMLLZVGS-FUHWJXTLSA-N 1 1 375.469 3.741 20 5 GHBDMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922457 905993347 /nfs/dbraw/zinc/99/33/47/905993347.db2.gz XOYBGENMLLZVGS-FUHWJXTLSA-N 1 1 375.469 3.741 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912517 906021967 /nfs/dbraw/zinc/02/19/67/906021967.db2.gz BEKVLHZAVOGKPY-HKUYNNGSSA-N 1 1 389.496 3.831 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](CCN(C)C)Cc2ccccc2)c1F ZINC001173185954 906266083 /nfs/dbraw/zinc/26/60/83/906266083.db2.gz QGGHLEHCJILOSL-MRXNPFEDSA-N 1 1 389.471 3.737 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](CCN(C)C)Cc2ccccc2)c1F ZINC001173185954 906266097 /nfs/dbraw/zinc/26/60/97/906266097.db2.gz QGGHLEHCJILOSL-MRXNPFEDSA-N 1 1 389.471 3.737 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CCCC(=O)c2cccnc2)c1F ZINC001173190474 906271111 /nfs/dbraw/zinc/27/11/11/906271111.db2.gz SZTFMTYGEXHQCV-AWEZNQCLSA-N 1 1 389.427 3.663 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1F ZINC001173193620 906278268 /nfs/dbraw/zinc/27/82/68/906278268.db2.gz UQZYXAWHQIAOCK-GJZGRUSLSA-N 1 1 389.427 3.530 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001173223568 906303979 /nfs/dbraw/zinc/30/39/79/906303979.db2.gz AYRPZNBMFGFXFH-FOIQADDNSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001173223831 906305719 /nfs/dbraw/zinc/30/57/19/906305719.db2.gz DBXGSKUZYHPKCU-MGPUTAFESA-N 1 1 385.489 3.716 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001173233814 906320141 /nfs/dbraw/zinc/32/01/41/906320141.db2.gz ZBTAFMTZPDXEEC-QAPCUYQASA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001173237741 906348526 /nfs/dbraw/zinc/34/85/26/906348526.db2.gz LSMDCSOZAQEJCZ-XIVBQZFQSA-N 1 1 389.496 3.761 20 5 GHBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181664183 907052016 /nfs/dbraw/zinc/05/20/16/907052016.db2.gz QHGICEZUFAIOBV-HUUCEWRRSA-N 1 1 382.464 3.526 20 5 GHBDMO CC1([C@H]2CCC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)OCCO1 ZINC000183245099 907356572 /nfs/dbraw/zinc/35/65/72/907356572.db2.gz GMHLGJHTEVOBDN-HNNXBMFYSA-N 1 1 389.477 3.693 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1OC ZINC001175293065 907464702 /nfs/dbraw/zinc/46/47/02/907464702.db2.gz WWGMUFPVWWRFEN-HZUJVAHNSA-N 1 1 392.496 3.623 20 5 GHBDMO CN(C[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001175774294 907737265 /nfs/dbraw/zinc/73/72/65/907737265.db2.gz CJDNQFVAJMDVMB-MRXNPFEDSA-N 1 1 393.484 3.695 20 5 GHBDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000185452882 907775196 /nfs/dbraw/zinc/77/51/96/907775196.db2.gz UNAKMIBGBKENLT-AWEZNQCLSA-N 1 1 399.476 3.585 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185525677 907786460 /nfs/dbraw/zinc/78/64/60/907786460.db2.gz APGXXONOFCGVAD-HNNXBMFYSA-N 1 1 394.431 3.689 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000192869232 907978908 /nfs/dbraw/zinc/97/89/08/907978908.db2.gz IGIDIJQEQVPYSV-TYCQWZJGSA-N 1 1 375.513 3.699 20 5 GHBDMO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000192869232 907978915 /nfs/dbraw/zinc/97/89/15/907978915.db2.gz IGIDIJQEQVPYSV-TYCQWZJGSA-N 1 1 375.513 3.699 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000192869232 907978928 /nfs/dbraw/zinc/97/89/28/907978928.db2.gz IGIDIJQEQVPYSV-TYCQWZJGSA-N 1 1 375.513 3.699 20 5 GHBDMO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000192869232 907978933 /nfs/dbraw/zinc/97/89/33/907978933.db2.gz IGIDIJQEQVPYSV-TYCQWZJGSA-N 1 1 375.513 3.699 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000773633843 908514396 /nfs/dbraw/zinc/51/43/96/908514396.db2.gz ZJANGXIQITYLFL-UHFFFAOYSA-N 1 1 393.459 3.957 20 5 GHBDMO CCCn1cc[nH+]c1CCCN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000192234862 908741894 /nfs/dbraw/zinc/74/18/94/908741894.db2.gz FNLHPVFPGVXSRG-UHFFFAOYSA-N 1 1 399.495 3.506 20 5 GHBDMO CC[N@H+](CCNCc1c(Br)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC001178473044 909072163 /nfs/dbraw/zinc/07/21/63/909072163.db2.gz MJGABSBCVFQGOD-UHFFFAOYSA-N 1 1 398.223 3.721 20 5 GHBDMO CC[N@@H+](CCNCc1c(Br)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC001178473044 909072180 /nfs/dbraw/zinc/07/21/80/909072180.db2.gz MJGABSBCVFQGOD-UHFFFAOYSA-N 1 1 398.223 3.721 20 5 GHBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](CCO)c1ccccc1 ZINC000266607999 909230135 /nfs/dbraw/zinc/23/01/35/909230135.db2.gz HDMJNYQQOOCKSF-IBGZPJMESA-N 1 1 381.432 3.848 20 5 GHBDMO COc1c(O)ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC001179988263 909855239 /nfs/dbraw/zinc/85/52/39/909855239.db2.gz CPCOWYJCRLXRRP-UHFFFAOYSA-N 1 1 378.469 3.870 20 5 GHBDMO CC(C)(C)[C@@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795451003 910378875 /nfs/dbraw/zinc/37/88/75/910378875.db2.gz PNCJBXILXKMZNF-GFCCVEGCSA-N 1 1 396.285 3.639 20 5 GHBDMO COc1ccc(C[NH2+][C@@H](C)c2cc(Br)ncc2F)cc1[N+](=O)[O-] ZINC000273911174 911102231 /nfs/dbraw/zinc/10/22/31/911102231.db2.gz XQEPXEBXWLXGLK-VIFPVBQESA-N 1 1 384.205 3.751 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000274216905 911265184 /nfs/dbraw/zinc/26/51/84/911265184.db2.gz JBNWCHPSHYUTLZ-HLAWJBBLSA-N 1 1 392.459 3.928 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1)CC(C)C ZINC000801937306 921650221 /nfs/dbraw/zinc/65/02/21/921650221.db2.gz JNVRWMAINARMLZ-UHFFFAOYSA-N 1 1 394.491 3.536 20 5 GHBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093277522 912151687 /nfs/dbraw/zinc/15/16/87/912151687.db2.gz ASQAKGLSPVXEQX-QGZVFWFLSA-N 1 1 385.489 3.910 20 5 GHBDMO Cc1cc(N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC001186922922 914903208 /nfs/dbraw/zinc/90/32/08/914903208.db2.gz SGTODLVHNLITAZ-SFTDATJTSA-N 1 1 385.439 3.522 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)c1 ZINC000796361755 914994099 /nfs/dbraw/zinc/99/40/99/914994099.db2.gz HQTYMLGCIUCLPP-PKTZIBPZSA-N 1 1 392.455 3.864 20 5 GHBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(N2CCCNC2=O)cc1 ZINC000291166076 915014277 /nfs/dbraw/zinc/01/42/77/915014277.db2.gz GGVMLVPUHVLYHD-ZDUSSCGKSA-N 1 1 395.419 3.507 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001187362484 915196968 /nfs/dbraw/zinc/19/69/68/915196968.db2.gz ZHGDKPYGMAICLD-SFHVURJKSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001187362484 915196974 /nfs/dbraw/zinc/19/69/74/915196974.db2.gz ZHGDKPYGMAICLD-SFHVURJKSA-N 1 1 392.459 3.764 20 5 GHBDMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001187379956 915205956 /nfs/dbraw/zinc/20/59/56/915205956.db2.gz HEKPOWYEOATOAC-UHFFFAOYSA-N 1 1 398.850 3.824 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)nc2c1 ZINC000292001138 915466731 /nfs/dbraw/zinc/46/67/31/915466731.db2.gz XIUIGBWWQIJODW-OAQYLSRUSA-N 1 1 381.432 3.553 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)nc2c1 ZINC000292001138 915466740 /nfs/dbraw/zinc/46/67/40/915466740.db2.gz XIUIGBWWQIJODW-OAQYLSRUSA-N 1 1 381.432 3.553 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000292039028 915489076 /nfs/dbraw/zinc/48/90/76/915489076.db2.gz AGFADZCQEXXITF-UHFFFAOYSA-N 1 1 379.363 3.660 20 5 GHBDMO CN(C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000292135280 915531055 /nfs/dbraw/zinc/53/10/55/915531055.db2.gz LTLJVFRDBRJWHK-UHFFFAOYSA-N 1 1 384.461 3.692 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000294010835 916526597 /nfs/dbraw/zinc/52/65/97/916526597.db2.gz GQUQROWRBOZSDN-INIZCTEOSA-N 1 1 381.354 3.800 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000294010835 916526600 /nfs/dbraw/zinc/52/66/00/916526600.db2.gz GQUQROWRBOZSDN-INIZCTEOSA-N 1 1 381.354 3.800 20 5 GHBDMO Cc1ccccc1[C@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000796418168 916802340 /nfs/dbraw/zinc/80/23/40/916802340.db2.gz OYBLNHNZSWUJPD-IIBYNOLFSA-N 1 1 397.475 3.676 20 5 GHBDMO Cc1ccccc1[C@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000796419708 916835526 /nfs/dbraw/zinc/83/55/26/916835526.db2.gz TWYCOVVYBAQNIP-IIBYNOLFSA-N 1 1 397.475 3.676 20 5 GHBDMO Cc1ccccc1[C@@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000796419703 916835874 /nfs/dbraw/zinc/83/58/74/916835874.db2.gz TWYCOVVYBAQNIP-IERDGZPVSA-N 1 1 397.475 3.676 20 5 GHBDMO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000295144614 917168998 /nfs/dbraw/zinc/16/89/98/917168998.db2.gz BJHMFNWRNYGPRW-LRDDRELGSA-N 1 1 397.397 3.703 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC001275869564 919028061 /nfs/dbraw/zinc/02/80/61/919028061.db2.gz SJXNOFIFHJKKHG-HNNXBMFYSA-N 1 1 387.867 3.903 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC001275869564 919028098 /nfs/dbraw/zinc/02/80/98/919028098.db2.gz SJXNOFIFHJKKHG-HNNXBMFYSA-N 1 1 387.867 3.903 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3COc3ccccc3)n2)cc1 ZINC000112984191 919352095 /nfs/dbraw/zinc/35/20/95/919352095.db2.gz FNPCKZKPMJPRCT-KRWDZBQOSA-N 1 1 380.404 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3COc3ccccc3)n2)cc1 ZINC000112984191 919352113 /nfs/dbraw/zinc/35/21/13/919352113.db2.gz FNPCKZKPMJPRCT-KRWDZBQOSA-N 1 1 380.404 3.688 20 5 GHBDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335899 919538232 /nfs/dbraw/zinc/53/82/32/919538232.db2.gz ZXQMWSNBTVQVBQ-LBPRGKRZSA-N 1 1 391.374 3.864 20 5 GHBDMO CC[C@H]1c2ccsc2CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335498 919538599 /nfs/dbraw/zinc/53/85/99/919538599.db2.gz TXNIZOYJQKMJOA-HNNXBMFYSA-N 1 1 387.461 3.964 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)/C(C)=C\c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000800567530 920278010 /nfs/dbraw/zinc/27/80/10/920278010.db2.gz MGYWRBGCVNHPKM-XLEIFJPLSA-N 1 1 379.460 3.734 20 5 GHBDMO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCC2 ZINC000368088743 922467327 /nfs/dbraw/zinc/46/73/27/922467327.db2.gz ZUKXGJUGAFSYQR-IBGZPJMESA-N 1 1 396.447 3.865 20 5 GHBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000369247812 923229975 /nfs/dbraw/zinc/22/99/75/923229975.db2.gz CTMYEABWFMYZEZ-UHFFFAOYSA-N 1 1 385.471 3.520 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccnc(-n4ccnc4)c3)cs2)c1 ZINC000369295047 923256742 /nfs/dbraw/zinc/25/67/42/923256742.db2.gz SYRMCMGFZRIQJF-UHFFFAOYSA-N 1 1 392.444 3.589 20 5 GHBDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000748316938 923569479 /nfs/dbraw/zinc/56/94/79/923569479.db2.gz JEVKVNNIYTYSOG-INIZCTEOSA-N 1 1 377.485 3.512 20 5 GHBDMO CC(C)Oc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000411142478 926122821 /nfs/dbraw/zinc/12/28/21/926122821.db2.gz WYYYBFYUUBQLNC-KRWDZBQOSA-N 1 1 387.436 3.542 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000411153112 926138691 /nfs/dbraw/zinc/13/86/91/926138691.db2.gz IUIZIZQPXJKMIC-IBGZPJMESA-N 1 1 399.447 3.778 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000725787226 926437757 /nfs/dbraw/zinc/43/77/57/926437757.db2.gz GMZNNRCPSROCPE-UHFFFAOYSA-N 1 1 396.491 3.939 20 5 GHBDMO CCC[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCc2ccccc21 ZINC000726590210 926747097 /nfs/dbraw/zinc/74/70/97/926747097.db2.gz UAEVIEXOXBTILM-IBGZPJMESA-N 1 1 379.416 3.548 20 5 GHBDMO CCC[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCc2ccccc21 ZINC000726590210 926747104 /nfs/dbraw/zinc/74/71/04/926747104.db2.gz UAEVIEXOXBTILM-IBGZPJMESA-N 1 1 379.416 3.548 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412146193 927147507 /nfs/dbraw/zinc/14/75/07/927147507.db2.gz FCNJWWVYGIMVAR-BVYCBKJFSA-N 1 1 393.487 3.679 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000749603748 927209681 /nfs/dbraw/zinc/20/96/81/927209681.db2.gz SSWJVUSYTMDGOC-GOSISDBHSA-N 1 1 388.512 3.579 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374878574 927644304 /nfs/dbraw/zinc/64/43/04/927644304.db2.gz NZTGHNXFZFQJRR-UHFFFAOYSA-N 1 1 392.818 3.633 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000751034453 927992723 /nfs/dbraw/zinc/99/27/23/927992723.db2.gz AQTSGTXSURJLLK-QAPCUYQASA-N 1 1 384.505 3.934 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 ZINC000751113637 928035440 /nfs/dbraw/zinc/03/54/40/928035440.db2.gz YFCTZTIORFRFHL-CQSZACIVSA-N 1 1 393.447 3.646 20 5 GHBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752072232 928584669 /nfs/dbraw/zinc/58/46/69/928584669.db2.gz ZPGKOWOJRQPFQO-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752072232 928584677 /nfs/dbraw/zinc/58/46/77/928584677.db2.gz ZPGKOWOJRQPFQO-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000752082973 928598579 /nfs/dbraw/zinc/59/85/79/928598579.db2.gz PJDDPHZXAMOLNU-OCCSQVGLSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000752082973 928598588 /nfs/dbraw/zinc/59/85/88/928598588.db2.gz PJDDPHZXAMOLNU-OCCSQVGLSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000752082969 928598850 /nfs/dbraw/zinc/59/88/50/928598850.db2.gz PJDDPHZXAMOLNU-GXTWGEPZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000752082969 928598854 /nfs/dbraw/zinc/59/88/54/928598854.db2.gz PJDDPHZXAMOLNU-GXTWGEPZSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc([N+](=O)[O-])c1 ZINC000467032488 928620262 /nfs/dbraw/zinc/62/02/62/928620262.db2.gz MDZXIVLYOUSYIP-UHFFFAOYSA-N 1 1 392.253 3.980 20 5 GHBDMO C[C@H](CCc1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000544023798 928698882 /nfs/dbraw/zinc/69/88/82/928698882.db2.gz MIFWCYHSODGEGJ-MRXNPFEDSA-N 1 1 385.439 3.513 20 5 GHBDMO COc1ccc(C2CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)cc1 ZINC000467158101 928770250 /nfs/dbraw/zinc/77/02/50/928770250.db2.gz AHUUOAJYNCUHRN-UHFFFAOYSA-N 1 1 383.448 3.730 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000544088246 928791152 /nfs/dbraw/zinc/79/11/52/928791152.db2.gz GYVMZBXRGZMDFL-HNNXBMFYSA-N 1 1 391.880 3.643 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000544088246 928791158 /nfs/dbraw/zinc/79/11/58/928791158.db2.gz GYVMZBXRGZMDFL-HNNXBMFYSA-N 1 1 391.880 3.643 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000544110998 928818359 /nfs/dbraw/zinc/81/83/59/928818359.db2.gz JLKDLSOOUDDSJO-JLTOFOAXSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000544110998 928818367 /nfs/dbraw/zinc/81/83/67/928818367.db2.gz JLKDLSOOUDDSJO-JLTOFOAXSA-N 1 1 383.448 3.933 20 5 GHBDMO C[C@H]([NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467837610 929488438 /nfs/dbraw/zinc/48/84/38/929488438.db2.gz DMJCALWIZDFXML-PGRDOPGGSA-N 1 1 382.508 3.624 20 5 GHBDMO CC1(c2ccccc2)CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000753806539 929544000 /nfs/dbraw/zinc/54/40/00/929544000.db2.gz YISBNHCHCCUPHG-UHFFFAOYSA-N 1 1 377.448 3.865 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000757737719 929786835 /nfs/dbraw/zinc/78/68/35/929786835.db2.gz DFQZJJBYBUKASB-INIZCTEOSA-N 1 1 377.485 3.982 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000757775458 929796046 /nfs/dbraw/zinc/79/60/46/929796046.db2.gz HMQVLOWPVGBSAT-AEFFLSMTSA-N 1 1 375.469 3.877 20 5 GHBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[N@H+]1Cc1ccccc1 ZINC000757785519 929798502 /nfs/dbraw/zinc/79/85/02/929798502.db2.gz CQTLOUJYABDOCE-WBVHZDCISA-N 1 1 396.447 3.626 20 5 GHBDMO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470675430 930814566 /nfs/dbraw/zinc/81/45/66/930814566.db2.gz ZKABCHYTSSEURG-IBGZPJMESA-N 1 1 396.491 3.520 20 5 GHBDMO Cc1c(CC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000557115548 931217884 /nfs/dbraw/zinc/21/78/84/931217884.db2.gz IEPSFYMMZQSQKY-QHCPKHFHSA-N 1 1 393.487 3.570 20 5 GHBDMO COc1ccc2c(c1)CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000782487851 931240318 /nfs/dbraw/zinc/24/03/18/931240318.db2.gz LMCBEEXVRALMGA-UHFFFAOYSA-N 1 1 387.411 3.520 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000782895385 931360185 /nfs/dbraw/zinc/36/01/85/931360185.db2.gz PZCXOGUNCDORIK-HXUWFJFHSA-N 1 1 393.447 3.829 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000782895385 931360192 /nfs/dbraw/zinc/36/01/92/931360192.db2.gz PZCXOGUNCDORIK-HXUWFJFHSA-N 1 1 393.447 3.829 20 5 GHBDMO Cc1ccc(OCCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000557392703 931397257 /nfs/dbraw/zinc/39/72/57/931397257.db2.gz ABMYVHDGPHFCMP-HXUWFJFHSA-N 1 1 380.448 3.785 20 5 GHBDMO C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000557458976 931443440 /nfs/dbraw/zinc/44/34/40/931443440.db2.gz GSLPGEWAFSEFSG-UZLBHIALSA-N 1 1 393.443 3.939 20 5 GHBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000557482835 931462856 /nfs/dbraw/zinc/46/28/56/931462856.db2.gz BHTYJYIGJBXGQG-UHFFFAOYSA-N 1 1 392.390 3.944 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)c1 ZINC000784006504 931751933 /nfs/dbraw/zinc/75/19/33/931751933.db2.gz GTNUROMURQFFRS-DJJJIMSYSA-N 1 1 381.436 3.697 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000784007684 931752481 /nfs/dbraw/zinc/75/24/81/931752481.db2.gz KNHMHBOMWLBVJP-FOIQADDNSA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000784007684 931752492 /nfs/dbraw/zinc/75/24/92/931752492.db2.gz KNHMHBOMWLBVJP-FOIQADDNSA-N 1 1 393.447 3.903 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000784141709 931796010 /nfs/dbraw/zinc/79/60/10/931796010.db2.gz DSKJOZOGENFUSC-UHFFFAOYSA-N 1 1 396.419 3.548 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000784141709 931796014 /nfs/dbraw/zinc/79/60/14/931796014.db2.gz DSKJOZOGENFUSC-UHFFFAOYSA-N 1 1 396.419 3.548 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)sc2C1 ZINC000784144478 931797481 /nfs/dbraw/zinc/79/74/81/931797481.db2.gz SCOSVPRIGYCJAR-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)sc2C1 ZINC000784144478 931797486 /nfs/dbraw/zinc/79/74/86/931797486.db2.gz SCOSVPRIGYCJAR-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000784184526 931808442 /nfs/dbraw/zinc/80/84/42/931808442.db2.gz GQLSRWIGDBPMBS-GOSISDBHSA-N 1 1 394.427 3.653 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000784184530 931808714 /nfs/dbraw/zinc/80/87/14/931808714.db2.gz GQLSRWIGDBPMBS-SFHVURJKSA-N 1 1 394.427 3.653 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cc([N+](=O)[O-])ccc1F ZINC000784328855 931857621 /nfs/dbraw/zinc/85/76/21/931857621.db2.gz SLAQYMVMEVBMJK-OZOXKJRCSA-N 1 1 397.450 3.764 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000784504588 931916517 /nfs/dbraw/zinc/91/65/17/931916517.db2.gz AHDVIHWJKFWXTR-MZMPZRCHSA-N 1 1 393.459 3.859 20 5 GHBDMO O=C(NC1CCCCC1)OC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796681434 932028817 /nfs/dbraw/zinc/02/88/17/932028817.db2.gz DNTQKLZPVJUEIU-MRXNPFEDSA-N 1 1 379.432 3.757 20 5 GHBDMO O=C(NC1CCCCC1)OC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796681434 932028825 /nfs/dbraw/zinc/02/88/25/932028825.db2.gz DNTQKLZPVJUEIU-MRXNPFEDSA-N 1 1 379.432 3.757 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000797337707 932253701 /nfs/dbraw/zinc/25/37/01/932253701.db2.gz LDSHQOTZGQVGIB-FQEVSTJZSA-N 1 1 382.460 3.981 20 5 GHBDMO C[C@@]1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000799013647 932852244 /nfs/dbraw/zinc/85/22/44/932852244.db2.gz VHLDQHPUSFYJJG-QFIPXVFZSA-N 1 1 392.459 3.718 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000799359062 932966203 /nfs/dbraw/zinc/96/62/03/932966203.db2.gz PQPVCJRBXLKWTQ-MRXNPFEDSA-N 1 1 393.484 3.600 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799359537 932968819 /nfs/dbraw/zinc/96/88/19/932968819.db2.gz WICSNVMLOHXCQU-HNNXBMFYSA-N 1 1 393.484 3.730 20 5 GHBDMO CN(CCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000560518614 933308337 /nfs/dbraw/zinc/30/83/37/933308337.db2.gz HTVWRBXVKGQZLI-FQEVSTJZSA-N 1 1 397.454 3.673 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1Cc1ccccc1 ZINC001116220030 933411138 /nfs/dbraw/zinc/41/11/38/933411138.db2.gz WYJBOONIWCKKEQ-OXQOHEQNSA-N 1 1 394.475 3.673 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)o1 ZINC001116512435 933602698 /nfs/dbraw/zinc/60/26/98/933602698.db2.gz OECCOEHSRIXJHM-UHFFFAOYSA-N 1 1 378.812 3.847 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2CCCC3(C2)OCCO3)o1 ZINC001116512435 933602706 /nfs/dbraw/zinc/60/27/06/933602706.db2.gz OECCOEHSRIXJHM-UHFFFAOYSA-N 1 1 378.812 3.847 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000561107725 933873613 /nfs/dbraw/zinc/87/36/13/933873613.db2.gz PFZRLGYKMBOKBF-IBGZPJMESA-N 1 1 385.464 3.691 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)cc1 ZINC000777955909 934384305 /nfs/dbraw/zinc/38/43/05/934384305.db2.gz BVDXTFKYCZUCDU-GOSISDBHSA-N 1 1 378.432 3.914 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931167436 934410357 /nfs/dbraw/zinc/41/03/57/934410357.db2.gz AKQNSVBUWKNMPQ-RBUKOAKNSA-N 1 1 397.500 3.886 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931167434 934410640 /nfs/dbraw/zinc/41/06/40/934410640.db2.gz AKQNSVBUWKNMPQ-MOPGFXCFSA-N 1 1 397.500 3.886 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC001125229337 935554413 /nfs/dbraw/zinc/55/44/13/935554413.db2.gz CHMNECSMLRZYEM-MRXNPFEDSA-N 1 1 383.473 3.942 20 5 GHBDMO CC(C)c1ccc(C[NH+]2CC(C)(c3nnc(-c4cccnc4)o3)C2)cc1[N+](=O)[O-] ZINC000828041440 935568544 /nfs/dbraw/zinc/56/85/44/935568544.db2.gz XWMQUDMYTGWMFW-UHFFFAOYSA-N 1 1 393.447 3.937 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1F ZINC000828994845 935752442 /nfs/dbraw/zinc/75/24/42/935752442.db2.gz JLBWOGVORWXMQX-OAHLLOKOSA-N 1 1 389.402 3.528 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1F ZINC000829477496 935815318 /nfs/dbraw/zinc/81/53/18/935815318.db2.gz OJJIYWPKVNULFG-AWEZNQCLSA-N 1 1 391.418 3.822 20 5 GHBDMO CCC[N@@H+](CC)Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1 ZINC000545078500 1015494198 /nfs/dbraw/zinc/49/41/98/1015494198.db2.gz KEXQHUSVXKGZJB-UHFFFAOYSA-N 1 1 381.436 3.863 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000545161085 1015596701 /nfs/dbraw/zinc/59/67/01/1015596701.db2.gz JCPANLIEPRQYSA-UHFFFAOYSA-N 1 1 377.510 3.869 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H]1C ZINC000470155678 1016739910 /nfs/dbraw/zinc/73/99/10/1016739910.db2.gz BKMCIZLABFPMQL-SMDDNHRTSA-N 1 1 378.812 3.892 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001227043324 1032249151 /nfs/dbraw/zinc/24/91/51/1032249151.db2.gz CXHPBZAAAVLYAK-REPLKXPHSA-N 1 1 396.443 3.956 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001227298554 1032361118 /nfs/dbraw/zinc/36/11/18/1032361118.db2.gz SJBBLNCMPQRBLW-MRXNPFEDSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001227298554 1032361132 /nfs/dbraw/zinc/36/11/32/1032361132.db2.gz SJBBLNCMPQRBLW-MRXNPFEDSA-N 1 1 390.823 3.688 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227371615 1032392844 /nfs/dbraw/zinc/39/28/44/1032392844.db2.gz SDYXWVUFGILFMS-AWEZNQCLSA-N 1 1 384.823 3.845 20 5 GHBDMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)C1 ZINC001155996014 1032828956 /nfs/dbraw/zinc/82/89/56/1032828956.db2.gz JJIRGPVIRVKSHI-CQSZACIVSA-N 1 1 380.517 3.952 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000157988435 1019888280 /nfs/dbraw/zinc/88/82/80/1019888280.db2.gz OFPMGHKTAXBUDU-MRXNPFEDSA-N 1 1 383.448 3.730 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000835068021 1021846990 /nfs/dbraw/zinc/84/69/90/1021846990.db2.gz CNOIITWXHXRITL-HOCLYGCPSA-N 1 1 393.484 3.586 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000755936298 1023442658 /nfs/dbraw/zinc/44/26/58/1023442658.db2.gz ZZGPCNYEGZRQBR-GOSISDBHSA-N 1 1 392.463 3.541 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000755936298 1023442668 /nfs/dbraw/zinc/44/26/68/1023442668.db2.gz ZZGPCNYEGZRQBR-GOSISDBHSA-N 1 1 392.463 3.541 20 5 GHBDMO C[N@@H+](CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1 ZINC000756914970 1023863278 /nfs/dbraw/zinc/86/32/78/1023863278.db2.gz BPVRNXDTYXKXNX-UHFFFAOYSA-N 1 1 390.871 3.570 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001138122330 1024163968 /nfs/dbraw/zinc/16/39/68/1024163968.db2.gz ZHLKRLKRUUXLPE-QGZVFWFLSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001138122330 1024163982 /nfs/dbraw/zinc/16/39/82/1024163982.db2.gz ZHLKRLKRUUXLPE-QGZVFWFLSA-N 1 1 387.867 3.985 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000830879234 1024212184 /nfs/dbraw/zinc/21/21/84/1024212184.db2.gz ZYUATTSIIYDOSD-INIZCTEOSA-N 1 1 387.867 3.809 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539617 1024629218 /nfs/dbraw/zinc/62/92/18/1024629218.db2.gz SUITXIBKEXMLBT-GDBMZVCRSA-N 1 1 398.419 3.710 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539617 1024629225 /nfs/dbraw/zinc/62/92/25/1024629225.db2.gz SUITXIBKEXMLBT-GDBMZVCRSA-N 1 1 398.419 3.710 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)c1 ZINC000831594552 1024670653 /nfs/dbraw/zinc/67/06/53/1024670653.db2.gz VTSHKEUBURJETL-MAUKXSAKSA-N 1 1 391.265 3.880 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001229058672 1033255496 /nfs/dbraw/zinc/25/54/96/1033255496.db2.gz CEDDQFCAOIFEON-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001229058672 1033255507 /nfs/dbraw/zinc/25/55/07/1033255507.db2.gz CEDDQFCAOIFEON-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838906051 1025433680 /nfs/dbraw/zinc/43/36/80/1025433680.db2.gz HZLYGCOWVGMETO-IYBDPMFKSA-N 1 1 394.493 3.507 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC001162530603 1025782273 /nfs/dbraw/zinc/78/22/73/1025782273.db2.gz JUEGDOWZFQJXNO-IRXDYDNUSA-N 1 1 398.507 3.538 20 5 GHBDMO CC[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001162726051 1025893938 /nfs/dbraw/zinc/89/39/38/1025893938.db2.gz VPBRTVIHCIOTDU-PXNSSMCTSA-N 1 1 395.463 3.563 20 5 GHBDMO CC[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001162726051 1025893959 /nfs/dbraw/zinc/89/39/59/1025893959.db2.gz VPBRTVIHCIOTDU-PXNSSMCTSA-N 1 1 395.463 3.563 20 5 GHBDMO CC1(Nc2c[n+]([O-])ccc2[N+](=O)[O-])C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001162853523 1025939209 /nfs/dbraw/zinc/93/92/09/1025939209.db2.gz CXWHRCKLQZSYJA-UHFFFAOYSA-N 1 1 390.443 3.504 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1n1ccnc1 ZINC000839524972 1026009694 /nfs/dbraw/zinc/00/96/94/1026009694.db2.gz OBLHWZQVUAWZSR-WFASDCNBSA-N 1 1 379.258 3.637 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1n1ccnc1 ZINC000839524972 1026009714 /nfs/dbraw/zinc/00/97/14/1026009714.db2.gz OBLHWZQVUAWZSR-WFASDCNBSA-N 1 1 379.258 3.637 20 5 GHBDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000839644123 1026153820 /nfs/dbraw/zinc/15/38/20/1026153820.db2.gz USSXUNYKBKWVFA-GOSISDBHSA-N 1 1 394.258 3.531 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001141706404 1026303337 /nfs/dbraw/zinc/30/33/37/1026303337.db2.gz FWAAEASEBZQVIA-NHCUHLMSSA-N 1 1 381.476 3.855 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001163968708 1026374455 /nfs/dbraw/zinc/37/44/55/1026374455.db2.gz SXTLMGGJVFMKSB-KRWDZBQOSA-N 1 1 383.448 3.685 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001164480235 1026523060 /nfs/dbraw/zinc/52/30/60/1026523060.db2.gz OZOISILQTDCBGL-HRCADAONSA-N 1 1 385.439 3.857 20 5 GHBDMO CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2cc(C)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165109777 1026611756 /nfs/dbraw/zinc/61/17/56/1026611756.db2.gz WIAPOIRNIDBJHF-GOSISDBHSA-N 1 1 384.480 3.531 20 5 GHBDMO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001203254665 1027248327 /nfs/dbraw/zinc/24/83/27/1027248327.db2.gz JPXXMHVEUBQAOZ-UHFFFAOYSA-N 1 1 380.326 3.897 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001216794594 1029939364 /nfs/dbraw/zinc/93/93/64/1029939364.db2.gz BDFQVURYCYHJLC-UHFFFAOYSA-N 1 1 398.463 3.732 20 5 GHBDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001149578544 1030230294 /nfs/dbraw/zinc/23/02/94/1030230294.db2.gz IJWGZYUGADQVIQ-UHFFFAOYSA-N 1 1 384.480 3.729 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001222772557 1030303304 /nfs/dbraw/zinc/30/33/04/1030303304.db2.gz DRWCZQDQSGNZRR-HRAATJIYSA-N 1 1 398.459 3.809 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC001461677291 1069673083 /nfs/dbraw/zinc/67/30/83/1069673083.db2.gz KSLDMSBSMQDWTH-GOSISDBHSA-N 1 1 397.475 3.731 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC001461677291 1069673092 /nfs/dbraw/zinc/67/30/92/1069673092.db2.gz KSLDMSBSMQDWTH-GOSISDBHSA-N 1 1 397.475 3.731 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001223448017 1030578833 /nfs/dbraw/zinc/57/88/33/1030578833.db2.gz FBHJIQFCGCMZIS-YJBOKZPZSA-N 1 1 399.447 3.519 20 5 GHBDMO COC(=O)[C@H](O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001223640611 1030676686 /nfs/dbraw/zinc/67/66/86/1030676686.db2.gz WSURYUMNFSSMTM-MAODMQOUSA-N 1 1 398.459 3.736 20 5 GHBDMO COC(=O)c1cccc(CO[C@@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001223663013 1030692602 /nfs/dbraw/zinc/69/26/02/1030692602.db2.gz QKTYJKJHGCVCSQ-NVXWUHKLSA-N 1 1 399.447 3.519 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4CSC5(C[NH2+]C5)C4)ccc3c21 ZINC001218101275 1030772442 /nfs/dbraw/zinc/77/24/42/1030772442.db2.gz GAYIDZZGLMOBLL-CYBMUJFWSA-N 1 1 395.436 3.624 20 5 GHBDMO COC(=O)C1=C[C@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[N@@H+](Cc2ccccc2)C1 ZINC001224023033 1030853615 /nfs/dbraw/zinc/85/36/15/1030853615.db2.gz TWRSJEWFLMQDJT-KKSFZXQISA-N 1 1 396.443 3.656 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001224094825 1030882590 /nfs/dbraw/zinc/88/25/90/1030882590.db2.gz GGVMIRPZYSVYRI-QRWLVFNGSA-N 1 1 385.420 3.930 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4C[NH2+]CCC4(F)F)ccc3c21 ZINC001218449206 1030940934 /nfs/dbraw/zinc/94/09/34/1030940934.db2.gz RLZXNJOHBUIHTD-INIZCTEOSA-N 1 1 387.338 3.774 20 5 GHBDMO O=C(c1c2ccccc2cc2ccccc21)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001153488990 1031613810 /nfs/dbraw/zinc/61/38/10/1031613810.db2.gz KQBSHCMNLSVJBZ-OYRHEFFESA-N 1 1 386.495 3.928 20 5 GHBDMO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)c1cccc2nc3ccccc3nc21 ZINC001153865366 1031779504 /nfs/dbraw/zinc/77/95/04/1031779504.db2.gz BGNIDDUKQRYIMT-UHFFFAOYSA-N 1 1 384.483 3.987 20 5 GHBDMO Cc1nc(Cl)nc(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC001157060021 1033394502 /nfs/dbraw/zinc/39/45/02/1033394502.db2.gz QFSYSPRZGXEKNB-UHFFFAOYSA-N 1 1 393.850 3.587 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1-n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001157609393 1033689792 /nfs/dbraw/zinc/68/97/92/1033689792.db2.gz KIUJDNUSLKTXQK-UHFFFAOYSA-N 1 1 378.219 3.772 20 5 GHBDMO C[C@@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001230216225 1033947421 /nfs/dbraw/zinc/94/74/21/1033947421.db2.gz CGRYBKDUMJSFDU-JZXOWHBKSA-N 1 1 382.464 3.618 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC001207129831 1034114847 /nfs/dbraw/zinc/11/48/47/1034114847.db2.gz DYUOOTVHDUXBAH-UHFFFAOYSA-N 1 1 392.500 3.969 20 5 GHBDMO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001230602267 1034143993 /nfs/dbraw/zinc/14/39/93/1034143993.db2.gz YHUNWDAVJOJXKW-XAUMDUMWSA-N 1 1 378.432 3.761 20 5 GHBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001230602267 1034144002 /nfs/dbraw/zinc/14/40/02/1034144002.db2.gz YHUNWDAVJOJXKW-XAUMDUMWSA-N 1 1 378.432 3.761 20 5 GHBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001230602267 1034144010 /nfs/dbraw/zinc/14/40/10/1034144010.db2.gz YHUNWDAVJOJXKW-XAUMDUMWSA-N 1 1 378.432 3.761 20 5 GHBDMO CCOc1nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001159293006 1034528251 /nfs/dbraw/zinc/52/82/51/1034528251.db2.gz BVJILALSDYRCCN-NNZMDNLPSA-N 1 1 382.464 3.996 20 5 GHBDMO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC001160849972 1035079165 /nfs/dbraw/zinc/07/91/65/1035079165.db2.gz XAKMRDFQOJDJHQ-QHCPKHFHSA-N 1 1 398.510 3.992 20 5 GHBDMO CN(C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161063810 1035130517 /nfs/dbraw/zinc/13/05/17/1035130517.db2.gz NFRPNTTUIGSHGL-RJGXRXQPSA-N 1 1 375.516 3.591 20 5 GHBDMO COc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)nc1 ZINC001232225537 1035172458 /nfs/dbraw/zinc/17/24/58/1035172458.db2.gz DDSGBEIFENRQBJ-HXUWFJFHSA-N 1 1 386.455 3.840 20 5 GHBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001161885409 1035321902 /nfs/dbraw/zinc/32/19/02/1035321902.db2.gz NLWKGHRSKUMJEU-LBPRGKRZSA-N 1 1 382.251 3.768 20 5 GHBDMO Cc1cccc(C(=O)N2CCC[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 ZINC001462014878 1069946871 /nfs/dbraw/zinc/94/68/71/1069946871.db2.gz MTRNLERLNPXHGO-UHFFFAOYSA-N 1 1 381.476 3.868 20 5 GHBDMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 ZINC001462014878 1069946874 /nfs/dbraw/zinc/94/68/74/1069946874.db2.gz MTRNLERLNPXHGO-UHFFFAOYSA-N 1 1 381.476 3.868 20 5 GHBDMO Cc1nc(Nc2ccc([N+](=O)[O-])cc2Cl)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001248598356 1035981604 /nfs/dbraw/zinc/98/16/04/1035981604.db2.gz MERWQLMWPGGRME-GHMZBOCLSA-N 1 1 377.832 3.704 20 5 GHBDMO Cc1nc(Nc2ccc([N+](=O)[O-])cc2Cl)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001248598361 1035981704 /nfs/dbraw/zinc/98/17/04/1035981704.db2.gz MERWQLMWPGGRME-QWRGUYRKSA-N 1 1 377.832 3.704 20 5 GHBDMO Cc1ccc(F)cc1CN([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC001246953779 1037761009 /nfs/dbraw/zinc/76/10/09/1037761009.db2.gz CYTFREHMLCRDFP-JOCHJYFZSA-N 1 1 383.467 3.764 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1C ZINC001462228106 1070101170 /nfs/dbraw/zinc/10/11/70/1070101170.db2.gz AEHGOUCUUKQXKK-LJQANCHMSA-N 1 1 381.476 3.996 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001462253663 1070123401 /nfs/dbraw/zinc/12/34/01/1070123401.db2.gz DEZVRLJUGOLVMA-GOSISDBHSA-N 1 1 384.432 3.526 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001254237561 1040088392 /nfs/dbraw/zinc/08/83/92/1040088392.db2.gz HDACXTSAKIEJOL-MRXNPFEDSA-N 1 1 377.510 3.797 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCOC[C@H]3Cc3ccccc3)CC2)cc1 ZINC001254480889 1040268162 /nfs/dbraw/zinc/26/81/62/1040268162.db2.gz NZCMFTPWVUIXTF-JOCHJYFZSA-N 1 1 381.476 3.507 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3Cc4cnn(-c5ccccc5)c4C3)CC2)cc1 ZINC001254481731 1040270253 /nfs/dbraw/zinc/27/02/53/1040270253.db2.gz ZJECAVVIQIKRLV-UHFFFAOYSA-N 1 1 389.459 3.765 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3Cc4cnn(-c5ccccc5)c4C3)CC2)cc1 ZINC001254481731 1040270262 /nfs/dbraw/zinc/27/02/62/1040270262.db2.gz ZJECAVVIQIKRLV-UHFFFAOYSA-N 1 1 389.459 3.765 20 5 GHBDMO Cc1cccc(N2C[C@@]3(CC[N@H+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C3)CC2=O)c1 ZINC001254555101 1040324255 /nfs/dbraw/zinc/32/42/55/1040324255.db2.gz FRYIYIHAMLPAAU-MBSDFSHPSA-N 1 1 393.487 3.963 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001254559210 1040330629 /nfs/dbraw/zinc/33/06/29/1040330629.db2.gz JSABDTADGHYZPT-CVEARBPZSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254564408 1040339362 /nfs/dbraw/zinc/33/93/62/1040339362.db2.gz LRGSCERHONBIEH-VYDXJSESSA-N 1 1 377.485 3.761 20 5 GHBDMO COC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC001254567542 1040343811 /nfs/dbraw/zinc/34/38/11/1040343811.db2.gz WNIFDXVIMBIILA-KYNGSXCRSA-N 1 1 386.423 3.554 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001254608258 1040380377 /nfs/dbraw/zinc/38/03/77/1040380377.db2.gz QBBHISUANQEGOE-KJXAQDMKSA-N 1 1 377.488 3.516 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001254608258 1040380391 /nfs/dbraw/zinc/38/03/91/1040380391.db2.gz QBBHISUANQEGOE-KJXAQDMKSA-N 1 1 377.488 3.516 20 5 GHBDMO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001255291916 1040938787 /nfs/dbraw/zinc/93/87/87/1040938787.db2.gz FQAOIZMWBUIPSB-IAGOWNOFSA-N 1 1 382.464 3.744 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255437548 1041034854 /nfs/dbraw/zinc/03/48/54/1041034854.db2.gz MBTIBVNXFAGTQA-KRWDZBQOSA-N 1 1 378.432 3.867 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255438673 1041039285 /nfs/dbraw/zinc/03/92/85/1041039285.db2.gz TWRPPEZRYMSYEV-INIZCTEOSA-N 1 1 394.431 3.567 20 5 GHBDMO Cc1cccc(Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1[N+](=O)[O-] ZINC001255445862 1041048921 /nfs/dbraw/zinc/04/89/21/1041048921.db2.gz PENVWUWDIURSSP-GOSISDBHSA-N 1 1 378.432 3.867 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC001462522251 1070326081 /nfs/dbraw/zinc/32/60/81/1070326081.db2.gz KMJSIHKEEFOBNL-INIZCTEOSA-N 1 1 392.381 3.993 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC001462522251 1070326101 /nfs/dbraw/zinc/32/61/01/1070326101.db2.gz KMJSIHKEEFOBNL-INIZCTEOSA-N 1 1 392.381 3.993 20 5 GHBDMO COc1ccc2c(c1)CC[N@@H+](C1CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC1)C2 ZINC001256093026 1041522499 /nfs/dbraw/zinc/52/24/99/1041522499.db2.gz DCNXXJBRMGZCOY-UHFFFAOYSA-N 1 1 397.475 3.639 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CC[C@@H](F)C(F)(F)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256094200 1041523007 /nfs/dbraw/zinc/52/30/07/1041523007.db2.gz HMGPZRLIIHUBFG-QGZVFWFLSA-N 1 1 387.402 3.641 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@H]3c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC001256094530 1041523373 /nfs/dbraw/zinc/52/33/73/1041523373.db2.gz JGWQCCSQESBWLP-IBGZPJMESA-N 1 1 382.464 3.804 20 5 GHBDMO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000478839520 1044604296 /nfs/dbraw/zinc/60/42/96/1044604296.db2.gz YFKGAYLUVAZAFA-MEDUHNTESA-N 1 1 377.803 3.843 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001297116992 1045456542 /nfs/dbraw/zinc/45/65/42/1045456542.db2.gz QOGWXCSOCZIGJH-AWEZNQCLSA-N 1 1 383.851 3.914 20 5 GHBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001261654669 1046052275 /nfs/dbraw/zinc/05/22/75/1046052275.db2.gz YRQGDSKDYINMRU-GFCCVEGCSA-N 1 1 379.258 3.550 20 5 GHBDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001303313181 1047356571 /nfs/dbraw/zinc/35/65/71/1047356571.db2.gz MAAZGRFWQMBWPV-FQEVSTJZSA-N 1 1 385.439 3.572 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001266224316 1047718766 /nfs/dbraw/zinc/71/87/66/1047718766.db2.gz FRULBDLOFIMNQR-SJORKVTESA-N 1 1 397.475 3.729 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001266224316 1047718768 /nfs/dbraw/zinc/71/87/68/1047718768.db2.gz FRULBDLOFIMNQR-SJORKVTESA-N 1 1 397.475 3.729 20 5 GHBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC001306058569 1048380192 /nfs/dbraw/zinc/38/01/92/1048380192.db2.gz XBJBZBPZXHRTRA-HNNXBMFYSA-N 1 1 377.510 3.796 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001306960159 1048980631 /nfs/dbraw/zinc/98/06/31/1048980631.db2.gz XJKZMQDIHDKMCM-QGZVFWFLSA-N 1 1 394.450 3.681 20 5 GHBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC001307094491 1049070027 /nfs/dbraw/zinc/07/00/27/1049070027.db2.gz WGNAWJSPJBWHRB-SFHVURJKSA-N 1 1 392.459 3.846 20 5 GHBDMO CCc1cc(NC[C@H]2[N@@H+](C)CCCC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307113340 1049083594 /nfs/dbraw/zinc/08/35/94/1049083594.db2.gz ZKGSTCARLPLOEF-GOSISDBHSA-N 1 1 383.496 3.568 20 5 GHBDMO O=C(N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc([N+](=O)[O-])s1 ZINC001289683766 1049589039 /nfs/dbraw/zinc/58/90/39/1049589039.db2.gz PANCBEOMRGNPRU-IKGGRYGDSA-N 1 1 385.489 3.687 20 5 GHBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC001307900817 1049678310 /nfs/dbraw/zinc/67/83/10/1049678310.db2.gz MBYMVIXTWZHSID-PBHICJAKSA-N 1 1 390.867 3.650 20 5 GHBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC001307900819 1049678477 /nfs/dbraw/zinc/67/84/77/1049678477.db2.gz MBYMVIXTWZHSID-WMLDXEAASA-N 1 1 390.867 3.650 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC001307970359 1049729472 /nfs/dbraw/zinc/72/94/72/1049729472.db2.gz DYFHNTSXUKVFKH-AWEZNQCLSA-N 1 1 385.645 3.834 20 5 GHBDMO COC[C@@H](C)[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001307976681 1049735501 /nfs/dbraw/zinc/73/55/01/1049735501.db2.gz VDGXREBZSAGJCT-VFNWGFHPSA-N 1 1 398.459 3.906 20 5 GHBDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001308057482 1049806184 /nfs/dbraw/zinc/80/61/84/1049806184.db2.gz OKFFBYDIXKKNAS-NHCUHLMSSA-N 1 1 387.455 3.536 20 5 GHBDMO Cc1ccc(Br)c(F)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001308734075 1050075836 /nfs/dbraw/zinc/07/58/36/1050075836.db2.gz WDVLEFIUCHKXGD-UHFFFAOYSA-N 1 1 397.248 3.838 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001308963560 1050225096 /nfs/dbraw/zinc/22/50/96/1050225096.db2.gz NHPUFPUEHINYET-TZMCWYRMSA-N 1 1 383.876 3.841 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC001329211363 1050748367 /nfs/dbraw/zinc/74/83/67/1050748367.db2.gz XNXRWQRUAROUBQ-CYBMUJFWSA-N 1 1 393.896 3.952 20 5 GHBDMO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CS1(=O)=O ZINC001329558719 1050842361 /nfs/dbraw/zinc/84/23/61/1050842361.db2.gz UZLJOFGTTWAEAD-WCQYABFASA-N 1 1 398.868 3.564 20 5 GHBDMO Cc1c(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311259132 1051973028 /nfs/dbraw/zinc/97/30/28/1051973028.db2.gz UHPJWLBURBJHDX-VFZGTOFNSA-N 1 1 386.374 3.526 20 5 GHBDMO Cc1cc(CN2CCC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)no1 ZINC001337025347 1052380289 /nfs/dbraw/zinc/38/02/89/1052380289.db2.gz CANDTKQWQWAIKE-UHFFFAOYSA-N 1 1 396.447 3.859 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001311888843 1052459912 /nfs/dbraw/zinc/45/99/12/1052459912.db2.gz HZQARQSAOCSZAI-INIZCTEOSA-N 1 1 376.501 3.784 20 5 GHBDMO C[C@@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)c(F)c1 ZINC001344812746 1054755987 /nfs/dbraw/zinc/75/59/87/1054755987.db2.gz LGLDCFKOSURVRR-DYVFJYSZSA-N 1 1 390.386 3.794 20 5 GHBDMO C[C@@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)c(F)c1 ZINC001344812746 1054756003 /nfs/dbraw/zinc/75/60/03/1054756003.db2.gz LGLDCFKOSURVRR-DYVFJYSZSA-N 1 1 390.386 3.794 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC001320177657 1055691998 /nfs/dbraw/zinc/69/19/98/1055691998.db2.gz VVVRBXHRFHHJNC-MOPGFXCFSA-N 1 1 385.439 3.573 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC001320177657 1055692008 /nfs/dbraw/zinc/69/20/08/1055692008.db2.gz VVVRBXHRFHHJNC-MOPGFXCFSA-N 1 1 385.439 3.573 20 5 GHBDMO CN1CCN(c2ccccc2C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001320862613 1055991155 /nfs/dbraw/zinc/99/11/55/1055991155.db2.gz KQIHDEZMJVAKOP-OAQYLSRUSA-N 1 1 380.492 3.514 20 5 GHBDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CCO2 ZINC001321203130 1056155732 /nfs/dbraw/zinc/15/57/32/1056155732.db2.gz XFCQOBZBKHDMKC-DJJJIMSYSA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CCO2 ZINC001321203130 1056155738 /nfs/dbraw/zinc/15/57/38/1056155738.db2.gz XFCQOBZBKHDMKC-DJJJIMSYSA-N 1 1 392.839 3.888 20 5 GHBDMO C[N@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C2(CCCCC2)C1 ZINC001354440701 1056658678 /nfs/dbraw/zinc/65/86/78/1056658678.db2.gz JWXGQJDNVWEVCV-UHFFFAOYSA-N 1 1 379.888 3.658 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001324251867 1057097762 /nfs/dbraw/zinc/09/77/62/1057097762.db2.gz SLFDXRYWAXFFPD-CQSZACIVSA-N 1 1 383.839 3.878 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)c(Cl)c1 ZINC001324806593 1057230236 /nfs/dbraw/zinc/23/02/36/1057230236.db2.gz BRWUEBRCPKUTMK-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO O=C(C[N@@H+]1CC2CCC1CC2)Nc1cc(N2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC001325996586 1057393684 /nfs/dbraw/zinc/39/36/84/1057393684.db2.gz UZGFIKYPJVUIQZ-UHFFFAOYSA-N 1 1 398.507 3.787 20 5 GHBDMO O=C(C[N@H+]1CC2CCC1CC2)Nc1cc(N2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC001325996586 1057393686 /nfs/dbraw/zinc/39/36/86/1057393686.db2.gz UZGFIKYPJVUIQZ-UHFFFAOYSA-N 1 1 398.507 3.787 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001442347088 1058950166 /nfs/dbraw/zinc/95/01/66/1058950166.db2.gz ZZDVWULYNPQEBQ-JKSUJKDBSA-N 1 1 382.464 3.507 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001450493007 1060603263 /nfs/dbraw/zinc/60/32/63/1060603263.db2.gz UWPIRTBPZLMMKX-GASCZTMLSA-N 1 1 379.526 3.898 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001450493007 1060603266 /nfs/dbraw/zinc/60/32/66/1060603266.db2.gz UWPIRTBPZLMMKX-GASCZTMLSA-N 1 1 379.526 3.898 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC001453322769 1061109653 /nfs/dbraw/zinc/10/96/53/1061109653.db2.gz MOOMOKLINQFNTP-KRWDZBQOSA-N 1 1 382.464 3.941 20 5 GHBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001455409756 1062133235 /nfs/dbraw/zinc/13/32/35/1062133235.db2.gz ALRATWJDYMHKAL-RBUKOAKNSA-N 1 1 380.448 3.647 20 5 GHBDMO C[C@H](CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001435421368 1062592760 /nfs/dbraw/zinc/59/27/60/1062592760.db2.gz FCURVPYGAYBSTB-MRXNPFEDSA-N 1 1 387.455 3.693 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001456521183 1062730357 /nfs/dbraw/zinc/73/03/57/1062730357.db2.gz WJGMPLHIQXLQMV-MRXNPFEDSA-N 1 1 387.867 3.951 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001457231918 1063048790 /nfs/dbraw/zinc/04/87/90/1063048790.db2.gz UOESRXMBOPEJNV-OJWCNPDFSA-N 1 1 393.487 3.868 20 5 GHBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC001457417550 1063161357 /nfs/dbraw/zinc/16/13/57/1063161357.db2.gz VMCPWENBUYULQS-HNNXBMFYSA-N 1 1 385.489 3.912 20 5 GHBDMO COc1cc(N2CC[NH+](Cc3cccc(C)c3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC001458059397 1063535607 /nfs/dbraw/zinc/53/56/07/1063535607.db2.gz BYVRUHJSJWLKOU-UHFFFAOYSA-N 1 1 375.856 3.887 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNc2c(Br)cccc2[N+](=O)[O-])cn1 ZINC001458122693 1063582960 /nfs/dbraw/zinc/58/29/60/1063582960.db2.gz RGVPAOMIJUSDRH-UHFFFAOYSA-N 1 1 388.225 3.859 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001458201876 1063651912 /nfs/dbraw/zinc/65/19/12/1063651912.db2.gz RIOZBBRWBGZCSJ-QGZVFWFLSA-N 1 1 383.448 3.766 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001458253905 1063697376 /nfs/dbraw/zinc/69/73/76/1063697376.db2.gz RCTMQFOHLMTYNG-DOTOQJQBSA-N 1 1 392.459 3.648 20 5 GHBDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC001458661102 1063913708 /nfs/dbraw/zinc/91/37/08/1063913708.db2.gz XZKPXGMBBMTNBM-KRWDZBQOSA-N 1 1 375.448 3.532 20 5 GHBDMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001349875372 1063932521 /nfs/dbraw/zinc/93/25/21/1063932521.db2.gz QZBVKSXULHJSCX-WBVHZDCISA-N 1 1 398.463 3.778 20 5 GHBDMO O=[N+]([O-])c1cccc(OCCN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001459649436 1064154815 /nfs/dbraw/zinc/15/48/15/1064154815.db2.gz BDQNZCCGNAXZFY-REWPJTCUSA-N 1 1 395.503 3.960 20 5 GHBDMO O=C(N1CCC[N@@H+](Cc2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001463826814 1064652681 /nfs/dbraw/zinc/65/26/81/1064652681.db2.gz GWRSULBZTLJJRQ-UHFFFAOYSA-N 1 1 393.487 3.751 20 5 GHBDMO CC(C)Oc1cc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001352078316 1064814824 /nfs/dbraw/zinc/81/48/24/1064814824.db2.gz CDSJEEDYPWWPPB-INIZCTEOSA-N 1 1 397.475 3.559 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001465158112 1065425398 /nfs/dbraw/zinc/42/53/98/1065425398.db2.gz AAZYVSLTEREHBH-KRWDZBQOSA-N 1 1 390.484 3.770 20 5 GHBDMO CC[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001466752218 1066294941 /nfs/dbraw/zinc/29/49/41/1066294941.db2.gz ANRNLCUSOFCTKA-LJQANCHMSA-N 1 1 395.503 3.995 20 5 GHBDMO CC[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001466752218 1066294946 /nfs/dbraw/zinc/29/49/46/1066294946.db2.gz ANRNLCUSOFCTKA-LJQANCHMSA-N 1 1 395.503 3.995 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001353856098 1066307318 /nfs/dbraw/zinc/30/73/18/1066307318.db2.gz KOYVIBLJLGCMMR-VOQZNFBZSA-N 1 1 393.487 3.821 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1Br ZINC000849350858 1067816865 /nfs/dbraw/zinc/81/68/65/1067816865.db2.gz ZCFUDHMTPBIMQS-HNNXBMFYSA-N 1 1 382.302 3.569 20 5 GHBDMO CC(=O)Nc1ccc2c(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])cc(=O)oc2c1 ZINC000774597938 1068747994 /nfs/dbraw/zinc/74/79/94/1068747994.db2.gz YQEBAEGPGQTJIG-LBPRGKRZSA-N 1 1 381.388 3.510 20 5 GHBDMO O=C1[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1c1ccccc1 ZINC001460126651 1068796629 /nfs/dbraw/zinc/79/66/29/1068796629.db2.gz DZIDJOXQYKQTDG-GHTZIAJQSA-N 1 1 379.460 3.970 20 5 GHBDMO O=C(CC[N@@H+]1CCc2cccc(Cl)c2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001460221241 1068870042 /nfs/dbraw/zinc/87/00/42/1068870042.db2.gz NPGCEIQMFAJUAE-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO O=C(CC[N@H+]1CCc2cccc(Cl)c2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001460221241 1068870045 /nfs/dbraw/zinc/87/00/45/1068870045.db2.gz NPGCEIQMFAJUAE-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001460299073 1068913438 /nfs/dbraw/zinc/91/34/38/1068913438.db2.gz RHKIZIPENAERAG-CRAIPNDOSA-N 1 1 380.510 3.517 20 5 GHBDMO CC1=Nc2ccccc2C12CC[NH+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001460334514 1068930451 /nfs/dbraw/zinc/93/04/51/1068930451.db2.gz OWPXCZFJTOBYKN-UHFFFAOYSA-N 1 1 392.459 3.697 20 5 GHBDMO CC[C@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460346443 1068935610 /nfs/dbraw/zinc/93/56/10/1068935610.db2.gz XSOKOINMCLGTRH-RBUKOAKNSA-N 1 1 386.448 3.655 20 5 GHBDMO COc1ccc(OCC[N@H+]2CC[C@H](c3ccc(OC)c(F)c3)C2)c([N+](=O)[O-])c1 ZINC001460567196 1068998594 /nfs/dbraw/zinc/99/85/94/1068998594.db2.gz JYUPCOXSSWZODT-HNNXBMFYSA-N 1 1 390.411 3.619 20 5 GHBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001460852739 1069223084 /nfs/dbraw/zinc/22/30/84/1069223084.db2.gz RREKAKYBRNVOLU-XFQAVAEZSA-N 1 1 383.448 3.774 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001460938865 1069286258 /nfs/dbraw/zinc/28/62/58/1069286258.db2.gz LOZBLGXSZXVIRJ-YYAJDYIMSA-N 1 1 378.469 3.662 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001470712359 1072698583 /nfs/dbraw/zinc/69/85/83/1072698583.db2.gz CFMUHBYEJAMGOB-RTWAWAEBSA-N 1 1 395.503 3.863 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001470822798 1072755614 /nfs/dbraw/zinc/75/56/14/1072755614.db2.gz FTMSSYSJLJQJMV-HXUWFJFHSA-N 1 1 386.496 3.676 20 5 GHBDMO C[NH+]1CCN(c2ccc(Nc3ncc(Cl)cc3[N+](=O)[O-])cc2Cl)CC1 ZINC001472679957 1073613152 /nfs/dbraw/zinc/61/31/52/1073613152.db2.gz MMSCGEMTWZWHTB-UHFFFAOYSA-N 1 1 382.251 3.792 20 5 GHBDMO CCC[C@H]1CN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC001472734384 1073642540 /nfs/dbraw/zinc/64/25/40/1073642540.db2.gz GVLHRVBXIFLMNV-AWEZNQCLSA-N 1 1 389.418 3.859 20 5 GHBDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473213740 1073865402 /nfs/dbraw/zinc/86/54/02/1073865402.db2.gz XBLJUCKLNVQINR-HSZRJFAPSA-N 1 1 393.487 3.829 20 5 GHBDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473574780 1074024627 /nfs/dbraw/zinc/02/46/27/1074024627.db2.gz ZIVYHEKZJXQEPQ-FQEVSTJZSA-N 1 1 379.460 3.957 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](C3CCCCC3)C2)cc1 ZINC001473670892 1074076901 /nfs/dbraw/zinc/07/69/01/1074076901.db2.gz QGZXQHNDLUSNLO-KRWDZBQOSA-N 1 1 380.510 3.661 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](C3CCCCC3)C2)cc1 ZINC001473670892 1074076908 /nfs/dbraw/zinc/07/69/08/1074076908.db2.gz QGZXQHNDLUSNLO-KRWDZBQOSA-N 1 1 380.510 3.661 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC001473754114 1074123722 /nfs/dbraw/zinc/12/37/22/1074123722.db2.gz GDNFAVHQVTUQRE-NRFANRHFSA-N 1 1 381.432 3.904 20 5 GHBDMO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001474247951 1074309375 /nfs/dbraw/zinc/30/93/75/1074309375.db2.gz IJUXUUFPWYQKOY-UHFFFAOYSA-N 1 1 388.221 3.901 20 5 GHBDMO CC[N@@H+](CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C1CCCCC1 ZINC001475463673 1074883641 /nfs/dbraw/zinc/88/36/41/1074883641.db2.gz IKCKLBYKCBMMQQ-UHFFFAOYSA-N 1 1 397.541 3.535 20 5 GHBDMO CCOc1ccc([C@@H](C)NCC2([NH+]3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000180738612 837506178 /nfs/dbraw/zinc/50/61/78/837506178.db2.gz CATKUQDBEKRGDP-QGZVFWFLSA-N 1 1 391.512 3.679 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000431801680 837695561 /nfs/dbraw/zinc/69/55/61/837695561.db2.gz SPIUNNSOVVCOGG-VQIMIIECSA-N 1 1 396.491 3.965 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472323389 834657721 /nfs/dbraw/zinc/65/77/21/834657721.db2.gz SZUCCQRAQXYOJU-AEFFLSMTSA-N 1 1 397.475 3.885 20 5 GHBDMO CCn1nccc1C1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000278774618 834808976 /nfs/dbraw/zinc/80/89/76/834808976.db2.gz CPVJIQASGQJAMC-AWEZNQCLSA-N 1 1 396.451 3.802 20 5 GHBDMO O=C(NC1CC1)c1ccc(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000052530039 834908720 /nfs/dbraw/zinc/90/87/20/834908720.db2.gz ZMUIGIVVLIPGPY-UHFFFAOYSA-N 1 1 379.460 3.694 20 5 GHBDMO Cc1cn(C[N@@H+](C)C[C@@H](C)c2ccccc2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728709038 837826720 /nfs/dbraw/zinc/82/67/20/837826720.db2.gz NRCVJVJJKVNYBJ-MRXNPFEDSA-N 1 1 380.448 3.549 20 5 GHBDMO Cc1cn(C[N@H+](C)C[C@@H](C)c2ccccc2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728709038 837826731 /nfs/dbraw/zinc/82/67/31/837826731.db2.gz NRCVJVJJKVNYBJ-MRXNPFEDSA-N 1 1 380.448 3.549 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000510082282 835008920 /nfs/dbraw/zinc/00/89/20/835008920.db2.gz DODUAIOUJHDVJR-HKUYNNGSSA-N 1 1 381.476 3.554 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000430205920 835082212 /nfs/dbraw/zinc/08/22/12/835082212.db2.gz NOOKYLGSAQGAJM-KRWDZBQOSA-N 1 1 393.447 3.768 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000278438622 835089327 /nfs/dbraw/zinc/08/93/27/835089327.db2.gz DVSDGYGSFPFKQU-UHFFFAOYSA-N 1 1 384.436 3.990 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000510098943 835222359 /nfs/dbraw/zinc/22/23/59/835222359.db2.gz NJKDVYSXROJBJX-IEBWSBKVSA-N 1 1 381.476 3.934 20 5 GHBDMO Cc1cc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000510103017 835233255 /nfs/dbraw/zinc/23/32/55/835233255.db2.gz YPOSHKFWQRFSSW-PKOBYXMFSA-N 1 1 381.476 3.934 20 5 GHBDMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000188005738 835327017 /nfs/dbraw/zinc/32/70/17/835327017.db2.gz YMIOZXWNDIPYMJ-MRXNPFEDSA-N 1 1 397.475 3.648 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000278552036 835379316 /nfs/dbraw/zinc/37/93/16/835379316.db2.gz ZJHGCRNYYVTSKV-LPHOPBHVSA-N 1 1 389.383 3.994 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188206930 835470529 /nfs/dbraw/zinc/47/05/29/835470529.db2.gz RPRHQHWWYZPUSN-ZBFHGGJFSA-N 1 1 385.489 3.710 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000500858500 844070070 /nfs/dbraw/zinc/07/00/70/844070070.db2.gz MDKUBBPKYDDEFT-RHSMWYFYSA-N 1 1 378.432 3.641 20 5 GHBDMO COc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000102691973 835762361 /nfs/dbraw/zinc/76/23/61/835762361.db2.gz SKRPDAPIRBARHW-LBPRGKRZSA-N 1 1 377.828 3.855 20 5 GHBDMO COc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000102691910 835762601 /nfs/dbraw/zinc/76/26/01/835762601.db2.gz FFSKJHOZYVIKIA-LBPRGKRZSA-N 1 1 377.828 3.855 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614236032 835908770 /nfs/dbraw/zinc/90/87/70/835908770.db2.gz XDLVCOSHQGPXKP-MRXNPFEDSA-N 1 1 380.448 3.865 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000573219529 835969613 /nfs/dbraw/zinc/96/96/13/835969613.db2.gz FLSUUBDASIBNQZ-FQEVSTJZSA-N 1 1 392.459 3.749 20 5 GHBDMO CCN1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714394 836032483 /nfs/dbraw/zinc/03/24/83/836032483.db2.gz RENXJGNRIOIHHJ-DJPFJPOOSA-N 1 1 385.512 3.794 20 5 GHBDMO CC[N@@H+]1CCC[C@@H](CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714394 836032491 /nfs/dbraw/zinc/03/24/91/836032491.db2.gz RENXJGNRIOIHHJ-DJPFJPOOSA-N 1 1 385.512 3.794 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714394 836032499 /nfs/dbraw/zinc/03/24/99/836032499.db2.gz RENXJGNRIOIHHJ-DJPFJPOOSA-N 1 1 385.512 3.794 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000179887503 836266830 /nfs/dbraw/zinc/26/68/30/836266830.db2.gz ZBGPNLVPPDUFFY-HNNXBMFYSA-N 1 1 395.406 3.923 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000179887503 836266839 /nfs/dbraw/zinc/26/68/39/836266839.db2.gz ZBGPNLVPPDUFFY-HNNXBMFYSA-N 1 1 395.406 3.923 20 5 GHBDMO CC1CCN(C[C@H](O)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000236627263 836282774 /nfs/dbraw/zinc/28/27/74/836282774.db2.gz MXNOLFFWQXFXTE-GOSISDBHSA-N 1 1 389.521 3.506 20 5 GHBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000066124670 836809193 /nfs/dbraw/zinc/80/91/93/836809193.db2.gz KEYIJALYIUWRTA-HOTGVXAUSA-N 1 1 399.495 3.623 20 5 GHBDMO Cc1cccc(C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC(C)C)c1 ZINC001167199014 836877511 /nfs/dbraw/zinc/87/75/11/836877511.db2.gz CJSFGFBUDXNGKS-UHFFFAOYSA-N 1 1 381.476 3.951 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](c4ccccc4)C3)o2)c1 ZINC000170908422 836933164 /nfs/dbraw/zinc/93/31/64/836933164.db2.gz GTFFJLWQLDGEHW-HXUWFJFHSA-N 1 1 379.416 3.866 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473499860 844244146 /nfs/dbraw/zinc/24/41/46/844244146.db2.gz VRBDHVLKXMXXBP-JOCHJYFZSA-N 1 1 397.450 3.862 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180507615 837321361 /nfs/dbraw/zinc/32/13/61/837321361.db2.gz CJMZNCZZPPNDIJ-CYBMUJFWSA-N 1 1 385.411 3.581 20 5 GHBDMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000177048759 837854413 /nfs/dbraw/zinc/85/44/13/837854413.db2.gz ZINFFNMVSUWTOT-OAHLLOKOSA-N 1 1 396.447 3.623 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000177290694 837902082 /nfs/dbraw/zinc/90/20/82/837902082.db2.gz IDMCBGTWYVFCSQ-SFHVURJKSA-N 1 1 381.476 3.823 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000177290694 837902088 /nfs/dbraw/zinc/90/20/88/837902088.db2.gz IDMCBGTWYVFCSQ-SFHVURJKSA-N 1 1 381.476 3.823 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275615699 838031530 /nfs/dbraw/zinc/03/15/30/838031530.db2.gz UNXPQFGNWVBSDO-CYBMUJFWSA-N 1 1 399.441 3.786 20 5 GHBDMO CCc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000471438119 838040932 /nfs/dbraw/zinc/04/09/32/838040932.db2.gz XELNDTYEXOTOGL-FQEVSTJZSA-N 1 1 381.476 3.894 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000480818056 838067288 /nfs/dbraw/zinc/06/72/88/838067288.db2.gz JSLVIAZKHDRSMY-AWEZNQCLSA-N 1 1 379.526 3.947 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000122775392 838347068 /nfs/dbraw/zinc/34/70/68/838347068.db2.gz XHFQFIQSKDUFRE-MRXNPFEDSA-N 1 1 398.463 3.732 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000122801406 838375388 /nfs/dbraw/zinc/37/53/88/838375388.db2.gz ADLGNHOGWLINGM-UHFFFAOYSA-N 1 1 386.452 3.765 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C2)nc1 ZINC000118866479 838735511 /nfs/dbraw/zinc/73/55/11/838735511.db2.gz WLKHPRRQSAVSLL-CQSZACIVSA-N 1 1 396.369 3.617 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000541391536 839050619 /nfs/dbraw/zinc/05/06/19/839050619.db2.gz YPKPAXGAEQVSGH-NVXWUHKLSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000541391536 839050629 /nfs/dbraw/zinc/05/06/29/839050629.db2.gz YPKPAXGAEQVSGH-NVXWUHKLSA-N 1 1 383.448 3.728 20 5 GHBDMO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549169707 839131900 /nfs/dbraw/zinc/13/19/00/839131900.db2.gz ATAFABPGAZYLSR-GFCCVEGCSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549169707 839131908 /nfs/dbraw/zinc/13/19/08/839131908.db2.gz ATAFABPGAZYLSR-GFCCVEGCSA-N 1 1 379.819 3.889 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000177740346 839137333 /nfs/dbraw/zinc/13/73/33/839137333.db2.gz HZCJCQXSMWSNKU-GOSISDBHSA-N 1 1 383.448 3.726 20 5 GHBDMO CCOC(=O)[C@@H]([NH3+])CCc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001211649814 839240525 /nfs/dbraw/zinc/24/05/25/839240525.db2.gz ZYVZBBRSWKXFNL-IBGZPJMESA-N 1 1 375.428 3.866 20 5 GHBDMO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001167386389 839398404 /nfs/dbraw/zinc/39/84/04/839398404.db2.gz FBAHTPHHSCGGFT-UHFFFAOYSA-N 1 1 382.819 3.915 20 5 GHBDMO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001167386389 839398416 /nfs/dbraw/zinc/39/84/16/839398416.db2.gz FBAHTPHHSCGGFT-UHFFFAOYSA-N 1 1 382.819 3.915 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000119065868 839450300 /nfs/dbraw/zinc/45/03/00/839450300.db2.gz ADESJTRHLJMVGB-QFIPXVFZSA-N 1 1 389.455 3.599 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000412177088 839873609 /nfs/dbraw/zinc/87/36/09/839873609.db2.gz LELMXZOGYCXGBG-JJJJLYANSA-N 1 1 393.487 3.868 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000549300886 839938265 /nfs/dbraw/zinc/93/82/65/839938265.db2.gz YWTCKAJNYCDOSN-SFHVURJKSA-N 1 1 397.475 3.778 20 5 GHBDMO C[C@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000572811893 844497455 /nfs/dbraw/zinc/49/74/55/844497455.db2.gz PZCZSRNRPGZXKU-KKSFZXQISA-N 1 1 381.476 3.725 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000312746945 840195314 /nfs/dbraw/zinc/19/53/14/840195314.db2.gz YSXMLQGJUQYNAV-MRXNPFEDSA-N 1 1 387.867 3.890 20 5 GHBDMO CNC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000110596592 840245372 /nfs/dbraw/zinc/24/53/72/840245372.db2.gz KRFNOIFLFAPLSE-YQQQUEKLSA-N 1 1 394.475 3.562 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511589067 840279945 /nfs/dbraw/zinc/27/99/45/840279945.db2.gz VBTZKBUSFSTYDC-INIZCTEOSA-N 1 1 387.823 3.993 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511589067 840279955 /nfs/dbraw/zinc/27/99/55/840279955.db2.gz VBTZKBUSFSTYDC-INIZCTEOSA-N 1 1 387.823 3.993 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000110651887 840508614 /nfs/dbraw/zinc/50/86/14/840508614.db2.gz PAEOXEJZWZYFDP-AWEZNQCLSA-N 1 1 379.526 3.946 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000047213825 840636918 /nfs/dbraw/zinc/63/69/18/840636918.db2.gz UAULTVBMIOZGHY-KRWDZBQOSA-N 1 1 388.512 3.579 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000511750818 840636979 /nfs/dbraw/zinc/63/69/79/840636979.db2.gz DNUSZMOWNCUFQZ-NRFANRHFSA-N 1 1 395.503 3.944 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000110720783 840695590 /nfs/dbraw/zinc/69/55/90/840695590.db2.gz NCEKJFPTCPCIOT-ZDUSSCGKSA-N 1 1 389.839 3.894 20 5 GHBDMO CC[C@@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000123004084 840907612 /nfs/dbraw/zinc/90/76/12/840907612.db2.gz PYYALMFRDHUQGB-SFHVURJKSA-N 1 1 385.439 3.609 20 5 GHBDMO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000164246463 841149942 /nfs/dbraw/zinc/14/99/42/841149942.db2.gz XYKQIMNJXSCAFL-CYBMUJFWSA-N 1 1 396.403 3.957 20 5 GHBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000164246463 841149950 /nfs/dbraw/zinc/14/99/50/841149950.db2.gz XYKQIMNJXSCAFL-CYBMUJFWSA-N 1 1 396.403 3.957 20 5 GHBDMO COc1ccc([C@H]2CCC[N@@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)c(OC)c1 ZINC000023852129 841487502 /nfs/dbraw/zinc/48/75/02/841487502.db2.gz YBTGKEBNWXBGAO-LJQANCHMSA-N 1 1 382.420 3.756 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)c(OC)c1 ZINC000023852129 841487507 /nfs/dbraw/zinc/48/75/07/841487507.db2.gz YBTGKEBNWXBGAO-LJQANCHMSA-N 1 1 382.420 3.756 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000302179305 861229543 /nfs/dbraw/zinc/22/95/43/861229543.db2.gz PZFJMOCUSSDDCP-JXFKEZNVSA-N 1 1 396.491 3.665 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000109347994 841872770 /nfs/dbraw/zinc/87/27/70/841872770.db2.gz UXHBVSNBUAANQW-MAUKXSAKSA-N 1 1 385.439 3.823 20 5 GHBDMO Cc1sc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110390677 841901855 /nfs/dbraw/zinc/90/18/55/841901855.db2.gz WGZISJBGWTYUMQ-ALOPSCKCSA-N 1 1 385.489 3.890 20 5 GHBDMO CCOc1cc2c(cc1OCC)C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000603842166 861257922 /nfs/dbraw/zinc/25/79/22/861257922.db2.gz ODYGYCXVCVCAMO-UHFFFAOYSA-N 1 1 386.448 3.829 20 5 GHBDMO CCOc1cc2c(cc1OCC)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000603842166 861257941 /nfs/dbraw/zinc/25/79/41/861257941.db2.gz ODYGYCXVCVCAMO-UHFFFAOYSA-N 1 1 386.448 3.829 20 5 GHBDMO Cc1cccc(N2CCC(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CC2)[nH+]1 ZINC000477362348 842028208 /nfs/dbraw/zinc/02/82/08/842028208.db2.gz BCBCOWHQFSMFMB-UHFFFAOYSA-N 1 1 388.855 3.659 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000111420000 842055859 /nfs/dbraw/zinc/05/58/59/842055859.db2.gz NAPRIYNHXFJWBJ-YQQQUEKLSA-N 1 1 380.448 3.912 20 5 GHBDMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000728890945 842340079 /nfs/dbraw/zinc/34/00/79/842340079.db2.gz GKAXPTINYKTFQY-SDMNGIDPSA-N 1 1 395.459 3.522 20 5 GHBDMO C[C@H]1C[N@@H+](CCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000432427723 842463175 /nfs/dbraw/zinc/46/31/75/842463175.db2.gz DSRSDQPROVRZGH-AVRDEDQJSA-N 1 1 383.492 3.775 20 5 GHBDMO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000178206156 842478828 /nfs/dbraw/zinc/47/88/28/842478828.db2.gz LKUFRDJPVPHUJC-ZDUSSCGKSA-N 1 1 397.410 3.517 20 5 GHBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)C[C@@H](C)O1 ZINC000121540205 842649254 /nfs/dbraw/zinc/64/92/54/842649254.db2.gz KLPVPQBAYXYWJZ-CHWSQXEVSA-N 1 1 375.450 3.518 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566319 843116694 /nfs/dbraw/zinc/11/66/94/843116694.db2.gz ARSKFARMCFYJPH-AEFFLSMTSA-N 1 1 390.411 3.800 20 5 GHBDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)n2)c1 ZINC000279551312 843131995 /nfs/dbraw/zinc/13/19/95/843131995.db2.gz QWOTYXAEIXOZTA-SUMWQHHRSA-N 1 1 378.436 3.812 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000182148322 843254585 /nfs/dbraw/zinc/25/45/85/843254585.db2.gz ZWFOPFJMWYHDPZ-NRFANRHFSA-N 1 1 399.491 3.545 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000447677542 843334238 /nfs/dbraw/zinc/33/42/38/843334238.db2.gz GOOKZGHRNCPADL-ONGXEEELSA-N 1 1 380.317 3.683 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000131487065 861418366 /nfs/dbraw/zinc/41/83/66/861418366.db2.gz OCVUVXVLRAHYTM-MAUKXSAKSA-N 1 1 385.439 3.859 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000610666711 843452631 /nfs/dbraw/zinc/45/26/31/843452631.db2.gz WQYKYIMEPIKPDY-FQEVSTJZSA-N 1 1 381.476 3.556 20 5 GHBDMO COc1cc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000510807508 843516474 /nfs/dbraw/zinc/51/64/74/843516474.db2.gz UILIWDWACHEQHB-INIZCTEOSA-N 1 1 397.475 3.765 20 5 GHBDMO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599637907 861432916 /nfs/dbraw/zinc/43/29/16/861432916.db2.gz XFUQNQWNPZPNIJ-OAHLLOKOSA-N 1 1 379.258 3.699 20 5 GHBDMO COc1c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000474912840 861452002 /nfs/dbraw/zinc/45/20/02/861452002.db2.gz RQCSDGOMZMJRBF-MRXNPFEDSA-N 1 1 397.475 3.765 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(CCN3CCOCC3)CC2)o1 ZINC000512462327 843879036 /nfs/dbraw/zinc/87/90/36/843879036.db2.gz JWPAHRWIZKEQFX-UHFFFAOYSA-N 1 1 399.491 3.789 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(CCN4CCOCC4)CC3)o2)c1 ZINC000512474157 843933576 /nfs/dbraw/zinc/93/35/76/843933576.db2.gz IJPJRWPCZKYRKL-UHFFFAOYSA-N 1 1 399.491 3.789 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1F ZINC000599678273 861475797 /nfs/dbraw/zinc/47/57/97/861475797.db2.gz KPBDAVCBUMBDDV-CQSZACIVSA-N 1 1 388.395 3.599 20 5 GHBDMO Cc1cc(F)cc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000176227615 844702577 /nfs/dbraw/zinc/70/25/77/844702577.db2.gz ZUOODFIBRCLABI-AWEZNQCLSA-N 1 1 387.411 3.688 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236961523 844982206 /nfs/dbraw/zinc/98/22/06/844982206.db2.gz YCMCALCGBKQKMK-QGZVFWFLSA-N 1 1 399.539 3.986 20 5 GHBDMO CC[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236961523 844982212 /nfs/dbraw/zinc/98/22/12/844982212.db2.gz YCMCALCGBKQKMK-QGZVFWFLSA-N 1 1 399.539 3.986 20 5 GHBDMO COC[C@H](C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000599684260 861525161 /nfs/dbraw/zinc/52/51/61/861525161.db2.gz XJXWIJNUYREGPW-KKSFZXQISA-N 1 1 397.475 3.582 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000512709834 845112067 /nfs/dbraw/zinc/11/20/67/845112067.db2.gz HHRNEFMQOGDPSM-SFHVURJKSA-N 1 1 384.432 3.677 20 5 GHBDMO CC[NH+](CC)Cc1ccccc1CN[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000025702777 861535584 /nfs/dbraw/zinc/53/55/84/861535584.db2.gz ONXXPDIUDWQHEL-MRXNPFEDSA-N 1 1 384.480 3.553 20 5 GHBDMO CC[N@H+](CC(=O)N(C)C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000611254578 845326044 /nfs/dbraw/zinc/32/60/44/845326044.db2.gz QSYKCNSQVSHRDV-UHFFFAOYSA-N 1 1 391.855 3.951 20 5 GHBDMO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000611254578 845326083 /nfs/dbraw/zinc/32/60/83/845326083.db2.gz QSYKCNSQVSHRDV-UHFFFAOYSA-N 1 1 391.855 3.951 20 5 GHBDMO COc1ccnc(N2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000513398407 845367879 /nfs/dbraw/zinc/36/78/79/845367879.db2.gz RXXQTVUXUNPRKE-UHFFFAOYSA-N 1 1 394.431 3.581 20 5 GHBDMO COc1cc[nH+]c(N2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000513398407 845367889 /nfs/dbraw/zinc/36/78/89/845367889.db2.gz RXXQTVUXUNPRKE-UHFFFAOYSA-N 1 1 394.431 3.581 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235687 845372189 /nfs/dbraw/zinc/37/21/89/845372189.db2.gz DLDYSIYXGLCNKU-KRWDZBQOSA-N 1 1 380.448 3.736 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600313126 861580494 /nfs/dbraw/zinc/58/04/94/861580494.db2.gz IASZVRDLNAYTBU-OAHLLOKOSA-N 1 1 379.526 3.949 20 5 GHBDMO C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182922637 845595891 /nfs/dbraw/zinc/59/58/91/845595891.db2.gz HKNDROCWGDHEAL-HZPDHXFCSA-N 1 1 388.512 3.782 20 5 GHBDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157615409 846008943 /nfs/dbraw/zinc/00/89/43/846008943.db2.gz WGGSEZRSDZCGNP-LLVKDONJSA-N 1 1 393.875 3.797 20 5 GHBDMO C[C@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539238010 846020926 /nfs/dbraw/zinc/02/09/26/846020926.db2.gz AETZDJSESOJYCZ-HNNXBMFYSA-N 1 1 382.464 3.671 20 5 GHBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000421382451 846198783 /nfs/dbraw/zinc/19/87/83/846198783.db2.gz KSSMBEQGDJIOSA-MRXNPFEDSA-N 1 1 385.489 3.622 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000501008259 846538283 /nfs/dbraw/zinc/53/82/83/846538283.db2.gz PPGXVFVGUKUWEY-MRXNPFEDSA-N 1 1 385.464 3.743 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4ncccc34)c2)CCO1 ZINC000413082564 846567758 /nfs/dbraw/zinc/56/77/58/846567758.db2.gz ZMQADXCDRZJMJD-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4ncccc34)c2)CCO1 ZINC000413082564 846567766 /nfs/dbraw/zinc/56/77/66/846567766.db2.gz ZMQADXCDRZJMJD-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501036949 846583201 /nfs/dbraw/zinc/58/32/01/846583201.db2.gz OLJZYKZBBVAEHY-KRWDZBQOSA-N 1 1 382.464 3.524 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000843817944 861696162 /nfs/dbraw/zinc/69/61/62/861696162.db2.gz TYUJRVHIMOELKN-WMLDXEAASA-N 1 1 385.439 3.825 20 5 GHBDMO Cc1ccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(N2CCCC2)[nH+]1 ZINC000611582666 846667986 /nfs/dbraw/zinc/66/79/86/846667986.db2.gz PTXYDXXJTOIAKN-UHFFFAOYSA-N 1 1 397.479 3.633 20 5 GHBDMO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000503052553 846768445 /nfs/dbraw/zinc/76/84/45/846768445.db2.gz RIXFATLQBBGMQV-HNNXBMFYSA-N 1 1 394.518 3.722 20 5 GHBDMO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000503052553 846768449 /nfs/dbraw/zinc/76/84/49/846768449.db2.gz RIXFATLQBBGMQV-HNNXBMFYSA-N 1 1 394.518 3.722 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1Cl ZINC000478057164 846930535 /nfs/dbraw/zinc/93/05/35/846930535.db2.gz YWJLYJDOGPOBMW-UHFFFAOYSA-N 1 1 376.844 3.751 20 5 GHBDMO C[C@H](O)C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513717283 847012121 /nfs/dbraw/zinc/01/21/21/847012121.db2.gz NTVFIBFXJQAGEK-LDQXTDLNSA-N 1 1 394.475 3.562 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C(F)(F)F)c1 ZINC000413277152 847088124 /nfs/dbraw/zinc/08/81/24/847088124.db2.gz ZYMIRKPZMWYGDT-UHFFFAOYSA-N 1 1 395.385 3.925 20 5 GHBDMO Cc1c(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000478772158 847255470 /nfs/dbraw/zinc/25/54/70/847255470.db2.gz YPUFJKRYDZIZQA-UHFFFAOYSA-N 1 1 384.480 3.743 20 5 GHBDMO CCOc1cc(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000503270361 847539940 /nfs/dbraw/zinc/53/99/40/847539940.db2.gz PJMPAGDSVTVYFS-IBGZPJMESA-N 1 1 393.443 3.686 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000277679757 847540719 /nfs/dbraw/zinc/54/07/19/847540719.db2.gz IPVZBLMYCHTPIA-INIZCTEOSA-N 1 1 377.488 3.944 20 5 GHBDMO CCC(=O)c1ccc(NCC2([NH+]3CCCCC3)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000480058247 848049132 /nfs/dbraw/zinc/04/91/32/848049132.db2.gz WEQILBCATRNOOL-UHFFFAOYSA-N 1 1 388.512 3.550 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000612181356 848510541 /nfs/dbraw/zinc/51/05/41/848510541.db2.gz CRRRNAOWWDPUBR-HOTGVXAUSA-N 1 1 388.773 3.872 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000555816882 861932363 /nfs/dbraw/zinc/93/23/63/861932363.db2.gz ZAHRQKXYLXXSEM-RYUDHWBXSA-N 1 1 398.301 3.658 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[C@H]1c1ccccc1 ZINC000247964200 849081806 /nfs/dbraw/zinc/08/18/06/849081806.db2.gz DJSHWPYPWKWRFF-PZJWPPBQSA-N 1 1 394.475 3.714 20 5 GHBDMO CCNc1ccc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001269900824 850062074 /nfs/dbraw/zinc/06/20/74/850062074.db2.gz TWNJEHOAQBGCFU-NRFANRHFSA-N 1 1 396.491 3.667 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@]4(C3)OCc3ccccc34)n2)cc1 ZINC000481712506 862113080 /nfs/dbraw/zinc/11/30/80/862113080.db2.gz APEIJLZXEGANKN-NRFANRHFSA-N 1 1 392.415 3.666 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@]4(C3)OCc3ccccc34)n2)cc1 ZINC000481712506 862113087 /nfs/dbraw/zinc/11/30/87/862113087.db2.gz APEIJLZXEGANKN-NRFANRHFSA-N 1 1 392.415 3.666 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](n4ccnn4)C3)o2)c(Cl)c1 ZINC000425357064 850438057 /nfs/dbraw/zinc/43/80/57/850438057.db2.gz XFIPPTXHZDLKHT-CQSZACIVSA-N 1 1 387.827 3.937 20 5 GHBDMO C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000519013702 850491101 /nfs/dbraw/zinc/49/11/01/850491101.db2.gz XRYUEZWFRLRGGS-INIZCTEOSA-N 1 1 396.491 3.792 20 5 GHBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426540678 850612779 /nfs/dbraw/zinc/61/27/79/850612779.db2.gz SNHIRVCDDLFMFH-MRXNPFEDSA-N 1 1 385.464 3.540 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000515114199 850693700 /nfs/dbraw/zinc/69/37/00/850693700.db2.gz FDTXZOUWPGYEIU-INIZCTEOSA-N 1 1 392.843 3.681 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccccc1Cl ZINC000041816333 850733226 /nfs/dbraw/zinc/73/32/26/850733226.db2.gz ICDTVPLNIZSOJD-SFHVURJKSA-N 1 1 386.839 3.762 20 5 GHBDMO CNc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000515406749 850988184 /nfs/dbraw/zinc/98/81/84/850988184.db2.gz HIJLZDGGJIMOSC-INIZCTEOSA-N 1 1 396.491 3.798 20 5 GHBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000151252044 851018471 /nfs/dbraw/zinc/01/84/71/851018471.db2.gz ZQWKMAHIPRRUPY-UHFFFAOYSA-N 1 1 397.382 3.723 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000515550455 851162115 /nfs/dbraw/zinc/16/21/15/851162115.db2.gz MIODKENRMSSNQP-IYBDPMFKSA-N 1 1 388.512 3.657 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000514190758 851382755 /nfs/dbraw/zinc/38/27/55/851382755.db2.gz UGKFROLOWYGYFD-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)c1ccccc1 ZINC000604493474 862251679 /nfs/dbraw/zinc/25/16/79/862251679.db2.gz VIPGCPAEQSLXPM-KRWDZBQOSA-N 1 1 385.464 3.941 20 5 GHBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000488483281 851554181 /nfs/dbraw/zinc/55/41/81/851554181.db2.gz GVTDVSBUUQSMLU-APWZRJJASA-N 1 1 397.475 3.634 20 5 GHBDMO CC[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000430102524 851576397 /nfs/dbraw/zinc/57/63/97/851576397.db2.gz OWEQHTBEQDRCPX-MRXNPFEDSA-N 1 1 380.448 3.650 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434740197 851605790 /nfs/dbraw/zinc/60/57/90/851605790.db2.gz VKOGQOSQBGAJIV-QFIPXVFZSA-N 1 1 397.475 3.904 20 5 GHBDMO CCN1CCC[C@@H](C[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434746546 851614970 /nfs/dbraw/zinc/61/49/70/851614970.db2.gz NSPUUCLOBSVSQO-LLGFUMIMSA-N 1 1 385.512 3.794 20 5 GHBDMO CC[N@@H+]1CCC[C@@H](CN(C)[C@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434746546 851614978 /nfs/dbraw/zinc/61/49/78/851614978.db2.gz NSPUUCLOBSVSQO-LLGFUMIMSA-N 1 1 385.512 3.794 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CN(C)[C@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434746546 851614983 /nfs/dbraw/zinc/61/49/83/851614983.db2.gz NSPUUCLOBSVSQO-LLGFUMIMSA-N 1 1 385.512 3.794 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434734763 851620097 /nfs/dbraw/zinc/62/00/97/851620097.db2.gz HALGYPDOHYZDMT-OAQYLSRUSA-N 1 1 383.448 3.514 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434734763 851620103 /nfs/dbraw/zinc/62/01/03/851620103.db2.gz HALGYPDOHYZDMT-OAQYLSRUSA-N 1 1 383.448 3.514 20 5 GHBDMO COc1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000184227179 851746987 /nfs/dbraw/zinc/74/69/87/851746987.db2.gz FCTVZNZACRGKHP-QGZVFWFLSA-N 1 1 387.455 3.696 20 5 GHBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000249394336 851843509 /nfs/dbraw/zinc/84/35/09/851843509.db2.gz GORFZEQRZJTIGX-KXBFYZLASA-N 1 1 397.475 3.695 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000517396567 851919586 /nfs/dbraw/zinc/91/95/86/851919586.db2.gz JINMFDYQVWMGQF-FQEVSTJZSA-N 1 1 399.491 3.880 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])cc1F ZINC000184303191 852087022 /nfs/dbraw/zinc/08/70/22/852087022.db2.gz OPGVOHMJBHPUSB-GFCCVEGCSA-N 1 1 387.411 3.942 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000489344134 852246510 /nfs/dbraw/zinc/24/65/10/852246510.db2.gz XNSFSCJHKMMTOT-WWMYMODYSA-N 1 1 396.491 3.866 20 5 GHBDMO CCOCC[N@H+](CC)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000489424184 852321020 /nfs/dbraw/zinc/32/10/20/852321020.db2.gz PUFMNHNKMONDMB-HXUWFJFHSA-N 1 1 385.464 3.941 20 5 GHBDMO CCOCC[N@@H+](CC)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000489424184 852321030 /nfs/dbraw/zinc/32/10/30/852321030.db2.gz PUFMNHNKMONDMB-HXUWFJFHSA-N 1 1 385.464 3.941 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507174752 852644399 /nfs/dbraw/zinc/64/43/99/852644399.db2.gz SKPHRSXEWBXKHR-HXUWFJFHSA-N 1 1 384.432 3.979 20 5 GHBDMO CC1(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000414948695 852836889 /nfs/dbraw/zinc/83/68/89/852836889.db2.gz YRJXQKLUKPJNJV-UHFFFAOYSA-N 1 1 391.475 3.679 20 5 GHBDMO COc1ccc(OCC[NH2+]C2(c3noc(C)n3)CCCCCC2)c([N+](=O)[O-])c1 ZINC000438787618 852854060 /nfs/dbraw/zinc/85/40/60/852854060.db2.gz FERITLFGVLXBAE-UHFFFAOYSA-N 1 1 390.440 3.513 20 5 GHBDMO COc1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCC(C)CC2)c([N+](=O)[O-])cc1O ZINC000509564214 852967820 /nfs/dbraw/zinc/96/78/20/852967820.db2.gz PKGPHOWMYZXAQE-FQEVSTJZSA-N 1 1 399.491 3.872 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(-c2ccc(F)cc2)nc1C ZINC000509590954 853022830 /nfs/dbraw/zinc/02/28/30/853022830.db2.gz HBWSIKAGHIMVMU-UHFFFAOYSA-N 1 1 384.411 3.917 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427366552 853031783 /nfs/dbraw/zinc/03/17/83/853031783.db2.gz NXXXWGVSIHSDBR-SFHVURJKSA-N 1 1 397.475 3.588 20 5 GHBDMO COc1cc(CNC[C@@H]2CCC[N@H+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000108429134 853069283 /nfs/dbraw/zinc/06/92/83/853069283.db2.gz JYPCGWDYAXMABY-IBGZPJMESA-N 1 1 399.491 3.614 20 5 GHBDMO COc1cc(CNC[C@@H]2CCC[N@@H+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000108429134 853069288 /nfs/dbraw/zinc/06/92/88/853069288.db2.gz JYPCGWDYAXMABY-IBGZPJMESA-N 1 1 399.491 3.614 20 5 GHBDMO COc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000108429134 853069295 /nfs/dbraw/zinc/06/92/95/853069295.db2.gz JYPCGWDYAXMABY-IBGZPJMESA-N 1 1 399.491 3.614 20 5 GHBDMO COc1ccc(CNC[C@]2(C)CCC[NH2+]C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414903937 853104989 /nfs/dbraw/zinc/10/49/89/853104989.db2.gz JADZONYULGDUQI-JOCHJYFZSA-N 1 1 399.491 3.662 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000507639561 853118997 /nfs/dbraw/zinc/11/89/97/853118997.db2.gz WJUFPIAFIUZLOT-PBHICJAKSA-N 1 1 385.489 3.882 20 5 GHBDMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000025702389 853688312 /nfs/dbraw/zinc/68/83/12/853688312.db2.gz KXJGTQUHFZRYPZ-QGZVFWFLSA-N 1 1 396.491 3.698 20 5 GHBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000129480111 854040314 /nfs/dbraw/zinc/04/03/14/854040314.db2.gz USNKGHLADWVZOJ-UHFFFAOYSA-N 1 1 397.406 3.889 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000129480111 854040321 /nfs/dbraw/zinc/04/03/21/854040321.db2.gz USNKGHLADWVZOJ-UHFFFAOYSA-N 1 1 397.406 3.889 20 5 GHBDMO COc1cc(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000588215069 854218762 /nfs/dbraw/zinc/21/87/62/854218762.db2.gz ZPGIUIGXTTYPEO-GJZGRUSLSA-N 1 1 376.428 3.729 20 5 GHBDMO CC(=O)c1ccc2c(c1)CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000550354408 854309830 /nfs/dbraw/zinc/30/98/30/854309830.db2.gz NVRCWPCWHUGYBT-UHFFFAOYSA-N 1 1 395.459 3.535 20 5 GHBDMO CN(C)c1ccccc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000589210581 854751581 /nfs/dbraw/zinc/75/15/81/854751581.db2.gz XPLBMFHTHXREII-UHFFFAOYSA-N 1 1 379.464 3.693 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2Cc2ccccc2OC)c1 ZINC000589497586 854910111 /nfs/dbraw/zinc/91/01/11/854910111.db2.gz OOYONWNSEXINQH-GOSISDBHSA-N 1 1 384.432 3.597 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1 ZINC000589501417 854911284 /nfs/dbraw/zinc/91/12/84/854911284.db2.gz MSULUEKCIQZFCM-OAHLLOKOSA-N 1 1 388.445 3.680 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1 ZINC000589501417 854911291 /nfs/dbraw/zinc/91/12/91/854911291.db2.gz MSULUEKCIQZFCM-OAHLLOKOSA-N 1 1 388.445 3.680 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(-c2ccnn2C)c1 ZINC000589520654 854975249 /nfs/dbraw/zinc/97/52/49/854975249.db2.gz OUSJQYFDWNXZOV-UHFFFAOYSA-N 1 1 378.432 3.698 20 5 GHBDMO Cc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(-c2ccnn2C)c1 ZINC000589520654 854975255 /nfs/dbraw/zinc/97/52/55/854975255.db2.gz OUSJQYFDWNXZOV-UHFFFAOYSA-N 1 1 378.432 3.698 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000589604416 855057719 /nfs/dbraw/zinc/05/77/19/855057719.db2.gz NFUGLQXDOHIHGI-UHFFFAOYSA-N 1 1 384.436 3.606 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000536377017 855182912 /nfs/dbraw/zinc/18/29/12/855182912.db2.gz DUIRZHNGYGCBBE-UHFFFAOYSA-N 1 1 382.247 3.728 20 5 GHBDMO O=C1NCCc2ccc(C[NH2+][C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cc21 ZINC000542683308 855421745 /nfs/dbraw/zinc/42/17/45/855421745.db2.gz OXLWVMUTQOUOJD-QFIPXVFZSA-N 1 1 387.439 3.760 20 5 GHBDMO COC(=O)c1c(Cl)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000590568414 855493288 /nfs/dbraw/zinc/49/32/88/855493288.db2.gz FRUSZERAWXAUMZ-AWEZNQCLSA-N 1 1 389.839 3.721 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591148853 855797300 /nfs/dbraw/zinc/79/73/00/855797300.db2.gz FUNAWMGCDLICKE-CQSZACIVSA-N 1 1 380.370 3.719 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133850935 862727999 /nfs/dbraw/zinc/72/79/99/862727999.db2.gz MEHCULOJVPCIDS-QGZVFWFLSA-N 1 1 385.439 3.718 20 5 GHBDMO C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001272892963 855991790 /nfs/dbraw/zinc/99/17/90/855991790.db2.gz UPNYGSFZGWEAOC-IAGOWNOFSA-N 1 1 399.466 3.818 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000784012586 856203841 /nfs/dbraw/zinc/20/38/41/856203841.db2.gz SJUTXBSUJSTTJP-YWZLYKJASA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000784012586 856203848 /nfs/dbraw/zinc/20/38/48/856203848.db2.gz SJUTXBSUJSTTJP-YWZLYKJASA-N 1 1 393.447 3.903 20 5 GHBDMO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000429227064 856227042 /nfs/dbraw/zinc/22/70/42/856227042.db2.gz MRSWGWIMPNPWDB-UHFFFAOYSA-N 1 1 377.828 3.720 20 5 GHBDMO C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000301629174 856432974 /nfs/dbraw/zinc/43/29/74/856432974.db2.gz ATUFXHUSJPTKJI-JTQLQIEISA-N 1 1 397.298 3.673 20 5 GHBDMO C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000301629174 856432978 /nfs/dbraw/zinc/43/29/78/856432978.db2.gz ATUFXHUSJPTKJI-JTQLQIEISA-N 1 1 397.298 3.673 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248447377 856460246 /nfs/dbraw/zinc/46/02/46/856460246.db2.gz HIZBGAVJITXZRZ-FZKQIMNGSA-N 1 1 398.394 3.998 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248447377 856460252 /nfs/dbraw/zinc/46/02/52/856460252.db2.gz HIZBGAVJITXZRZ-FZKQIMNGSA-N 1 1 398.394 3.998 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000507913251 856660694 /nfs/dbraw/zinc/66/06/94/856660694.db2.gz JOGZMSHWLNDBIC-UHFFFAOYSA-N 1 1 383.492 3.920 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000507913251 856660702 /nfs/dbraw/zinc/66/07/02/856660702.db2.gz JOGZMSHWLNDBIC-UHFFFAOYSA-N 1 1 383.492 3.920 20 5 GHBDMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000172942511 856676466 /nfs/dbraw/zinc/67/64/66/856676466.db2.gz XEGPTZSTYXBIJG-OAQYLSRUSA-N 1 1 396.468 3.878 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](Cc3ccccc3)[C@H](CO)C3CCC3)nc2c1 ZINC000592139522 856688830 /nfs/dbraw/zinc/68/88/30/856688830.db2.gz LARLGJZVTDOPBV-HXUWFJFHSA-N 1 1 380.448 3.634 20 5 GHBDMO O=C(CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000592139810 856690233 /nfs/dbraw/zinc/69/02/33/856690233.db2.gz ZVLUDBADYAOWDL-OAQYLSRUSA-N 1 1 397.475 3.587 20 5 GHBDMO CCOC(=O)c1cc(NC2CCN(c3cccc(C)[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000301649698 856738210 /nfs/dbraw/zinc/73/82/10/856738210.db2.gz RLAYEUUUIKKWFE-UHFFFAOYSA-N 1 1 384.436 3.556 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC001128905735 856939757 /nfs/dbraw/zinc/93/97/57/856939757.db2.gz GIZFMXDINQQKCB-HSZRJFAPSA-N 1 1 393.487 3.950 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173518369 856969455 /nfs/dbraw/zinc/96/94/55/856969455.db2.gz ZLVKWMJTDMDNSP-ZDUSSCGKSA-N 1 1 387.402 3.998 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000245929047 857201667 /nfs/dbraw/zinc/20/16/67/857201667.db2.gz UPDQSAHCIHQCSS-DLBZAZTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000245929047 857201672 /nfs/dbraw/zinc/20/16/72/857201672.db2.gz UPDQSAHCIHQCSS-DLBZAZTESA-N 1 1 377.803 3.563 20 5 GHBDMO CCc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000174215122 857227492 /nfs/dbraw/zinc/22/74/92/857227492.db2.gz XXZPQSOQXJYRNS-HXUWFJFHSA-N 1 1 396.491 3.679 20 5 GHBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000134227623 862903566 /nfs/dbraw/zinc/90/35/66/862903566.db2.gz JBZWKVULNAOSJG-UHFFFAOYSA-N 1 1 385.439 3.515 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1F ZINC000214034225 857513264 /nfs/dbraw/zinc/51/32/64/857513264.db2.gz OPFXMTVMCYBJGB-UITAMQMPSA-N 1 1 380.379 3.558 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cc1Cl ZINC001271023109 857675324 /nfs/dbraw/zinc/67/53/24/857675324.db2.gz LSQYOIIRFBOQJK-UHFFFAOYSA-N 1 1 399.838 3.748 20 5 GHBDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000301790917 857768123 /nfs/dbraw/zinc/76/81/23/857768123.db2.gz NUUCRPCICFYMFX-MGPUTAFESA-N 1 1 383.496 3.739 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000574564149 858084291 /nfs/dbraw/zinc/08/42/91/858084291.db2.gz WZKWYWXIINQEPE-QGZVFWFLSA-N 1 1 385.439 3.766 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000114642218 858146628 /nfs/dbraw/zinc/14/66/28/858146628.db2.gz HMHSGMGCGOFKLS-MRXNPFEDSA-N 1 1 385.489 3.711 20 5 GHBDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000439066840 858204271 /nfs/dbraw/zinc/20/42/71/858204271.db2.gz DWBLSNNTZOWRSL-UZLBHIALSA-N 1 1 383.496 3.739 20 5 GHBDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000439066840 858204279 /nfs/dbraw/zinc/20/42/79/858204279.db2.gz DWBLSNNTZOWRSL-UZLBHIALSA-N 1 1 383.496 3.739 20 5 GHBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885689 858335844 /nfs/dbraw/zinc/33/58/44/858335844.db2.gz HJXAMHWTFPVRBM-HNNXBMFYSA-N 1 1 386.448 3.923 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301867432 858360923 /nfs/dbraw/zinc/36/09/23/858360923.db2.gz BUYNKWCLJYGPBN-OAHLLOKOSA-N 1 1 380.452 3.624 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000595003859 858363719 /nfs/dbraw/zinc/36/37/19/858363719.db2.gz LOMAVKDGBJKBLE-LAUBAEHRSA-N 1 1 399.491 3.636 20 5 GHBDMO COc1cc(NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cc(OC)c1 ZINC000132376723 858374099 /nfs/dbraw/zinc/37/40/99/858374099.db2.gz BMPKCHKNSOKNTM-UHFFFAOYSA-N 1 1 389.427 3.828 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1 ZINC000439103921 858385694 /nfs/dbraw/zinc/38/56/94/858385694.db2.gz ZCRCHGLQBHPIAN-HNNXBMFYSA-N 1 1 398.463 3.763 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000595295935 858454166 /nfs/dbraw/zinc/45/41/66/858454166.db2.gz HTOPWNQQXBMYDT-MRXNPFEDSA-N 1 1 385.489 3.534 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000301874494 858455619 /nfs/dbraw/zinc/45/56/19/858455619.db2.gz IBUVIAVIMCPULG-UHFFFAOYSA-N 1 1 381.263 3.661 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000079317154 858483057 /nfs/dbraw/zinc/48/30/57/858483057.db2.gz GNNAINKIQVWLST-MAUKXSAKSA-N 1 1 399.472 3.781 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000079317154 858483068 /nfs/dbraw/zinc/48/30/68/858483068.db2.gz GNNAINKIQVWLST-MAUKXSAKSA-N 1 1 399.472 3.781 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)cn1 ZINC000046777952 858489055 /nfs/dbraw/zinc/48/90/55/858489055.db2.gz WGPVMCSRUVABMS-UHFFFAOYSA-N 1 1 383.839 3.514 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000593017790 858536821 /nfs/dbraw/zinc/53/68/21/858536821.db2.gz BCULMXZPTMFBIU-CYBMUJFWSA-N 1 1 388.420 3.558 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000067558176 858615623 /nfs/dbraw/zinc/61/56/23/858615623.db2.gz MDIACBYVXHRXGY-UHFFFAOYSA-N 1 1 383.383 3.858 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595833892 858703249 /nfs/dbraw/zinc/70/32/49/858703249.db2.gz SSEYMGOSLOACPG-LQWHRVPQSA-N 1 1 395.459 3.551 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595833892 858703252 /nfs/dbraw/zinc/70/32/52/858703252.db2.gz SSEYMGOSLOACPG-LQWHRVPQSA-N 1 1 395.459 3.551 20 5 GHBDMO C[C@@H]1C[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000482707602 858782385 /nfs/dbraw/zinc/78/23/85/858782385.db2.gz MOGSWCPSSLQMCJ-SJLPKXTDSA-N 1 1 393.491 3.956 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128732160 858856267 /nfs/dbraw/zinc/85/62/67/858856267.db2.gz YAHVBGDOXPTCAS-CQSZACIVSA-N 1 1 389.427 3.634 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000596424051 858892683 /nfs/dbraw/zinc/89/26/83/858892683.db2.gz PKDWGRDIMJSUTO-INIZCTEOSA-N 1 1 395.381 3.792 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483123173 859163956 /nfs/dbraw/zinc/16/39/56/859163956.db2.gz YGRWXKSDTYTWGS-DZGCQCFKSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483123173 859163965 /nfs/dbraw/zinc/16/39/65/859163965.db2.gz YGRWXKSDTYTWGS-DZGCQCFKSA-N 1 1 387.411 3.559 20 5 GHBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543643382 859179429 /nfs/dbraw/zinc/17/94/29/859179429.db2.gz CCXMAYKPRYAKGB-GDBMZVCRSA-N 1 1 386.427 3.766 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000522378214 859250717 /nfs/dbraw/zinc/25/07/17/859250717.db2.gz TXPSUDHTAWRJIV-MRXNPFEDSA-N 1 1 383.448 3.801 20 5 GHBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000483415193 859348708 /nfs/dbraw/zinc/34/87/08/859348708.db2.gz VXVSSYBQCKBNEI-HXUWFJFHSA-N 1 1 382.395 3.948 20 5 GHBDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000483426762 859357799 /nfs/dbraw/zinc/35/77/99/859357799.db2.gz GBULTYXGIUSKKZ-CQSZACIVSA-N 1 1 389.839 3.705 20 5 GHBDMO COc1cc(CNC2(C[NH+](C)C)CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000466425139 859456052 /nfs/dbraw/zinc/45/60/52/859456052.db2.gz ZVXJGNKGZPVRRM-UHFFFAOYSA-N 1 1 399.491 3.756 20 5 GHBDMO COc1ccc(OCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000764493699 859466429 /nfs/dbraw/zinc/46/64/29/859466429.db2.gz ROAUZSRHCJJEIL-UHFFFAOYSA-N 1 1 387.392 3.555 20 5 GHBDMO C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185129042 859487521 /nfs/dbraw/zinc/48/75/21/859487521.db2.gz WFPXCEGUNKYHMY-HIFRSBDPSA-N 1 1 394.903 3.700 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000129648536 859580800 /nfs/dbraw/zinc/58/08/00/859580800.db2.gz AMLCLAYEKDGOMH-APPDUMDISA-N 1 1 395.431 3.747 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000466465200 859633644 /nfs/dbraw/zinc/63/36/44/859633644.db2.gz VFZZLIAIKHQDRU-UHFFFAOYSA-N 1 1 386.795 3.657 20 5 GHBDMO COc1cc(CN2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000611268188 859673932 /nfs/dbraw/zinc/67/39/32/859673932.db2.gz POVCACUMNQDTBK-QGZVFWFLSA-N 1 1 399.491 3.708 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474237543 859675464 /nfs/dbraw/zinc/67/54/64/859675464.db2.gz ZJDGQXLFVRCJJN-UHFFFAOYSA-N 1 1 397.475 3.649 20 5 GHBDMO Cc1nn(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000764953844 859696071 /nfs/dbraw/zinc/69/60/71/859696071.db2.gz JDYAACGLPCINQN-OAHLLOKOSA-N 1 1 385.493 3.651 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611351207 859714547 /nfs/dbraw/zinc/71/45/47/859714547.db2.gz XWYIITDWXKOYGT-RBSFLKMASA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611351207 859714552 /nfs/dbraw/zinc/71/45/52/859714552.db2.gz XWYIITDWXKOYGT-RBSFLKMASA-N 1 1 395.887 3.714 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000611477425 859775152 /nfs/dbraw/zinc/77/51/52/859775152.db2.gz IOFFCBPVKKCERH-HUUCEWRRSA-N 1 1 377.510 3.844 20 5 GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000611532165 859798117 /nfs/dbraw/zinc/79/81/17/859798117.db2.gz POFKAAOGYDFXME-ZDUSSCGKSA-N 1 1 386.395 3.607 20 5 GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000611532165 859798118 /nfs/dbraw/zinc/79/81/18/859798118.db2.gz POFKAAOGYDFXME-ZDUSSCGKSA-N 1 1 386.395 3.607 20 5 GHBDMO COc1ccc(C[C@H](C)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170347159 881471173 /nfs/dbraw/zinc/47/11/73/881471173.db2.gz QWSAXIRJEYNJHA-WGGBDISSSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170347159 881471180 /nfs/dbraw/zinc/47/11/80/881471180.db2.gz QWSAXIRJEYNJHA-WGGBDISSSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170347159 881471405 /nfs/dbraw/zinc/47/14/05/881471405.db2.gz QWSAXIRJEYNJHA-WGGBDISSSA-N 1 1 395.503 3.741 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c2c(c1)COCO2 ZINC000185317269 859886758 /nfs/dbraw/zinc/88/67/58/859886758.db2.gz VOHXBLCGVCXBIV-GFCCVEGCSA-N 1 1 376.359 3.729 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c2c(c1)COCO2 ZINC000185317269 859886772 /nfs/dbraw/zinc/88/67/72/859886772.db2.gz VOHXBLCGVCXBIV-GFCCVEGCSA-N 1 1 376.359 3.729 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCc3c([nH]nc3C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170351497 881484547 /nfs/dbraw/zinc/48/45/47/881484547.db2.gz CRSCXALCKKLZKO-QLJPJBMISA-N 1 1 384.358 3.891 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170351497 881484646 /nfs/dbraw/zinc/48/46/46/881484646.db2.gz CRSCXALCKKLZKO-QLJPJBMISA-N 1 1 384.358 3.891 20 5 GHBDMO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000428854085 859988718 /nfs/dbraw/zinc/98/87/18/859988718.db2.gz ZUUUDCJBZQCTHJ-MRXNPFEDSA-N 1 1 376.478 3.840 20 5 GHBDMO CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000428854085 859988727 /nfs/dbraw/zinc/98/87/27/859988727.db2.gz ZUUUDCJBZQCTHJ-MRXNPFEDSA-N 1 1 376.478 3.840 20 5 GHBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000484504381 860053606 /nfs/dbraw/zinc/05/36/06/860053606.db2.gz PUPRYYDUFAKJNL-UHFFFAOYSA-N 1 1 384.480 3.667 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000598193483 860121489 /nfs/dbraw/zinc/12/14/89/860121489.db2.gz AJTKBTXEEDACHS-LJQANCHMSA-N 1 1 393.443 3.730 20 5 GHBDMO Cc1cc(NCC[N@H+](C)Cc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060861196 860223962 /nfs/dbraw/zinc/22/39/62/860223962.db2.gz QKJKDKVWUYEQEE-UHFFFAOYSA-N 1 1 377.448 3.904 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Br)cc1 ZINC000007266130 860231357 /nfs/dbraw/zinc/23/13/57/860231357.db2.gz NFHKOGQAJXCBHL-GFCCVEGCSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Br)cc1 ZINC000007266130 860231362 /nfs/dbraw/zinc/23/13/62/860231362.db2.gz NFHKOGQAJXCBHL-GFCCVEGCSA-N 1 1 392.253 3.816 20 5 GHBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000598342722 860231881 /nfs/dbraw/zinc/23/18/81/860231881.db2.gz PQZROCFTMWKWTB-AWEZNQCLSA-N 1 1 377.510 3.844 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598396931 860279068 /nfs/dbraw/zinc/27/90/68/860279068.db2.gz PWVBWGQEDXYBND-IBGZPJMESA-N 1 1 393.487 3.935 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093684869 860331370 /nfs/dbraw/zinc/33/13/70/860331370.db2.gz USBXABDALIMGDY-WHWKNOJMSA-N 1 1 399.413 3.731 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000598509165 860369950 /nfs/dbraw/zinc/36/99/50/860369950.db2.gz JFTJMAOMEIDMDV-CQSZACIVSA-N 1 1 393.365 3.618 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000598509165 860369955 /nfs/dbraw/zinc/36/99/55/860369955.db2.gz JFTJMAOMEIDMDV-CQSZACIVSA-N 1 1 393.365 3.618 20 5 GHBDMO COc1cc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301378306 860464295 /nfs/dbraw/zinc/46/42/95/860464295.db2.gz XJLGPVNJUNEHQB-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598651045 860482645 /nfs/dbraw/zinc/48/26/45/860482645.db2.gz QFRNOMYNPIUEDI-CDXJDZJCSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598651045 860482651 /nfs/dbraw/zinc/48/26/51/860482651.db2.gz QFRNOMYNPIUEDI-CDXJDZJCSA-N 1 1 397.475 3.533 20 5 GHBDMO COc1cc(C[NH+]2CC(Cc3ccsc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000598678488 860497981 /nfs/dbraw/zinc/49/79/81/860497981.db2.gz QESUKVJJMDJPOS-UHFFFAOYSA-N 1 1 398.431 3.983 20 5 GHBDMO Cc1c(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000428997000 860636306 /nfs/dbraw/zinc/63/63/06/860636306.db2.gz ROZYUPHUDCEURS-HNNXBMFYSA-N 1 1 383.217 3.628 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000156001865 860654467 /nfs/dbraw/zinc/65/44/67/860654467.db2.gz BZUAZLXSGGQLAO-NRFANRHFSA-N 1 1 397.475 3.505 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173085243 860727408 /nfs/dbraw/zinc/72/74/08/860727408.db2.gz YLDJRMIBYRRSDX-OAHLLOKOSA-N 1 1 397.353 3.774 20 5 GHBDMO O=[N+]([O-])c1c(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc2cnccc21 ZINC000599066595 860773477 /nfs/dbraw/zinc/77/34/77/860773477.db2.gz SUGZFVIQNGPAAI-IBGZPJMESA-N 1 1 392.459 3.712 20 5 GHBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000603586112 860867724 /nfs/dbraw/zinc/86/77/24/860867724.db2.gz MHDJUIFWLKYCPE-CYBMUJFWSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000603586112 860867733 /nfs/dbraw/zinc/86/77/33/860867733.db2.gz MHDJUIFWLKYCPE-CYBMUJFWSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@@H+](CCc1ccc(Br)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000730255409 860977204 /nfs/dbraw/zinc/97/72/04/860977204.db2.gz USIUWYALCRXNSC-UHFFFAOYSA-N 1 1 389.253 3.839 20 5 GHBDMO C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@@H+](C)Cc1ccccc1 ZINC000444005467 863115507 /nfs/dbraw/zinc/11/55/07/863115507.db2.gz RCYNFMCBYWSKES-KRWDZBQOSA-N 1 1 399.494 3.932 20 5 GHBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000121218020 863115668 /nfs/dbraw/zinc/11/56/68/863115668.db2.gz ZHGMSNSBICEPKG-BEFAXECRSA-N 1 1 382.464 3.751 20 5 GHBDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC3 ZINC000609195977 881667125 /nfs/dbraw/zinc/66/71/25/881667125.db2.gz PHMZMNUUOOCCPY-UHFFFAOYSA-N 1 1 378.432 3.771 20 5 GHBDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC3 ZINC000609195977 881667132 /nfs/dbraw/zinc/66/71/32/881667132.db2.gz PHMZMNUUOOCCPY-UHFFFAOYSA-N 1 1 378.432 3.771 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](c4nccc(C(F)(F)F)n4)C3)c2c1 ZINC000896903787 863525050 /nfs/dbraw/zinc/52/50/50/863525050.db2.gz MKQIYPHUHKAPHS-NSHDSACASA-N 1 1 389.337 3.946 20 5 GHBDMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000522873360 863616869 /nfs/dbraw/zinc/61/68/69/863616869.db2.gz XSVYCRVRYYRIPL-IBGZPJMESA-N 1 1 379.460 3.786 20 5 GHBDMO CSc1cccc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1[N+](=O)[O-] ZINC000186172251 864404928 /nfs/dbraw/zinc/40/49/28/864404928.db2.gz YBTKOGFHSRXMEW-HNNXBMFYSA-N 1 1 383.473 3.942 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000480519733 864797952 /nfs/dbraw/zinc/79/79/52/864797952.db2.gz RAEVROHKCRBJAV-KRWDZBQOSA-N 1 1 376.501 3.800 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186328136 864831231 /nfs/dbraw/zinc/83/12/31/864831231.db2.gz DLPMGABSZKASNT-NRFANRHFSA-N 1 1 396.491 3.647 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)c3cc([N+](=O)[O-])ccc3C)CC[N@H+]2C)cc1 ZINC000735902258 865042300 /nfs/dbraw/zinc/04/23/00/865042300.db2.gz DEOMUYHLHCEHHF-OXQOHEQNSA-N 1 1 384.432 3.762 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC(c4ccccc4F)CC3)n2)cc1 ZINC000736280456 865170346 /nfs/dbraw/zinc/17/03/46/865170346.db2.gz QQEDUPIEKSEUPO-UHFFFAOYSA-N 1 1 381.411 3.830 20 5 GHBDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000063737931 865267169 /nfs/dbraw/zinc/26/71/69/865267169.db2.gz ORGOFOTXFWLJLF-INIZCTEOSA-N 1 1 399.495 3.623 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c1C ZINC000897371739 881886517 /nfs/dbraw/zinc/88/65/17/881886517.db2.gz DDVNVDSHUFOXHF-UHFFFAOYSA-N 1 1 397.475 3.593 20 5 GHBDMO CCOc1cccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000195272116 881890049 /nfs/dbraw/zinc/89/00/49/881890049.db2.gz UQAMVVMZIFAYCO-SFHVURJKSA-N 1 1 385.464 3.562 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534221051 866325414 /nfs/dbraw/zinc/32/54/14/866325414.db2.gz GPBFIAHLKWYOJQ-UHFFFAOYSA-N 1 1 393.487 3.652 20 5 GHBDMO COc1ccccc1[C@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[NH+](C)C ZINC000475583787 866431548 /nfs/dbraw/zinc/43/15/48/866431548.db2.gz NBMVZCQPPXUXDB-SFHVURJKSA-N 1 1 386.452 3.645 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOCC4(CCOCC4)C3)s2)cc1 ZINC000183267611 866506668 /nfs/dbraw/zinc/50/66/68/866506668.db2.gz AZOPHODKIGNNIX-UHFFFAOYSA-N 1 1 388.489 3.952 20 5 GHBDMO CCC[N@@H+](C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553028437 866649786 /nfs/dbraw/zinc/64/97/86/866649786.db2.gz KQYGDNZUMCNPLA-QGZVFWFLSA-N 1 1 390.871 3.643 20 5 GHBDMO Cc1c(CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000478803804 866673947 /nfs/dbraw/zinc/67/39/47/866673947.db2.gz GMEWDNAEXSMKHO-UHFFFAOYSA-N 1 1 396.491 3.539 20 5 GHBDMO NC(=O)CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1 ZINC000122104196 866814762 /nfs/dbraw/zinc/81/47/62/866814762.db2.gz GBXFEWDMBMLSOG-UHFFFAOYSA-N 1 1 379.416 3.732 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000534543613 866984019 /nfs/dbraw/zinc/98/40/19/866984019.db2.gz JUXCZSXTOIHUKO-IBGZPJMESA-N 1 1 397.475 3.736 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000440540712 867179047 /nfs/dbraw/zinc/17/90/47/867179047.db2.gz SAHPGBQQHFWLAT-IBGZPJMESA-N 1 1 381.476 3.887 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000444894646 867452893 /nfs/dbraw/zinc/45/28/93/867452893.db2.gz AXRDXGRFTMKHDE-INIZCTEOSA-N 1 1 392.843 3.681 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000743061945 867809126 /nfs/dbraw/zinc/80/91/26/867809126.db2.gz RYRRYCHPFFIGQW-HXUWFJFHSA-N 1 1 398.532 3.960 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cn3cc(-c4ccccc4)cn3)CC2)cc1 ZINC000743390391 868148726 /nfs/dbraw/zinc/14/87/26/868148726.db2.gz JKDMRAJTNSEBBJ-UHFFFAOYSA-N 1 1 378.432 3.959 20 5 GHBDMO Cc1c(CNC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000479764232 868489203 /nfs/dbraw/zinc/48/92/03/868489203.db2.gz FKGAHBDRFTUIPO-OAQYLSRUSA-N 1 1 396.491 3.613 20 5 GHBDMO CC(C)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000524058263 868499895 /nfs/dbraw/zinc/49/98/95/868499895.db2.gz FIWHRMQIYIVQCN-UHFFFAOYSA-N 1 1 387.867 3.815 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000535367747 868636438 /nfs/dbraw/zinc/63/64/38/868636438.db2.gz TWGYNYNGQGNIQI-CRAIPNDOSA-N 1 1 392.459 3.570 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000524198564 868726657 /nfs/dbraw/zinc/72/66/57/868726657.db2.gz WCFVQGMWHJEFFL-UHFFFAOYSA-N 1 1 397.903 3.740 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000475702021 882298194 /nfs/dbraw/zinc/29/81/94/882298194.db2.gz RHMMLYRYKHTHKY-GOEBONIOSA-N 1 1 388.420 3.713 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000475702021 882298211 /nfs/dbraw/zinc/29/82/11/882298211.db2.gz RHMMLYRYKHTHKY-GOEBONIOSA-N 1 1 388.420 3.713 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Br ZINC000539836614 869875773 /nfs/dbraw/zinc/87/57/73/869875773.db2.gz SFQDPIKEVWBNFG-CQSZACIVSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Br ZINC000539836614 869875792 /nfs/dbraw/zinc/87/57/92/869875792.db2.gz SFQDPIKEVWBNFG-CQSZACIVSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441043310 869920248 /nfs/dbraw/zinc/92/02/48/869920248.db2.gz HCKMDISNOIXGLE-MGPUTAFESA-N 1 1 383.448 3.556 20 5 GHBDMO COc1cccc(C[N@@H+](CC(C)C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000746053480 869980290 /nfs/dbraw/zinc/98/02/90/869980290.db2.gz ICTNNNRCDASRQS-UHFFFAOYSA-N 1 1 395.463 3.978 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000441069303 870167966 /nfs/dbraw/zinc/16/79/66/870167966.db2.gz SQCDYLFWXOJKDN-KRWDZBQOSA-N 1 1 383.448 3.668 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000441069303 870167971 /nfs/dbraw/zinc/16/79/71/870167971.db2.gz SQCDYLFWXOJKDN-KRWDZBQOSA-N 1 1 383.448 3.668 20 5 GHBDMO CCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000538720388 870415562 /nfs/dbraw/zinc/41/55/62/870415562.db2.gz WPZWUIZBVZGNMP-KYNGSXCRSA-N 1 1 378.469 3.638 20 5 GHBDMO CC(C)[N@H+](Cc1cnn(Cc2ccccc2)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001192535741 870495520 /nfs/dbraw/zinc/49/55/20/870495520.db2.gz IXMBZWNILFAAJX-QFIPXVFZSA-N 1 1 394.475 3.784 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1)CC(C)C ZINC000540235063 870817654 /nfs/dbraw/zinc/81/76/54/870817654.db2.gz KIYZMBDPIAIGLI-UHFFFAOYSA-N 1 1 379.476 3.954 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H](C(N)=O)C1 ZINC000428461466 870828014 /nfs/dbraw/zinc/82/80/14/870828014.db2.gz OWONCWLQOIAAIK-BDJLRTHQSA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H](C(N)=O)C1 ZINC000428461466 870828021 /nfs/dbraw/zinc/82/80/21/870828021.db2.gz OWONCWLQOIAAIK-BDJLRTHQSA-N 1 1 377.828 3.594 20 5 GHBDMO Cc1ccc(CC[N@H+](Cc2ccco2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000461769703 870913071 /nfs/dbraw/zinc/91/30/71/870913071.db2.gz YSWTVHJMLFXLQY-UHFFFAOYSA-N 1 1 393.443 3.840 20 5 GHBDMO Cc1ccc(CC[N@@H+](Cc2ccco2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000461769703 870913080 /nfs/dbraw/zinc/91/30/80/870913080.db2.gz YSWTVHJMLFXLQY-UHFFFAOYSA-N 1 1 393.443 3.840 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NS(=O)(=O)C[C@H]1CCCO1 ZINC001193273544 870995458 /nfs/dbraw/zinc/99/54/58/870995458.db2.gz DVUIBVIDAYWZLG-GOSISDBHSA-N 1 1 399.516 3.683 20 5 GHBDMO COc1ccc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)cc1[N+](=O)[O-] ZINC000447101224 871025246 /nfs/dbraw/zinc/02/52/46/871025246.db2.gz WTKYOFNUSMAKHC-MRXNPFEDSA-N 1 1 392.459 3.862 20 5 GHBDMO COc1ccc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)cc1[N+](=O)[O-] ZINC000447101224 871025266 /nfs/dbraw/zinc/02/52/66/871025266.db2.gz WTKYOFNUSMAKHC-MRXNPFEDSA-N 1 1 392.459 3.862 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000540432069 871296600 /nfs/dbraw/zinc/29/66/00/871296600.db2.gz CFNWISKHARYCOZ-CYBMUJFWSA-N 1 1 397.258 3.920 20 5 GHBDMO CCc1ccc([C@@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001194115572 871483855 /nfs/dbraw/zinc/48/38/55/871483855.db2.gz CJYOLQLMVHEGMB-LJQANCHMSA-N 1 1 381.476 4.000 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000181981989 871686601 /nfs/dbraw/zinc/68/66/01/871686601.db2.gz CGMMBNIODZVVPJ-QWRGUYRKSA-N 1 1 379.363 3.559 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc([N+](=O)[O-])ccc1Br ZINC001169667773 871737264 /nfs/dbraw/zinc/73/72/64/871737264.db2.gz XFAYZMWBRKHKKY-UHFFFAOYSA-N 1 1 394.225 3.940 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc([N+](=O)[O-])ccc1Br ZINC001169667773 871737282 /nfs/dbraw/zinc/73/72/82/871737282.db2.gz XFAYZMWBRKHKKY-UHFFFAOYSA-N 1 1 394.225 3.940 20 5 GHBDMO CCC[N@H+]1CC[C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447673115 872072154 /nfs/dbraw/zinc/07/21/54/872072154.db2.gz WPPWETKDSKHGMQ-SNVBAGLBSA-N 1 1 382.333 3.788 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000447680397 872088729 /nfs/dbraw/zinc/08/87/29/872088729.db2.gz OGNKTXOLXJQLFH-UHFFFAOYSA-N 1 1 382.342 3.760 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)nc2c1 ZINC000447685287 872163419 /nfs/dbraw/zinc/16/34/19/872163419.db2.gz JSKNMJFUCJHBEX-DYESRHJHSA-N 1 1 391.475 3.962 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478230013 872696205 /nfs/dbraw/zinc/69/62/05/872696205.db2.gz KBKXGXMCWAVRNP-WMZOPIPTSA-N 1 1 395.793 3.588 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC001196083204 872869751 /nfs/dbraw/zinc/86/97/51/872869751.db2.gz IXGMDWDPVKUJMN-LJQANCHMSA-N 1 1 397.475 3.911 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC001196083204 872869762 /nfs/dbraw/zinc/86/97/62/872869762.db2.gz IXGMDWDPVKUJMN-LJQANCHMSA-N 1 1 397.475 3.911 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000478428013 872979358 /nfs/dbraw/zinc/97/93/58/872979358.db2.gz BWGPEJBEROUSQP-MRXNPFEDSA-N 1 1 397.475 3.765 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000619846893 873075068 /nfs/dbraw/zinc/07/50/68/873075068.db2.gz NBQLZBBAGCHXMK-SFHVURJKSA-N 1 1 380.803 3.947 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000619846893 873075086 /nfs/dbraw/zinc/07/50/86/873075086.db2.gz NBQLZBBAGCHXMK-SFHVURJKSA-N 1 1 380.803 3.947 20 5 GHBDMO CC[N@H+](CCOc1ccccc1OC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001196481259 873127245 /nfs/dbraw/zinc/12/72/45/873127245.db2.gz ZYZCBMVIYTWNKZ-UHFFFAOYSA-N 1 1 378.400 3.652 20 5 GHBDMO CC[N@@H+](CCOc1ccccc1OC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001196481259 873127259 /nfs/dbraw/zinc/12/72/59/873127259.db2.gz ZYZCBMVIYTWNKZ-UHFFFAOYSA-N 1 1 378.400 3.652 20 5 GHBDMO CC[C@H](c1ccccc1)[N@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541273695 873279353 /nfs/dbraw/zinc/27/93/53/873279353.db2.gz XQNKFEQUBFTWHB-LJQANCHMSA-N 1 1 376.478 3.842 20 5 GHBDMO CC[C@H](c1ccccc1)[N@@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541273695 873279367 /nfs/dbraw/zinc/27/93/67/873279367.db2.gz XQNKFEQUBFTWHB-LJQANCHMSA-N 1 1 376.478 3.842 20 5 GHBDMO CCOc1ccc(C2=CC[N@H+](Cn3nc(C)c4cc([N+](=O)[O-])cnc43)CC2)cc1 ZINC000768459681 873326419 /nfs/dbraw/zinc/32/64/19/873326419.db2.gz NSXLVKQRCXKZIJ-UHFFFAOYSA-N 1 1 393.447 3.793 20 5 GHBDMO CCOc1ccc(C2=CC[N@@H+](Cn3nc(C)c4cc([N+](=O)[O-])cnc43)CC2)cc1 ZINC000768459681 873326434 /nfs/dbraw/zinc/32/64/34/873326434.db2.gz NSXLVKQRCXKZIJ-UHFFFAOYSA-N 1 1 393.447 3.793 20 5 GHBDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)c1 ZINC000541394758 873506932 /nfs/dbraw/zinc/50/69/32/873506932.db2.gz WBNVFZWFMRJFHZ-QGZVFWFLSA-N 1 1 395.459 3.999 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001197167522 873633762 /nfs/dbraw/zinc/63/37/62/873633762.db2.gz IEYNEPWRWVWVCX-NVXWUHKLSA-N 1 1 393.459 3.955 20 5 GHBDMO COc1cccc([C@H]2CC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2(C)C)c1 ZINC001197423296 873803832 /nfs/dbraw/zinc/80/38/32/873803832.db2.gz VDDZPJLMNGDXOM-HXUWFJFHSA-N 1 1 397.475 3.834 20 5 GHBDMO Cc1ccc(O[C@H]2CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)nc1 ZINC000858043200 882773838 /nfs/dbraw/zinc/77/38/38/882773838.db2.gz ULKGSPBBPFWBEH-SFHVURJKSA-N 1 1 380.404 3.607 20 5 GHBDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)nc1 ZINC000858043200 882773849 /nfs/dbraw/zinc/77/38/49/882773849.db2.gz ULKGSPBBPFWBEH-SFHVURJKSA-N 1 1 380.404 3.607 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)nc1 ZINC000769461873 874086872 /nfs/dbraw/zinc/08/68/72/874086872.db2.gz AFYFJNXUFDRDEF-GOSISDBHSA-N 1 1 381.480 3.667 20 5 GHBDMO CN(CC(F)F)C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000769510775 874118051 /nfs/dbraw/zinc/11/80/51/874118051.db2.gz OTWYRFMCRZFOKB-UHFFFAOYSA-N 1 1 396.463 3.880 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541785045 874300047 /nfs/dbraw/zinc/30/00/47/874300047.db2.gz CTBFMRLQNSPREJ-KDOFPFPSSA-N 1 1 386.427 3.766 20 5 GHBDMO COc1ccc(C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C2CC2)cc1 ZINC000026261245 874388400 /nfs/dbraw/zinc/38/84/00/874388400.db2.gz UMLWKRSADWGVQV-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000770376583 874617863 /nfs/dbraw/zinc/61/78/63/874617863.db2.gz WBACAANFQKQNHS-GUYCJALGSA-N 1 1 394.313 3.806 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cnnn3Cc3ccccc3)C2)cc1 ZINC000449498887 874956341 /nfs/dbraw/zinc/95/63/41/874956341.db2.gz LIQNZYLXAFQENZ-IBGZPJMESA-N 1 1 377.448 3.614 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CC1 ZINC000775982614 875010642 /nfs/dbraw/zinc/01/06/42/875010642.db2.gz DXKFAQXYKDCUPU-LJQANCHMSA-N 1 1 389.402 3.513 20 5 GHBDMO COc1cc(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000449627810 875149747 /nfs/dbraw/zinc/14/97/47/875149747.db2.gz AUGMDTWPPMYNMM-CVEARBPZSA-N 1 1 386.395 3.594 20 5 GHBDMO CC(C)C[N@H+]1CCO[C@@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491409501 875674888 /nfs/dbraw/zinc/67/48/88/875674888.db2.gz HUKODKIUCQQPBG-FCHUYYIVSA-N 1 1 383.492 3.631 20 5 GHBDMO CC(C)CN1CCO[C@@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491409501 875674902 /nfs/dbraw/zinc/67/49/02/875674902.db2.gz HUKODKIUCQQPBG-FCHUYYIVSA-N 1 1 383.492 3.631 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@H](CC(N)=O)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000549907828 875853805 /nfs/dbraw/zinc/85/38/05/875853805.db2.gz MLERRKOFYGUJFF-GOSISDBHSA-N 1 1 395.415 3.570 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450457432 876462465 /nfs/dbraw/zinc/46/24/65/876462465.db2.gz VLUTUYAVKCMZCK-JXFKEZNVSA-N 1 1 377.448 3.667 20 5 GHBDMO Cc1cc[nH+]c(N2CCN(c3ccc(C)c(Br)c3[N+](=O)[O-])CC2)c1 ZINC000804559071 883041628 /nfs/dbraw/zinc/04/16/28/883041628.db2.gz QPWFORMLUBTDAH-UHFFFAOYSA-N 1 1 391.269 3.696 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492358436 876705427 /nfs/dbraw/zinc/70/54/27/876705427.db2.gz RUVIMARNAJJLAH-KRWDZBQOSA-N 1 1 383.448 3.844 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000786799552 876959690 /nfs/dbraw/zinc/95/96/90/876959690.db2.gz FUVKSJVABWYCES-QGZVFWFLSA-N 1 1 375.856 3.817 20 5 GHBDMO O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786883847 877037922 /nfs/dbraw/zinc/03/79/22/877037922.db2.gz UDVFXICSVUMOBY-OAHLLOKOSA-N 1 1 397.269 3.808 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000609919614 877188667 /nfs/dbraw/zinc/18/86/67/877188667.db2.gz PWHQKELRFOTLQF-DLBZAZTESA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000609919614 877188678 /nfs/dbraw/zinc/18/86/78/877188678.db2.gz PWHQKELRFOTLQF-DLBZAZTESA-N 1 1 382.464 3.572 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000443972101 877217753 /nfs/dbraw/zinc/21/77/53/877217753.db2.gz LWFYXXTYOFSPFP-UHFFFAOYSA-N 1 1 388.493 3.665 20 5 GHBDMO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cc([N+](=O)[O-])c1 ZINC000609976052 877239898 /nfs/dbraw/zinc/23/98/98/877239898.db2.gz SXOVQOPSUQAVQE-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1cc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cc([N+](=O)[O-])c1 ZINC000609976052 877239913 /nfs/dbraw/zinc/23/99/13/877239913.db2.gz SXOVQOPSUQAVQE-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO C[C@@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000477253953 877304475 /nfs/dbraw/zinc/30/44/75/877304475.db2.gz IRDJHKAVWNYIHJ-VFNWGFHPSA-N 1 1 399.466 3.864 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610060983 877342772 /nfs/dbraw/zinc/34/27/72/877342772.db2.gz NZNQISMNDIDCNQ-CALCHBBNSA-N 1 1 375.513 3.747 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610128080 877441776 /nfs/dbraw/zinc/44/17/76/877441776.db2.gz YUFLWSKSQDOYOB-INIZCTEOSA-N 1 1 392.459 3.813 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000031006285 877746013 /nfs/dbraw/zinc/74/60/13/877746013.db2.gz KVCQJGJQUOGTOJ-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)cc1F ZINC000179623694 877760091 /nfs/dbraw/zinc/76/00/91/877760091.db2.gz OISABVXWICVFAU-OAHLLOKOSA-N 1 1 379.363 3.561 20 5 GHBDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000179638802 877810669 /nfs/dbraw/zinc/81/06/69/877810669.db2.gz CDQYBQHJCCOXCL-OAHLLOKOSA-N 1 1 379.363 3.561 20 5 GHBDMO NC(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000179807116 878041587 /nfs/dbraw/zinc/04/15/87/878041587.db2.gz CJLFTYMAVCXGCS-FQEVSTJZSA-N 1 1 393.418 3.906 20 5 GHBDMO CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000776581743 878200821 /nfs/dbraw/zinc/20/08/21/878200821.db2.gz LOMQHCAXSUUDNB-YHYVQYDKSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000776581743 878200837 /nfs/dbraw/zinc/20/08/37/878200837.db2.gz LOMQHCAXSUUDNB-YHYVQYDKSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000776581743 878200858 /nfs/dbraw/zinc/20/08/58/878200858.db2.gz LOMQHCAXSUUDNB-YHYVQYDKSA-N 1 1 383.492 3.786 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000776592466 878303528 /nfs/dbraw/zinc/30/35/28/878303528.db2.gz OTUMDSKKGMMHOH-VOQZNFBZSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000776592466 878303542 /nfs/dbraw/zinc/30/35/42/878303542.db2.gz OTUMDSKKGMMHOH-VOQZNFBZSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000776592466 878303548 /nfs/dbraw/zinc/30/35/48/878303548.db2.gz OTUMDSKKGMMHOH-VOQZNFBZSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000068353585 878358827 /nfs/dbraw/zinc/35/88/27/878358827.db2.gz BVLALQVCBQEGFD-HUUCEWRRSA-N 1 1 397.903 3.786 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000180126248 878533870 /nfs/dbraw/zinc/53/38/70/878533870.db2.gz GPXPGRIHUGFQCW-HNNXBMFYSA-N 1 1 377.466 3.721 20 5 GHBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000285612809 912361750 /nfs/dbraw/zinc/36/17/50/912361750.db2.gz YYXJRJSLNHZPOG-OAHLLOKOSA-N 1 1 375.381 3.761 20 5 GHBDMO C[C@@H](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000530856326 878624955 /nfs/dbraw/zinc/62/49/55/878624955.db2.gz DSNFUAAZCIUMEM-AWEZNQCLSA-N 1 1 381.436 3.566 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)ccc1[N+](=O)[O-] ZINC000789366534 878903198 /nfs/dbraw/zinc/90/31/98/878903198.db2.gz OWNPFNZPPLBIRR-AWEZNQCLSA-N 1 1 385.420 3.753 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])cc1OC ZINC000180505778 878976562 /nfs/dbraw/zinc/97/65/62/878976562.db2.gz FQYCZXAGLPJHMP-HOCLYGCPSA-N 1 1 392.477 3.762 20 5 GHBDMO CCS(=O)(=O)CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000069173129 879653606 /nfs/dbraw/zinc/65/36/06/879653606.db2.gz UNADTKPMBBHQGS-UHFFFAOYSA-N 1 1 398.868 3.565 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790538407 879773629 /nfs/dbraw/zinc/77/36/29/879773629.db2.gz IKGGCMBNYFEDMY-OKILXGFUSA-N 1 1 399.894 3.804 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790573241 879830817 /nfs/dbraw/zinc/83/08/17/879830817.db2.gz NKSFMAIMWBHKMB-GFCCVEGCSA-N 1 1 385.867 3.557 20 5 GHBDMO C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000494049521 879855628 /nfs/dbraw/zinc/85/56/28/879855628.db2.gz NQHYVGBSBZNDPL-IFXJQAMLSA-N 1 1 387.867 3.570 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000031765856 879981316 /nfs/dbraw/zinc/98/13/16/879981316.db2.gz FDSWLOSHANLGQT-UHFFFAOYSA-N 1 1 399.516 3.973 20 5 GHBDMO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452833941 880117389 /nfs/dbraw/zinc/11/73/89/880117389.db2.gz BKEBQRHZOYBPCE-RBUKOAKNSA-N 1 1 385.508 3.955 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)ccc1Oc1ccc(F)cc1 ZINC000531564468 880117754 /nfs/dbraw/zinc/11/77/54/880117754.db2.gz JTQVXLUYCXDTCB-INIZCTEOSA-N 1 1 382.395 3.896 20 5 GHBDMO C[N@@H+](Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N)sc2c1)C1CC1 ZINC000855469583 880535987 /nfs/dbraw/zinc/53/59/87/880535987.db2.gz KMDLFYIWKDQHHE-UHFFFAOYSA-N 1 1 397.460 3.633 20 5 GHBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000531868798 880647520 /nfs/dbraw/zinc/64/75/20/880647520.db2.gz KVDKHSACFISHMK-CYBMUJFWSA-N 1 1 375.425 3.680 20 5 GHBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000531868798 880647525 /nfs/dbraw/zinc/64/75/25/880647525.db2.gz KVDKHSACFISHMK-CYBMUJFWSA-N 1 1 375.425 3.680 20 5 GHBDMO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000792377839 881086877 /nfs/dbraw/zinc/08/68/77/881086877.db2.gz YMWMFIUXEMICRY-NRFANRHFSA-N 1 1 398.438 3.686 20 5 GHBDMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000792377839 881086897 /nfs/dbraw/zinc/08/68/97/881086897.db2.gz YMWMFIUXEMICRY-NRFANRHFSA-N 1 1 398.438 3.686 20 5 GHBDMO Cc1ccc(NCCC[N@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804650137 883167365 /nfs/dbraw/zinc/16/73/65/883167365.db2.gz ALUKLQPGTUBGAM-ZDUSSCGKSA-N 1 1 386.290 3.579 20 5 GHBDMO O=[N+]([O-])c1cccc(/C=C/c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c1 ZINC000609475461 883238689 /nfs/dbraw/zinc/23/86/89/883238689.db2.gz JUNMKOMMIXASJQ-RMKNXTFCSA-N 1 1 392.415 3.647 20 5 GHBDMO O=c1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000286408152 912734633 /nfs/dbraw/zinc/73/46/33/912734633.db2.gz HTCNQNVOPCJNKS-NVXWUHKLSA-N 1 1 391.389 3.939 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609853552 883732175 /nfs/dbraw/zinc/73/21/75/883732175.db2.gz ZEENVRYIUCVUAE-INIZCTEOSA-N 1 1 377.828 3.798 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@H](C)C1 ZINC000859417344 883804803 /nfs/dbraw/zinc/80/48/03/883804803.db2.gz QPCCYXNSTSGQPH-IIBYNOLFSA-N 1 1 399.491 3.615 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC001183728002 912758186 /nfs/dbraw/zinc/75/81/86/912758186.db2.gz ONIHFEUSCWCUDN-SFHVURJKSA-N 1 1 383.404 3.766 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000760232028 884029160 /nfs/dbraw/zinc/02/91/60/884029160.db2.gz KRJLZTJZDCNYJU-IRXDYDNUSA-N 1 1 390.896 3.980 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000760232028 884029178 /nfs/dbraw/zinc/02/91/78/884029178.db2.gz KRJLZTJZDCNYJU-IRXDYDNUSA-N 1 1 390.896 3.980 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000026224304 884186133 /nfs/dbraw/zinc/18/61/33/884186133.db2.gz QNYFDLNSXJKNBH-UHFFFAOYSA-N 1 1 393.390 3.965 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000026226290 884204345 /nfs/dbraw/zinc/20/43/45/884204345.db2.gz RBBQFXLSDAAVLE-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193101124 884212311 /nfs/dbraw/zinc/21/23/11/884212311.db2.gz MUJRIJVEBTZQBK-NHCUHLMSSA-N 1 1 394.475 3.534 20 5 GHBDMO NC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000237767943 884851296 /nfs/dbraw/zinc/85/12/96/884851296.db2.gz VHHPQBWGWVKESL-UHFFFAOYSA-N 1 1 385.807 3.897 20 5 GHBDMO CSc1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4C)nc3)no2)cc1[N+](=O)[O-] ZINC000761917930 884977195 /nfs/dbraw/zinc/97/71/95/884977195.db2.gz LESVOZHFTGZGHG-UHFFFAOYSA-N 1 1 394.416 3.923 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000532471060 885670573 /nfs/dbraw/zinc/67/05/73/885670573.db2.gz FHIXTHKUXQJKBC-YXJHDRRASA-N 1 1 375.469 3.833 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(NC(=O)C2CC2)cc1 ZINC000171127788 885738023 /nfs/dbraw/zinc/73/80/23/885738023.db2.gz OXRFUWJDOZLACY-CYBMUJFWSA-N 1 1 397.431 3.661 20 5 GHBDMO CSc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC001168308190 885833569 /nfs/dbraw/zinc/83/35/69/885833569.db2.gz FNPCFSMZRVRNJV-QGZVFWFLSA-N 1 1 388.489 3.721 20 5 GHBDMO CSc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC001168308190 885833580 /nfs/dbraw/zinc/83/35/80/885833580.db2.gz FNPCFSMZRVRNJV-QGZVFWFLSA-N 1 1 388.489 3.721 20 5 GHBDMO O=C(CC[NH2+][C@@H](c1nccs1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000195036588 886153168 /nfs/dbraw/zinc/15/31/68/886153168.db2.gz DJXAOUVMFJADRY-GOSISDBHSA-N 1 1 382.445 3.759 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc(C)c([N+](=O)[O-])c3)C2)s1 ZINC000556827144 886273733 /nfs/dbraw/zinc/27/37/33/886273733.db2.gz IUSHGLFSRJMVQT-INIZCTEOSA-N 1 1 387.505 3.867 20 5 GHBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000487940877 886277410 /nfs/dbraw/zinc/27/74/10/886277410.db2.gz GPJZCQBJPMZXEJ-UHFFFAOYSA-N 1 1 380.423 3.994 20 5 GHBDMO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000556870503 886421042 /nfs/dbraw/zinc/42/10/42/886421042.db2.gz NXRBSOLCLQMTJV-OTWHNJEPSA-N 1 1 384.480 3.745 20 5 GHBDMO Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000795946808 913062354 /nfs/dbraw/zinc/06/23/54/913062354.db2.gz RYTSYIRYHLUSQD-UHFFFAOYSA-N 1 1 392.799 3.779 20 5 GHBDMO CC[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@H+]1CCc2ccccc2C1 ZINC000536508880 886624508 /nfs/dbraw/zinc/62/45/08/886624508.db2.gz WJJFVARMLLUKHA-KRWDZBQOSA-N 1 1 392.459 3.643 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000795960195 913091966 /nfs/dbraw/zinc/09/19/66/913091966.db2.gz ITWACVQIDCETEI-SFHVURJKSA-N 1 1 385.411 3.656 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000774741065 913151225 /nfs/dbraw/zinc/15/12/25/913151225.db2.gz YUGGOEGMQSPWBH-UHFFFAOYSA-N 1 1 379.363 3.947 20 5 GHBDMO CC(C)c1nc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000272477423 887568431 /nfs/dbraw/zinc/56/84/31/887568431.db2.gz BLQIOYUBYNGHAJ-QGZVFWFLSA-N 1 1 385.493 3.830 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC001132086318 888215677 /nfs/dbraw/zinc/21/56/77/888215677.db2.gz LLJWRGQDQZLVQP-RDJZCZTQSA-N 1 1 385.439 3.540 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)CC2)[nH+]c1 ZINC000194429560 888324198 /nfs/dbraw/zinc/32/41/98/888324198.db2.gz YRTWLHLTEWWDAN-UHFFFAOYSA-N 1 1 396.491 3.952 20 5 GHBDMO COc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000475927948 888597101 /nfs/dbraw/zinc/59/71/01/888597101.db2.gz BRCPZDIVTZZEHM-AYHJJNSGSA-N 1 1 395.459 3.529 20 5 GHBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000810614656 888680407 /nfs/dbraw/zinc/68/04/07/888680407.db2.gz INYOHZSPIRULED-OAHLLOKOSA-N 1 1 394.431 3.957 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)c(Br)c1 ZINC000796111350 913288555 /nfs/dbraw/zinc/28/85/55/913288555.db2.gz DNJTXWXUPKQQHA-KRWDZBQOSA-N 1 1 397.244 3.704 20 5 GHBDMO CCc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301140436 888933514 /nfs/dbraw/zinc/93/35/14/888933514.db2.gz ATYDDRONVKVFRS-OAHLLOKOSA-N 1 1 378.436 3.721 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000532795696 889003326 /nfs/dbraw/zinc/00/33/26/889003326.db2.gz QHXWIZNTGBGZKR-XLIONFOSSA-N 1 1 396.491 3.695 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000532940887 889342072 /nfs/dbraw/zinc/34/20/72/889342072.db2.gz FIIWFAXIYNHKEN-QGZVFWFLSA-N 1 1 383.448 3.812 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(F)cc3Br)C2)nc1 ZINC000533058132 889645979 /nfs/dbraw/zinc/64/59/79/889645979.db2.gz DNXAKSNBTGIDPN-CYBMUJFWSA-N 1 1 395.232 3.578 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(F)cc3Br)C2)nc1 ZINC000533058132 889645989 /nfs/dbraw/zinc/64/59/89/889645989.db2.gz DNXAKSNBTGIDPN-CYBMUJFWSA-N 1 1 395.232 3.578 20 5 GHBDMO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454762948 889707626 /nfs/dbraw/zinc/70/76/26/889707626.db2.gz GPCZSRIDZDFCML-ABSDTBQOSA-N 1 1 396.491 3.866 20 5 GHBDMO O=C(CCN1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533271190 890134735 /nfs/dbraw/zinc/13/47/35/890134735.db2.gz HMRONPPVTFSITO-GOSISDBHSA-N 1 1 388.512 3.511 20 5 GHBDMO COCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154169851 890174550 /nfs/dbraw/zinc/17/45/50/890174550.db2.gz BQTBVVMGVFLZNV-GOSISDBHSA-N 1 1 382.819 3.569 20 5 GHBDMO COCC[N@H+](Cc1ccc(F)cc1Cl)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154169851 890174561 /nfs/dbraw/zinc/17/45/61/890174561.db2.gz BQTBVVMGVFLZNV-GOSISDBHSA-N 1 1 382.819 3.569 20 5 GHBDMO Cc1ccccc1C[C@H]1CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000533418569 890509431 /nfs/dbraw/zinc/50/94/31/890509431.db2.gz QGRILGGUKHIIGJ-GOSISDBHSA-N 1 1 395.459 3.908 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812833094 891016540 /nfs/dbraw/zinc/01/65/40/891016540.db2.gz YIODCPLJQHNNEN-CQSZACIVSA-N 1 1 394.258 3.906 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850844 891042528 /nfs/dbraw/zinc/04/25/28/891042528.db2.gz WAVFEMJPVDJQAD-ORAYPTAESA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850844 891042544 /nfs/dbraw/zinc/04/25/44/891042544.db2.gz WAVFEMJPVDJQAD-ORAYPTAESA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850842 891043327 /nfs/dbraw/zinc/04/33/27/891043327.db2.gz WAVFEMJPVDJQAD-DJJJIMSYSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850842 891043339 /nfs/dbraw/zinc/04/33/39/891043339.db2.gz WAVFEMJPVDJQAD-DJJJIMSYSA-N 1 1 391.855 3.631 20 5 GHBDMO Cn1c(Cl)c(Cl)cc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171530 891332824 /nfs/dbraw/zinc/33/28/24/891332824.db2.gz XTVWXIXVLBDANI-ZDUSSCGKSA-N 1 1 398.246 3.671 20 5 GHBDMO Cn1c(Cl)c(Cl)cc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171530 891332834 /nfs/dbraw/zinc/33/28/34/891332834.db2.gz XTVWXIXVLBDANI-ZDUSSCGKSA-N 1 1 398.246 3.671 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000813173922 891333587 /nfs/dbraw/zinc/33/35/87/891333587.db2.gz MJYNDQPTXXPSLL-LZWOXQAQSA-N 1 1 386.370 3.691 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000813173922 891333604 /nfs/dbraw/zinc/33/36/04/891333604.db2.gz MJYNDQPTXXPSLL-LZWOXQAQSA-N 1 1 386.370 3.691 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000747839758 891339212 /nfs/dbraw/zinc/33/92/12/891339212.db2.gz DNGTXZUCCUXKRP-RHSMWYFYSA-N 1 1 393.484 3.729 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000747839758 891339230 /nfs/dbraw/zinc/33/92/30/891339230.db2.gz DNGTXZUCCUXKRP-RHSMWYFYSA-N 1 1 393.484 3.729 20 5 GHBDMO Cc1c([C@H](C)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000191839731 891562741 /nfs/dbraw/zinc/56/27/41/891562741.db2.gz KZNCRYHZHSLIFY-AZUAARDMSA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1c([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000191839731 891562753 /nfs/dbraw/zinc/56/27/53/891562753.db2.gz KZNCRYHZHSLIFY-AZUAARDMSA-N 1 1 383.492 3.845 20 5 GHBDMO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC000237404305 891647732 /nfs/dbraw/zinc/64/77/32/891647732.db2.gz QLSUAGQBJYPEKO-IAGOWNOFSA-N 1 1 387.480 3.834 20 5 GHBDMO Cc1ccc(NCCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH+]c1 ZINC000813470596 891669113 /nfs/dbraw/zinc/66/91/13/891669113.db2.gz NHUCMZBSPJZIHT-UHFFFAOYSA-N 1 1 383.235 3.837 20 5 GHBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000016554774 891957083 /nfs/dbraw/zinc/95/70/83/891957083.db2.gz LTJVQRFRTDJSKE-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000016554774 891957094 /nfs/dbraw/zinc/95/70/94/891957094.db2.gz LTJVQRFRTDJSKE-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)cc1 ZINC000814225763 892418157 /nfs/dbraw/zinc/41/81/57/892418157.db2.gz WPAADPOYDUYPEY-LJQANCHMSA-N 1 1 377.448 3.863 20 5 GHBDMO O=C(Nc1cc[nH+]c(N2CCCCC2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001134220900 892476658 /nfs/dbraw/zinc/47/66/58/892476658.db2.gz BZNCQAJNTOGJOW-UHFFFAOYSA-N 1 1 376.363 3.711 20 5 GHBDMO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000498012359 892948403 /nfs/dbraw/zinc/94/84/03/892948403.db2.gz NSJNTBWNZMPPRT-APWZRJJASA-N 1 1 397.475 3.901 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000815112239 893443304 /nfs/dbraw/zinc/44/33/04/893443304.db2.gz ZNULCCNZVNEIGF-SJORKVTESA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000815112239 893443315 /nfs/dbraw/zinc/44/33/15/893443315.db2.gz ZNULCCNZVNEIGF-SJORKVTESA-N 1 1 392.253 3.623 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498188724 893528824 /nfs/dbraw/zinc/52/88/24/893528824.db2.gz YAFOAUABWIYFDU-DOTOQJQBSA-N 1 1 390.443 3.708 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc4nsnc4c([N+](=O)[O-])c3)c2C1 ZINC000778252188 893702864 /nfs/dbraw/zinc/70/28/64/893702864.db2.gz AGAHNGXWSZBTRE-UHFFFAOYSA-N 1 1 383.433 3.577 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc4nsnc4c([N+](=O)[O-])c3)c2C1 ZINC000778252188 893702865 /nfs/dbraw/zinc/70/28/65/893702865.db2.gz AGAHNGXWSZBTRE-UHFFFAOYSA-N 1 1 383.433 3.577 20 5 GHBDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000563475140 893779621 /nfs/dbraw/zinc/77/96/21/893779621.db2.gz HFCCOKHVGMXLEH-KYJSFNMBSA-N 1 1 386.448 3.716 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2sccc2CC1(C)C ZINC000459582826 893812930 /nfs/dbraw/zinc/81/29/30/893812930.db2.gz NRMDTFHFJPAFBJ-UHFFFAOYSA-N 1 1 389.477 3.830 20 5 GHBDMO CCc1cc(NCC[N@@H+]2CCCC[C@@H]2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001185322875 913814455 /nfs/dbraw/zinc/81/44/55/913814455.db2.gz FPRHKLKULMVVMZ-SFHVURJKSA-N 1 1 383.496 3.713 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555880 893995300 /nfs/dbraw/zinc/99/53/00/893995300.db2.gz JNKHWWXAHSVBEA-IXDOHACOSA-N 1 1 398.507 3.637 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878105608 894021406 /nfs/dbraw/zinc/02/14/06/894021406.db2.gz ACVZYHCLXOGAKA-IAGOWNOFSA-N 1 1 399.495 3.731 20 5 GHBDMO C[C@@H]([NH2+][C@H](CCO)c1ccccc1Br)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615006 894048166 /nfs/dbraw/zinc/04/81/66/894048166.db2.gz GICXWWNIUKMQLX-BDJLRTHQSA-N 1 1 394.269 3.714 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459677510 894053375 /nfs/dbraw/zinc/05/33/75/894053375.db2.gz MAJQLEBROUCQTL-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459677510 894053395 /nfs/dbraw/zinc/05/33/95/894053395.db2.gz MAJQLEBROUCQTL-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO COc1cc(C[NH2+]Cc2cnc(C)o2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459681819 894059460 /nfs/dbraw/zinc/05/94/60/894059460.db2.gz XYHBBIRQJPLCRY-UHFFFAOYSA-N 1 1 383.404 3.769 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563759047 894154362 /nfs/dbraw/zinc/15/43/62/894154362.db2.gz VPEOIJRNWLETFG-UTKZUKDTSA-N 1 1 396.491 3.606 20 5 GHBDMO CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000563840357 894247523 /nfs/dbraw/zinc/24/75/23/894247523.db2.gz GRATYPKSHLNDQM-KBAYOESNSA-N 1 1 386.452 3.670 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000537240367 894637595 /nfs/dbraw/zinc/63/75/95/894637595.db2.gz ZUADHCHYYXGWCC-IBGZPJMESA-N 1 1 397.475 3.730 20 5 GHBDMO COc1ccc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000816456641 894821481 /nfs/dbraw/zinc/82/14/81/894821481.db2.gz LMKXVDYHFLGDLT-HNAYVOBHSA-N 1 1 384.432 3.671 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000564313316 894853735 /nfs/dbraw/zinc/85/37/35/894853735.db2.gz UJXRPGCHLLIRFV-HUCIYCNJSA-N 1 1 380.492 3.990 20 5 GHBDMO C[C@H]1C[C@@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000564526692 895054362 /nfs/dbraw/zinc/05/43/62/895054362.db2.gz FCXXBAJCMOFTRU-DTWKUNHWSA-N 1 1 380.317 3.681 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000138464803 895189567 /nfs/dbraw/zinc/18/95/67/895189567.db2.gz ZDSCIVMGKHTDRJ-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000138464803 895189578 /nfs/dbraw/zinc/18/95/78/895189578.db2.gz ZDSCIVMGKHTDRJ-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO O=C(C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)NCc1ccc(F)cc1 ZINC000564916819 895308972 /nfs/dbraw/zinc/30/89/72/895308972.db2.gz TZYIZEIRVYGXOF-GOSISDBHSA-N 1 1 385.439 3.652 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000817286216 895437369 /nfs/dbraw/zinc/43/73/69/895437369.db2.gz DIKMTHICLLGKLG-UHFFFAOYSA-N 1 1 379.432 3.709 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000565297922 895514527 /nfs/dbraw/zinc/51/45/27/895514527.db2.gz RYOUKQUKBNEHFN-PWIZWCRZSA-N 1 1 389.496 3.757 20 5 GHBDMO C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000565307921 895521638 /nfs/dbraw/zinc/52/16/38/895521638.db2.gz OZJMKYQNKVYJHQ-BTYIYWSLSA-N 1 1 385.439 3.618 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000565394219 895590475 /nfs/dbraw/zinc/59/04/75/895590475.db2.gz DIMWPFSHGNCCSD-IBGZPJMESA-N 1 1 396.491 3.784 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000566011179 896047323 /nfs/dbraw/zinc/04/73/23/896047323.db2.gz MBCCGXMZIATMCW-RHSMWYFYSA-N 1 1 387.867 3.889 20 5 GHBDMO O=[N+]([O-])c1cc2c(nc1N1CCC(c3[nH+]cc4n3CCCC4)CC1)CCCC2 ZINC000566148610 896143276 /nfs/dbraw/zinc/14/32/76/896143276.db2.gz JSFGBMRMTHANTI-UHFFFAOYSA-N 1 1 381.480 3.785 20 5 GHBDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819100976 896375583 /nfs/dbraw/zinc/37/55/83/896375583.db2.gz YCJTWJDKKXIAMD-JOCHJYFZSA-N 1 1 395.459 3.643 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000819323714 896568344 /nfs/dbraw/zinc/56/83/44/896568344.db2.gz PJJKXZMTKFNWPO-KNQAVFIVSA-N 1 1 383.492 3.520 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819323714 896568357 /nfs/dbraw/zinc/56/83/57/896568357.db2.gz PJJKXZMTKFNWPO-KNQAVFIVSA-N 1 1 383.492 3.520 20 5 GHBDMO CC1CC[NH+](c2ccc(NC[C@@H](O)COc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000819395741 896619343 /nfs/dbraw/zinc/61/93/43/896619343.db2.gz SWKJHEGWIDVQSI-LJQANCHMSA-N 1 1 385.464 3.683 20 5 GHBDMO COc1cccc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c1OC ZINC000883287866 897448972 /nfs/dbraw/zinc/44/89/72/897448972.db2.gz IWIHMYRAXLARRM-UHFFFAOYSA-N 1 1 381.226 3.664 20 5 GHBDMO CNc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000568336758 897755445 /nfs/dbraw/zinc/75/54/45/897755445.db2.gz DESOKHZUFXLGJA-GOSISDBHSA-N 1 1 396.491 3.669 20 5 GHBDMO COc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1SC ZINC000103070171 898065752 /nfs/dbraw/zinc/06/57/52/898065752.db2.gz YRHBXNQWYILFIZ-CQSZACIVSA-N 1 1 395.525 3.567 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3CN3CCCCC3)o2)c1 ZINC000104694528 898156772 /nfs/dbraw/zinc/15/67/72/898156772.db2.gz HJFOBULANQTYNN-IBGZPJMESA-N 1 1 384.480 3.743 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3CN3CCCCC3)o2)c1 ZINC000104694528 898156782 /nfs/dbraw/zinc/15/67/82/898156782.db2.gz HJFOBULANQTYNN-IBGZPJMESA-N 1 1 384.480 3.743 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc(OC)c1OCC(F)F ZINC000289709234 914307061 /nfs/dbraw/zinc/30/70/61/914307061.db2.gz LELSLSXOKVOXOB-UHFFFAOYSA-N 1 1 382.363 3.546 20 5 GHBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000824451435 899608708 /nfs/dbraw/zinc/60/87/08/899608708.db2.gz XBQGIQUKDUIUOP-CQSZACIVSA-N 1 1 387.461 3.597 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCC(O)CC3)CC2)ccc1Br ZINC000824522364 899658155 /nfs/dbraw/zinc/65/81/55/899658155.db2.gz VLJCERXDIVHYPS-UHFFFAOYSA-N 1 1 383.286 3.874 20 5 GHBDMO Cc1[nH+]ccn1CCCCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000778790532 899833803 /nfs/dbraw/zinc/83/38/03/899833803.db2.gz KCSPTZFIGGBFDX-UHFFFAOYSA-N 1 1 386.433 3.860 20 5 GHBDMO O=C1CC[C@@H](N2CC[NH+](Cc3c4ccccc4cc4ccccc43)CC2)CCN1 ZINC000825147815 900006104 /nfs/dbraw/zinc/00/61/04/900006104.db2.gz MZRMRNYBWPTBNE-OAQYLSRUSA-N 1 1 387.527 3.779 20 5 GHBDMO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000572428681 900184112 /nfs/dbraw/zinc/18/41/12/900184112.db2.gz IAVKGQYQZRZKJZ-GOSISDBHSA-N 1 1 381.476 3.653 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000574348027 900853867 /nfs/dbraw/zinc/85/38/67/900853867.db2.gz PLPBKNVWBUTXSF-RLFYNMQTSA-N 1 1 391.537 3.898 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158420372 901407845 /nfs/dbraw/zinc/40/78/45/901407845.db2.gz JJEHANRRUPGQJF-CABCVRRESA-N 1 1 379.526 3.898 20 5 GHBDMO Cn1cc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093442321 901547129 /nfs/dbraw/zinc/54/71/29/901547129.db2.gz KCOYVLVCGPERHE-FQEVSTJZSA-N 1 1 380.448 3.551 20 5 GHBDMO COCCCOC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000093561273 901555400 /nfs/dbraw/zinc/55/54/00/901555400.db2.gz BSGJPQATPOMYNK-UHFFFAOYSA-N 1 1 391.493 3.736 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000576224278 901835603 /nfs/dbraw/zinc/83/56/03/901835603.db2.gz IKBVYIUGFOPHSF-ZDUSSCGKSA-N 1 1 379.363 3.589 20 5 GHBDMO COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778943057 902042861 /nfs/dbraw/zinc/04/28/61/902042861.db2.gz OONHVPABIQUPKK-ZBFHGGJFSA-N 1 1 393.484 3.871 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778943057 902042868 /nfs/dbraw/zinc/04/28/68/902042868.db2.gz OONHVPABIQUPKK-ZBFHGGJFSA-N 1 1 393.484 3.871 20 5 GHBDMO CCC[N@@H+](C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000576536969 902081688 /nfs/dbraw/zinc/08/16/88/902081688.db2.gz KXJWDDPPTVWVQU-LJQANCHMSA-N 1 1 389.883 3.990 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000576773859 902251110 /nfs/dbraw/zinc/25/11/10/902251110.db2.gz RHXNCFRBDTXFSY-WMZOPIPTSA-N 1 1 381.476 3.652 20 5 GHBDMO COc1cccc(C2([NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)CCOCC2)c1F ZINC000576905507 902348322 /nfs/dbraw/zinc/34/83/22/902348322.db2.gz DSWCMNMUXKPFFB-UHFFFAOYSA-N 1 1 390.411 3.547 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)nc2c1 ZINC000576910180 902352270 /nfs/dbraw/zinc/35/22/70/902352270.db2.gz ARWXEMNYTIQMRR-MSOLQXFVSA-N 1 1 392.459 3.690 20 5 GHBDMO C[C@@H](Nc1ccc(C(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000845813251 902417547 /nfs/dbraw/zinc/41/75/47/902417547.db2.gz BQBFCRFPGZKBHC-INMHGKMJSA-N 1 1 398.463 3.660 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778981753 902490023 /nfs/dbraw/zinc/49/00/23/902490023.db2.gz QLBVJHALEYLAGW-GJZGRUSLSA-N 1 1 393.484 3.729 20 5 GHBDMO Cc1cc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)on1 ZINC000048017968 902756326 /nfs/dbraw/zinc/75/63/26/902756326.db2.gz OGFSOQWZFJSOAI-UHFFFAOYSA-N 1 1 398.488 3.938 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cnoc1C1CC1 ZINC001147660830 903842620 /nfs/dbraw/zinc/84/26/20/903842620.db2.gz MCSPMJDZDLWTFX-UHFFFAOYSA-N 1 1 388.427 3.809 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1Cl ZINC000153354439 904355335 /nfs/dbraw/zinc/35/53/35/904355335.db2.gz BPBQPLKPTSPINM-OAHLLOKOSA-N 1 1 389.887 3.946 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1Cl ZINC000153354439 904355346 /nfs/dbraw/zinc/35/53/46/904355346.db2.gz BPBQPLKPTSPINM-OAHLLOKOSA-N 1 1 389.887 3.946 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000579226632 904441626 /nfs/dbraw/zinc/44/16/26/904441626.db2.gz WVVBMSASUBTQJR-QMMLZNLJSA-N 1 1 395.459 3.694 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000579226632 904441629 /nfs/dbraw/zinc/44/16/29/904441629.db2.gz WVVBMSASUBTQJR-QMMLZNLJSA-N 1 1 395.459 3.694 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@](C)(CC)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000173943999 905167205 /nfs/dbraw/zinc/16/72/05/905167205.db2.gz MWHBMVGILVWDRW-GOSISDBHSA-N 1 1 392.481 3.612 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000174033574 905190370 /nfs/dbraw/zinc/19/03/70/905190370.db2.gz KSMRFAQEXHETDC-AWEZNQCLSA-N 1 1 382.420 3.716 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000176268539 905802807 /nfs/dbraw/zinc/80/28/07/905802807.db2.gz DUKHUJAUUPLKGX-CYBMUJFWSA-N 1 1 389.839 3.894 20 5 GHBDMO COc1ccc(CC[N@@H+](C[C@@H](C)O)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172907991 905936367 /nfs/dbraw/zinc/93/63/67/905936367.db2.gz KDSAQVSMVOWSHM-DYESRHJHSA-N 1 1 398.503 3.776 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2nn(CC)cc21 ZINC001172908303 905936463 /nfs/dbraw/zinc/93/64/63/905936463.db2.gz NEEKGMLWQFVLIN-OALUTQOASA-N 1 1 398.507 3.695 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2nn(CC)cc21 ZINC001172908303 905936470 /nfs/dbraw/zinc/93/64/70/905936470.db2.gz NEEKGMLWQFVLIN-OALUTQOASA-N 1 1 398.507 3.695 20 5 GHBDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916826 905988867 /nfs/dbraw/zinc/98/88/67/905988867.db2.gz UDRUBZOODKVQOW-IEBWSBKVSA-N 1 1 389.496 3.783 20 5 GHBDMO COc1ccccc1C[N@@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012500 906090652 /nfs/dbraw/zinc/09/06/52/906090652.db2.gz FJLCUSSRQFBYSJ-UHFFFAOYSA-N 1 1 391.418 3.982 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@@H](c4ccccn4)C3)CC2)c(F)c1 ZINC001173018359 906095544 /nfs/dbraw/zinc/09/55/44/906095544.db2.gz RYAHOOBOPOMOFW-CQSZACIVSA-N 1 1 388.418 3.726 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCN(c3ccccc3C)CC2)c1F ZINC001173186475 906268531 /nfs/dbraw/zinc/26/85/31/906268531.db2.gz SATKFXWSYLZMAC-INIZCTEOSA-N 1 1 387.455 3.804 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)c1F ZINC001173188228 906269365 /nfs/dbraw/zinc/26/93/65/906269365.db2.gz DJSMVXGQHSKATI-INIZCTEOSA-N 1 1 399.466 3.634 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC3(CC[N@H+]3Cc3ccccc3)C2)c1F ZINC001173188228 906269377 /nfs/dbraw/zinc/26/93/77/906269377.db2.gz DJSMVXGQHSKATI-INIZCTEOSA-N 1 1 399.466 3.634 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1F ZINC001173191980 906275722 /nfs/dbraw/zinc/27/57/22/906275722.db2.gz GVDZRHZMJPNJJO-YESZJQIVSA-N 1 1 399.466 3.742 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001173222723 906301772 /nfs/dbraw/zinc/30/17/72/906301772.db2.gz UVNVNKAEBOIOIM-AYBZRNKSSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001173227285 906310487 /nfs/dbraw/zinc/31/04/87/906310487.db2.gz UMBPQOAZIUDTGX-OPAMFIHVSA-N 1 1 397.450 3.794 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001173238970 906350387 /nfs/dbraw/zinc/35/03/87/906350387.db2.gz YVPQJSSDKWMHBN-KXBFYZLASA-N 1 1 380.448 3.648 20 5 GHBDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000180631579 906804110 /nfs/dbraw/zinc/80/41/10/906804110.db2.gz RPNABDVNAKJTGG-INIZCTEOSA-N 1 1 396.451 3.802 20 5 GHBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000180631579 906804121 /nfs/dbraw/zinc/80/41/21/906804121.db2.gz RPNABDVNAKJTGG-INIZCTEOSA-N 1 1 396.451 3.802 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC4(CC3)OCc3ccccc34)o2)cc1 ZINC000366029891 921290237 /nfs/dbraw/zinc/29/02/37/921290237.db2.gz QOUFDTXAKHXNDD-UHFFFAOYSA-N 1 1 392.415 3.666 20 5 GHBDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccncc1 ZINC000191904554 907312766 /nfs/dbraw/zinc/31/27/66/907312766.db2.gz ZVNWLBUFCJAMEV-OAQYLSRUSA-N 1 1 395.415 3.818 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1OC ZINC001175882239 907789457 /nfs/dbraw/zinc/78/94/57/907789457.db2.gz FSIZVIWAKMXECE-SZMVWBNQSA-N 1 1 391.512 3.697 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000192694069 907845905 /nfs/dbraw/zinc/84/59/05/907845905.db2.gz DCNWOFBKKSBTPV-RTBURBONSA-N 1 1 383.496 3.611 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001176410539 908104789 /nfs/dbraw/zinc/10/47/89/908104789.db2.gz ALEOZWISJHXCFC-DZGCQCFKSA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001176410539 908104795 /nfs/dbraw/zinc/10/47/95/908104795.db2.gz ALEOZWISJHXCFC-DZGCQCFKSA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001176699131 908215061 /nfs/dbraw/zinc/21/50/61/908215061.db2.gz HBOFAJKJLRBGNH-DZGCQCFKSA-N 1 1 381.448 3.717 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H]([N@@H+](C)CC)C2)cc1OC ZINC001177051173 908382555 /nfs/dbraw/zinc/38/25/55/908382555.db2.gz TUNXFEZSRBVLRO-WBVHZDCISA-N 1 1 379.501 3.554 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001177709209 908725361 /nfs/dbraw/zinc/72/53/61/908725361.db2.gz ZTRCXXRNNLFSLP-MRXNPFEDSA-N 1 1 394.475 3.746 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)nc2c1 ZINC000192134905 908727896 /nfs/dbraw/zinc/72/78/96/908727896.db2.gz CCMLMKQQWQAGOL-KBXCAEBGSA-N 1 1 375.331 3.634 20 5 GHBDMO CC(C)(NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000194453284 908883458 /nfs/dbraw/zinc/88/34/58/908883458.db2.gz KBXWRVFFSVDILH-GOSISDBHSA-N 1 1 396.491 3.651 20 5 GHBDMO CN(C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000195436030 909007170 /nfs/dbraw/zinc/00/71/70/909007170.db2.gz IQTAZJBZBYVIKC-AWEZNQCLSA-N 1 1 381.448 3.813 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000195436030 909007191 /nfs/dbraw/zinc/00/71/91/909007191.db2.gz IQTAZJBZBYVIKC-AWEZNQCLSA-N 1 1 381.448 3.813 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H]3/C=C/c3ccccc3)n2)cc1 ZINC000779890409 909062982 /nfs/dbraw/zinc/06/29/82/909062982.db2.gz WMYNGKYLKSFBRN-UFUQCMIWSA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@@H]3/C=C/c3ccccc3)n2)cc1 ZINC000779890409 909062996 /nfs/dbraw/zinc/06/29/96/909062996.db2.gz WMYNGKYLKSFBRN-UFUQCMIWSA-N 1 1 375.432 3.989 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000718015377 909078075 /nfs/dbraw/zinc/07/80/75/909078075.db2.gz GMURLUIMKYHHKZ-GOSISDBHSA-N 1 1 387.867 3.889 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1C ZINC001179898398 909781928 /nfs/dbraw/zinc/78/19/28/909781928.db2.gz MTXFVISRSPQCNF-QWRGUYRKSA-N 1 1 376.320 3.723 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)C1 ZINC000801821786 921522967 /nfs/dbraw/zinc/52/29/67/921522967.db2.gz DEYWWVSOAHGHIY-ZDUSSCGKSA-N 1 1 386.427 3.800 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001180430959 910135760 /nfs/dbraw/zinc/13/57/60/910135760.db2.gz OUWWPHGPNMIZBB-AABGKKOBSA-N 1 1 393.487 3.934 20 5 GHBDMO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[NH+]1CCCCCCC1 ZINC000795399017 910200299 /nfs/dbraw/zinc/20/02/99/910200299.db2.gz BEOXDPDJPWIDFI-UHFFFAOYSA-N 1 1 382.258 3.537 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]1COC(=O)[C@@H]1C ZINC001182080576 911176755 /nfs/dbraw/zinc/17/67/55/911176755.db2.gz AMUOOAPIXOLUGL-CXAGYDPISA-N 1 1 377.444 3.510 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000274129615 911234778 /nfs/dbraw/zinc/23/47/78/911234778.db2.gz DVGKHSRBLZSNKZ-UGSOOPFHSA-N 1 1 389.402 3.513 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c1F ZINC000284218893 911794203 /nfs/dbraw/zinc/79/42/03/911794203.db2.gz NNRZWHVFFOITCJ-UHFFFAOYSA-N 1 1 378.429 3.518 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1F ZINC000284218893 911794250 /nfs/dbraw/zinc/79/42/50/911794250.db2.gz NNRZWHVFFOITCJ-UHFFFAOYSA-N 1 1 378.429 3.518 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001187006730 914935750 /nfs/dbraw/zinc/93/57/50/914935750.db2.gz BGLJNMNUQNHTKJ-LBPRGKRZSA-N 1 1 393.285 3.612 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)c1 ZINC000796361757 914994747 /nfs/dbraw/zinc/99/47/47/914994747.db2.gz HQTYMLGCIUCLPP-XZOQPEGZSA-N 1 1 392.455 3.864 20 5 GHBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1 ZINC000360810491 916328964 /nfs/dbraw/zinc/32/89/64/916328964.db2.gz PCGABZCMLJLBRV-CRAIPNDOSA-N 1 1 385.489 3.814 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000293845122 916417621 /nfs/dbraw/zinc/41/76/21/916417621.db2.gz QVDKQRIKFFZEFE-LBPRGKRZSA-N 1 1 395.385 3.920 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000293845122 916417628 /nfs/dbraw/zinc/41/76/28/916417628.db2.gz QVDKQRIKFFZEFE-LBPRGKRZSA-N 1 1 395.385 3.920 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](O)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000294021066 916532487 /nfs/dbraw/zinc/53/24/87/916532487.db2.gz NNFAZIZVSAFHMP-IBGZPJMESA-N 1 1 386.448 3.529 20 5 GHBDMO O=[N+]([O-])c1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000796442420 917331104 /nfs/dbraw/zinc/33/11/04/917331104.db2.gz FZTGOBVOGUEWEX-OAQYLSRUSA-N 1 1 396.447 3.601 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007406354 919205701 /nfs/dbraw/zinc/20/57/01/919205701.db2.gz ZKCAACDCCQKIGZ-INIZCTEOSA-N 1 1 377.828 3.798 20 5 GHBDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335495 919538102 /nfs/dbraw/zinc/53/81/02/919538102.db2.gz TXNIZOYJQKMJOA-OAHLLOKOSA-N 1 1 387.461 3.964 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)nc1 ZINC000118866960 919596589 /nfs/dbraw/zinc/59/65/89/919596589.db2.gz GQIHUICJJRLDHB-CQSZACIVSA-N 1 1 383.839 3.878 20 5 GHBDMO C[C@@H](OC(=O)CC[C@H]1CCCC[N@H+]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000803856297 923320203 /nfs/dbraw/zinc/32/02/03/923320203.db2.gz PDPZVXALFSRGFW-UKRRQHHQSA-N 1 1 388.424 3.514 20 5 GHBDMO CCOc1c(Cl)cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC ZINC000369683840 923541051 /nfs/dbraw/zinc/54/10/51/923541051.db2.gz PRINRKGNHDMOMC-UHFFFAOYSA-N 1 1 394.859 3.689 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370035537 923816688 /nfs/dbraw/zinc/81/66/88/923816688.db2.gz FPMSXSKAOMANQJ-OAHLLOKOSA-N 1 1 382.468 3.639 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370035537 923816694 /nfs/dbraw/zinc/81/66/94/923816694.db2.gz FPMSXSKAOMANQJ-OAHLLOKOSA-N 1 1 382.468 3.639 20 5 GHBDMO CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCCC1 ZINC000827236952 925085980 /nfs/dbraw/zinc/08/59/80/925085980.db2.gz IOZAQGABAPOHBT-UHFFFAOYSA-N 1 1 395.308 3.739 20 5 GHBDMO CC(C)Oc1cc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000411504223 926461475 /nfs/dbraw/zinc/46/14/75/926461475.db2.gz YTJUXQIDKDXVOX-SOLBZPMBSA-N 1 1 389.496 3.859 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000726599714 926754157 /nfs/dbraw/zinc/75/41/57/926754157.db2.gz KCXXVKOKUPWIBT-GOEBONIOSA-N 1 1 393.484 3.871 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000726599714 926754166 /nfs/dbraw/zinc/75/41/66/926754166.db2.gz KCXXVKOKUPWIBT-GOEBONIOSA-N 1 1 393.484 3.871 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C2CC2)C1 ZINC000749490356 927139097 /nfs/dbraw/zinc/13/90/97/927139097.db2.gz KBRGRHLPQOLENC-MRXNPFEDSA-N 1 1 379.432 3.708 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C2CC2)C1 ZINC000749490356 927139100 /nfs/dbraw/zinc/13/91/00/927139100.db2.gz KBRGRHLPQOLENC-MRXNPFEDSA-N 1 1 379.432 3.708 20 5 GHBDMO O=C([C@@H]1CC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2)N1CCCCC1 ZINC000374515526 927228599 /nfs/dbraw/zinc/22/85/99/927228599.db2.gz VHQJDLKERMZLJY-KRWDZBQOSA-N 1 1 391.899 3.863 20 5 GHBDMO CCOc1ccc([C@H]2CCC[N@@H+]2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1 ZINC000749937248 927358920 /nfs/dbraw/zinc/35/89/20/927358920.db2.gz LBLDDSJZHQNBLY-LJQANCHMSA-N 1 1 381.436 3.841 20 5 GHBDMO CCOc1ccc([C@H]2CCC[N@H+]2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1 ZINC000749937248 927358936 /nfs/dbraw/zinc/35/89/36/927358936.db2.gz LBLDDSJZHQNBLY-LJQANCHMSA-N 1 1 381.436 3.841 20 5 GHBDMO CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000750050961 927406810 /nfs/dbraw/zinc/40/68/10/927406810.db2.gz FUWQEISICVBJNQ-WTOYTKOKSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000750050961 927406816 /nfs/dbraw/zinc/40/68/16/927406816.db2.gz FUWQEISICVBJNQ-WTOYTKOKSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000750050961 927406826 /nfs/dbraw/zinc/40/68/26/927406826.db2.gz FUWQEISICVBJNQ-WTOYTKOKSA-N 1 1 383.492 3.786 20 5 GHBDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374784059 927517480 /nfs/dbraw/zinc/51/74/80/927517480.db2.gz WDJDPPZHBOYTEA-QNBRMCRTSA-N 1 1 393.447 3.894 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCCc3c2cnn3CCO)c2ccccc2)c1 ZINC000374917420 927698206 /nfs/dbraw/zinc/69/82/06/927698206.db2.gz YEJXVFNHTZDINZ-RBBKRZOGSA-N 1 1 392.459 3.540 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000375014066 927814482 /nfs/dbraw/zinc/81/44/82/927814482.db2.gz SHMBYWKBZDZHHD-PMPSAXMXSA-N 1 1 386.452 3.844 20 5 GHBDMO C[C@@H]1C[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000751034451 927992802 /nfs/dbraw/zinc/99/28/02/927992802.db2.gz AQTSGTXSURJLLK-CRAIPNDOSA-N 1 1 384.505 3.934 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H](OCCCc4ccccc4)C3)c2c1 ZINC000751958614 928510630 /nfs/dbraw/zinc/51/06/30/928510630.db2.gz IFRGJRKBXNZQKJ-HXUWFJFHSA-N 1 1 380.448 3.626 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H](OCCCc4ccccc4)C3)c2c1 ZINC000751958614 928510640 /nfs/dbraw/zinc/51/06/40/928510640.db2.gz IFRGJRKBXNZQKJ-HXUWFJFHSA-N 1 1 380.448 3.626 20 5 GHBDMO COCC[C@H]1CCCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000467268034 928896035 /nfs/dbraw/zinc/89/60/35/928896035.db2.gz IBDRYSMNGUKDFH-CYBMUJFWSA-N 1 1 388.411 3.843 20 5 GHBDMO CC(C)[N@@H+](Cc1cccc(F)c1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752788270 929023326 /nfs/dbraw/zinc/02/33/26/929023326.db2.gz GBJRIYWCJJYYPB-UHFFFAOYSA-N 1 1 386.427 3.844 20 5 GHBDMO CC(C)[N@H+](Cc1cccc(F)c1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752788270 929023337 /nfs/dbraw/zinc/02/33/37/929023337.db2.gz GBJRIYWCJJYYPB-UHFFFAOYSA-N 1 1 386.427 3.844 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000753920929 929593236 /nfs/dbraw/zinc/59/32/36/929593236.db2.gz MCJVOIBXEIPFDM-INIZCTEOSA-N 1 1 389.402 3.909 20 5 GHBDMO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000546586371 930279111 /nfs/dbraw/zinc/27/91/11/930279111.db2.gz HCPBHCTVJJPLPA-SFHVURJKSA-N 1 1 389.452 3.778 20 5 GHBDMO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000546586371 930279113 /nfs/dbraw/zinc/27/91/13/930279113.db2.gz HCPBHCTVJJPLPA-SFHVURJKSA-N 1 1 389.452 3.778 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000470177124 930434481 /nfs/dbraw/zinc/43/44/81/930434481.db2.gz PRTWTUCJAPUECY-SDXDJHTJSA-N 1 1 379.460 3.846 20 5 GHBDMO Cc1cccc(OCCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000780762449 930593239 /nfs/dbraw/zinc/59/32/39/930593239.db2.gz IBRYQGGDSDCNLZ-HXUWFJFHSA-N 1 1 380.448 3.785 20 5 GHBDMO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780769045 930594540 /nfs/dbraw/zinc/59/45/40/930594540.db2.gz WNFWDVHPXSQFFW-VOBQZIQPSA-N 1 1 398.438 3.659 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782484116 931237570 /nfs/dbraw/zinc/23/75/70/931237570.db2.gz CKVRBQKPPKONBL-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782484116 931237577 /nfs/dbraw/zinc/23/75/77/931237577.db2.gz CKVRBQKPPKONBL-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000782955973 931375270 /nfs/dbraw/zinc/37/52/70/931375270.db2.gz SWFFYYANTXMPLO-LPHOPBHVSA-N 1 1 377.448 3.997 20 5 GHBDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)c1 ZINC000784029678 931760561 /nfs/dbraw/zinc/76/05/61/931760561.db2.gz NFJJPSQEXIZNTD-GOSISDBHSA-N 1 1 377.448 3.917 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(OC)nc3OC)o2)c([N+](=O)[O-])c1 ZINC000558492026 932033075 /nfs/dbraw/zinc/03/30/75/932033075.db2.gz MFDXKDXOPVAZRH-UHFFFAOYSA-N 1 1 399.403 3.565 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)cc1 ZINC000558606575 932104898 /nfs/dbraw/zinc/10/48/98/932104898.db2.gz QKFUMFVIEMTMMQ-SFHVURJKSA-N 1 1 397.475 3.805 20 5 GHBDMO Cc1c(C[NH2+][C@H](C)c2cnccc2NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000796964518 932125563 /nfs/dbraw/zinc/12/55/63/932125563.db2.gz GAGOADZYNRXCDC-CQSZACIVSA-N 1 1 386.452 3.918 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000558859793 932278385 /nfs/dbraw/zinc/27/83/85/932278385.db2.gz GLDRCIDHJJTSJI-UHFFFAOYSA-N 1 1 383.839 3.994 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000558859793 932278391 /nfs/dbraw/zinc/27/83/91/932278391.db2.gz GLDRCIDHJJTSJI-UHFFFAOYSA-N 1 1 383.839 3.994 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798479108 932661984 /nfs/dbraw/zinc/66/19/84/932661984.db2.gz LWXOQFNWGGDAKY-NRFANRHFSA-N 1 1 382.464 3.937 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798483915 932666673 /nfs/dbraw/zinc/66/66/73/932666673.db2.gz NPKLQMAAWRVVDG-NRFANRHFSA-N 1 1 398.463 3.637 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000798526775 932691151 /nfs/dbraw/zinc/69/11/51/932691151.db2.gz URIGGDFKONMSKK-QFIPXVFZSA-N 1 1 397.475 3.636 20 5 GHBDMO C[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCN(Cc2ccccc2)C1 ZINC000798934745 932824518 /nfs/dbraw/zinc/82/45/18/932824518.db2.gz HZSMDZNYJXSVQZ-TUNNFDKTSA-N 1 1 397.523 3.777 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000799155725 932890352 /nfs/dbraw/zinc/89/03/52/932890352.db2.gz JVUBEPNLUJJAAN-ZYUBPSHWSA-N 1 1 392.887 3.817 20 5 GHBDMO CN(CCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000560518615 933307911 /nfs/dbraw/zinc/30/79/11/933307911.db2.gz HTVWRBXVKGQZLI-HXUWFJFHSA-N 1 1 397.454 3.673 20 5 GHBDMO COc1cc(C[N@H+](Cc2ccccc2)[C@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC001116161239 933371680 /nfs/dbraw/zinc/37/16/80/933371680.db2.gz KKPMNIVDADUEON-CYBMUJFWSA-N 1 1 396.390 3.588 20 5 GHBDMO COc1cc(C[N@@H+](Cc2ccccc2)[C@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC001116161239 933371688 /nfs/dbraw/zinc/37/16/88/933371688.db2.gz KKPMNIVDADUEON-CYBMUJFWSA-N 1 1 396.390 3.588 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC001116377996 933520112 /nfs/dbraw/zinc/52/01/12/933520112.db2.gz VJNMDKUEDPJKDS-SJORKVTESA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC001116377996 933520119 /nfs/dbraw/zinc/52/01/19/933520119.db2.gz VJNMDKUEDPJKDS-SJORKVTESA-N 1 1 392.818 3.954 20 5 GHBDMO Cc1noc(C2(C)CC[NH+](Cc3ccc([N+](=O)[O-])cc3Br)CC2)n1 ZINC001116651707 933683242 /nfs/dbraw/zinc/68/32/42/933683242.db2.gz RRSIBXWZTYEMAN-UHFFFAOYSA-N 1 1 395.257 3.602 20 5 GHBDMO CCCC[N@@H+](C)CC1CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777955726 934372607 /nfs/dbraw/zinc/37/26/07/934372607.db2.gz REKIBCUNUDEUNK-UHFFFAOYSA-N 1 1 385.512 3.860 20 5 GHBDMO CCCC[N@H+](C)CC1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777955726 934372615 /nfs/dbraw/zinc/37/26/15/934372615.db2.gz REKIBCUNUDEUNK-UHFFFAOYSA-N 1 1 385.512 3.860 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777955726 934372625 /nfs/dbraw/zinc/37/26/25/934372625.db2.gz REKIBCUNUDEUNK-UHFFFAOYSA-N 1 1 385.512 3.860 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777957062 934384727 /nfs/dbraw/zinc/38/47/27/934384727.db2.gz OZQSNTRSPJAHNS-KRWDZBQOSA-N 1 1 378.432 3.914 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@@H]1c1ccc(F)cc1 ZINC001137563852 935588582 /nfs/dbraw/zinc/58/85/82/935588582.db2.gz AKZROMWKFUWOQH-PMACEKPBSA-N 1 1 397.450 3.717 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@@H]1c1ccc(F)cc1 ZINC001137563852 935588593 /nfs/dbraw/zinc/58/85/93/935588593.db2.gz AKZROMWKFUWOQH-PMACEKPBSA-N 1 1 397.450 3.717 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)CCC(F)(F)F ZINC000830401943 935940625 /nfs/dbraw/zinc/94/06/25/935940625.db2.gz DOOAKAMWFDFNDT-UHFFFAOYSA-N 1 1 381.782 3.561 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000787813222 1014923089 /nfs/dbraw/zinc/92/30/89/1014923089.db2.gz UJNOJYWBOOSJTH-CZUORRHYSA-N 1 1 388.855 3.890 20 5 GHBDMO Cn1cc(Br)cc1C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000468100571 1015264603 /nfs/dbraw/zinc/26/46/03/1015264603.db2.gz LQHSFEIYXGQLJQ-UHFFFAOYSA-N 1 1 382.258 3.597 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000468742485 1015983382 /nfs/dbraw/zinc/98/33/82/1015983382.db2.gz BWXYHQIYUHHKHH-NRFGWYQLSA-N 1 1 394.475 3.560 20 5 GHBDMO COc1ccc(OC)c(C[N@@H+](CCO)C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000470179898 1016744418 /nfs/dbraw/zinc/74/44/18/1016744418.db2.gz FCUZOKQFOPVGIG-WJDWOHSUSA-N 1 1 386.448 3.510 20 5 GHBDMO CCc1nc(CN2CC[NH+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000470180106 1016744998 /nfs/dbraw/zinc/74/49/98/1016744998.db2.gz IDFGFVFYWFZFSC-LFIBNONCSA-N 1 1 386.521 3.835 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001227048250 1032252387 /nfs/dbraw/zinc/25/23/87/1032252387.db2.gz IOBQNLVMDBQESL-CMKODMSKSA-N 1 1 396.443 3.671 20 5 GHBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000557919371 1017072320 /nfs/dbraw/zinc/07/23/20/1017072320.db2.gz CYXXNZCLUGMFTI-MRXNPFEDSA-N 1 1 385.489 3.912 20 5 GHBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000557919371 1017072342 /nfs/dbraw/zinc/07/23/42/1017072342.db2.gz CYXXNZCLUGMFTI-MRXNPFEDSA-N 1 1 385.489 3.912 20 5 GHBDMO Cc1ccc(N2CCC[C@H](Oc3nc(C(F)(F)F)ccc3[N+](=O)[O-])C2)[nH+]c1 ZINC001227246692 1032341468 /nfs/dbraw/zinc/34/14/68/1032341468.db2.gz LMXUHBXTEUISFO-LBPRGKRZSA-N 1 1 382.342 3.760 20 5 GHBDMO Cc1nc(Cl)nc(O[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001227333984 1032378480 /nfs/dbraw/zinc/37/84/80/1032378480.db2.gz AQAPBOYVCGCRDS-DOMZBBRYSA-N 1 1 376.844 3.636 20 5 GHBDMO Cc1nc(Cl)nc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001227336345 1032379809 /nfs/dbraw/zinc/37/98/09/1032379809.db2.gz BMLLLWQFTLEMMJ-ZDUSSCGKSA-N 1 1 383.235 3.653 20 5 GHBDMO Cc1nc(Cl)nc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001227336345 1032379826 /nfs/dbraw/zinc/37/98/26/1032379826.db2.gz BMLLLWQFTLEMMJ-ZDUSSCGKSA-N 1 1 383.235 3.653 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227371617 1032393417 /nfs/dbraw/zinc/39/34/17/1032393417.db2.gz SDYXWVUFGILFMS-CQSZACIVSA-N 1 1 384.823 3.845 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001155091413 1032410308 /nfs/dbraw/zinc/41/03/08/1032410308.db2.gz KNDICOMCVNMHNQ-OAHLLOKOSA-N 1 1 379.247 3.716 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001155091413 1032410311 /nfs/dbraw/zinc/41/03/11/1032410311.db2.gz KNDICOMCVNMHNQ-OAHLLOKOSA-N 1 1 379.247 3.716 20 5 GHBDMO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000559072331 1017357138 /nfs/dbraw/zinc/35/71/38/1017357138.db2.gz DYHVYATWDLANNP-UHFFFAOYSA-N 1 1 398.415 3.811 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932800811 1018676268 /nfs/dbraw/zinc/67/62/68/1018676268.db2.gz MHCYAJCNLYRJDF-HRQSHJORSA-N 1 1 385.508 3.811 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000562847776 1018705167 /nfs/dbraw/zinc/70/51/67/1018705167.db2.gz NXJAOEOHUJKEOE-RBBKRZOGSA-N 1 1 395.503 3.549 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000562847776 1018705183 /nfs/dbraw/zinc/70/51/83/1018705183.db2.gz NXJAOEOHUJKEOE-RBBKRZOGSA-N 1 1 395.503 3.549 20 5 GHBDMO Cc1ccnc([C@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)c1 ZINC000571817434 1019713795 /nfs/dbraw/zinc/71/37/95/1019713795.db2.gz IAIREAFKRMBDAJ-KRWDZBQOSA-N 1 1 378.432 3.985 20 5 GHBDMO O=C(C[N@@H+]1CCC2(CCC2)C1)Nc1cc(N2CCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000156869122 1019753180 /nfs/dbraw/zinc/75/31/80/1019753180.db2.gz LIWPBWBJCJYIAO-UHFFFAOYSA-N 1 1 398.507 3.790 20 5 GHBDMO O=C(C[N@H+]1CCC2(CCC2)C1)Nc1cc(N2CCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000156869122 1019753195 /nfs/dbraw/zinc/75/31/95/1019753195.db2.gz LIWPBWBJCJYIAO-UHFFFAOYSA-N 1 1 398.507 3.790 20 5 GHBDMO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2cccnc21 ZINC000577563979 1020245121 /nfs/dbraw/zinc/24/51/21/1020245121.db2.gz LUMRLCOPBBOQAX-SFHVURJKSA-N 1 1 393.443 3.813 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000749074648 1021742194 /nfs/dbraw/zinc/74/21/94/1021742194.db2.gz RBGOIAGQVCMNFG-GHTZIAJQSA-N 1 1 379.460 3.589 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001229059106 1033254464 /nfs/dbraw/zinc/25/44/64/1033254464.db2.gz IYHRNBZYNSQZCU-DZFIZOCASA-N 1 1 396.443 3.956 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001229059107 1033255154 /nfs/dbraw/zinc/25/51/54/1033255154.db2.gz IYHRNBZYNSQZCU-IZZQQSIFSA-N 1 1 396.443 3.956 20 5 GHBDMO COC(=O)c1c(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC001229050151 1033250502 /nfs/dbraw/zinc/25/05/02/1033250502.db2.gz WIXWCGQIFNPEJB-LFUKPOHLSA-N 1 1 396.443 3.671 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(NCC[N@H+]3CCc4sccc4C3)c2c1 ZINC001162267825 1025697814 /nfs/dbraw/zinc/69/78/14/1025697814.db2.gz WNDLVEZXLGLWFY-UHFFFAOYSA-N 1 1 389.868 3.723 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3CSCC[N@H+]3Cc3ccccc3)nc2c1 ZINC001163037513 1026021194 /nfs/dbraw/zinc/02/11/94/1026021194.db2.gz UFGIAIPSJLGIBN-INIZCTEOSA-N 1 1 383.477 3.501 20 5 GHBDMO C[N@H+]1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC001163669442 1026274676 /nfs/dbraw/zinc/27/46/76/1026274676.db2.gz QQTFHYCIJHSSLP-QGZVFWFLSA-N 1 1 383.839 3.685 20 5 GHBDMO C[N@H+]1CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@@H](c2ccccc2)C1 ZINC001163674819 1026278856 /nfs/dbraw/zinc/27/88/56/1026278856.db2.gz SEPWYUCTKSSUEZ-HXUWFJFHSA-N 1 1 375.432 3.545 20 5 GHBDMO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3c4ccccc4cc4ccccc43)C[C@H]21 ZINC001141724552 1026347993 /nfs/dbraw/zinc/34/79/93/1026347993.db2.gz JWYXHJCUMJINTL-YFNKSVMNSA-N 1 1 388.511 3.966 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cn21 ZINC001164493663 1026532033 /nfs/dbraw/zinc/53/20/33/1026532033.db2.gz VRCFUKUFSJVCRY-YTQUADARSA-N 1 1 377.448 3.565 20 5 GHBDMO O=[N+]([O-])c1cnc2cccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)n21 ZINC001164498763 1026534534 /nfs/dbraw/zinc/53/45/34/1026534534.db2.gz GXQXOCQJKGUYNS-FGTMMUONSA-N 1 1 377.448 3.565 20 5 GHBDMO CC[N@@H+]([C@H]1CCOC1)C1CCN(c2ccc3ccc4cccnc4c3n2)CC1 ZINC001165107036 1026609643 /nfs/dbraw/zinc/60/96/43/1026609643.db2.gz DCEPUEDUQVWGAV-FQEVSTJZSA-N 1 1 376.504 3.863 20 5 GHBDMO CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001142068707 1028022797 /nfs/dbraw/zinc/02/27/97/1028022797.db2.gz IZJQRIKAEIZPOB-LPHOPBHVSA-N 1 1 399.466 3.960 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001461526111 1069592061 /nfs/dbraw/zinc/59/20/61/1069592061.db2.gz ACIUFVKIHBMFKW-INIZCTEOSA-N 1 1 383.448 3.990 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001142775924 1029434867 /nfs/dbraw/zinc/43/48/67/1029434867.db2.gz WUGDMZZUEAZOMK-MBNYWOFBSA-N 1 1 383.851 3.865 20 5 GHBDMO Cc1nn(C[NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000842633298 1029438859 /nfs/dbraw/zinc/43/88/59/1029438859.db2.gz UGKGCZPDXIXFPQ-UHFFFAOYSA-N 1 1 388.468 3.654 20 5 GHBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842830121 1029616458 /nfs/dbraw/zinc/61/64/58/1029616458.db2.gz KTWPBJDCONOLHX-OAHLLOKOSA-N 1 1 396.509 3.611 20 5 GHBDMO CCc1cccnc1-c1noc(-c2cc(-n3cc[nH+]c3C)ccc2[N+](=O)[O-])n1 ZINC001216552445 1029683635 /nfs/dbraw/zinc/68/36/35/1029683635.db2.gz BQHVHGARHDKBTG-UHFFFAOYSA-N 1 1 376.376 3.763 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)CCC(=O)N(C)C ZINC001143052737 1029816141 /nfs/dbraw/zinc/81/61/41/1029816141.db2.gz QFTACTUDDNHFRU-UHFFFAOYSA-N 1 1 378.476 3.569 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001149759395 1030293744 /nfs/dbraw/zinc/29/37/44/1030293744.db2.gz PEDIDPHPBQEQGF-ROUUACIJSA-N 1 1 397.500 3.806 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001149759395 1030293752 /nfs/dbraw/zinc/29/37/52/1030293752.db2.gz PEDIDPHPBQEQGF-ROUUACIJSA-N 1 1 397.500 3.806 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nnc(-c2cccc(Br)c2)o1 ZINC001217714173 1030623956 /nfs/dbraw/zinc/62/39/56/1030623956.db2.gz DJZOYBJZARQPFE-CQSZACIVSA-N 1 1 389.209 3.650 20 5 GHBDMO O=[N+]([O-])c1ccc(CO[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001224102542 1030886181 /nfs/dbraw/zinc/88/61/81/1030886181.db2.gz ZFOSULJEZABZQW-QGZVFWFLSA-N 1 1 391.811 3.948 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC001152419815 1031232759 /nfs/dbraw/zinc/23/27/59/1031232759.db2.gz ULDKLVNOQGWYJX-WBVHZDCISA-N 1 1 385.439 3.537 20 5 GHBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc4oc5ccccc5c(=O)c4c3)CC2)c1 ZINC001153420164 1031582718 /nfs/dbraw/zinc/58/27/18/1031582718.db2.gz SMSYDJCBLVMFBK-UHFFFAOYSA-N 1 1 399.450 3.612 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225888477 1031676605 /nfs/dbraw/zinc/67/66/05/1031676605.db2.gz BXIAVFKIHGERIS-ACJLOTCBSA-N 1 1 389.383 3.932 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)c1cc2n(n1)CCO2 ZINC001153889276 1031793098 /nfs/dbraw/zinc/79/30/98/1031793098.db2.gz KUAKKEFVWPENNY-UHFFFAOYSA-N 1 1 387.443 3.604 20 5 GHBDMO COc1cc(C)nc(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC001157066143 1033398212 /nfs/dbraw/zinc/39/82/12/1033398212.db2.gz CCAXKJAOGVVIHM-UHFFFAOYSA-N 1 1 388.443 3.547 20 5 GHBDMO C[C@H]1C[C@@H](Oc2nc3ccc(NC(=O)C[NH+](C)C)cc3c3ccccc32)CCO1 ZINC001229808920 1033732424 /nfs/dbraw/zinc/73/24/24/1033732424.db2.gz VTTLVVSQXXHRRR-RDJZCZTQSA-N 1 1 393.487 3.834 20 5 GHBDMO CCOc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001207130567 1034116285 /nfs/dbraw/zinc/11/62/85/1034116285.db2.gz URGBSYISAGGUBZ-UHFFFAOYSA-N 1 1 398.463 3.733 20 5 GHBDMO CCOc1cc(NC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001207138081 1034120902 /nfs/dbraw/zinc/12/09/02/1034120902.db2.gz QRDHWTTYMIAKOE-NRFANRHFSA-N 1 1 398.463 3.780 20 5 GHBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(-c4cccc([N+](=O)[O-])c4)cc3)C[C@H]1[N@H+]2C ZINC001230941259 1034299383 /nfs/dbraw/zinc/29/93/83/1034299383.db2.gz OFQBAPXUJVTNCF-VXSCBNMQSA-N 1 1 396.443 3.807 20 5 GHBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC001231235481 1034474831 /nfs/dbraw/zinc/47/48/31/1034474831.db2.gz ZSMSAJPWRDCHGP-URLYPYJESA-N 1 1 375.303 3.526 20 5 GHBDMO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@]4(C[C@@H](OCC5CC5)CO4)C3)nc12 ZINC001232221910 1035170002 /nfs/dbraw/zinc/17/00/02/1035170002.db2.gz MIEKOOVDMWCEPO-QPPBQGQZSA-N 1 1 389.499 3.943 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246619240 1037509423 /nfs/dbraw/zinc/50/94/23/1037509423.db2.gz JXFARIUFYVGSPR-IFMALSPDSA-N 1 1 377.488 3.531 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246619240 1037509445 /nfs/dbraw/zinc/50/94/45/1037509445.db2.gz JXFARIUFYVGSPR-IFMALSPDSA-N 1 1 377.488 3.531 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246669858 1037536819 /nfs/dbraw/zinc/53/68/19/1037536819.db2.gz ACECSDBWEAJCAP-JZWVFAODSA-N 1 1 379.504 3.779 20 5 GHBDMO CCOc1cc(-c2nc3ccccc3n2CC2CC[NH2+]CC2)cc([N+](=O)[O-])c1O ZINC001247025249 1037846400 /nfs/dbraw/zinc/84/64/00/1037846400.db2.gz SXTBFUJKHMTHFP-UHFFFAOYSA-N 1 1 396.447 3.715 20 5 GHBDMO COc1c(Cl)ccc(-c2noc([C@@H]([NH3+])Cc3ccccc3[N+](=O)[O-])n2)c1F ZINC001247667448 1038303767 /nfs/dbraw/zinc/30/37/67/1038303767.db2.gz WJDNMWMFLSUVQO-LBPRGKRZSA-N 1 1 392.774 3.688 20 5 GHBDMO Cc1cc[nH+]c(N2CCC(Oc3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)c1 ZINC001233750509 1039588940 /nfs/dbraw/zinc/58/89/40/1039588940.db2.gz LRUKPKDZOPRDNZ-UHFFFAOYSA-N 1 1 382.342 3.760 20 5 GHBDMO C[C@@H](Oc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234674341 1040206451 /nfs/dbraw/zinc/20/64/51/1040206451.db2.gz NRKZLVNWWIQGLC-IERDGZPVSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@@H](Oc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234674341 1040206461 /nfs/dbraw/zinc/20/64/61/1040206461.db2.gz NRKZLVNWWIQGLC-IERDGZPVSA-N 1 1 393.443 3.811 20 5 GHBDMO CC(C)C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C ZINC001254466144 1040252434 /nfs/dbraw/zinc/25/24/34/1040252434.db2.gz UZMPQPQUXCPZAN-IBGZPJMESA-N 1 1 391.512 3.910 20 5 GHBDMO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479767 1040266911 /nfs/dbraw/zinc/26/69/11/1040266911.db2.gz KRTVSWPSKUHQHB-VXKWHMMOSA-N 1 1 386.540 3.902 20 5 GHBDMO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479767 1040266916 /nfs/dbraw/zinc/26/69/16/1040266916.db2.gz KRTVSWPSKUHQHB-VXKWHMMOSA-N 1 1 386.540 3.902 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001254550260 1040317376 /nfs/dbraw/zinc/31/73/76/1040317376.db2.gz GVJHZAMTWFEDAZ-CQSZACIVSA-N 1 1 394.397 3.762 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC001254551881 1040318902 /nfs/dbraw/zinc/31/89/02/1040318902.db2.gz GXGASCSEOZUDBC-OAHLLOKOSA-N 1 1 382.489 3.958 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001254552295 1040320866 /nfs/dbraw/zinc/32/08/66/1040320866.db2.gz KCGKYNPRDZSLCH-CVEARBPZSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001254553061 1040320990 /nfs/dbraw/zinc/32/09/90/1040320990.db2.gz RJIJUUHPTZOFHB-JLSDUUJJSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001254553061 1040321009 /nfs/dbraw/zinc/32/10/09/1040321009.db2.gz RJIJUUHPTZOFHB-JLSDUUJJSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001254558252 1040327433 /nfs/dbraw/zinc/32/74/33/1040327433.db2.gz UBWSEGCAZJUWBC-PBEJRMEISA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254564075 1040337877 /nfs/dbraw/zinc/33/78/77/1040337877.db2.gz IGZOYGVOSNJBLK-CJNGLKHVSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254564075 1040337894 /nfs/dbraw/zinc/33/78/94/1040337894.db2.gz IGZOYGVOSNJBLK-CJNGLKHVSA-N 1 1 399.438 3.760 20 5 GHBDMO CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254571571 1040348074 /nfs/dbraw/zinc/34/80/74/1040348074.db2.gz XYYJHAAVBXTEDO-DENIHFKCSA-N 1 1 397.519 3.749 20 5 GHBDMO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593205 1040365413 /nfs/dbraw/zinc/36/54/13/1040365413.db2.gz JXDOVIYWGVYUJL-ZRGWGRIASA-N 1 1 389.496 3.687 20 5 GHBDMO Cc1csc([C@H]2C[C@@H]3CC[N@H+]([C@H]4Cc5ccc([N+](=O)[O-])cc5C4)C[C@H]3O2)n1 ZINC001254598277 1040370856 /nfs/dbraw/zinc/37/08/56/1040370856.db2.gz VMWQWWDPVLYZJJ-WQANXHIZSA-N 1 1 385.489 3.679 20 5 GHBDMO O=[N+]([O-])c1cnc(Cl)cc1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255463716 1041067188 /nfs/dbraw/zinc/06/71/88/1041067188.db2.gz REMRAPZPUFBPAI-ZDUSSCGKSA-N 1 1 385.811 3.683 20 5 GHBDMO Cc1c(CC(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001462541518 1070343219 /nfs/dbraw/zinc/34/32/19/1070343219.db2.gz VCYYIOWRVVKVGG-NRFANRHFSA-N 1 1 395.503 3.959 20 5 GHBDMO COc1cc(N2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)C4(F)F)CC2)ccc1[N+](=O)[O-] ZINC001256092978 1041522079 /nfs/dbraw/zinc/52/20/79/1041522079.db2.gz CVXJALQBAYFYOG-OKILXGFUSA-N 1 1 381.423 3.549 20 5 GHBDMO CC[C@H](C)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCn1cc[nH+]c1C ZINC001291445531 1043261848 /nfs/dbraw/zinc/26/18/48/1043261848.db2.gz OPEKGZFHNHPHHM-HNNXBMFYSA-N 1 1 397.483 3.541 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001292110061 1043596568 /nfs/dbraw/zinc/59/65/68/1043596568.db2.gz QYBNSEUKGQECBA-YOEHRIQHSA-N 1 1 387.867 3.742 20 5 GHBDMO CC[C@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC001296188583 1045277108 /nfs/dbraw/zinc/27/71/08/1045277108.db2.gz LSLMSDRKNJYXFW-WMZOPIPTSA-N 1 1 399.466 3.960 20 5 GHBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001297113752 1045454457 /nfs/dbraw/zinc/45/44/57/1045454457.db2.gz AHQJSMZYSSGZFS-FQEVSTJZSA-N 1 1 388.512 3.700 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001261260761 1045945505 /nfs/dbraw/zinc/94/55/05/1045945505.db2.gz XMUXKEGDUYCPTP-SJLPKXTDSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001261260761 1045945511 /nfs/dbraw/zinc/94/55/11/1045945511.db2.gz XMUXKEGDUYCPTP-SJLPKXTDSA-N 1 1 391.830 3.871 20 5 GHBDMO CC(C)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCC[N@H+](C)C(C)C ZINC001302579212 1046986932 /nfs/dbraw/zinc/98/69/32/1046986932.db2.gz MNLFBWORRCSAJP-UHFFFAOYSA-N 1 1 388.516 3.676 20 5 GHBDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001303313182 1047357033 /nfs/dbraw/zinc/35/70/33/1047357033.db2.gz MAAZGRFWQMBWPV-HXUWFJFHSA-N 1 1 385.439 3.572 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)c2c1 ZINC000612112990 1047530992 /nfs/dbraw/zinc/53/09/92/1047530992.db2.gz TZZXMPFIDUQYMS-OZOXKJRCSA-N 1 1 389.459 3.861 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001266226422 1047719418 /nfs/dbraw/zinc/71/94/18/1047719418.db2.gz SFRFKSSBSQGRRK-IRXDYDNUSA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001266226422 1047719420 /nfs/dbraw/zinc/71/94/20/1047719420.db2.gz SFRFKSSBSQGRRK-IRXDYDNUSA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001305029323 1047843824 /nfs/dbraw/zinc/84/38/24/1047843824.db2.gz CLNYFCIPGXOFPP-HOTGVXAUSA-N 1 1 398.511 3.572 20 5 GHBDMO COC(=O)/C=C\c1ccc(NCCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001306918626 1048959463 /nfs/dbraw/zinc/95/94/63/1048959463.db2.gz SKAGXUOFFJQIOX-BENRWUELSA-N 1 1 383.448 3.715 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC001306937503 1048969049 /nfs/dbraw/zinc/96/90/49/1048969049.db2.gz OEBXAVNUJQPGPA-UHFFFAOYSA-N 1 1 378.314 3.510 20 5 GHBDMO CC(C)Oc1nc(Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC001306962021 1048981101 /nfs/dbraw/zinc/98/11/01/1048981101.db2.gz NCXIERAXQGTYBE-HNNXBMFYSA-N 1 1 386.452 3.914 20 5 GHBDMO C[C@@H](c1cccc(Nc2c3ccccc3ncc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001306962326 1048981328 /nfs/dbraw/zinc/98/13/28/1048981328.db2.gz RLPFVYUJXPGLCP-HNNXBMFYSA-N 1 1 378.432 3.702 20 5 GHBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001307107952 1049078929 /nfs/dbraw/zinc/07/89/29/1049078929.db2.gz LFJDFELXTMHURR-SFHVURJKSA-N 1 1 386.496 3.696 20 5 GHBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001307107951 1049079125 /nfs/dbraw/zinc/07/91/25/1049079125.db2.gz LFJDFELXTMHURR-GOSISDBHSA-N 1 1 386.496 3.696 20 5 GHBDMO O=C(CC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC001307430469 1049267825 /nfs/dbraw/zinc/26/78/25/1049267825.db2.gz CRMCETOIAYSOOS-FQEVSTJZSA-N 1 1 383.448 3.605 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001307524528 1049369857 /nfs/dbraw/zinc/36/98/57/1049369857.db2.gz KWLAUHHUEMOXQO-KRWDZBQOSA-N 1 1 385.464 3.713 20 5 GHBDMO Cc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Br ZINC001307546637 1049388378 /nfs/dbraw/zinc/38/83/78/1049388378.db2.gz XFZOHEZRGPGEEE-CQSZACIVSA-N 1 1 391.269 3.747 20 5 GHBDMO O=C(OC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC001307745897 1049557278 /nfs/dbraw/zinc/55/72/78/1049557278.db2.gz GCGKRMWBPLQZSU-LJQANCHMSA-N 1 1 375.469 3.614 20 5 GHBDMO O=C(N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001289686763 1049591200 /nfs/dbraw/zinc/59/12/00/1049591200.db2.gz RLETWARKUWODFS-AABGKKOBSA-N 1 1 379.460 3.625 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001307819472 1049614350 /nfs/dbraw/zinc/61/43/50/1049614350.db2.gz VKXJAEXSYOCTFF-UKRRQHHQSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001307819472 1049614354 /nfs/dbraw/zinc/61/43/54/1049614354.db2.gz VKXJAEXSYOCTFF-UKRRQHHQSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OC(C)(C)C ZINC001307860328 1049643891 /nfs/dbraw/zinc/64/38/91/1049643891.db2.gz NZECUPTYOFRZSI-CRAIPNDOSA-N 1 1 378.469 3.806 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OC(C)(C)C ZINC001307860328 1049643900 /nfs/dbraw/zinc/64/39/00/1049643900.db2.gz NZECUPTYOFRZSI-CRAIPNDOSA-N 1 1 378.469 3.806 20 5 GHBDMO COC[C@H](C)[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001307976684 1049735726 /nfs/dbraw/zinc/73/57/26/1049735726.db2.gz VDGXREBZSAGJCT-YCRPNKLZSA-N 1 1 398.459 3.906 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001308070285 1049817691 /nfs/dbraw/zinc/81/76/91/1049817691.db2.gz ZSKPQRODHMSQIC-KRWDZBQOSA-N 1 1 389.496 3.782 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001308070285 1049817706 /nfs/dbraw/zinc/81/77/06/1049817706.db2.gz ZSKPQRODHMSQIC-KRWDZBQOSA-N 1 1 389.496 3.782 20 5 GHBDMO Cc1noc(C[N@@H+]2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[N+](=O)[O-] ZINC001308076306 1049821305 /nfs/dbraw/zinc/82/13/05/1049821305.db2.gz WOYMOISGWPCTFU-LJQANCHMSA-N 1 1 394.472 3.504 20 5 GHBDMO Cc1noc(C[N@H+]2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[N+](=O)[O-] ZINC001308076306 1049821311 /nfs/dbraw/zinc/82/13/11/1049821311.db2.gz WOYMOISGWPCTFU-LJQANCHMSA-N 1 1 394.472 3.504 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001308168484 1049897097 /nfs/dbraw/zinc/89/70/97/1049897097.db2.gz QEKUQGAIKSBOBC-FOLVSLTJSA-N 1 1 381.860 3.545 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001308168484 1049897102 /nfs/dbraw/zinc/89/71/02/1049897102.db2.gz QEKUQGAIKSBOBC-FOLVSLTJSA-N 1 1 381.860 3.545 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCCCC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001308611205 1050031407 /nfs/dbraw/zinc/03/14/07/1050031407.db2.gz PJYVTFVSRSANDX-KRWDZBQOSA-N 1 1 378.469 3.937 20 5 GHBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001308788654 1050094330 /nfs/dbraw/zinc/09/43/30/1050094330.db2.gz KJSDOHKOLXLSAC-HNNXBMFYSA-N 1 1 378.812 3.616 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001308788654 1050094340 /nfs/dbraw/zinc/09/43/40/1050094340.db2.gz KJSDOHKOLXLSAC-HNNXBMFYSA-N 1 1 378.812 3.616 20 5 GHBDMO COc1c(O)ccc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001308803999 1050101407 /nfs/dbraw/zinc/10/14/07/1050101407.db2.gz XNMKCPBTLJXKST-SFHVURJKSA-N 1 1 399.491 3.701 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)o1 ZINC001329803470 1050907494 /nfs/dbraw/zinc/90/74/94/1050907494.db2.gz YBSGDBMAYYGIEX-LJQANCHMSA-N 1 1 392.839 3.890 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)o1 ZINC001329803470 1050907498 /nfs/dbraw/zinc/90/74/98/1050907498.db2.gz YBSGDBMAYYGIEX-LJQANCHMSA-N 1 1 392.839 3.890 20 5 GHBDMO O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331657858 1051345583 /nfs/dbraw/zinc/34/55/83/1051345583.db2.gz AGWTUZIBSYRYRW-IBGZPJMESA-N 1 1 385.851 3.755 20 5 GHBDMO O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331657858 1051345590 /nfs/dbraw/zinc/34/55/90/1051345590.db2.gz AGWTUZIBSYRYRW-IBGZPJMESA-N 1 1 385.851 3.755 20 5 GHBDMO Cc1c(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311259131 1051973138 /nfs/dbraw/zinc/97/31/38/1051973138.db2.gz UHPJWLBURBJHDX-RFAUZJTJSA-N 1 1 386.374 3.526 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001335103331 1052034081 /nfs/dbraw/zinc/03/40/81/1052034081.db2.gz VSJDJLNKLGAGDL-VFNWGFHPSA-N 1 1 394.431 3.689 20 5 GHBDMO Cc1ccc(CNC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001311712037 1052349777 /nfs/dbraw/zinc/34/97/77/1052349777.db2.gz IUGVYZICCRLEHV-APWZRJJASA-N 1 1 382.464 3.538 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001319459106 1055260137 /nfs/dbraw/zinc/26/01/37/1055260137.db2.gz WVACRVYITVIQNN-FUHWJXTLSA-N 1 1 396.491 3.667 20 5 GHBDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC001319608664 1055356254 /nfs/dbraw/zinc/35/62/54/1055356254.db2.gz UFOUMMXEEFFULN-SFHVURJKSA-N 1 1 397.479 3.512 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001321241890 1056180363 /nfs/dbraw/zinc/18/03/63/1056180363.db2.gz ZRBWGESUKLETRP-NVXWUHKLSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001321241890 1056180372 /nfs/dbraw/zinc/18/03/72/1056180372.db2.gz ZRBWGESUKLETRP-NVXWUHKLSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001323004575 1056906506 /nfs/dbraw/zinc/90/65/06/1056906506.db2.gz PZUYQPBEIXWHMA-WBVHZDCISA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001323004575 1056906508 /nfs/dbraw/zinc/90/65/08/1056906508.db2.gz PZUYQPBEIXWHMA-WBVHZDCISA-N 1 1 377.803 3.563 20 5 GHBDMO CCC[C@H]([NH2+]Cc1ccccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001323991842 1057050718 /nfs/dbraw/zinc/05/07/18/1057050718.db2.gz NETVEQZQVLMJIE-NRFANRHFSA-N 1 1 382.508 3.978 20 5 GHBDMO COC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC001324356856 1057118809 /nfs/dbraw/zinc/11/88/09/1057118809.db2.gz AXGOFFBMZGBCMD-DOMZBBRYSA-N 1 1 380.828 3.744 20 5 GHBDMO COC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC001324356856 1057118813 /nfs/dbraw/zinc/11/88/13/1057118813.db2.gz AXGOFFBMZGBCMD-DOMZBBRYSA-N 1 1 380.828 3.744 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCC[N@@H+](Cc4ccccc4)CC3)c2c1 ZINC001325490333 1057333850 /nfs/dbraw/zinc/33/38/50/1057333850.db2.gz WASMYXDGFHWSRV-UHFFFAOYSA-N 1 1 397.866 3.904 20 5 GHBDMO C[C@@H]1CN(C(=O)CSc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001356354205 1057486029 /nfs/dbraw/zinc/48/60/29/1057486029.db2.gz FSIAHLCLGMYMEG-SJORKVTESA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@@H]1CN(C(=O)CSc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001356354205 1057486030 /nfs/dbraw/zinc/48/60/30/1057486030.db2.gz FSIAHLCLGMYMEG-SJORKVTESA-N 1 1 399.516 3.808 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001441239662 1058734155 /nfs/dbraw/zinc/73/41/55/1058734155.db2.gz JWACOSVYDPYWAT-SFHVURJKSA-N 1 1 397.475 3.560 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001441384323 1058771596 /nfs/dbraw/zinc/77/15/96/1058771596.db2.gz VQBKYFIBOFBINW-MRXNPFEDSA-N 1 1 399.466 3.967 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)c3c(F)c(C)cc([N+](=O)[O-])c3F)CC[NH2+]2)cc1 ZINC001448446695 1060187026 /nfs/dbraw/zinc/18/70/26/1060187026.db2.gz CXYVYHYZIFJXNH-HNNXBMFYSA-N 1 1 389.402 3.531 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001454409362 1061770100 /nfs/dbraw/zinc/77/01/00/1061770100.db2.gz VJIDXFTZLLZHPD-KXBFYZLASA-N 1 1 392.459 3.717 20 5 GHBDMO C[C@H](c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC001435094471 1062289556 /nfs/dbraw/zinc/28/95/56/1062289556.db2.gz ZWFQBAQVPHZUJX-IPHXSNPTSA-N 1 1 395.459 3.730 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C2(CCCCC2)C1 ZINC001456913415 1062916112 /nfs/dbraw/zinc/91/61/12/1062916112.db2.gz QVYHCRAOIFMIMN-UHFFFAOYSA-N 1 1 386.279 3.992 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001435777804 1062922462 /nfs/dbraw/zinc/92/24/62/1062922462.db2.gz LIWIJQMBXYVBFJ-UHFFFAOYSA-N 1 1 396.491 3.810 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001348454504 1063087172 /nfs/dbraw/zinc/08/71/72/1063087172.db2.gz QOJMHNCSSLWHBQ-RDJZCZTQSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001348454504 1063087197 /nfs/dbraw/zinc/08/71/97/1063087197.db2.gz QOJMHNCSSLWHBQ-RDJZCZTQSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)CC[C@H]21 ZINC001458236942 1063682424 /nfs/dbraw/zinc/68/24/24/1063682424.db2.gz JVBGUZMHEPTFHD-YLJYHZDGSA-N 1 1 379.460 3.746 20 5 GHBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001458243727 1063689589 /nfs/dbraw/zinc/68/95/89/1063689589.db2.gz DGDUSUDFKMBWGD-UHFFFAOYSA-N 1 1 399.838 3.502 20 5 GHBDMO Cc1cc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458266934 1063707462 /nfs/dbraw/zinc/70/74/62/1063707462.db2.gz FKSKZUAHKYVNNL-KRWDZBQOSA-N 1 1 383.496 3.562 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001458513171 1063859062 /nfs/dbraw/zinc/85/90/62/1063859062.db2.gz INYPJYYWJMFRAX-CYBMUJFWSA-N 1 1 381.860 3.569 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001438339143 1064037777 /nfs/dbraw/zinc/03/77/77/1064037777.db2.gz XJELWAQLEOSWIL-AEFFLSMTSA-N 1 1 399.516 3.571 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001466716433 1066273326 /nfs/dbraw/zinc/27/33/26/1066273326.db2.gz HXUPIOUNOOJAJO-MRXNPFEDSA-N 1 1 383.448 3.990 20 5 GHBDMO Cc1cc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001467530849 1067345244 /nfs/dbraw/zinc/34/52/44/1067345244.db2.gz YEPVQEUANQGOBF-SFHVURJKSA-N 1 1 382.464 3.889 20 5 GHBDMO COCC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CC[C@@H](C)C1 ZINC001473436662 1067557391 /nfs/dbraw/zinc/55/73/91/1067557391.db2.gz VLETZYMMKOYBSL-OCCSQVGLSA-N 1 1 394.859 3.935 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001460095233 1068779546 /nfs/dbraw/zinc/77/95/46/1068779546.db2.gz BSEQJYDNTITWJL-DENIHFKCSA-N 1 1 384.476 3.778 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc4cc[nH]c4c3)C2)cc1 ZINC001460134805 1068803687 /nfs/dbraw/zinc/80/36/87/1068803687.db2.gz YNOJBDDBUYONNL-ICSRJNTNSA-N 1 1 395.459 3.695 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCCC[C@@H]2CO)cc1OC ZINC001460315492 1068921099 /nfs/dbraw/zinc/92/10/99/1068921099.db2.gz RWGBEFIVKJKOMH-NVXWUHKLSA-N 1 1 380.485 3.765 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC001460480533 1068975225 /nfs/dbraw/zinc/97/52/25/1068975225.db2.gz GLRPGPJKDDKIOU-MRXNPFEDSA-N 1 1 397.422 3.895 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001460771854 1069169072 /nfs/dbraw/zinc/16/90/72/1069169072.db2.gz OKALFTPWRMIHLB-NSHDSACASA-N 1 1 395.232 3.666 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001460771854 1069169080 /nfs/dbraw/zinc/16/90/80/1069169080.db2.gz OKALFTPWRMIHLB-NSHDSACASA-N 1 1 395.232 3.666 20 5 GHBDMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])C2)c1 ZINC001470714454 1072700621 /nfs/dbraw/zinc/70/06/21/1072700621.db2.gz XTFGCXXHBBWRPE-MRXNPFEDSA-N 1 1 387.867 3.869 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001471029007 1072892105 /nfs/dbraw/zinc/89/21/05/1072892105.db2.gz WPHRCJFYMGVHLA-DOTOQJQBSA-N 1 1 392.459 3.574 20 5 GHBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001471688014 1073180665 /nfs/dbraw/zinc/18/06/65/1073180665.db2.gz YMJMTBRIZCFFQB-RTBURBONSA-N 1 1 381.432 3.696 20 5 GHBDMO C[C@H]1[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001472799166 1073670757 /nfs/dbraw/zinc/67/07/57/1073670757.db2.gz LDDBIYSPLIQVFK-KSSFIOAISA-N 1 1 380.423 3.779 20 5 GHBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001472798906 1073670782 /nfs/dbraw/zinc/67/07/82/1073670782.db2.gz BDBPQPQPWNIEGM-MGPUTAFESA-N 1 1 394.475 3.562 20 5 GHBDMO C[N@H+](Cc1ccccc1)C[C@@H](Cn1cccc([N+](=O)[O-])c1=O)c1ccccc1 ZINC001472986584 1073742026 /nfs/dbraw/zinc/74/20/26/1073742026.db2.gz HBVONGICRICKRD-FQEVSTJZSA-N 1 1 377.444 3.672 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](CC)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001473194368 1073846311 /nfs/dbraw/zinc/84/63/11/1073846311.db2.gz BUSNVENIFGKFQG-QGZVFWFLSA-N 1 1 385.464 3.885 20 5 GHBDMO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473198552 1073850726 /nfs/dbraw/zinc/85/07/26/1073850726.db2.gz NRBXXABGGHINEW-JLTOFOAXSA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473198552 1073850732 /nfs/dbraw/zinc/85/07/32/1073850732.db2.gz NRBXXABGGHINEW-JLTOFOAXSA-N 1 1 383.423 3.706 20 5 GHBDMO COc1ccc2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C1CCCCC1)C2 ZINC001473225123 1073872643 /nfs/dbraw/zinc/87/26/43/1073872643.db2.gz VBHLSNKSSFYHAU-OAQYLSRUSA-N 1 1 384.480 3.807 20 5 GHBDMO CCOc1cc(N2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)ccc1[N+](=O)[O-] ZINC001473437395 1073961899 /nfs/dbraw/zinc/96/18/99/1073961899.db2.gz GHHALMAZBWMBFR-CYBMUJFWSA-N 1 1 388.295 3.699 20 5 GHBDMO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473560669 1074016228 /nfs/dbraw/zinc/01/62/28/1074016228.db2.gz ACJQPFXCBUVNGV-LJQANCHMSA-N 1 1 388.489 3.637 20 5 GHBDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473560669 1074016236 /nfs/dbraw/zinc/01/62/36/1074016236.db2.gz ACJQPFXCBUVNGV-LJQANCHMSA-N 1 1 388.489 3.637 20 5 GHBDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001473560679 1074016433 /nfs/dbraw/zinc/01/64/33/1074016433.db2.gz AIVHJSQKJZQIOR-JKSUJKDBSA-N 1 1 378.469 3.663 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001473561300 1074017955 /nfs/dbraw/zinc/01/79/55/1074017955.db2.gz KYCJQIHOSXQFHR-TZMCWYRMSA-N 1 1 382.432 3.542 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001473561300 1074017964 /nfs/dbraw/zinc/01/79/64/1074017964.db2.gz KYCJQIHOSXQFHR-TZMCWYRMSA-N 1 1 382.432 3.542 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001479443901 1079207431 /nfs/dbraw/zinc/20/74/31/1079207431.db2.gz BGMHGLCTQGIZGM-GOSISDBHSA-N 1 1 396.491 3.534 20 5 GHBDMO CCC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001473714832 1074103356 /nfs/dbraw/zinc/10/33/56/1074103356.db2.gz LDXQLAFXKAHZLZ-HXUWFJFHSA-N 1 1 383.448 3.621 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@]2(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001473754817 1074124644 /nfs/dbraw/zinc/12/46/44/1074124644.db2.gz KNKVAQVCMDEFMP-NRFANRHFSA-N 1 1 383.448 3.943 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@]2(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001473754817 1074124646 /nfs/dbraw/zinc/12/46/46/1074124646.db2.gz KNKVAQVCMDEFMP-NRFANRHFSA-N 1 1 383.448 3.943 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC001473818677 1074159285 /nfs/dbraw/zinc/15/92/85/1074159285.db2.gz RXYUSHPLIOQDON-KXBFYZLASA-N 1 1 383.448 3.810 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001473871038 1074184110 /nfs/dbraw/zinc/18/41/10/1074184110.db2.gz OZZBUXOAUPNVBP-IBGZPJMESA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001473871038 1074184115 /nfs/dbraw/zinc/18/41/15/1074184115.db2.gz OZZBUXOAUPNVBP-IBGZPJMESA-N 1 1 379.432 3.709 20 5 GHBDMO C[C@@H]1CN(c2ccccc2C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC001474318150 1074339996 /nfs/dbraw/zinc/33/99/96/1074339996.db2.gz AKUGEBLLHFXDLH-QGZVFWFLSA-N 1 1 381.476 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3OCC(F)F)CC2)cc1 ZINC001474405824 1074390303 /nfs/dbraw/zinc/39/03/03/1074390303.db2.gz FHXYDTAAWMLINS-UHFFFAOYSA-N 1 1 377.391 3.561 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001474550030 1074459029 /nfs/dbraw/zinc/45/90/29/1074459029.db2.gz HUMRTXFFRLQBOZ-AEFFLSMTSA-N 1 1 398.356 3.914 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001474550030 1074459032 /nfs/dbraw/zinc/45/90/32/1074459032.db2.gz HUMRTXFFRLQBOZ-AEFFLSMTSA-N 1 1 398.356 3.914 20 5 GHBDMO CCC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)Cc1ccccc1F ZINC001474630528 1074491064 /nfs/dbraw/zinc/49/10/64/1074491064.db2.gz MBYVOSUNXKDILC-UHFFFAOYSA-N 1 1 390.411 3.698 20 5 GHBDMO CCC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)Cc1ccccc1F ZINC001474630528 1074491065 /nfs/dbraw/zinc/49/10/65/1074491065.db2.gz MBYVOSUNXKDILC-UHFFFAOYSA-N 1 1 390.411 3.698 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2cc(F)cc(F)c2C1 ZINC001460974801 1069309473 /nfs/dbraw/zinc/30/94/73/1069309473.db2.gz SQHZJUSDNOOWOF-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cc(F)cc(F)c2C1 ZINC001460974801 1069309486 /nfs/dbraw/zinc/30/94/86/1069309486.db2.gz SQHZJUSDNOOWOF-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735874159 599267594 /nfs/dbraw/zinc/26/75/94/599267594.db2.gz NRUKLOHQJFFVNN-UHFFFAOYSA-N 1 1 386.843 3.839 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735874159 599267596 /nfs/dbraw/zinc/26/75/96/599267596.db2.gz NRUKLOHQJFFVNN-UHFFFAOYSA-N 1 1 386.843 3.839 20 5 GHBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054432 722011392 /nfs/dbraw/zinc/01/13/92/722011392.db2.gz XZUUQGBUZCCTFQ-UHFFFAOYSA-N 1 1 397.866 3.556 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000176578912 837449221 /nfs/dbraw/zinc/44/92/21/837449221.db2.gz BPORYZMDEWONKN-SJLPKXTDSA-N 1 1 399.516 3.856 20 5 GHBDMO CCOc1ccc([C@H](C)NCC2([NH+]3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000180738630 837506010 /nfs/dbraw/zinc/50/60/10/837506010.db2.gz CATKUQDBEKRGDP-KRWDZBQOSA-N 1 1 391.512 3.679 20 5 GHBDMO COc1cccc(OC)c1OCCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581690135 837580340 /nfs/dbraw/zinc/58/03/40/837580340.db2.gz XIVJFRQKXUQKIC-UHFFFAOYSA-N 1 1 386.448 3.829 20 5 GHBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180850199 837590518 /nfs/dbraw/zinc/59/05/18/837590518.db2.gz WKNYRUHGIWPCAC-SJLPKXTDSA-N 1 1 392.459 3.650 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178041520 837611621 /nfs/dbraw/zinc/61/16/21/837611621.db2.gz YGSZPXLCWXZNHA-HNNXBMFYSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178041520 837611623 /nfs/dbraw/zinc/61/16/23/837611623.db2.gz YGSZPXLCWXZNHA-HNNXBMFYSA-N 1 1 387.867 3.890 20 5 GHBDMO CN(C)Cc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1F ZINC000120984309 837704531 /nfs/dbraw/zinc/70/45/31/837704531.db2.gz CNXIXLDUZCDDMU-UHFFFAOYSA-N 1 1 386.471 3.554 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000049409461 834350657 /nfs/dbraw/zinc/35/06/57/834350657.db2.gz ZRVONMHFZKRSEW-INIZCTEOSA-N 1 1 382.247 3.934 20 5 GHBDMO COc1c(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(C)nn1C ZINC000160178405 834373540 /nfs/dbraw/zinc/37/35/40/834373540.db2.gz JOYBLMPDTLEHOI-UHFFFAOYSA-N 1 1 390.827 3.849 20 5 GHBDMO COc1ccccc1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000165411571 834848951 /nfs/dbraw/zinc/84/89/51/834848951.db2.gz ZNAMQCUSKQVQLT-UHFFFAOYSA-N 1 1 383.448 3.905 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 ZINC000153989214 834928308 /nfs/dbraw/zinc/92/83/08/834928308.db2.gz BFXAHIMBQHZOAA-UHFFFAOYSA-N 1 1 388.899 3.782 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 ZINC000153989214 834928313 /nfs/dbraw/zinc/92/83/13/834928313.db2.gz BFXAHIMBQHZOAA-UHFFFAOYSA-N 1 1 388.899 3.782 20 5 GHBDMO CSc1cccc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000187110035 835015794 /nfs/dbraw/zinc/01/57/94/835015794.db2.gz REYCOXVZQUMXEY-SFHVURJKSA-N 1 1 399.516 3.957 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610209011 835101791 /nfs/dbraw/zinc/10/17/91/835101791.db2.gz OBSYJLVDGVMYAS-GDBMZVCRSA-N 1 1 379.526 3.946 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000510098941 835222133 /nfs/dbraw/zinc/22/21/33/835222133.db2.gz NJKDVYSXROJBJX-HKUYNNGSSA-N 1 1 381.476 3.934 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000278552975 835372230 /nfs/dbraw/zinc/37/22/30/835372230.db2.gz ZJHGCRNYYVTSKV-QFBILLFUSA-N 1 1 389.383 3.994 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278574750 835441758 /nfs/dbraw/zinc/44/17/58/835441758.db2.gz XRAWKLMGNBYHFA-VIFPVBQESA-N 1 1 391.300 3.751 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000254993174 835563294 /nfs/dbraw/zinc/56/32/94/835563294.db2.gz RCEXPOLCGBKGNS-FNUUXAGOSA-N 1 1 379.460 3.589 20 5 GHBDMO COC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H](C)O1 ZINC000188373942 835814481 /nfs/dbraw/zinc/81/44/81/835814481.db2.gz GTHXVEMTZPCCGN-IUODEOHRSA-N 1 1 380.828 3.744 20 5 GHBDMO COC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H](C)O1 ZINC000188373942 835814487 /nfs/dbraw/zinc/81/44/87/835814487.db2.gz GTHXVEMTZPCCGN-IUODEOHRSA-N 1 1 380.828 3.744 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCOc1ccccc1C ZINC001167094363 835893889 /nfs/dbraw/zinc/89/38/89/835893889.db2.gz MRQOBLAVVWXNCH-UHFFFAOYSA-N 1 1 385.464 3.941 20 5 GHBDMO COc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000611825200 835906576 /nfs/dbraw/zinc/90/65/76/835906576.db2.gz ZZDOEKSZEAKOJU-KRWDZBQOSA-N 1 1 398.463 3.637 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000278784939 835932733 /nfs/dbraw/zinc/93/27/33/835932733.db2.gz XHAKSWAJZCYDKU-UHFFFAOYSA-N 1 1 375.812 3.635 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c(Br)c1 ZINC001167100865 836076935 /nfs/dbraw/zinc/07/69/35/836076935.db2.gz OVKSJMGHCWJLPC-ZDUSSCGKSA-N 1 1 377.242 3.527 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c(Br)c1 ZINC001167100865 836076943 /nfs/dbraw/zinc/07/69/43/836076943.db2.gz OVKSJMGHCWJLPC-ZDUSSCGKSA-N 1 1 377.242 3.527 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000173693659 836251527 /nfs/dbraw/zinc/25/15/27/836251527.db2.gz AGDDZESHGMWSBC-INIZCTEOSA-N 1 1 385.464 3.803 20 5 GHBDMO CC[C@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCS1 ZINC000180172251 836465873 /nfs/dbraw/zinc/46/58/73/836465873.db2.gz OFIDLXTXZCQXNV-LBPRGKRZSA-N 1 1 376.425 3.575 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCS1 ZINC000180172251 836465875 /nfs/dbraw/zinc/46/58/75/836465875.db2.gz OFIDLXTXZCQXNV-LBPRGKRZSA-N 1 1 376.425 3.575 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247100755 836803067 /nfs/dbraw/zinc/80/30/67/836803067.db2.gz XDHVCDLGEQZATI-LSDHHAIUSA-N 1 1 379.888 3.975 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000180255084 836880211 /nfs/dbraw/zinc/88/02/11/836880211.db2.gz DQWXJVJBNSCYRV-PBHICJAKSA-N 1 1 377.510 3.652 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000175717978 836958402 /nfs/dbraw/zinc/95/84/02/836958402.db2.gz GSNJUXSPOSNVQE-ZDUSSCGKSA-N 1 1 395.419 3.980 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000247233072 837835670 /nfs/dbraw/zinc/83/56/70/837835670.db2.gz SHJCIZGZCQEJMP-RHSMWYFYSA-N 1 1 392.477 3.632 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109765000 837842489 /nfs/dbraw/zinc/84/24/89/837842489.db2.gz KWNBJVLIZOVZHX-AWEZNQCLSA-N 1 1 393.447 3.678 20 5 GHBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255959455 837902745 /nfs/dbraw/zinc/90/27/45/837902745.db2.gz JARHQXCAYFGGFV-MSOLQXFVSA-N 1 1 397.258 3.871 20 5 GHBDMO CC[C@@H](C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000102670782 838182988 /nfs/dbraw/zinc/18/29/88/838182988.db2.gz PBLCOFCBFGKVKG-CQSZACIVSA-N 1 1 385.420 3.563 20 5 GHBDMO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000610001780 838275876 /nfs/dbraw/zinc/27/58/76/838275876.db2.gz YBPTYKLPYZVDPS-HXUWFJFHSA-N 1 1 384.411 3.568 20 5 GHBDMO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000610001780 838275880 /nfs/dbraw/zinc/27/58/80/838275880.db2.gz YBPTYKLPYZVDPS-HXUWFJFHSA-N 1 1 384.411 3.568 20 5 GHBDMO C[C@@H](C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000579054057 838287544 /nfs/dbraw/zinc/28/75/44/838287544.db2.gz XBKZJQOXANVDDU-VGSWGCGISA-N 1 1 381.476 3.869 20 5 GHBDMO COc1ccc(-c2ccc(C[NH+]3CC(CO)(c4ccccc4)C3)o2)c([N+](=O)[O-])c1 ZINC000414547835 838618585 /nfs/dbraw/zinc/61/85/85/838618585.db2.gz IMQSZQJOTKMFOD-UHFFFAOYSA-N 1 1 394.427 3.609 20 5 GHBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000104675285 838850855 /nfs/dbraw/zinc/85/08/55/838850855.db2.gz MRBNJEVWJGWVRU-UHFFFAOYSA-N 1 1 391.512 3.853 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000541318846 838871314 /nfs/dbraw/zinc/87/13/14/838871314.db2.gz IQTHOZMWXVUWQN-VBKZILBWSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000541318846 838871326 /nfs/dbraw/zinc/87/13/26/838871326.db2.gz IQTHOZMWXVUWQN-VBKZILBWSA-N 1 1 383.448 3.933 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CCC[NH2+]C2)cc1 ZINC000414827437 838875355 /nfs/dbraw/zinc/87/53/55/838875355.db2.gz KSVUTCWMENMNFA-KRWDZBQOSA-N 1 1 391.475 3.537 20 5 GHBDMO C[C@@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610400894 839064843 /nfs/dbraw/zinc/06/48/43/839064843.db2.gz ORRKZOYUQUCLRW-UZLBHIALSA-N 1 1 382.464 3.572 20 5 GHBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160430570 839067055 /nfs/dbraw/zinc/06/70/55/839067055.db2.gz QUZNNXUQKJNGLC-SJPCQFCGSA-N 1 1 375.469 3.957 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000549167167 839138529 /nfs/dbraw/zinc/13/85/29/839138529.db2.gz FKWKHAYVCXRJJU-QGZVFWFLSA-N 1 1 382.382 3.692 20 5 GHBDMO COc1cc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415059749 839145826 /nfs/dbraw/zinc/14/58/26/839145826.db2.gz YUJWIDVSNJGGFI-OPAMFIHVSA-N 1 1 399.491 3.599 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000549172100 839146901 /nfs/dbraw/zinc/14/69/01/839146901.db2.gz QXOCSVHPRCLJMU-QGZVFWFLSA-N 1 1 398.381 3.528 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]CC(=O)Nc3cccc(F)c3)o2)c([N+](=O)[O-])c1 ZINC000549172691 839157983 /nfs/dbraw/zinc/15/79/83/839157983.db2.gz ZAJICDOTCMMJHJ-UHFFFAOYSA-N 1 1 399.378 3.731 20 5 GHBDMO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173745 839160895 /nfs/dbraw/zinc/16/08/95/839160895.db2.gz UTGZWWXFLJUJJN-PFAOJVKKSA-N 1 1 385.508 3.543 20 5 GHBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)C1 ZINC000549190305 839236235 /nfs/dbraw/zinc/23/62/35/839236235.db2.gz OBLWLWKSCXPBDB-QFIPXVFZSA-N 1 1 379.460 3.748 20 5 GHBDMO COc1cc(C[N@@H+](C)CC2(C)COC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000600188235 861191558 /nfs/dbraw/zinc/19/15/58/861191558.db2.gz ARJCSXABXWURIL-UHFFFAOYSA-N 1 1 386.448 3.651 20 5 GHBDMO Cc1c(C[NH2+]Cc2cc3c(cc2Br)OCO3)cccc1[N+](=O)[O-] ZINC000323426938 839551621 /nfs/dbraw/zinc/55/16/21/839551621.db2.gz ZHKKBMXTSPFYLC-UHFFFAOYSA-N 1 1 379.210 3.684 20 5 GHBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000458222285 844474742 /nfs/dbraw/zinc/47/47/42/844474742.db2.gz QLZRRFPWAAPZCS-KRWDZBQOSA-N 1 1 397.475 3.636 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000580731561 840081188 /nfs/dbraw/zinc/08/11/88/840081188.db2.gz PPTJOYZWVXMGBS-UHFFFAOYSA-N 1 1 388.427 3.734 20 5 GHBDMO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000312729585 840210955 /nfs/dbraw/zinc/21/09/55/840210955.db2.gz VXICKWYJFJPEAP-FQEVSTJZSA-N 1 1 387.867 3.890 20 5 GHBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000066854691 840262215 /nfs/dbraw/zinc/26/22/15/840262215.db2.gz SYRHEAJELXGCPV-CYBMUJFWSA-N 1 1 380.370 3.892 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](CCO)[C@H]3CCc4ccccc43)co2)cc1 ZINC000119334550 840268828 /nfs/dbraw/zinc/26/88/28/840268828.db2.gz YQQVWKUIWOWQOF-FQEVSTJZSA-N 1 1 379.416 3.732 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](CCO)[C@H]3CCc4ccccc43)co2)cc1 ZINC000119334550 840268837 /nfs/dbraw/zinc/26/88/37/840268837.db2.gz YQQVWKUIWOWQOF-FQEVSTJZSA-N 1 1 379.416 3.732 20 5 GHBDMO CC1(C)C[C@H]([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2cc([N+](=O)[O-])ccc21 ZINC000573438747 844539111 /nfs/dbraw/zinc/53/91/11/844539111.db2.gz YOLJSLSPBXGTTC-MDOVXXIYSA-N 1 1 379.460 3.598 20 5 GHBDMO Cc1sc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000511732086 840570172 /nfs/dbraw/zinc/57/01/72/840570172.db2.gz WKZPXLIPDHAFLA-SFHVURJKSA-N 1 1 387.505 3.995 20 5 GHBDMO O=[N+]([O-])c1cccc2c(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccnc21 ZINC000432172942 840927849 /nfs/dbraw/zinc/92/78/49/840927849.db2.gz RARVTVNFRCOMOG-GOSISDBHSA-N 1 1 392.459 3.846 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048312456 840936473 /nfs/dbraw/zinc/93/64/73/840936473.db2.gz MMENTBXNYJEKQC-QGZVFWFLSA-N 1 1 382.420 3.626 20 5 GHBDMO CN(C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000511856475 840970272 /nfs/dbraw/zinc/97/02/72/840970272.db2.gz XNPDSDQTHHGLHC-HBMCJLEFSA-N 1 1 379.460 3.826 20 5 GHBDMO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[NH+](C2CCCCC2)CC1 ZINC000584819036 840975284 /nfs/dbraw/zinc/97/52/84/840975284.db2.gz JOXYTKONXPRNPD-UHFFFAOYSA-N 1 1 389.499 3.772 20 5 GHBDMO COc1cc(C[NH2+]Cc2ncccc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000106480699 840980214 /nfs/dbraw/zinc/98/02/14/840980214.db2.gz SYTZCNLEXLOXPI-UHFFFAOYSA-N 1 1 385.342 3.538 20 5 GHBDMO O=C(CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000053370803 841212168 /nfs/dbraw/zinc/21/21/68/841212168.db2.gz GXODSGXSMKNKHZ-SFHVURJKSA-N 1 1 389.839 3.650 20 5 GHBDMO O=C(CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000053370803 841212174 /nfs/dbraw/zinc/21/21/74/841212174.db2.gz GXODSGXSMKNKHZ-SFHVURJKSA-N 1 1 389.839 3.650 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000014932155 841437272 /nfs/dbraw/zinc/43/72/72/841437272.db2.gz LEEBYYKWIQQXLP-RYUDHWBXSA-N 1 1 377.828 3.935 20 5 GHBDMO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000108395931 841599101 /nfs/dbraw/zinc/59/91/01/841599101.db2.gz QXDZLQRGOUHOHX-ZFWWWQNUSA-N 1 1 383.876 3.856 20 5 GHBDMO CCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000108395931 841599112 /nfs/dbraw/zinc/59/91/12/841599112.db2.gz QXDZLQRGOUHOHX-ZFWWWQNUSA-N 1 1 383.876 3.856 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(OC4CCCCC4)CC3)n2)cc1 ZINC000125450675 841710249 /nfs/dbraw/zinc/71/02/49/841710249.db2.gz KNBRBGCAFKLISA-UHFFFAOYSA-N 1 1 386.452 3.959 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000109533149 841943269 /nfs/dbraw/zinc/94/32/69/841943269.db2.gz MRLXFQUMWIIFNN-SFHVURJKSA-N 1 1 393.365 3.988 20 5 GHBDMO COC[C@]1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000600213211 861256280 /nfs/dbraw/zinc/25/62/80/861256280.db2.gz KKBGRCAABVLTOL-SFHVURJKSA-N 1 1 380.828 3.746 20 5 GHBDMO COC[C@]1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000600213211 861256295 /nfs/dbraw/zinc/25/62/95/861256295.db2.gz KKBGRCAABVLTOL-SFHVURJKSA-N 1 1 380.828 3.746 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000896624960 861261896 /nfs/dbraw/zinc/26/18/96/861261896.db2.gz ZFSFBAPABSFWFI-DTWKUNHWSA-N 1 1 378.231 3.595 20 5 GHBDMO O=[N+]([O-])c1cccc2c(NCc3cccc(C[NH+]4CCOCC4)c3)ccnc21 ZINC000432334958 842075065 /nfs/dbraw/zinc/07/50/65/842075065.db2.gz LFCJZIIUUHBIPQ-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000128496766 842126029 /nfs/dbraw/zinc/12/60/29/842126029.db2.gz HTJGUPMBYLTFHS-ZDUSSCGKSA-N 1 1 383.404 3.981 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000128496766 842126032 /nfs/dbraw/zinc/12/60/32/842126032.db2.gz HTJGUPMBYLTFHS-ZDUSSCGKSA-N 1 1 383.404 3.981 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])c1 ZINC000112076265 842180806 /nfs/dbraw/zinc/18/08/06/842180806.db2.gz IJUBWSFOHQXXMU-UHFFFAOYSA-N 1 1 384.480 3.797 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000112918533 842419762 /nfs/dbraw/zinc/41/97/62/842419762.db2.gz FTZVNTWEVYJIRA-UHFFFAOYSA-N 1 1 388.512 3.753 20 5 GHBDMO Cc1ccnc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000510536221 842920329 /nfs/dbraw/zinc/92/03/29/842920329.db2.gz XMFILZGWJADLFI-UHFFFAOYSA-N 1 1 378.432 3.880 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512195181 843011824 /nfs/dbraw/zinc/01/18/24/843011824.db2.gz KUODNKBKZLIAQC-UHFFFAOYSA-N 1 1 382.420 3.718 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512195181 843011838 /nfs/dbraw/zinc/01/18/38/843011838.db2.gz KUODNKBKZLIAQC-UHFFFAOYSA-N 1 1 382.420 3.718 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000302812446 861373368 /nfs/dbraw/zinc/37/33/68/861373368.db2.gz ZESTUSQLKRPGNU-INIZCTEOSA-N 1 1 377.391 3.576 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237350 843180607 /nfs/dbraw/zinc/18/06/07/843180607.db2.gz PTCFMITYEXHUFA-QFIPXVFZSA-N 1 1 381.476 3.572 20 5 GHBDMO Cc1cc(C)n(-c2ccc(CNc3ccc([N+](=O)[O-])c4c3CC[N@@H+](C)C4)cc2)n1 ZINC001167800023 843215204 /nfs/dbraw/zinc/21/52/04/843215204.db2.gz MSANNHBLLVFWIC-UHFFFAOYSA-N 1 1 391.475 3.997 20 5 GHBDMO Cc1cc(C)n(-c2ccc(CNc3ccc([N+](=O)[O-])c4c3CC[N@H+](C)C4)cc2)n1 ZINC001167800023 843215215 /nfs/dbraw/zinc/21/52/15/843215215.db2.gz MSANNHBLLVFWIC-UHFFFAOYSA-N 1 1 391.475 3.997 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000603919591 861401645 /nfs/dbraw/zinc/40/16/45/861401645.db2.gz QPLATPHDYRDLKD-HOTGVXAUSA-N 1 1 381.432 3.744 20 5 GHBDMO CCOCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21 ZINC000599626500 861413480 /nfs/dbraw/zinc/41/34/80/861413480.db2.gz XBWZOPVLJLEANY-NRFANRHFSA-N 1 1 398.459 3.987 20 5 GHBDMO CCOCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21 ZINC000599626500 861413492 /nfs/dbraw/zinc/41/34/92/861413492.db2.gz XBWZOPVLJLEANY-NRFANRHFSA-N 1 1 398.459 3.987 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512475900 843952574 /nfs/dbraw/zinc/95/25/74/843952574.db2.gz WIPMMGUKEGSQKU-CTNGQTDRSA-N 1 1 394.519 3.548 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429835529 843973751 /nfs/dbraw/zinc/97/37/51/843973751.db2.gz BFDOMWUQCXJWGP-UHFFFAOYSA-N 1 1 381.476 3.525 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000067208705 844010522 /nfs/dbraw/zinc/01/05/22/844010522.db2.gz MMXFKXLHVYPPGW-UHFFFAOYSA-N 1 1 389.402 3.576 20 5 GHBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000600309526 861571234 /nfs/dbraw/zinc/57/12/34/861571234.db2.gz BFIRFJQAGJZDRC-GOSISDBHSA-N 1 1 396.491 3.669 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000182691644 845509159 /nfs/dbraw/zinc/50/91/59/845509159.db2.gz RSXFUKJUHPLJIR-XYJFISCASA-N 1 1 388.512 3.916 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000182634934 845515417 /nfs/dbraw/zinc/51/54/17/845515417.db2.gz BWCPOAGXJTZMOJ-MRXNPFEDSA-N 1 1 385.439 3.951 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000182634934 845515450 /nfs/dbraw/zinc/51/54/50/845515450.db2.gz BWCPOAGXJTZMOJ-MRXNPFEDSA-N 1 1 385.439 3.951 20 5 GHBDMO CCC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000513503096 845560159 /nfs/dbraw/zinc/56/01/59/845560159.db2.gz LDNFHAHIEQXOKI-CQSZACIVSA-N 1 1 388.411 3.986 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000599753846 861632049 /nfs/dbraw/zinc/63/20/49/861632049.db2.gz UCOJDZQJGLECBL-QGZVFWFLSA-N 1 1 398.463 3.616 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000599753846 861632056 /nfs/dbraw/zinc/63/20/56/861632056.db2.gz UCOJDZQJGLECBL-QGZVFWFLSA-N 1 1 398.463 3.616 20 5 GHBDMO CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000072014724 846198041 /nfs/dbraw/zinc/19/80/41/846198041.db2.gz VUVIPCRGLSAYRK-PXNSSMCTSA-N 1 1 381.476 3.821 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000513662568 846228326 /nfs/dbraw/zinc/22/83/26/846228326.db2.gz XHKQDDGWWRKUJK-HXUWFJFHSA-N 1 1 375.432 3.731 20 5 GHBDMO COC(=O)c1nc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)sc1C ZINC000280344306 846368713 /nfs/dbraw/zinc/36/87/13/846368713.db2.gz HVRRMDACWBJQHJ-HNNXBMFYSA-N 1 1 375.450 3.526 20 5 GHBDMO COC(=O)c1nc([C@@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)sc1C ZINC000280344306 846368718 /nfs/dbraw/zinc/36/87/18/846368718.db2.gz HVRRMDACWBJQHJ-HNNXBMFYSA-N 1 1 375.450 3.526 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000599790171 861680190 /nfs/dbraw/zinc/68/01/90/861680190.db2.gz ACVHQMARJKDLKO-QGZVFWFLSA-N 1 1 398.463 3.616 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000599790171 861680197 /nfs/dbraw/zinc/68/01/97/861680197.db2.gz ACVHQMARJKDLKO-QGZVFWFLSA-N 1 1 398.463 3.616 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000582152440 846519238 /nfs/dbraw/zinc/51/92/38/846519238.db2.gz VMBKRNUJTJKWMG-LJQANCHMSA-N 1 1 382.464 3.548 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000582152440 846519248 /nfs/dbraw/zinc/51/92/48/846519248.db2.gz VMBKRNUJTJKWMG-LJQANCHMSA-N 1 1 382.464 3.548 20 5 GHBDMO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Br ZINC000500983424 846521051 /nfs/dbraw/zinc/52/10/51/846521051.db2.gz JXFUVFDQULVYQK-AWEZNQCLSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Br ZINC000500983424 846521053 /nfs/dbraw/zinc/52/10/53/846521053.db2.gz JXFUVFDQULVYQK-AWEZNQCLSA-N 1 1 391.269 3.747 20 5 GHBDMO CCCn1nccc1C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000501560963 847020808 /nfs/dbraw/zinc/02/08/08/847020808.db2.gz KPGBNNJVWYLSKL-MRXNPFEDSA-N 1 1 399.495 3.716 20 5 GHBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)c2C1 ZINC000158360665 847343796 /nfs/dbraw/zinc/34/37/96/847343796.db2.gz UKVLZMHTRPXQBH-UHFFFAOYSA-N 1 1 379.420 3.695 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)CC23CCC3)cc1OC ZINC000420995263 847617488 /nfs/dbraw/zinc/61/74/88/847617488.db2.gz OLIFCLHGERTZJC-RDJZCZTQSA-N 1 1 392.496 3.908 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)CC23CCC3)cc1OC ZINC000420995263 847617490 /nfs/dbraw/zinc/61/74/90/847617490.db2.gz OLIFCLHGERTZJC-RDJZCZTQSA-N 1 1 392.496 3.908 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000162579697 861831830 /nfs/dbraw/zinc/83/18/30/861831830.db2.gz YHEQXGXNRIGBOX-UHFFFAOYSA-N 1 1 386.496 3.718 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1[N+](=O)[O-] ZINC000612132002 848495427 /nfs/dbraw/zinc/49/54/27/848495427.db2.gz LGKAIHJFPFOVID-FFZOFVMBSA-N 1 1 397.450 3.764 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132268478 861993394 /nfs/dbraw/zinc/99/33/94/861993394.db2.gz ASNYTORLQLQXDM-IRLDBZIGSA-N 1 1 393.487 3.650 20 5 GHBDMO C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504279657 849995027 /nfs/dbraw/zinc/99/50/27/849995027.db2.gz MQGPNRWRGPQZRE-AEFFLSMTSA-N 1 1 379.460 3.785 20 5 GHBDMO COc1ccc(CC2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000504548786 850141463 /nfs/dbraw/zinc/14/14/63/850141463.db2.gz RXGAXNBGTRZSHJ-UHFFFAOYSA-N 1 1 397.475 3.805 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000439903339 850549375 /nfs/dbraw/zinc/54/93/75/850549375.db2.gz POQVSHXNDKQNMV-QGZVFWFLSA-N 1 1 398.463 3.637 20 5 GHBDMO COCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCOC1 ZINC000426525419 850565676 /nfs/dbraw/zinc/56/56/76/850565676.db2.gz WBLXUQIBAYPQPQ-CQSZACIVSA-N 1 1 380.828 3.746 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000481739825 862164772 /nfs/dbraw/zinc/16/47/72/862164772.db2.gz JUSNRFBLOGHPJK-INIZCTEOSA-N 1 1 377.510 3.653 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000481739825 862164780 /nfs/dbraw/zinc/16/47/80/862164780.db2.gz JUSNRFBLOGHPJK-INIZCTEOSA-N 1 1 377.510 3.653 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000425453837 851133211 /nfs/dbraw/zinc/13/32/11/851133211.db2.gz FTYLRQOYEJBIGG-UHFFFAOYSA-N 1 1 391.221 3.865 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(OCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000042563601 851143175 /nfs/dbraw/zinc/14/31/75/851143175.db2.gz FEKNEEVTEDTSDH-QGZVFWFLSA-N 1 1 397.475 3.911 20 5 GHBDMO Cc1cccc(C[NH+]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)c1 ZINC000436282314 851404078 /nfs/dbraw/zinc/40/40/78/851404078.db2.gz RWMRDPBYFSLKRT-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514225830 851421756 /nfs/dbraw/zinc/42/17/56/851421756.db2.gz FDEWIPYRGQGCBN-AWEZNQCLSA-N 1 1 385.411 3.581 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000430101721 851576316 /nfs/dbraw/zinc/57/63/16/851576316.db2.gz NSSIZCKZIPVKTE-ZROIWOOFSA-N 1 1 383.423 3.901 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000430101721 851576319 /nfs/dbraw/zinc/57/63/19/851576319.db2.gz NSSIZCKZIPVKTE-ZROIWOOFSA-N 1 1 383.423 3.901 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434743516 851611772 /nfs/dbraw/zinc/61/17/72/851611772.db2.gz FRKOXSXVIAIKIG-AVRDEDQJSA-N 1 1 398.507 3.902 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434743516 851611780 /nfs/dbraw/zinc/61/17/80/851611780.db2.gz FRKOXSXVIAIKIG-AVRDEDQJSA-N 1 1 398.507 3.902 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434743516 851611792 /nfs/dbraw/zinc/61/17/92/851611792.db2.gz FRKOXSXVIAIKIG-AVRDEDQJSA-N 1 1 398.507 3.902 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000425546321 851613670 /nfs/dbraw/zinc/61/36/70/851613670.db2.gz DPXMMRLLYPVBQT-HNAYVOBHSA-N 1 1 387.480 3.511 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175172311 851761885 /nfs/dbraw/zinc/76/18/85/851761885.db2.gz ANIKVPMISIEXFU-IBGZPJMESA-N 1 1 396.491 3.648 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175180128 851788246 /nfs/dbraw/zinc/78/82/46/851788246.db2.gz NFKMRNNBVRWDRQ-UHFFFAOYSA-N 1 1 383.404 3.810 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000515918568 851945290 /nfs/dbraw/zinc/94/52/90/851945290.db2.gz IPZWIFDFDBSMKU-WPMUKRGUSA-N 1 1 399.413 3.779 20 5 GHBDMO C[N@H+](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCSC1 ZINC000489193331 852103943 /nfs/dbraw/zinc/10/39/43/852103943.db2.gz CUMJVDCOUTYHGZ-INIZCTEOSA-N 1 1 387.461 3.763 20 5 GHBDMO C[N@@H+](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCSC1 ZINC000489193331 852103954 /nfs/dbraw/zinc/10/39/54/852103954.db2.gz CUMJVDCOUTYHGZ-INIZCTEOSA-N 1 1 387.461 3.763 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000505861142 852203866 /nfs/dbraw/zinc/20/38/66/852203866.db2.gz BMYHDTDWHSBVEE-QGZVFWFLSA-N 1 1 383.448 3.633 20 5 GHBDMO Cc1c(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000425621311 852285410 /nfs/dbraw/zinc/28/54/10/852285410.db2.gz LCHQAMFUMDVUIP-FXAWDEMLSA-N 1 1 380.448 3.641 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(-c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)c1 ZINC000516212950 852296151 /nfs/dbraw/zinc/29/61/51/852296151.db2.gz XBBWUJAODDRHJW-UHFFFAOYSA-N 1 1 384.302 3.830 20 5 GHBDMO C[N@H+](CCCOc1ccc(F)cc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000120709531 852328283 /nfs/dbraw/zinc/32/82/83/852328283.db2.gz LGXOKFWNKVNQOK-UHFFFAOYSA-N 1 1 386.383 3.685 20 5 GHBDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000120709531 852328290 /nfs/dbraw/zinc/32/82/90/852328290.db2.gz LGXOKFWNKVNQOK-UHFFFAOYSA-N 1 1 386.383 3.685 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000150801495 852406352 /nfs/dbraw/zinc/40/63/52/852406352.db2.gz DSWAUKKMLOHEIZ-HZPDHXFCSA-N 1 1 393.484 3.599 20 5 GHBDMO CC[C@@H](NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000489611400 852487358 /nfs/dbraw/zinc/48/73/58/852487358.db2.gz AWZYCTXCYKLSGD-LJQANCHMSA-N 1 1 397.479 3.718 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000505930690 852628513 /nfs/dbraw/zinc/62/85/13/852628513.db2.gz QTFJXRBMUJAPDD-CABCVRRESA-N 1 1 379.526 3.947 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000437133870 852765024 /nfs/dbraw/zinc/76/50/24/852765024.db2.gz NBRKWLQTDQTGQK-UHFFFAOYSA-N 1 1 388.431 3.924 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C2CC2)c1 ZINC000490139587 852787589 /nfs/dbraw/zinc/78/75/89/852787589.db2.gz MGRXIMILRFJNAO-GOSISDBHSA-N 1 1 376.840 3.653 20 5 GHBDMO CC(C)(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000543208527 852810912 /nfs/dbraw/zinc/81/09/12/852810912.db2.gz GMXBQKOBPWBEIY-UHFFFAOYSA-N 1 1 376.478 3.669 20 5 GHBDMO CC(C)(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000543208527 852810916 /nfs/dbraw/zinc/81/09/16/852810916.db2.gz GMXBQKOBPWBEIY-UHFFFAOYSA-N 1 1 376.478 3.669 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437184791 852844662 /nfs/dbraw/zinc/84/46/62/852844662.db2.gz DTVHMXOVGWYBKE-ZDUSSCGKSA-N 1 1 387.402 3.998 20 5 GHBDMO COc1cc(C[NH2+]C[C@H](c2ccccc2)N2CCC(C)CC2)c([N+](=O)[O-])cc1O ZINC000509564215 852967605 /nfs/dbraw/zinc/96/76/05/852967605.db2.gz PKGPHOWMYZXAQE-HXUWFJFHSA-N 1 1 399.491 3.872 20 5 GHBDMO COc1cc(C[N@@H+](C)CC2(O)CCCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000426217571 853061317 /nfs/dbraw/zinc/06/13/17/853061317.db2.gz VPSLRZOLHQRPMM-UHFFFAOYSA-N 1 1 388.411 3.722 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000139972639 853089463 /nfs/dbraw/zinc/08/94/63/853089463.db2.gz QVFIGBGDJAELGZ-CQSZACIVSA-N 1 1 398.488 3.780 20 5 GHBDMO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000519668597 853375671 /nfs/dbraw/zinc/37/56/71/853375671.db2.gz PCPRBWZIRLGWTM-SFHVURJKSA-N 1 1 389.402 3.715 20 5 GHBDMO C[N@@H+](CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000518521777 853468945 /nfs/dbraw/zinc/46/89/45/853468945.db2.gz HDCCGLMGVYWUKD-UHFFFAOYSA-N 1 1 376.844 3.892 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441020214 853836963 /nfs/dbraw/zinc/83/69/63/853836963.db2.gz MQYFNRUZJNSGLK-YWZLYKJASA-N 1 1 383.448 3.556 20 5 GHBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000571350824 853850586 /nfs/dbraw/zinc/85/05/86/853850586.db2.gz QHZFNXZQFKQCKY-IFXJQAMLSA-N 1 1 384.411 3.614 20 5 GHBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000571916966 854185895 /nfs/dbraw/zinc/18/58/95/854185895.db2.gz FTHCZSGCJHDBRD-MRXNPFEDSA-N 1 1 398.246 3.817 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000458891939 854469815 /nfs/dbraw/zinc/46/98/15/854469815.db2.gz SPJNOFSLCVSDFF-INIZCTEOSA-N 1 1 376.501 3.809 20 5 GHBDMO C[C@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458892939 854472938 /nfs/dbraw/zinc/47/29/38/854472938.db2.gz WAYKZHPIZMVPTK-LAUBAEHRSA-N 1 1 396.491 3.962 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000588982914 854628743 /nfs/dbraw/zinc/62/87/43/854628743.db2.gz PXSONSCVGFIUSY-OKILXGFUSA-N 1 1 385.386 3.537 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(OCCc3ccccc3)CC2)c1 ZINC000589497304 854909902 /nfs/dbraw/zinc/90/99/02/854909902.db2.gz NJYIAOXTVNMIDF-UHFFFAOYSA-N 1 1 398.459 3.605 20 5 GHBDMO CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000572732577 854957439 /nfs/dbraw/zinc/95/74/39/854957439.db2.gz IMBFFOWXWKETRB-UHFFFAOYSA-N 1 1 383.448 3.691 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589580698 855019856 /nfs/dbraw/zinc/01/98/56/855019856.db2.gz FXOVGWGLBFTBCA-DLBZAZTESA-N 1 1 398.438 3.720 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(Cl)cc1 ZINC000536370263 855154799 /nfs/dbraw/zinc/15/47/99/855154799.db2.gz KGHQVGYZAYIEGB-HNAYVOBHSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(Cl)cc1 ZINC000536370263 855154808 /nfs/dbraw/zinc/15/48/08/855154808.db2.gz KGHQVGYZAYIEGB-HNAYVOBHSA-N 1 1 398.850 3.905 20 5 GHBDMO CN(CC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000171707433 862659623 /nfs/dbraw/zinc/65/96/23/862659623.db2.gz HVODVTXCZPYWLE-UHFFFAOYSA-N 1 1 381.448 3.813 20 5 GHBDMO C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)c1cccc([N+](=O)[O-])c1 ZINC000590423886 855402207 /nfs/dbraw/zinc/40/22/07/855402207.db2.gz PWSIGOXBIBHXDF-ZDUSSCGKSA-N 1 1 378.432 3.555 20 5 GHBDMO C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)c1cccc([N+](=O)[O-])c1 ZINC000590423886 855402217 /nfs/dbraw/zinc/40/22/17/855402217.db2.gz PWSIGOXBIBHXDF-ZDUSSCGKSA-N 1 1 378.432 3.555 20 5 GHBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000123066148 855471877 /nfs/dbraw/zinc/47/18/77/855471877.db2.gz IWJDWFDJIZXURN-SFHVURJKSA-N 1 1 390.443 3.630 20 5 GHBDMO Cn1cc(-c2nc(C[N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)cs2)cn1 ZINC000590757327 855564992 /nfs/dbraw/zinc/56/49/92/855564992.db2.gz OFXQLFLGWSIUNZ-OAHLLOKOSA-N 1 1 383.477 3.831 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)Nc1cc(N2CC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000591029758 855726216 /nfs/dbraw/zinc/72/62/16/855726216.db2.gz KLTBOYYQXYVOGJ-JSJNYSNDSA-N 1 1 398.507 3.787 20 5 GHBDMO CC(C)Oc1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000591065936 855763217 /nfs/dbraw/zinc/76/32/17/855763217.db2.gz XJMDWQJHTXKKMN-LJQANCHMSA-N 1 1 397.475 3.729 20 5 GHBDMO CSc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000171355178 856102515 /nfs/dbraw/zinc/10/25/15/856102515.db2.gz YYBJTKSDYPRYQZ-QGZVFWFLSA-N 1 1 399.516 3.611 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000499427893 856209598 /nfs/dbraw/zinc/20/95/98/856209598.db2.gz NYBPXWXJFQXHDH-HZPDHXFCSA-N 1 1 392.459 3.811 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000499427893 856209604 /nfs/dbraw/zinc/20/96/04/856209604.db2.gz NYBPXWXJFQXHDH-HZPDHXFCSA-N 1 1 392.459 3.811 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000499439645 856331633 /nfs/dbraw/zinc/33/16/33/856331633.db2.gz XFBVQKPNXWZLID-QZTJIDSGSA-N 1 1 381.476 3.649 20 5 GHBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C2)C1 ZINC000568915401 856385730 /nfs/dbraw/zinc/38/57/30/856385730.db2.gz JDQOGQUEFZIINV-NRFANRHFSA-N 1 1 397.500 3.914 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001128745586 856409156 /nfs/dbraw/zinc/40/91/56/856409156.db2.gz PIAVCXMNNGRJPJ-OAHLLOKOSA-N 1 1 398.301 3.516 20 5 GHBDMO CCC[C@H]([NH2+]Cc1ccc(N2CCN(CC)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000159508384 862795101 /nfs/dbraw/zinc/79/51/01/862795101.db2.gz PXNXVESDKZBEDL-NRFANRHFSA-N 1 1 397.523 3.763 20 5 GHBDMO COC(=O)c1cc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc(C)c1[N+](=O)[O-] ZINC000301627225 856440190 /nfs/dbraw/zinc/44/01/90/856440190.db2.gz AARODRXAVGQBSE-CYBMUJFWSA-N 1 1 389.477 3.610 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC[N@H+]1C ZINC000485401981 856450671 /nfs/dbraw/zinc/45/06/71/856450671.db2.gz GLQJPZMDTJAVPT-HUUCEWRRSA-N 1 1 385.489 3.959 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265650731 856483215 /nfs/dbraw/zinc/48/32/15/856483215.db2.gz ODRALLMKGHLLGI-AWEZNQCLSA-N 1 1 394.903 3.526 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000542901243 856723525 /nfs/dbraw/zinc/72/35/25/856723525.db2.gz CNQARNITFIZJRJ-UHFFFAOYSA-N 1 1 399.438 3.780 20 5 GHBDMO C[C@]1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001270925113 856751653 /nfs/dbraw/zinc/75/16/53/856751653.db2.gz HDOQCTNYJZXTTR-RUCTVCJSSA-N 1 1 379.460 3.636 20 5 GHBDMO C[C@@]1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001270925114 856751772 /nfs/dbraw/zinc/75/17/72/856751772.db2.gz HDOQCTNYJZXTTR-RYGYDFEPSA-N 1 1 379.460 3.636 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000542915510 856787108 /nfs/dbraw/zinc/78/71/08/856787108.db2.gz OGLIDSHOPBTWAN-LZLYRXPVSA-N 1 1 393.528 3.943 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000245452188 856873679 /nfs/dbraw/zinc/87/36/79/856873679.db2.gz QDOGIOOWRBVTMQ-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000245452188 856873686 /nfs/dbraw/zinc/87/36/86/856873686.db2.gz QDOGIOOWRBVTMQ-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000485673026 856910571 /nfs/dbraw/zinc/91/05/71/856910571.db2.gz SBBXHXWYCNKGQI-DOMZBBRYSA-N 1 1 391.269 4.000 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](COCC4CC4)C3)s2)cc1 ZINC000485697516 856971854 /nfs/dbraw/zinc/97/18/54/856971854.db2.gz SRBMTBZTWWBMNP-GOSISDBHSA-N 1 1 388.489 3.951 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@H](COCC4CC4)C3)s2)cc1 ZINC000485697516 856971866 /nfs/dbraw/zinc/97/18/66/856971866.db2.gz SRBMTBZTWWBMNP-GOSISDBHSA-N 1 1 388.489 3.951 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000173576194 857002799 /nfs/dbraw/zinc/00/27/99/857002799.db2.gz VNDKNDGZQMUODE-SFHVURJKSA-N 1 1 375.469 3.655 20 5 GHBDMO CC(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592882454 857124926 /nfs/dbraw/zinc/12/49/26/857124926.db2.gz UNESZRBFZIEKPH-QUCCMNQESA-N 1 1 381.476 3.793 20 5 GHBDMO CC[C@@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000245738389 857155218 /nfs/dbraw/zinc/15/52/18/857155218.db2.gz LHQMGGKVOOXZFT-UXHICEINSA-N 1 1 382.464 3.608 20 5 GHBDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000428162591 857162852 /nfs/dbraw/zinc/16/28/52/857162852.db2.gz HMZXFDIANUFRPE-CQSZACIVSA-N 1 1 397.410 3.667 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1 ZINC000593029886 857185380 /nfs/dbraw/zinc/18/53/80/857185380.db2.gz ZMXUGGLKDKELKF-FPWFTKFVSA-N 1 1 390.480 3.533 20 5 GHBDMO COc1ccc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)nc1 ZINC000593041385 857195858 /nfs/dbraw/zinc/19/58/58/857195858.db2.gz MWXXKGVMICRBEW-HNNXBMFYSA-N 1 1 398.463 3.513 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000593075714 857336978 /nfs/dbraw/zinc/33/69/78/857336978.db2.gz RFYQESRRHGJWHM-LIRRHRJNSA-N 1 1 391.468 3.537 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593078834 857341697 /nfs/dbraw/zinc/34/16/97/857341697.db2.gz FBRIXAAPXBFZLS-GOSISDBHSA-N 1 1 399.466 3.647 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246590482 857411901 /nfs/dbraw/zinc/41/19/01/857411901.db2.gz SUKHAZNEXZRBLU-IEZWGBDMSA-N 1 1 386.496 3.623 20 5 GHBDMO Cc1cccc(C(=O)N2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000255170265 857548860 /nfs/dbraw/zinc/54/88/60/857548860.db2.gz RYNILWKRXHSGJK-YHYXMXQVSA-N 1 1 379.460 3.765 20 5 GHBDMO Cc1cccc(C(=O)N2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000255170265 857548869 /nfs/dbraw/zinc/54/88/69/857548869.db2.gz RYNILWKRXHSGJK-YHYXMXQVSA-N 1 1 379.460 3.765 20 5 GHBDMO C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486212875 857556880 /nfs/dbraw/zinc/55/68/80/857556880.db2.gz FQTJMVNJLPLTDD-SQGPQFPESA-N 1 1 396.491 3.866 20 5 GHBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000046403945 857681062 /nfs/dbraw/zinc/68/10/62/857681062.db2.gz OEFCBNDRDJVBFE-UHFFFAOYSA-N 1 1 388.855 3.642 20 5 GHBDMO COc1ccccc1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000058934247 857779054 /nfs/dbraw/zinc/77/90/54/857779054.db2.gz CKLKZQSMJXPBRN-HXUWFJFHSA-N 1 1 386.448 3.663 20 5 GHBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(C(F)(F)F)cc1 ZINC000027351640 857886076 /nfs/dbraw/zinc/88/60/76/857886076.db2.gz WRBUSPHDQAJELQ-UHFFFAOYSA-N 1 1 393.365 3.635 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(C(F)(F)F)cc1 ZINC000027351640 857886090 /nfs/dbraw/zinc/88/60/90/857886090.db2.gz WRBUSPHDQAJELQ-UHFFFAOYSA-N 1 1 393.365 3.635 20 5 GHBDMO CN(c1ccccc1)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000065957104 857897832 /nfs/dbraw/zinc/89/78/32/857897832.db2.gz CRFPSRCDIGEJSV-UHFFFAOYSA-N 1 1 383.448 3.562 20 5 GHBDMO CN(C)c1[nH+]ccc2cc(NC(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)ccc21 ZINC001129229666 857939468 /nfs/dbraw/zinc/93/94/68/857939468.db2.gz FVUMKRJVAHZFKQ-OALUTQOASA-N 1 1 376.416 3.951 20 5 GHBDMO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000499653450 858108305 /nfs/dbraw/zinc/10/83/05/858108305.db2.gz WNECXCBRENUXFD-UHFFFAOYSA-N 1 1 380.448 3.649 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000521598442 858160751 /nfs/dbraw/zinc/16/07/51/858160751.db2.gz MTDNYFNUJIZBPC-MRXNPFEDSA-N 1 1 382.464 3.877 20 5 GHBDMO COc1cc(C[NH2+]C[C@H](OC2CCCC2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000594965645 858348581 /nfs/dbraw/zinc/34/85/81/858348581.db2.gz BPAGYVLBCHSIPL-INIZCTEOSA-N 1 1 392.374 3.592 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(-n2nc(C)cc2C)nc1 ZINC000595010193 858349642 /nfs/dbraw/zinc/34/96/42/858349642.db2.gz IPUXMBMDPSPLFN-HNNXBMFYSA-N 1 1 381.436 3.652 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C)cc1O[C@H]1CCOC1 ZINC000595022284 858354070 /nfs/dbraw/zinc/35/40/70/858354070.db2.gz UHTIHKGLAIPEEU-YJBOKZPZSA-N 1 1 386.448 3.930 20 5 GHBDMO CC1(C)C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000595074800 858411503 /nfs/dbraw/zinc/41/15/03/858411503.db2.gz WUFQBDWGZNJJMY-DENIHFKCSA-N 1 1 395.503 3.674 20 5 GHBDMO Cc1noc(C[NH2+][C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000595454068 858536929 /nfs/dbraw/zinc/53/69/29/858536929.db2.gz IAGSSFSBYOGVIX-YJBOKZPZSA-N 1 1 396.850 3.997 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000046934514 858609052 /nfs/dbraw/zinc/60/90/52/858609052.db2.gz ZXIFCPHJXRPUAK-MRXNPFEDSA-N 1 1 383.448 3.844 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccsc1)C(C)(C)C ZINC000595600813 858627629 /nfs/dbraw/zinc/62/76/29/858627629.db2.gz KFRXVRBQSZNUCB-UHFFFAOYSA-N 1 1 377.466 3.904 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000595600813 858627631 /nfs/dbraw/zinc/62/76/31/858627631.db2.gz KFRXVRBQSZNUCB-UHFFFAOYSA-N 1 1 377.466 3.904 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)c1 ZINC000595770473 858665543 /nfs/dbraw/zinc/66/55/43/858665543.db2.gz WAUNVGDYDBWZFG-OAQYLSRUSA-N 1 1 394.431 3.817 20 5 GHBDMO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000595777673 858685445 /nfs/dbraw/zinc/68/54/45/858685445.db2.gz JBHMSFTZUUXFLB-CVEARBPZSA-N 1 1 386.452 3.861 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595789329 858687802 /nfs/dbraw/zinc/68/78/02/858687802.db2.gz LYCWRSNFXPJBKU-QGPMSJSTSA-N 1 1 386.452 3.987 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595833894 858703384 /nfs/dbraw/zinc/70/33/84/858703384.db2.gz SSEYMGOSLOACPG-UEXGIBASSA-N 1 1 395.459 3.551 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595833894 858703390 /nfs/dbraw/zinc/70/33/90/858703390.db2.gz SSEYMGOSLOACPG-UEXGIBASSA-N 1 1 395.459 3.551 20 5 GHBDMO COc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000596060532 858767434 /nfs/dbraw/zinc/76/74/34/858767434.db2.gz BCRAIGHWMLRKJD-UHFFFAOYSA-N 1 1 391.855 3.701 20 5 GHBDMO COC(=O)c1c(Cl)c(N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000596085959 858778886 /nfs/dbraw/zinc/77/88/86/858778886.db2.gz QJZWMUMJMAYJNM-UHFFFAOYSA-N 1 1 383.876 3.591 20 5 GHBDMO CC(C)(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1[N+](=O)[O-] ZINC000429262383 858850652 /nfs/dbraw/zinc/85/06/52/858850652.db2.gz IMYHIEFVDLQGBW-IBGZPJMESA-N 1 1 383.492 3.711 20 5 GHBDMO CC(C)([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1[N+](=O)[O-] ZINC000429262383 858850661 /nfs/dbraw/zinc/85/06/61/858850661.db2.gz IMYHIEFVDLQGBW-IBGZPJMESA-N 1 1 383.492 3.711 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1c[nH]c2ccccc12 ZINC000190490378 858862906 /nfs/dbraw/zinc/86/29/06/858862906.db2.gz GVOIRCHNVRXRDD-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1c[nH]c2ccccc12 ZINC000190490378 858862913 /nfs/dbraw/zinc/86/29/13/858862913.db2.gz GVOIRCHNVRXRDD-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000190490745 858864513 /nfs/dbraw/zinc/86/45/13/858864513.db2.gz HZWFCKBJJINVMM-AWEZNQCLSA-N 1 1 396.447 3.934 20 5 GHBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466281375 858954472 /nfs/dbraw/zinc/95/44/72/858954472.db2.gz REMMHOWCHVNKMM-KRWDZBQOSA-N 1 1 387.867 3.777 20 5 GHBDMO CCOc1ccccc1N1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170329520 881367733 /nfs/dbraw/zinc/36/77/33/881367733.db2.gz QJPMWBLKRHRNLX-KRWDZBQOSA-N 1 1 399.491 3.755 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000596829613 859112650 /nfs/dbraw/zinc/11/26/50/859112650.db2.gz VAYOAQGLPWPGOE-LLVKDONJSA-N 1 1 388.390 3.856 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000596900753 859137193 /nfs/dbraw/zinc/13/71/93/859137193.db2.gz VXMRTWAWHVGVAP-NSHDSACASA-N 1 1 399.289 3.599 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170355639 881399103 /nfs/dbraw/zinc/39/91/03/881399103.db2.gz NIXLXROAYCGLEF-LZWOXQAQSA-N 1 1 393.484 3.522 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C2CC2)c1 ZINC000474143453 859265353 /nfs/dbraw/zinc/26/53/53/859265353.db2.gz FEOSLCOZVFZUAA-UHFFFAOYSA-N 1 1 383.839 3.994 20 5 GHBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000597181482 859339768 /nfs/dbraw/zinc/33/97/68/859339768.db2.gz HJHSCPUJFZILPZ-JRCDZIRSSA-N 1 1 386.370 3.672 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1cccc([N+](=O)[O-])c1 ZINC000593323616 859405832 /nfs/dbraw/zinc/40/58/32/859405832.db2.gz RFPAWJFNODDDME-RXVVDRJESA-N 1 1 391.475 3.824 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1F ZINC000764510386 859476285 /nfs/dbraw/zinc/47/62/85/859476285.db2.gz WPJORBHNZZMWPP-AYHJJNSGSA-N 1 1 397.450 3.968 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000161056219 859525058 /nfs/dbraw/zinc/52/50/58/859525058.db2.gz VYLDDTFCCRDZDY-INIZCTEOSA-N 1 1 391.493 3.969 20 5 GHBDMO Cc1nn(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764860642 859641097 /nfs/dbraw/zinc/64/10/97/859641097.db2.gz LSMMZWLITZHQLC-UHFFFAOYSA-N 1 1 393.447 3.561 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000474233609 859658095 /nfs/dbraw/zinc/65/80/95/859658095.db2.gz ORLRXYZXOWILIU-IBGZPJMESA-N 1 1 383.448 3.996 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000474233609 859658099 /nfs/dbraw/zinc/65/80/99/859658099.db2.gz ORLRXYZXOWILIU-IBGZPJMESA-N 1 1 383.448 3.996 20 5 GHBDMO NC(=O)C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000611254274 859664963 /nfs/dbraw/zinc/66/49/63/859664963.db2.gz MMFHSFXBWKLBCR-UHFFFAOYSA-N 1 1 387.411 3.756 20 5 GHBDMO NC(=O)C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000611254274 859664966 /nfs/dbraw/zinc/66/49/66/859664966.db2.gz MMFHSFXBWKLBCR-UHFFFAOYSA-N 1 1 387.411 3.756 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597584000 859666623 /nfs/dbraw/zinc/66/66/23/859666623.db2.gz WJCJUYWCNHYBLD-SJORKVTESA-N 1 1 395.500 3.745 20 5 GHBDMO COc1cc(C[NH+]2CCC(c3cccnc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000611258329 859668282 /nfs/dbraw/zinc/66/82/82/859668282.db2.gz HEEYVAYVIYROGH-UHFFFAOYSA-N 1 1 393.390 3.979 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000602020052 859706774 /nfs/dbraw/zinc/70/67/74/859706774.db2.gz IOWKKVUECAYKPX-OXQOHEQNSA-N 1 1 377.448 3.607 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000611477422 859775198 /nfs/dbraw/zinc/77/51/98/859775198.db2.gz IOFFCBPVKKCERH-CABCVRRESA-N 1 1 377.510 3.844 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000765238459 859859494 /nfs/dbraw/zinc/85/94/94/859859494.db2.gz DEYBMNPOMOQFNS-QTXAWMFRSA-N 1 1 379.460 3.635 20 5 GHBDMO CCC[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171476 859861919 /nfs/dbraw/zinc/86/19/19/859861919.db2.gz NKWYHVPMKDKERV-FGZHOGPDSA-N 1 1 383.492 3.663 20 5 GHBDMO CCC[C@@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171476 859861930 /nfs/dbraw/zinc/86/19/30/859861930.db2.gz NKWYHVPMKDKERV-FGZHOGPDSA-N 1 1 383.492 3.663 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000765373090 859937753 /nfs/dbraw/zinc/93/77/53/859937753.db2.gz WBEYOKMKTGNNJU-MRXNPFEDSA-N 1 1 379.420 3.691 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000727138115 859946978 /nfs/dbraw/zinc/94/69/78/859946978.db2.gz PWLUUEIOAUGIBW-QGZVFWFLSA-N 1 1 377.485 3.716 20 5 GHBDMO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000252743781 860009663 /nfs/dbraw/zinc/00/96/63/860009663.db2.gz AUGJPFRARYYTAF-XLIONFOSSA-N 1 1 387.867 3.661 20 5 GHBDMO Cc1c(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000252743781 860009671 /nfs/dbraw/zinc/00/96/71/860009671.db2.gz AUGJPFRARYYTAF-XLIONFOSSA-N 1 1 387.867 3.661 20 5 GHBDMO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(Cl)c1 ZINC000301278634 860009927 /nfs/dbraw/zinc/00/99/27/860009927.db2.gz MZYKAIBFWRPXLC-UHFFFAOYSA-N 1 1 382.798 3.998 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000092453492 860051446 /nfs/dbraw/zinc/05/14/46/860051446.db2.gz GVMAHSGFJUSRAL-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000092453492 860051452 /nfs/dbraw/zinc/05/14/52/860051452.db2.gz GVMAHSGFJUSRAL-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO O=C([C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)N1CCCC1 ZINC000537628099 881500436 /nfs/dbraw/zinc/50/04/36/881500436.db2.gz GQHVBVKHNFOTPX-KRWDZBQOSA-N 1 1 383.448 3.689 20 5 GHBDMO CSc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598196114 860139943 /nfs/dbraw/zinc/13/99/43/860139943.db2.gz ZQFIQNIDIHQRIR-QGZVFWFLSA-N 1 1 399.516 3.706 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598221931 860166934 /nfs/dbraw/zinc/16/69/34/860166934.db2.gz YRKWQEUYCPWBBE-ZDUSSCGKSA-N 1 1 385.386 3.750 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1Br ZINC000602702061 860220351 /nfs/dbraw/zinc/22/03/51/860220351.db2.gz NIUQNQZTPFYMRI-MFKMUULPSA-N 1 1 375.288 3.810 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1Br ZINC000602702061 860220356 /nfs/dbraw/zinc/22/03/56/860220356.db2.gz NIUQNQZTPFYMRI-MFKMUULPSA-N 1 1 375.288 3.810 20 5 GHBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093420291 860269475 /nfs/dbraw/zinc/26/94/75/860269475.db2.gz PAFBRZWURFWXQU-CHWSQXEVSA-N 1 1 382.507 3.577 20 5 GHBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093420291 860269486 /nfs/dbraw/zinc/26/94/86/860269486.db2.gz PAFBRZWURFWXQU-CHWSQXEVSA-N 1 1 382.507 3.577 20 5 GHBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000124218867 860276246 /nfs/dbraw/zinc/27/62/46/860276246.db2.gz DULGUBTVFKQGCT-INIZCTEOSA-N 1 1 385.464 3.983 20 5 GHBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093754804 860343167 /nfs/dbraw/zinc/34/31/67/860343167.db2.gz BMHFKIPIWNIPLQ-OAHLLOKOSA-N 1 1 376.478 3.808 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598509162 860369880 /nfs/dbraw/zinc/36/98/80/860369880.db2.gz HBDQSLCMRVEXLU-HNNXBMFYSA-N 1 1 393.365 3.618 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598509162 860369884 /nfs/dbraw/zinc/36/98/84/860369884.db2.gz HBDQSLCMRVEXLU-HNNXBMFYSA-N 1 1 393.365 3.618 20 5 GHBDMO CCO[C@H](CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000552250122 860407852 /nfs/dbraw/zinc/40/78/52/860407852.db2.gz VNVJZOKQLSAPKD-UXHICEINSA-N 1 1 386.496 3.993 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1C ZINC001127937017 860454704 /nfs/dbraw/zinc/45/47/04/860454704.db2.gz VAXWNWDJMZTYNI-SFHVURJKSA-N 1 1 399.516 3.559 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1C ZINC001127937017 860454710 /nfs/dbraw/zinc/45/47/10/860454710.db2.gz VAXWNWDJMZTYNI-SFHVURJKSA-N 1 1 399.516 3.559 20 5 GHBDMO COc1ccc(NC(=O)CC[NH2+][C@H](C(F)F)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000598651019 860482663 /nfs/dbraw/zinc/48/26/63/860482663.db2.gz VIKKTGOWRXWGDC-KRWDZBQOSA-N 1 1 385.411 3.736 20 5 GHBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](COC)Cc1ccccc1 ZINC000552315070 860507937 /nfs/dbraw/zinc/50/79/37/860507937.db2.gz BTAYLBZTXUECSU-HXUWFJFHSA-N 1 1 386.448 3.541 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000494330252 881550661 /nfs/dbraw/zinc/55/06/61/881550661.db2.gz OENOFDYYYWGZKP-TZIWHRDSSA-N 1 1 395.459 3.530 20 5 GHBDMO CC[N@H+](C)Cc1cc(O[C@@H]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594060 881566350 /nfs/dbraw/zinc/56/63/50/881566350.db2.gz XVRORTFCDNHYAY-HRAATJIYSA-N 1 1 384.480 3.656 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594060 881566362 /nfs/dbraw/zinc/56/63/62/881566362.db2.gz XVRORTFCDNHYAY-HRAATJIYSA-N 1 1 384.480 3.656 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000125898661 860814905 /nfs/dbraw/zinc/81/49/05/860814905.db2.gz ACDQZGSXBXBZCR-UHFFFAOYSA-N 1 1 382.420 3.718 20 5 GHBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000156677466 860926583 /nfs/dbraw/zinc/92/65/83/860926583.db2.gz OPEHEQNPLJNJQX-ZDUSSCGKSA-N 1 1 383.433 3.603 20 5 GHBDMO COc1cc2c(cc1Cl)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000555742155 860932505 /nfs/dbraw/zinc/93/25/05/860932505.db2.gz LGPNSOLXVKHSMH-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO COc1cc2c(cc1Cl)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000555742155 860932524 /nfs/dbraw/zinc/93/25/24/860932524.db2.gz LGPNSOLXVKHSMH-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC4(CC3)C[C@H](O)c3ccccc3O4)c2c1 ZINC000896578194 861094401 /nfs/dbraw/zinc/09/44/01/861094401.db2.gz GYAYZRNNQHBAMI-FQEVSTJZSA-N 1 1 391.427 3.998 20 5 GHBDMO Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)c2cccc([N+](=O)[O-])c2n1 ZINC000302035737 861180420 /nfs/dbraw/zinc/18/04/20/861180420.db2.gz UNXXWHFXJWOYRV-UHFFFAOYSA-N 1 1 392.459 3.896 20 5 GHBDMO CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000522781277 863279672 /nfs/dbraw/zinc/27/96/72/863279672.db2.gz JAIBCFUTTLPWHC-LPHOPBHVSA-N 1 1 396.491 3.934 20 5 GHBDMO Cc1cn(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000734477965 864262986 /nfs/dbraw/zinc/26/29/86/864262986.db2.gz WNJVXIQDNWELPF-LPHOPBHVSA-N 1 1 392.459 3.691 20 5 GHBDMO Cc1cn(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000734477965 864262998 /nfs/dbraw/zinc/26/29/98/864262998.db2.gz WNJVXIQDNWELPF-LPHOPBHVSA-N 1 1 392.459 3.691 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897061953 864377890 /nfs/dbraw/zinc/37/78/90/864377890.db2.gz BTXNFEZNPYTUAU-OAHLLOKOSA-N 1 1 398.463 3.655 20 5 GHBDMO CCN1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1c1ncc[nH]1 ZINC000475354099 864844926 /nfs/dbraw/zinc/84/49/26/864844926.db2.gz XETDQIGIIPNQIZ-GOSISDBHSA-N 1 1 397.504 3.925 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000063587332 864990536 /nfs/dbraw/zinc/99/05/36/864990536.db2.gz PFXVIWKIVZCXPS-YWZLYKJASA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000063587332 864990544 /nfs/dbraw/zinc/99/05/44/864990544.db2.gz PFXVIWKIVZCXPS-YWZLYKJASA-N 1 1 383.448 3.694 20 5 GHBDMO C[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185011286 865111174 /nfs/dbraw/zinc/11/11/74/865111174.db2.gz HSZNCYPJGOYIAN-XHSDSOJGSA-N 1 1 379.476 3.712 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@@H](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000736589412 865243433 /nfs/dbraw/zinc/24/34/33/865243433.db2.gz FVHJWOBJNDBGSU-INIZCTEOSA-N 1 1 381.411 3.515 20 5 GHBDMO COc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000174248642 865619727 /nfs/dbraw/zinc/61/97/27/865619727.db2.gz BHRPMZIYOVFEGL-UHFFFAOYSA-N 1 1 387.392 3.555 20 5 GHBDMO CNc1ccc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000608964094 865861672 /nfs/dbraw/zinc/86/16/72/865861672.db2.gz JFOTWSCCBVNCDP-UHFFFAOYSA-N 1 1 396.491 3.621 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000481143529 865877482 /nfs/dbraw/zinc/87/74/82/865877482.db2.gz YLOCSHRGADFECD-UHFFFAOYSA-N 1 1 399.516 3.707 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000481230414 866065984 /nfs/dbraw/zinc/06/59/84/866065984.db2.gz OREOETPZHJUNQY-VQTJNVASSA-N 1 1 394.475 3.564 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741156897 866271357 /nfs/dbraw/zinc/27/13/57/866271357.db2.gz KKAXSJPMJPGEPP-ZDUSSCGKSA-N 1 1 383.876 3.937 20 5 GHBDMO CSc1cccc(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186660716 866554847 /nfs/dbraw/zinc/55/48/47/866554847.db2.gz RCFHNOYCMMBFQP-HNNXBMFYSA-N 1 1 387.505 3.957 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)co2)cc1 ZINC000186682446 866606167 /nfs/dbraw/zinc/60/61/67/866606167.db2.gz FDEFQMBAZMKZBQ-NRFANRHFSA-N 1 1 377.400 3.881 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)co2)cc1 ZINC000186682446 866606174 /nfs/dbraw/zinc/60/61/74/866606174.db2.gz FDEFQMBAZMKZBQ-NRFANRHFSA-N 1 1 377.400 3.881 20 5 GHBDMO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440485021 866962319 /nfs/dbraw/zinc/96/23/19/866962319.db2.gz HLIQVSYAIUBEIS-GXTWGEPZSA-N 1 1 378.379 3.839 20 5 GHBDMO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444688772 867067233 /nfs/dbraw/zinc/06/72/33/867067233.db2.gz LADPZKLUMUPWSS-GOSISDBHSA-N 1 1 396.447 3.952 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444707785 867096662 /nfs/dbraw/zinc/09/66/62/867096662.db2.gz PQEOQSSTALNBGP-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO COc1ccc(C2([NH2+]Cc3c(F)cccc3[N+](=O)[O-])CCOCC2)cc1F ZINC000444811819 867281087 /nfs/dbraw/zinc/28/10/87/867281087.db2.gz JFPIJVVDYXTCIK-UHFFFAOYSA-N 1 1 378.375 3.677 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)s1 ZINC000523443631 867324861 /nfs/dbraw/zinc/32/48/61/867324861.db2.gz ZXBUGBBVIACSEK-UHFFFAOYSA-N 1 1 375.494 3.545 20 5 GHBDMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)c2)C1 ZINC000857165385 882071659 /nfs/dbraw/zinc/07/16/59/882071659.db2.gz WQIYLYJRUXYCOR-OAHLLOKOSA-N 1 1 379.420 3.533 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)OCc1ccccc1 ZINC000793296194 882075499 /nfs/dbraw/zinc/07/54/99/882075499.db2.gz DUFGPOMAGKAORK-IBGZPJMESA-N 1 1 383.448 3.733 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000444895239 867454259 /nfs/dbraw/zinc/45/42/59/867454259.db2.gz BHAHWTLOPFNLBZ-ZBFHGGJFSA-N 1 1 384.436 3.560 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534863293 867665043 /nfs/dbraw/zinc/66/50/43/867665043.db2.gz HUPMCVPDXHFEDG-CQSZACIVSA-N 1 1 394.435 3.677 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000743069243 867818465 /nfs/dbraw/zinc/81/84/65/867818465.db2.gz ZMXQZGGCWRQSFU-INIZCTEOSA-N 1 1 388.855 3.986 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000026113656 868106440 /nfs/dbraw/zinc/10/64/40/868106440.db2.gz DZBVKFRXOWILBL-UHFFFAOYSA-N 1 1 397.475 3.892 20 5 GHBDMO Cc1c(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000479683902 868330529 /nfs/dbraw/zinc/33/05/29/868330529.db2.gz AGGVIVJZENBRCG-UZLBHIALSA-N 1 1 396.491 3.756 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000170821457 882185892 /nfs/dbraw/zinc/18/58/92/882185892.db2.gz ASZVUHKHDJAVDP-KRWDZBQOSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000170821457 882185896 /nfs/dbraw/zinc/18/58/96/882185896.db2.gz ASZVUHKHDJAVDP-KRWDZBQOSA-N 1 1 380.404 3.991 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N[C@H]3CC[N@H+](C4CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000524171133 868686596 /nfs/dbraw/zinc/68/65/96/868686596.db2.gz JOYFHEOVARCZOQ-KRWDZBQOSA-N 1 1 380.448 3.804 20 5 GHBDMO C[N@@H+](CCOc1cccc(CNc2ccc([N+](=O)[O-])s2)c1)C1CCOCC1 ZINC000609075214 868757953 /nfs/dbraw/zinc/75/79/53/868757953.db2.gz WMSUNRFMRMFSKK-UHFFFAOYSA-N 1 1 391.493 3.758 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000479958338 868770360 /nfs/dbraw/zinc/77/03/60/868770360.db2.gz IHPVGWYTOKLBRP-GOSISDBHSA-N 1 1 397.475 3.948 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000744420736 868805367 /nfs/dbraw/zinc/80/53/67/868805367.db2.gz QPZROOMGOIHFQA-SFHVURJKSA-N 1 1 391.855 3.551 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000744420736 868805383 /nfs/dbraw/zinc/80/53/83/868805383.db2.gz QPZROOMGOIHFQA-SFHVURJKSA-N 1 1 391.855 3.551 20 5 GHBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000744743457 869062608 /nfs/dbraw/zinc/06/26/08/869062608.db2.gz VFJKONISEQHWNI-OSCZDJLXSA-N 1 1 395.459 3.967 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000524459252 869081431 /nfs/dbraw/zinc/08/14/31/869081431.db2.gz LAVXVYXRLAZHQW-SFHVURJKSA-N 1 1 391.418 3.950 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000524459252 869081444 /nfs/dbraw/zinc/08/14/44/869081444.db2.gz LAVXVYXRLAZHQW-SFHVURJKSA-N 1 1 391.418 3.950 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[N@H+]1C1CC1 ZINC000440922674 869271308 /nfs/dbraw/zinc/27/13/08/869271308.db2.gz CWACZUIPMIZALW-GJZGRUSLSA-N 1 1 381.432 3.742 20 5 GHBDMO C[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1Cc1ccccc1 ZINC000524709356 869476501 /nfs/dbraw/zinc/47/65/01/869476501.db2.gz JSVYOQKYWLBKGH-MRXNPFEDSA-N 1 1 392.459 3.813 20 5 GHBDMO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000746137911 870070971 /nfs/dbraw/zinc/07/09/71/870070971.db2.gz HSYYEDWSXWGNBJ-KRWDZBQOSA-N 1 1 398.381 3.875 20 5 GHBDMO NC(=O)[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000130884263 870323680 /nfs/dbraw/zinc/32/36/80/870323680.db2.gz DJAKQTUCWZLUQE-GOSISDBHSA-N 1 1 385.420 3.779 20 5 GHBDMO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1Br ZINC000446851747 870543782 /nfs/dbraw/zinc/54/37/82/870543782.db2.gz KLYRBZRWUOTUQM-UHFFFAOYSA-N 1 1 375.226 3.832 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)CN1CCOCC1 ZINC000538750090 870564854 /nfs/dbraw/zinc/56/48/54/870564854.db2.gz ZVVGIFFAUCRNPY-UHFFFAOYSA-N 1 1 387.480 3.645 20 5 GHBDMO CNc1c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000462998431 870619482 /nfs/dbraw/zinc/61/94/82/870619482.db2.gz WGHXDHKJZLQZNU-ACJLOTCBSA-N 1 1 388.493 3.511 20 5 GHBDMO COc1cccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000195425154 882428900 /nfs/dbraw/zinc/42/89/00/882428900.db2.gz MIGJNYVALARJPO-MRXNPFEDSA-N 1 1 397.475 3.765 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H](C(N)=O)C1 ZINC000428461472 870828143 /nfs/dbraw/zinc/82/81/43/870828143.db2.gz OWONCWLQOIAAIK-MEDUHNTESA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H](C(N)=O)C1 ZINC000428461472 870828148 /nfs/dbraw/zinc/82/81/48/870828148.db2.gz OWONCWLQOIAAIK-MEDUHNTESA-N 1 1 377.828 3.594 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1cccs1 ZINC000525572832 870991646 /nfs/dbraw/zinc/99/16/46/870991646.db2.gz HLUDWVYGGNYTGK-KUHUBIRLSA-N 1 1 398.488 3.951 20 5 GHBDMO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC001169024473 871125899 /nfs/dbraw/zinc/12/58/99/871125899.db2.gz HFVCUHVYCWDZGT-UGKGYDQZSA-N 1 1 379.504 3.839 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)Cc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 ZINC000441230113 871237477 /nfs/dbraw/zinc/23/74/77/871237477.db2.gz JJGDLXCIFVSQNJ-UHFFFAOYSA-N 1 1 380.828 3.776 20 5 GHBDMO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000595290992 871286542 /nfs/dbraw/zinc/28/65/42/871286542.db2.gz VPPKEFHRGYLFGJ-UHFFFAOYSA-N 1 1 383.423 3.791 20 5 GHBDMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000595290992 871286564 /nfs/dbraw/zinc/28/65/64/871286564.db2.gz VPPKEFHRGYLFGJ-UHFFFAOYSA-N 1 1 383.423 3.791 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000463278545 871316283 /nfs/dbraw/zinc/31/62/83/871316283.db2.gz NRHYDYBQPCYADC-JXFKEZNVSA-N 1 1 396.491 3.650 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccco1 ZINC000181784759 871475261 /nfs/dbraw/zinc/47/52/61/871475261.db2.gz MQCQNRONGYANHY-ZDUSSCGKSA-N 1 1 386.330 3.631 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC23CCOCC3)cc1OC ZINC000618318281 871486856 /nfs/dbraw/zinc/48/68/56/871486856.db2.gz NTJPMFJXYNPEJH-HNNXBMFYSA-N 1 1 378.469 3.783 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC23CCOCC3)cc1OC ZINC000618318281 871486864 /nfs/dbraw/zinc/48/68/64/871486864.db2.gz NTJPMFJXYNPEJH-HNNXBMFYSA-N 1 1 378.469 3.783 20 5 GHBDMO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2c(cc1Br)OCCO2 ZINC000069787673 871534473 /nfs/dbraw/zinc/53/44/73/871534473.db2.gz OYXPWRPBKQIAFW-NSHDSACASA-N 1 1 393.237 3.979 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Br)OCCO2 ZINC000069787667 871534567 /nfs/dbraw/zinc/53/45/67/871534567.db2.gz QNNDIRNCQFXRSD-LLVKDONJSA-N 1 1 393.237 3.979 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC(F)F ZINC000539269200 871592850 /nfs/dbraw/zinc/59/28/50/871592850.db2.gz BLYUGPVZIGNPDF-SNVBAGLBSA-N 1 1 396.346 3.784 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC001194260613 871596507 /nfs/dbraw/zinc/59/65/07/871596507.db2.gz FQAJOHIBPYRYMS-GOSISDBHSA-N 1 1 391.830 3.667 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC001194260613 871596523 /nfs/dbraw/zinc/59/65/23/871596523.db2.gz FQAJOHIBPYRYMS-GOSISDBHSA-N 1 1 391.830 3.667 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169517757 871624725 /nfs/dbraw/zinc/62/47/25/871624725.db2.gz KQVDPFKOSHUTQL-HKUYNNGSSA-N 1 1 383.448 3.774 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462169512 871731097 /nfs/dbraw/zinc/73/10/97/871731097.db2.gz GZEYXDNYMBOOIS-BEFAXECRSA-N 1 1 399.516 3.957 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463445503 871759664 /nfs/dbraw/zinc/75/96/64/871759664.db2.gz DSWBTWIDTDTBLJ-OCCSQVGLSA-N 1 1 389.374 3.595 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463445503 871759674 /nfs/dbraw/zinc/75/96/74/871759674.db2.gz DSWBTWIDTDTBLJ-OCCSQVGLSA-N 1 1 389.374 3.595 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1OC ZINC001194747169 871906162 /nfs/dbraw/zinc/90/61/62/871906162.db2.gz ZOTUECHXQTWHGR-OAGGEKHMSA-N 1 1 379.501 3.553 20 5 GHBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001195021840 872106155 /nfs/dbraw/zinc/10/61/55/872106155.db2.gz ICSIADFJAKLUCX-PMACEKPBSA-N 1 1 388.489 3.637 20 5 GHBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001195021840 872106161 /nfs/dbraw/zinc/10/61/61/872106161.db2.gz ICSIADFJAKLUCX-PMACEKPBSA-N 1 1 388.489 3.637 20 5 GHBDMO Cc1cccc(NCCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])[nH+]1 ZINC000447668283 872111751 /nfs/dbraw/zinc/11/17/51/872111751.db2.gz BPKZNZXMVZTDSO-UHFFFAOYSA-N 1 1 391.300 3.871 20 5 GHBDMO CCOc1ccc(C2=CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000182332138 872209221 /nfs/dbraw/zinc/20/92/21/872209221.db2.gz KWYOINGMNXGVHR-IBGZPJMESA-N 1 1 398.459 3.523 20 5 GHBDMO CSc1ccc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000552262435 872319997 /nfs/dbraw/zinc/31/99/97/872319997.db2.gz WRYRYBLGUAISOO-IBGZPJMESA-N 1 1 382.489 3.972 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000478044977 872412906 /nfs/dbraw/zinc/41/29/06/872412906.db2.gz VTJGRKXBJGCMHM-UHFFFAOYSA-N 1 1 375.469 3.657 20 5 GHBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000448035782 872724909 /nfs/dbraw/zinc/72/49/09/872724909.db2.gz SIHZTXQAXLJZBT-LEWJYISDSA-N 1 1 394.475 3.603 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000619569431 872747626 /nfs/dbraw/zinc/74/76/26/872747626.db2.gz ANJLTHJGHGAYGT-DBVUQKKJSA-N 1 1 389.496 3.637 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000478317984 872862094 /nfs/dbraw/zinc/86/20/94/872862094.db2.gz VXDKNMFLJDXZLB-FQEVSTJZSA-N 1 1 399.516 3.714 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000619722901 872922038 /nfs/dbraw/zinc/92/20/38/872922038.db2.gz WEHFNDGPMXDLNY-AWEZNQCLSA-N 1 1 388.443 3.655 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000619722901 872922041 /nfs/dbraw/zinc/92/20/41/872922041.db2.gz WEHFNDGPMXDLNY-AWEZNQCLSA-N 1 1 388.443 3.655 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3nccc(C)c3[N+](=O)[O-])CC2)cs1 ZINC000301263724 873135726 /nfs/dbraw/zinc/13/57/26/873135726.db2.gz FWOKPZJALVAOKY-UHFFFAOYSA-N 1 1 375.498 3.641 20 5 GHBDMO C[N@H+](CC(=O)NCc1ccco1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000768194105 873161412 /nfs/dbraw/zinc/16/14/12/873161412.db2.gz OTEBDGNNVREGPH-UHFFFAOYSA-N 1 1 385.445 3.665 20 5 GHBDMO C[N@@H+](CC(=O)NCc1ccco1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000768194105 873161417 /nfs/dbraw/zinc/16/14/17/873161417.db2.gz OTEBDGNNVREGPH-UHFFFAOYSA-N 1 1 385.445 3.665 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H]1O ZINC000448359444 873260032 /nfs/dbraw/zinc/26/00/32/873260032.db2.gz MKBVQYYCEGOZBD-INIZCTEOSA-N 1 1 395.253 3.820 20 5 GHBDMO CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)nc1C ZINC001197403104 873771291 /nfs/dbraw/zinc/77/12/91/873771291.db2.gz NCICBJRZQVQHCI-GFCCVEGCSA-N 1 1 381.479 3.587 20 5 GHBDMO CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)nc1C ZINC001197403104 873771298 /nfs/dbraw/zinc/77/12/98/873771298.db2.gz NCICBJRZQVQHCI-GFCCVEGCSA-N 1 1 381.479 3.587 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000023230241 874015722 /nfs/dbraw/zinc/01/57/22/874015722.db2.gz XPJCJXCCSNRHKD-QGZVFWFLSA-N 1 1 391.855 3.680 20 5 GHBDMO COc1ccc2c(c1)CCC[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000609133841 874053870 /nfs/dbraw/zinc/05/38/70/874053870.db2.gz AOLKCFHSAVKUFB-UHFFFAOYSA-N 1 1 380.404 3.602 20 5 GHBDMO COc1ccc2c(c1)CCC[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000609133841 874053885 /nfs/dbraw/zinc/05/38/85/874053885.db2.gz AOLKCFHSAVKUFB-UHFFFAOYSA-N 1 1 380.404 3.602 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000475720274 882804222 /nfs/dbraw/zinc/80/42/22/882804222.db2.gz WGQSBKUJOCKKCP-AEFFLSMTSA-N 1 1 398.459 3.833 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475720277 882804529 /nfs/dbraw/zinc/80/45/29/882804529.db2.gz WGQSBKUJOCKKCP-WMZOPIPTSA-N 1 1 398.459 3.833 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000804396812 882811406 /nfs/dbraw/zinc/81/14/06/882811406.db2.gz JLCIIGNQDDDPBF-ZDUSSCGKSA-N 1 1 376.438 3.889 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775879772 874514875 /nfs/dbraw/zinc/51/48/75/874514875.db2.gz CRQHGQLQMZGADM-MRXNPFEDSA-N 1 1 396.491 3.867 20 5 GHBDMO COc1ccc([C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000449220688 874610727 /nfs/dbraw/zinc/61/07/27/874610727.db2.gz QTHCRWPDPIPVON-MGPUTAFESA-N 1 1 380.448 3.647 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000770376585 874617481 /nfs/dbraw/zinc/61/74/81/874617481.db2.gz WBACAANFQKQNHS-SUMWQHHRSA-N 1 1 394.313 3.806 20 5 GHBDMO Cc1ccc(CN2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1[N+](=O)[O-] ZINC000770395893 874646494 /nfs/dbraw/zinc/64/64/94/874646494.db2.gz WZQKMZFARWEDLQ-UHFFFAOYSA-N 1 1 398.463 3.828 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000475724246 882853251 /nfs/dbraw/zinc/85/32/51/882853251.db2.gz SEYAUHNWVKHROO-IBGZPJMESA-N 1 1 398.459 3.662 20 5 GHBDMO COc1ccc(C[N@@H+](C)CC(C)(C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000449412077 874839658 /nfs/dbraw/zinc/83/96/58/874839658.db2.gz BCGBZGLTXMPVLO-UHFFFAOYSA-N 1 1 388.464 3.633 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000449467347 874924041 /nfs/dbraw/zinc/92/40/41/874924041.db2.gz IWDLWEPGIGWBEK-POAQFYNOSA-N 1 1 386.448 3.989 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463027943 875046540 /nfs/dbraw/zinc/04/65/40/875046540.db2.gz ICTQLBACRRMMJL-QFIPXVFZSA-N 1 1 384.476 3.811 20 5 GHBDMO COc1cc(F)c([N+](=O)[O-])c(Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000771195652 875077037 /nfs/dbraw/zinc/07/70/37/875077037.db2.gz HIKZOSJJLAKOAR-ZDUSSCGKSA-N 1 1 375.400 3.879 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000542206104 875144721 /nfs/dbraw/zinc/14/47/21/875144721.db2.gz ORZHDFPVBXTEPC-SFHVURJKSA-N 1 1 388.851 3.777 20 5 GHBDMO Cc1cccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000465196631 875305103 /nfs/dbraw/zinc/30/51/03/875305103.db2.gz WNKKNDACULZGFY-OAHLLOKOSA-N 1 1 383.448 3.876 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000271808831 875501089 /nfs/dbraw/zinc/50/10/89/875501089.db2.gz MXJLJXSZMQVQSM-RXBISOJRSA-N 1 1 376.478 3.970 20 5 GHBDMO O=[N+]([O-])c1ccccc1CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868308 875731816 /nfs/dbraw/zinc/73/18/16/875731816.db2.gz SJUZFEWSMBNFLL-NRFANRHFSA-N 1 1 395.503 3.613 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000450348503 876299926 /nfs/dbraw/zinc/29/99/26/876299926.db2.gz LBVQUEBKIFLEKM-UHFFFAOYSA-N 1 1 397.475 3.585 20 5 GHBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000785963328 876368595 /nfs/dbraw/zinc/36/85/95/876368595.db2.gz UXSNBYNFPYXYEW-OAHLLOKOSA-N 1 1 398.246 3.817 20 5 GHBDMO Cc1nc(N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000450429166 876407317 /nfs/dbraw/zinc/40/73/17/876407317.db2.gz KRXYEZJEVZQRBH-DOTOQJQBSA-N 1 1 377.395 3.607 20 5 GHBDMO Cc1nc(N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000450429166 876407321 /nfs/dbraw/zinc/40/73/21/876407321.db2.gz KRXYEZJEVZQRBH-DOTOQJQBSA-N 1 1 377.395 3.607 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000787411106 877375719 /nfs/dbraw/zinc/37/57/19/877375719.db2.gz OTCGNNZJPAIYDT-ZAUCYTAASA-N 1 1 382.460 3.823 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000787411106 877375737 /nfs/dbraw/zinc/37/57/37/877375737.db2.gz OTCGNNZJPAIYDT-ZAUCYTAASA-N 1 1 382.460 3.823 20 5 GHBDMO C[NH+](C)[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000610090792 877386393 /nfs/dbraw/zinc/38/63/93/877386393.db2.gz VEKXEFVNZUEGMP-LJQANCHMSA-N 1 1 389.883 3.990 20 5 GHBDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451142059 877417069 /nfs/dbraw/zinc/41/70/69/877417069.db2.gz FHTUIXMCRRKKFE-OUCADQQQSA-N 1 1 385.386 3.535 20 5 GHBDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451142059 877417082 /nfs/dbraw/zinc/41/70/82/877417082.db2.gz FHTUIXMCRRKKFE-OUCADQQQSA-N 1 1 385.386 3.535 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451402958 877923490 /nfs/dbraw/zinc/92/34/90/877923490.db2.gz CLSZMCUNQLAMBW-VXGBXAGGSA-N 1 1 389.374 3.595 20 5 GHBDMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553210 878137216 /nfs/dbraw/zinc/13/72/16/878137216.db2.gz XVHVYCLTVPDDGY-NVXWUHKLSA-N 1 1 385.468 3.579 20 5 GHBDMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553210 878137222 /nfs/dbraw/zinc/13/72/22/878137222.db2.gz XVHVYCLTVPDDGY-NVXWUHKLSA-N 1 1 385.468 3.579 20 5 GHBDMO C[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580313 878191882 /nfs/dbraw/zinc/19/18/82/878191882.db2.gz TZWPZFKZUPNGOO-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580313 878191891 /nfs/dbraw/zinc/19/18/91/878191891.db2.gz TZWPZFKZUPNGOO-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000776582042 878199002 /nfs/dbraw/zinc/19/90/02/878199002.db2.gz OTDXDDJPVUETMM-RTBURBONSA-N 1 1 394.431 3.905 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000776582042 878199008 /nfs/dbraw/zinc/19/90/08/878199008.db2.gz OTDXDDJPVUETMM-RTBURBONSA-N 1 1 394.431 3.905 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]([NH2+][C@H]2COCC2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000451809742 878499386 /nfs/dbraw/zinc/49/93/86/878499386.db2.gz NLJQSZHDILEYGN-RBUKOAKNSA-N 1 1 383.448 3.598 20 5 GHBDMO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000180260056 878728056 /nfs/dbraw/zinc/72/80/56/878728056.db2.gz BPSJMTAARWDETJ-QGZVFWFLSA-N 1 1 379.819 3.973 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789363510 878896557 /nfs/dbraw/zinc/89/65/57/878896557.db2.gz LOGALBYBIRXSGR-CQSZACIVSA-N 1 1 385.420 3.753 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789363510 878896561 /nfs/dbraw/zinc/89/65/61/878896561.db2.gz LOGALBYBIRXSGR-CQSZACIVSA-N 1 1 385.420 3.753 20 5 GHBDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000789364262 878900756 /nfs/dbraw/zinc/90/07/56/878900756.db2.gz LBMZVBHKTUAORU-ZDUSSCGKSA-N 1 1 396.403 3.886 20 5 GHBDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000789364262 878900763 /nfs/dbraw/zinc/90/07/63/878900763.db2.gz LBMZVBHKTUAORU-ZDUSSCGKSA-N 1 1 396.403 3.886 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853509156 879073152 /nfs/dbraw/zinc/07/31/52/879073152.db2.gz QZRDABAKGWHRJS-LJQANCHMSA-N 1 1 393.447 3.829 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853509156 879073156 /nfs/dbraw/zinc/07/31/56/879073156.db2.gz QZRDABAKGWHRJS-LJQANCHMSA-N 1 1 393.447 3.829 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000285754097 912421602 /nfs/dbraw/zinc/42/16/02/912421602.db2.gz RUMMBNDYXSGLAV-HNNXBMFYSA-N 1 1 399.451 3.753 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761516108 879218887 /nfs/dbraw/zinc/21/88/87/879218887.db2.gz YYLOJNVXQPVIGI-OCCSQVGLSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@](F)(COC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000789775702 879268042 /nfs/dbraw/zinc/26/80/42/879268042.db2.gz ZGNODLHMDPYDPG-IIBYNOLFSA-N 1 1 386.423 3.856 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000617000102 879307468 /nfs/dbraw/zinc/30/74/68/879307468.db2.gz SOYAZKZTJYWMGY-OAHLLOKOSA-N 1 1 377.488 3.532 20 5 GHBDMO CCCn1cc[nH+]c1CCCN(C)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000790274394 879585632 /nfs/dbraw/zinc/58/56/32/879585632.db2.gz FKUPJKKUDROXQH-UHFFFAOYSA-N 1 1 394.859 3.710 20 5 GHBDMO CC(C)(C)OC(=O)NCCC[N@H+](Cc1cccnc1[N+](=O)[O-])CC1CCCC1 ZINC001170138319 879774892 /nfs/dbraw/zinc/77/48/92/879774892.db2.gz BZBSRMUUBDGHLC-UHFFFAOYSA-N 1 1 392.500 3.897 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1F ZINC000790549822 879807009 /nfs/dbraw/zinc/80/70/09/879807009.db2.gz CKAUKFWBJXPRNQ-FZKQIMNGSA-N 1 1 391.468 3.917 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000494005568 879810158 /nfs/dbraw/zinc/81/01/58/879810158.db2.gz ANGZYNVJPGAYDV-WMLDXEAASA-N 1 1 385.489 3.710 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CC[C@@](O)(c4ccc(F)cc4)C3)c2c1 ZINC000776765933 880163711 /nfs/dbraw/zinc/16/37/11/880163711.db2.gz FGKLWEGNSIFHFU-SFHVURJKSA-N 1 1 389.408 3.562 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@@](O)(c4ccc(F)cc4)C3)c2c1 ZINC000776765933 880163719 /nfs/dbraw/zinc/16/37/19/880163719.db2.gz FGKLWEGNSIFHFU-SFHVURJKSA-N 1 1 389.408 3.562 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000795710119 912595400 /nfs/dbraw/zinc/59/54/00/912595400.db2.gz KOLIYPLBTHRSJZ-QFIPXVFZSA-N 1 1 391.475 3.500 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791938902 880792261 /nfs/dbraw/zinc/79/22/61/880792261.db2.gz JRDUYWRMVAHWFF-RICGSNFLSA-N 1 1 391.471 3.589 20 5 GHBDMO Cc1ccc(N2CCC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1Br ZINC000804661063 883178635 /nfs/dbraw/zinc/17/86/35/883178635.db2.gz GQJYGUFGILZARQ-LBPRGKRZSA-N 1 1 379.258 3.783 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001129801076 883178654 /nfs/dbraw/zinc/17/86/54/883178654.db2.gz KTSSDUXMKXYNON-KRWDZBQOSA-N 1 1 383.448 3.942 20 5 GHBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442088 883193284 /nfs/dbraw/zinc/19/32/84/883193284.db2.gz KHHBKLUAJKHRQP-SFHVURJKSA-N 1 1 391.830 3.954 20 5 GHBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804811707 883372303 /nfs/dbraw/zinc/37/23/03/883372303.db2.gz ALLQRFQWIWLVOT-QFIPXVFZSA-N 1 1 379.460 3.900 20 5 GHBDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000609625751 883450245 /nfs/dbraw/zinc/45/02/45/883450245.db2.gz XXMFOFVOOTWVHE-LJQANCHMSA-N 1 1 383.448 3.941 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609784702 883678089 /nfs/dbraw/zinc/67/80/89/883678089.db2.gz RHSWVJDTDJQWCO-RHSMWYFYSA-N 1 1 387.867 3.742 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609784701 883678165 /nfs/dbraw/zinc/67/81/65/883678165.db2.gz RHSWVJDTDJQWCO-PBHICJAKSA-N 1 1 387.867 3.742 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000795750836 912784072 /nfs/dbraw/zinc/78/40/72/912784072.db2.gz FOHWSSBGUCDYEI-UHFFFAOYSA-N 1 1 391.859 3.602 20 5 GHBDMO CN(CCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Cc1ccco1 ZINC000795750836 912784083 /nfs/dbraw/zinc/78/40/83/912784083.db2.gz FOHWSSBGUCDYEI-UHFFFAOYSA-N 1 1 391.859 3.602 20 5 GHBDMO CN(CCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Cc1ccco1 ZINC000795750836 912784092 /nfs/dbraw/zinc/78/40/92/912784092.db2.gz FOHWSSBGUCDYEI-UHFFFAOYSA-N 1 1 391.859 3.602 20 5 GHBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC001130368819 884096603 /nfs/dbraw/zinc/09/66/03/884096603.db2.gz AVHCUBVGXNYIOA-XHSDSOJGSA-N 1 1 382.464 3.892 20 5 GHBDMO C[C@@]1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC001130393275 884104915 /nfs/dbraw/zinc/10/49/15/884104915.db2.gz JATSWWILXCSHBW-OAQYLSRUSA-N 1 1 379.416 3.735 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cc(F)ccc1N1CCC(O)CC1 ZINC001168475657 884404858 /nfs/dbraw/zinc/40/48/58/884404858.db2.gz OJTDCPYTDBPFHC-ZDUSSCGKSA-N 1 1 391.418 3.685 20 5 GHBDMO C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272215628 884616313 /nfs/dbraw/zinc/61/63/13/884616313.db2.gz BBSDUKUQADGFCI-HOCLYGCPSA-N 1 1 387.867 3.889 20 5 GHBDMO CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000762207728 885696581 /nfs/dbraw/zinc/69/65/81/885696581.db2.gz RWPBDCVJCWFZNX-MRXNPFEDSA-N 1 1 388.855 3.986 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000532484842 885814079 /nfs/dbraw/zinc/81/40/79/885814079.db2.gz PFXVIWKIVZCXPS-MGPUTAFESA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000532484842 885814085 /nfs/dbraw/zinc/81/40/85/885814085.db2.gz PFXVIWKIVZCXPS-MGPUTAFESA-N 1 1 383.448 3.694 20 5 GHBDMO C[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127504388 885931828 /nfs/dbraw/zinc/93/18/28/885931828.db2.gz FYECJJKRGQHQDG-APWZRJJASA-N 1 1 399.466 3.693 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000532573208 886143510 /nfs/dbraw/zinc/14/35/10/886143510.db2.gz DLTFPZMTNYOHIP-HIFRSBDPSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000532573208 886143524 /nfs/dbraw/zinc/14/35/24/886143524.db2.gz DLTFPZMTNYOHIP-HIFRSBDPSA-N 1 1 387.411 3.559 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCNc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000556893287 886484013 /nfs/dbraw/zinc/48/40/13/886484013.db2.gz SPFFCBWOTYKLEF-LJQANCHMSA-N 1 1 383.427 3.649 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)nc1 ZINC000556892260 886521874 /nfs/dbraw/zinc/52/18/74/886521874.db2.gz QMNTWPYNLIFRDF-GFCCVEGCSA-N 1 1 398.797 3.931 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)nc1 ZINC000556892260 886521881 /nfs/dbraw/zinc/52/18/81/886521881.db2.gz QMNTWPYNLIFRDF-GFCCVEGCSA-N 1 1 398.797 3.931 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000747530241 886764466 /nfs/dbraw/zinc/76/44/66/886764466.db2.gz SMMPVMBNYUJLCG-CYBMUJFWSA-N 1 1 381.448 3.859 20 5 GHBDMO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000153647962 887177514 /nfs/dbraw/zinc/17/75/14/887177514.db2.gz NBUPFLFJWNQXMK-GOSISDBHSA-N 1 1 382.464 3.589 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cnn(C)c2)cc1OC ZINC000542574735 887188518 /nfs/dbraw/zinc/18/85/18/887188518.db2.gz UMWOVYFZJGXNNB-ZIAGYGMSSA-N 1 1 376.457 3.613 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000532661189 887276684 /nfs/dbraw/zinc/27/66/84/887276684.db2.gz GVSLPYVUEZEXHC-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000532661189 887276698 /nfs/dbraw/zinc/27/66/98/887276698.db2.gz GVSLPYVUEZEXHC-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO CCN1CC[NH+](Cc2ccc(NCc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000864035754 887526960 /nfs/dbraw/zinc/52/69/60/887526960.db2.gz OSFJIDMCGLLLGD-UHFFFAOYSA-N 1 1 388.899 3.998 20 5 GHBDMO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272489188 887578741 /nfs/dbraw/zinc/57/87/41/887578741.db2.gz DNXQHDTYFALGSY-YSGRDPCXSA-N 1 1 380.448 3.520 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000272520470 887617505 /nfs/dbraw/zinc/61/75/05/887617505.db2.gz LBKCVDMFGVGXIM-IBGZPJMESA-N 1 1 397.504 3.585 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC001131841937 887713226 /nfs/dbraw/zinc/71/32/26/887713226.db2.gz CRHGYVHGDFRRQV-MRXNPFEDSA-N 1 1 392.459 3.524 20 5 GHBDMO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272545656 887714222 /nfs/dbraw/zinc/71/42/22/887714222.db2.gz QBBOWHCHAZCVBQ-SKDZVZGDSA-N 1 1 386.477 3.581 20 5 GHBDMO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272545654 887717324 /nfs/dbraw/zinc/71/73/24/887717324.db2.gz QBBOWHCHAZCVBQ-RPVQJOFSSA-N 1 1 386.477 3.581 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCOCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272586874 887893638 /nfs/dbraw/zinc/89/36/38/887893638.db2.gz ZHWSACWEJZVTSI-OAQYLSRUSA-N 1 1 394.475 3.657 20 5 GHBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000809968523 888010112 /nfs/dbraw/zinc/01/01/12/888010112.db2.gz DGCHXFSVHNZHOQ-HOCLYGCPSA-N 1 1 399.278 3.723 20 5 GHBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000809968523 888010125 /nfs/dbraw/zinc/01/01/25/888010125.db2.gz DGCHXFSVHNZHOQ-HOCLYGCPSA-N 1 1 399.278 3.723 20 5 GHBDMO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272695816 888424901 /nfs/dbraw/zinc/42/49/01/888424901.db2.gz HRAWAOBMCBMTJY-STQMWFEESA-N 1 1 399.413 3.996 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCc2ccccc21 ZINC000729684801 888625899 /nfs/dbraw/zinc/62/58/99/888625899.db2.gz HDZIYKWBQUZYIJ-UHFFFAOYSA-N 1 1 377.400 3.534 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000301131221 888836271 /nfs/dbraw/zinc/83/62/71/888836271.db2.gz YRROPBVUGGKXNG-ZDUSSCGKSA-N 1 1 376.438 3.889 20 5 GHBDMO C[C@@]([NH3+])(C(=O)Nc1cccc(CCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000867952269 889235499 /nfs/dbraw/zinc/23/54/99/889235499.db2.gz WICRHCROPVCOMH-KRWDZBQOSA-N 1 1 381.354 3.902 20 5 GHBDMO Cc1ccccc1[C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000533264799 890165186 /nfs/dbraw/zinc/16/51/86/890165186.db2.gz PZVOOZRTRITVMD-INIZCTEOSA-N 1 1 381.432 3.691 20 5 GHBDMO COc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000455108573 890359966 /nfs/dbraw/zinc/35/99/66/890359966.db2.gz UQYDKECFENCMGW-INIZCTEOSA-N 1 1 398.463 3.589 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000533438727 890517889 /nfs/dbraw/zinc/51/78/89/890517889.db2.gz NFJIWBXVIHRJNF-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO Cc1ccc(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC000812770747 890969080 /nfs/dbraw/zinc/96/90/80/890969080.db2.gz RDEQAGKZABLYIA-UHFFFAOYSA-N 1 1 375.469 3.879 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833303 891016310 /nfs/dbraw/zinc/01/63/10/891016310.db2.gz HIUGLDZUOBZQTF-INIZCTEOSA-N 1 1 383.876 3.983 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833303 891016326 /nfs/dbraw/zinc/01/63/26/891016326.db2.gz HIUGLDZUOBZQTF-INIZCTEOSA-N 1 1 383.876 3.983 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(Cc2ccccc2)CC1 ZINC000813171020 891328104 /nfs/dbraw/zinc/32/81/04/891328104.db2.gz BYERVWRZRAMAPE-FQEVSTJZSA-N 1 1 380.444 3.735 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(Cc2ccccc2)CC1 ZINC000813171020 891328122 /nfs/dbraw/zinc/32/81/22/891328122.db2.gz BYERVWRZRAMAPE-FQEVSTJZSA-N 1 1 380.444 3.735 20 5 GHBDMO O=C(Cc1cccc(C(F)F)c1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173737 891335707 /nfs/dbraw/zinc/33/57/07/891335707.db2.gz HXLQGWBIOXEUJJ-SFHVURJKSA-N 1 1 390.386 3.893 20 5 GHBDMO O=C(Cc1cccc(C(F)F)c1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173737 891335724 /nfs/dbraw/zinc/33/57/24/891335724.db2.gz HXLQGWBIOXEUJJ-SFHVURJKSA-N 1 1 390.386 3.893 20 5 GHBDMO C[N@H+]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](c2ccccc2)C1 ZINC000497414250 891532042 /nfs/dbraw/zinc/53/20/42/891532042.db2.gz DBTJEONQURLOFN-IAGOWNOFSA-N 1 1 381.457 3.637 20 5 GHBDMO Cc1ccc(N2CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 ZINC000917211937 891631513 /nfs/dbraw/zinc/63/15/13/891631513.db2.gz OLZCSCVXBVGUKD-UHFFFAOYSA-N 1 1 393.447 3.666 20 5 GHBDMO Cc1ccc(N2CCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 ZINC000917211937 891631521 /nfs/dbraw/zinc/63/15/21/891631521.db2.gz OLZCSCVXBVGUKD-UHFFFAOYSA-N 1 1 393.447 3.666 20 5 GHBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001133923352 891983580 /nfs/dbraw/zinc/98/35/80/891983580.db2.gz ITJZHLJQVZWYLB-CYBMUJFWSA-N 1 1 391.880 3.833 20 5 GHBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001133923352 891983589 /nfs/dbraw/zinc/98/35/89/891983589.db2.gz ITJZHLJQVZWYLB-CYBMUJFWSA-N 1 1 391.880 3.833 20 5 GHBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174845125 892076965 /nfs/dbraw/zinc/07/69/65/892076965.db2.gz XTTQDXKDDIKWJY-UHFFFAOYSA-N 1 1 375.856 3.972 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174845125 892076982 /nfs/dbraw/zinc/07/69/82/892076982.db2.gz XTTQDXKDDIKWJY-UHFFFAOYSA-N 1 1 375.856 3.972 20 5 GHBDMO Cc1c(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933341770 893011016 /nfs/dbraw/zinc/01/10/16/893011016.db2.gz RWMGHEXIGZWGIY-NWDGAFQWSA-N 1 1 386.374 3.670 20 5 GHBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC000933342651 893011055 /nfs/dbraw/zinc/01/10/55/893011055.db2.gz FHDHACMETOWURZ-UHFFFAOYSA-N 1 1 399.373 3.981 20 5 GHBDMO Cc1c(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933341769 893011120 /nfs/dbraw/zinc/01/11/20/893011120.db2.gz RWMGHEXIGZWGIY-NEPJUHHUSA-N 1 1 386.374 3.670 20 5 GHBDMO CCOc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000428665783 893145607 /nfs/dbraw/zinc/14/56/07/893145607.db2.gz FVSVMBSNHSFQLK-IBGZPJMESA-N 1 1 385.464 3.697 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000533830585 893193058 /nfs/dbraw/zinc/19/30/58/893193058.db2.gz HCXYTQDOUASOSP-GOSISDBHSA-N 1 1 397.475 3.736 20 5 GHBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000536660699 893469188 /nfs/dbraw/zinc/46/91/88/893469188.db2.gz DTFWEDJRBBFNPO-QGZVFWFLSA-N 1 1 395.253 3.964 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555881 893995066 /nfs/dbraw/zinc/99/50/66/893995066.db2.gz JNKHWWXAHSVBEA-ZACQAIPSSA-N 1 1 398.507 3.637 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878137355 894045076 /nfs/dbraw/zinc/04/50/76/894045076.db2.gz SWHWRGQWAUHRSD-AWEZNQCLSA-N 1 1 382.420 3.716 20 5 GHBDMO Nc1nccc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)n1 ZINC000563778683 894181884 /nfs/dbraw/zinc/18/18/84/894181884.db2.gz VVUAZTTYAPYZLR-AWEZNQCLSA-N 1 1 395.488 3.905 20 5 GHBDMO COc1cc(C[N@@H+]2CCC=C(c3cccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000563779629 894183483 /nfs/dbraw/zinc/18/34/83/894183483.db2.gz VSNIBIDENIRASG-UHFFFAOYSA-N 1 1 391.374 3.889 20 5 GHBDMO COc1cc(C[N@H+]2CCC=C(c3cccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000563779629 894183484 /nfs/dbraw/zinc/18/34/84/894183484.db2.gz VSNIBIDENIRASG-UHFFFAOYSA-N 1 1 391.374 3.889 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH+]2CCC([C@H]3CCOC3)CC2)o1 ZINC000878403271 894263581 /nfs/dbraw/zinc/26/35/81/894263581.db2.gz YVZPKPZVNUCPQM-ZDUSSCGKSA-N 1 1 392.843 3.547 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cc1 ZINC000774883964 913887132 /nfs/dbraw/zinc/88/71/32/913887132.db2.gz FVZYNXUVIPRDEB-INIZCTEOSA-N 1 1 385.420 3.966 20 5 GHBDMO Cc1c(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000564676216 895172200 /nfs/dbraw/zinc/17/22/00/895172200.db2.gz ORWDDPIFLWWYKG-PMACEKPBSA-N 1 1 389.883 3.718 20 5 GHBDMO Cn1cc([C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2(C)C)cn1 ZINC000565167934 895435335 /nfs/dbraw/zinc/43/53/35/895435335.db2.gz ALNCQZPTSJNSJX-SFHVURJKSA-N 1 1 395.463 3.651 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000566889809 896672446 /nfs/dbraw/zinc/67/24/46/896672446.db2.gz PHMXZRXPLNDZRZ-CYBMUJFWSA-N 1 1 382.395 3.648 20 5 GHBDMO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001185818882 914127825 /nfs/dbraw/zinc/12/78/25/914127825.db2.gz FFJOAICZYFGVKO-FUDJQYAWSA-N 1 1 399.422 3.777 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000823605423 899129179 /nfs/dbraw/zinc/12/91/79/899129179.db2.gz KJVYIWGTJYEJFS-KRWDZBQOSA-N 1 1 379.254 3.697 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000570132498 899145657 /nfs/dbraw/zinc/14/56/57/899145657.db2.gz XEQJJXSGOHXOKZ-HNNXBMFYSA-N 1 1 382.464 3.726 20 5 GHBDMO COc1cc(C[NH2+][C@H]2CCn3ccnc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000824521791 899658185 /nfs/dbraw/zinc/65/81/85/899658185.db2.gz OIWSCDGIBXCATQ-SFHVURJKSA-N 1 1 394.431 3.614 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(F)ccc3Br)CC2)n1 ZINC000332477511 899697470 /nfs/dbraw/zinc/69/74/70/899697470.db2.gz XHWTYSCNILPPHL-UHFFFAOYSA-N 1 1 383.221 3.530 20 5 GHBDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000332543293 899750742 /nfs/dbraw/zinc/75/07/42/899750742.db2.gz YNGYAUMXRGAUCX-UHFFFAOYSA-N 1 1 379.888 3.909 20 5 GHBDMO Cc1ccc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000571928271 900011273 /nfs/dbraw/zinc/01/12/73/900011273.db2.gz AFFMVGRHQYJFOO-RTBURBONSA-N 1 1 394.475 3.889 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843850969 900248116 /nfs/dbraw/zinc/24/81/16/900248116.db2.gz VVVDRTYVWKQWOT-NVXWUHKLSA-N 1 1 385.439 3.683 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000573219530 900418279 /nfs/dbraw/zinc/41/82/79/900418279.db2.gz FLSUUBDASIBNQZ-HXUWFJFHSA-N 1 1 392.459 3.749 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000844442193 900863691 /nfs/dbraw/zinc/86/36/91/900863691.db2.gz WTSVASCWWRQZHY-MRXNPFEDSA-N 1 1 392.349 3.869 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000844442193 900863695 /nfs/dbraw/zinc/86/36/95/900863695.db2.gz WTSVASCWWRQZHY-MRXNPFEDSA-N 1 1 392.349 3.869 20 5 GHBDMO C[N@H+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@H](Cc2ccccc2)C1 ZINC000844742053 901220671 /nfs/dbraw/zinc/22/06/71/901220671.db2.gz NAWUGWPOEIRQDB-QGZVFWFLSA-N 1 1 398.488 3.688 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000845514791 902223794 /nfs/dbraw/zinc/22/37/94/902223794.db2.gz WZZQTAOLBNGYKD-CQSZACIVSA-N 1 1 379.819 3.566 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000845733423 902354066 /nfs/dbraw/zinc/35/40/66/902354066.db2.gz APTQMCJRUUFPGK-CQSZACIVSA-N 1 1 375.450 3.748 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000578469582 903874486 /nfs/dbraw/zinc/87/44/86/903874486.db2.gz QAWZPEMNBBJYRF-XLWVJDPXSA-N 1 1 390.465 3.757 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000578469582 903874495 /nfs/dbraw/zinc/87/44/95/903874495.db2.gz QAWZPEMNBBJYRF-XLWVJDPXSA-N 1 1 390.465 3.757 20 5 GHBDMO CC(C)(C)OC(=O)N1CC([N@@H+](CCc2ccc([N+](=O)[O-])cc2)C2CCC2)C1 ZINC001171827551 905041618 /nfs/dbraw/zinc/04/16/18/905041618.db2.gz SSDCQHQJPYKSOE-UHFFFAOYSA-N 1 1 375.469 3.611 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC001171906320 905136959 /nfs/dbraw/zinc/13/69/59/905136959.db2.gz JVHGOZRLPISDOE-HNNXBMFYSA-N 1 1 397.475 3.766 20 5 GHBDMO O=C(c1cc2ccccc2c2cccnc12)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000627738916 905736497 /nfs/dbraw/zinc/73/64/97/905736497.db2.gz MRRTYJUWGRJKIG-UHFFFAOYSA-N 1 1 389.499 3.715 20 5 GHBDMO 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O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@@H](c4ccncc4)C3)CC2)c(F)c1 ZINC001173013376 906090786 /nfs/dbraw/zinc/09/07/86/906090786.db2.gz RKHSLUBFRTUTKY-OAHLLOKOSA-N 1 1 388.418 3.726 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCC[C@H](C(F)F)C3)CC2)c(F)c1 ZINC001173018262 906095679 /nfs/dbraw/zinc/09/56/79/906095679.db2.gz QQGHMAVTTAFNQJ-NSHDSACASA-N 1 1 375.366 3.819 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2)c1F ZINC001173189583 906270308 /nfs/dbraw/zinc/27/03/08/906270308.db2.gz LBBUOIXOKVIMIS-ZDUSSCGKSA-N 1 1 392.427 3.823 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CCC(=O)c2cccs2)c1F ZINC001173193473 906277498 /nfs/dbraw/zinc/27/74/98/906277498.db2.gz SKGSNYZXATVSJE-LBPRGKRZSA-N 1 1 380.441 3.940 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173222095 906299319 /nfs/dbraw/zinc/29/93/19/906299319.db2.gz PCNJYFGPLFDMJU-RDJZCZTQSA-N 1 1 377.485 3.905 20 5 GHBDMO 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COC[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000181699500 907057985 /nfs/dbraw/zinc/05/79/85/907057985.db2.gz JTSLYXHVNVYFPY-AWEZNQCLSA-N 1 1 382.363 3.682 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192247136 907565833 /nfs/dbraw/zinc/56/58/33/907565833.db2.gz MJVHCSAWIAFATE-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192247136 907565848 /nfs/dbraw/zinc/56/58/48/907565848.db2.gz MJVHCSAWIAFATE-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC001176813642 908264554 /nfs/dbraw/zinc/26/45/54/908264554.db2.gz GLAQWPCXYDYKQJ-AUUYWEPGSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CC[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC001176813642 908264564 /nfs/dbraw/zinc/26/45/64/908264564.db2.gz GLAQWPCXYDYKQJ-AUUYWEPGSA-N 1 1 379.432 3.613 20 5 GHBDMO Cc1nc(C)n(CC(=O)Nc2cc3[nH+]c4cc(N(C)C)ccc4cc3cc2C)n1 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IXXMINXOFTVQGD-UHFFFAOYSA-N 1 1 396.285 3.781 20 5 GHBDMO CC(C)CC[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000795408402 910246255 /nfs/dbraw/zinc/24/62/55/910246255.db2.gz IXXMINXOFTVQGD-UHFFFAOYSA-N 1 1 396.285 3.781 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)C(=O)Cc1ccccc1 ZINC001181377744 910735625 /nfs/dbraw/zinc/73/56/25/910735625.db2.gz ITBKYUHXKXMGTQ-UHFFFAOYSA-N 1 1 399.450 3.707 20 5 GHBDMO C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000795613961 911440574 /nfs/dbraw/zinc/44/05/74/911440574.db2.gz FVBPVYKGTGSFMO-IEZWGBDMSA-N 1 1 392.887 3.961 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000802007705 921743199 /nfs/dbraw/zinc/74/31/99/921743199.db2.gz CKRIHLCLAUMVNT-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000802007705 921743209 /nfs/dbraw/zinc/74/32/09/921743209.db2.gz CKRIHLCLAUMVNT-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO CCOC(=O)CCNC(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001187222290 915131013 /nfs/dbraw/zinc/13/10/13/915131013.db2.gz GCJNHZNEQDINAV-UHFFFAOYSA-N 1 1 394.475 3.837 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000802011402 921755480 /nfs/dbraw/zinc/75/54/80/921755480.db2.gz PODKSFFVNVQMPP-OAQYLSRUSA-N 1 1 389.496 3.860 20 5 GHBDMO Cc1cc(N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)c(F)cc1[N+](=O)[O-] ZINC001187429933 915286422 /nfs/dbraw/zinc/28/64/22/915286422.db2.gz GLJKYLKWYMJWOG-VGSWGCGISA-N 1 1 399.466 3.912 20 5 GHBDMO CCn1c(SCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001188907779 916292533 /nfs/dbraw/zinc/29/25/33/916292533.db2.gz QJTDABQZRYSQQS-GASCZTMLSA-N 1 1 389.525 3.943 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCOc1cccc([N+](=O)[O-])c1 ZINC001190770371 917555111 /nfs/dbraw/zinc/55/51/11/917555111.db2.gz PSUAZSJPLXSUNU-UHFFFAOYSA-N 1 1 380.448 3.928 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001191427771 917998515 /nfs/dbraw/zinc/99/85/15/917998515.db2.gz PXFQFBOXASXRHN-UHFFFAOYSA-N 1 1 393.484 3.695 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001191427771 917998522 /nfs/dbraw/zinc/99/85/22/917998522.db2.gz PXFQFBOXASXRHN-UHFFFAOYSA-N 1 1 393.484 3.695 20 5 GHBDMO CN(C)[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000113311255 919366760 /nfs/dbraw/zinc/36/67/60/919366760.db2.gz OZNYOASPHGDJCK-FQEVSTJZSA-N 1 1 396.516 3.981 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCS[C@H](c4ccccc4)C3)o2)cc1 ZINC000364567180 919648091 /nfs/dbraw/zinc/64/80/91/919648091.db2.gz YLSHEZWJBHHEFN-KRWDZBQOSA-N 1 1 382.445 3.935 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCS[C@H](c4ccccc4)C3)o2)cc1 ZINC000364567180 919648102 /nfs/dbraw/zinc/64/81/02/919648102.db2.gz YLSHEZWJBHHEFN-KRWDZBQOSA-N 1 1 382.445 3.935 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000800866394 920545286 /nfs/dbraw/zinc/54/52/86/920545286.db2.gz GNBPZMNYQRFJIP-BJWYYQGGSA-N 1 1 379.416 3.871 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000800866394 920545297 /nfs/dbraw/zinc/54/52/97/920545297.db2.gz GNBPZMNYQRFJIP-BJWYYQGGSA-N 1 1 379.416 3.871 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)C1 ZINC000801523688 921096005 /nfs/dbraw/zinc/09/60/05/921096005.db2.gz FMZCVLOIIJIBOA-OAHLLOKOSA-N 1 1 379.432 3.708 20 5 GHBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000801525467 921096516 /nfs/dbraw/zinc/09/65/16/921096516.db2.gz KZLZSVFSVYAUOK-GDBMZVCRSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000801525467 921096530 /nfs/dbraw/zinc/09/65/30/921096530.db2.gz KZLZSVFSVYAUOK-GDBMZVCRSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000409982235 925206575 /nfs/dbraw/zinc/20/65/75/925206575.db2.gz VQXGBKSTJDRPNL-MRXNPFEDSA-N 1 1 382.464 3.800 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)c(F)c1 ZINC000726605024 926758423 /nfs/dbraw/zinc/75/84/23/926758423.db2.gz GLYJIBSNNZFOPC-UHFFFAOYSA-N 1 1 387.342 3.861 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000412214773 927216138 /nfs/dbraw/zinc/21/61/38/927216138.db2.gz GTEPXHZNOVSPIG-MTQWCTHYSA-N 1 1 399.878 3.913 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000412214773 927216144 /nfs/dbraw/zinc/21/61/44/927216144.db2.gz GTEPXHZNOVSPIG-MTQWCTHYSA-N 1 1 399.878 3.913 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@](CO)(c4ccccc4)C3)co2)cc1 ZINC000374557299 927280255 /nfs/dbraw/zinc/28/02/55/927280255.db2.gz PUCYYQJOMFPXTL-QFIPXVFZSA-N 1 1 393.443 3.776 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749802148 927283064 /nfs/dbraw/zinc/28/30/64/927283064.db2.gz LGHNRPRRVDCIFK-UHFFFAOYSA-N 1 1 393.484 3.871 20 5 GHBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000751088747 928023487 /nfs/dbraw/zinc/02/34/87/928023487.db2.gz FBENFIYHOJCCOJ-HXUWFJFHSA-N 1 1 399.466 3.937 20 5 GHBDMO O=[N+]([O-])c1ccc2ccnc(NCc3ccc(C[NH+]4CCOCC4)cc3)c2c1 ZINC000413045552 928137440 /nfs/dbraw/zinc/13/74/40/928137440.db2.gz YNBUYCHQRKEDNG-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)o2)c1 ZINC000375472659 928342280 /nfs/dbraw/zinc/34/22/80/928342280.db2.gz UEPKMQUYUFHXND-OAHLLOKOSA-N 1 1 395.419 3.542 20 5 GHBDMO CC(C)C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000544060144 928751871 /nfs/dbraw/zinc/75/18/71/928751871.db2.gz RITHAIRBAJANKE-UHFFFAOYSA-N 1 1 376.478 3.527 20 5 GHBDMO CC(C)C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000544060144 928751879 /nfs/dbraw/zinc/75/18/79/928751879.db2.gz RITHAIRBAJANKE-UHFFFAOYSA-N 1 1 376.478 3.527 20 5 GHBDMO COc1cc(C[N@@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000467375368 929013008 /nfs/dbraw/zinc/01/30/08/929013008.db2.gz CZMDLCMBNNZKSI-CYBMUJFWSA-N 1 1 392.374 3.545 20 5 GHBDMO C[NH+](C)Cc1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000467764115 929384298 /nfs/dbraw/zinc/38/42/98/929384298.db2.gz YRJWABGECMZQMP-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO C[C@@H]([NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467837611 929488140 /nfs/dbraw/zinc/48/81/40/929488140.db2.gz DMJCALWIZDFXML-XMSQKQJNSA-N 1 1 382.508 3.624 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(C)(CO)CC2)cc1OC ZINC000545882135 929637550 /nfs/dbraw/zinc/63/75/50/929637550.db2.gz XDIIKKPXRARVST-HNNXBMFYSA-N 1 1 380.485 3.623 20 5 GHBDMO COc1cc(NC(=O)C[N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000470180983 930436900 /nfs/dbraw/zinc/43/69/00/930436900.db2.gz WCILVMXADSEKIJ-OVCLIPMQSA-N 1 1 399.447 3.586 20 5 GHBDMO COc1cc(NC(=O)C[N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000470180983 930436901 /nfs/dbraw/zinc/43/69/01/930436901.db2.gz WCILVMXADSEKIJ-OVCLIPMQSA-N 1 1 399.447 3.586 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000470981848 931075324 /nfs/dbraw/zinc/07/53/24/931075324.db2.gz FASMGHJQGSMQNB-QGZVFWFLSA-N 1 1 397.475 3.730 20 5 GHBDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782499163 931243484 /nfs/dbraw/zinc/24/34/84/931243484.db2.gz LYRFIHKNJHUBMU-GFCCVEGCSA-N 1 1 375.375 3.821 20 5 GHBDMO C/C(=C/C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783912820 931714917 /nfs/dbraw/zinc/71/49/17/931714917.db2.gz LFYWECQWFBVWPF-MSUUIHNZSA-N 1 1 394.475 3.779 20 5 GHBDMO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1Cc1ccccc1 ZINC000557930751 931759511 /nfs/dbraw/zinc/75/95/11/931759511.db2.gz JQBZWNMPSTUGTF-HNAYVOBHSA-N 1 1 390.443 3.536 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000784506648 931917186 /nfs/dbraw/zinc/91/71/86/931917186.db2.gz GYEBZJYPHWUOMY-RYQLBKOJSA-N 1 1 375.469 3.720 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(Nc3nc4sccn4c3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000558408745 931984796 /nfs/dbraw/zinc/98/47/96/931984796.db2.gz IOTIRFCFXNJCIN-BETUJISGSA-N 1 1 387.465 3.657 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(Nc3nc4sccn4c3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000558408745 931984801 /nfs/dbraw/zinc/98/48/01/931984801.db2.gz IOTIRFCFXNJCIN-BETUJISGSA-N 1 1 387.465 3.657 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000797520212 932318218 /nfs/dbraw/zinc/31/82/18/932318218.db2.gz BSPPXPANALYRET-CQSZACIVSA-N 1 1 385.420 3.753 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000797520212 932318224 /nfs/dbraw/zinc/31/82/24/932318224.db2.gz BSPPXPANALYRET-CQSZACIVSA-N 1 1 385.420 3.753 20 5 GHBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000797840122 932426341 /nfs/dbraw/zinc/42/63/41/932426341.db2.gz IJKYZENKCPTTBX-QGZVFWFLSA-N 1 1 388.468 3.760 20 5 GHBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000798072865 932518331 /nfs/dbraw/zinc/51/83/31/932518331.db2.gz VRABTIKPCPFADC-HNNXBMFYSA-N 1 1 397.878 3.843 20 5 GHBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000559254213 932557020 /nfs/dbraw/zinc/55/70/20/932557020.db2.gz JBRHHKYTJHVSEO-UHFFFAOYSA-N 1 1 381.476 3.789 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000798527350 932692066 /nfs/dbraw/zinc/69/20/66/932692066.db2.gz BQUSVOBHMSSCIE-OAQYLSRUSA-N 1 1 385.439 3.684 20 5 GHBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc([C@@H]([NH3+])c3ccccc3)no2)CC1 ZINC001118236772 934116541 /nfs/dbraw/zinc/11/65/41/934116541.db2.gz JKYNJKFGWUXEGP-IBGZPJMESA-N 1 1 393.447 3.929 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931167437 934410567 /nfs/dbraw/zinc/41/05/67/934410567.db2.gz AKQNSVBUWKNMPQ-RTBURBONSA-N 1 1 397.500 3.886 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000561774169 934442099 /nfs/dbraw/zinc/44/20/99/934442099.db2.gz SJGDGFMKEICQJF-HXUWFJFHSA-N 1 1 391.537 3.901 20 5 GHBDMO Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(N2CCCC2)[nH+]1 ZINC000828139046 935584541 /nfs/dbraw/zinc/58/45/41/935584541.db2.gz SWZUABVRGFQCRR-UHFFFAOYSA-N 1 1 388.855 3.790 20 5 GHBDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000828801904 935714346 /nfs/dbraw/zinc/71/43/46/935714346.db2.gz PPCJMUJTDQUVSX-UHFFFAOYSA-N 1 1 398.887 3.961 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)c1cccc(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000828807207 935715780 /nfs/dbraw/zinc/71/57/80/935715780.db2.gz KITMLFWIISLTBI-ZJOUEHCJSA-N 1 1 388.439 3.573 20 5 GHBDMO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594542198 986179698 /nfs/dbraw/zinc/17/96/98/986179698.db2.gz GDYSYQJAKBWXGV-HOTGVXAUSA-N 1 1 397.475 3.539 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000468243219 1015484352 /nfs/dbraw/zinc/48/43/52/1015484352.db2.gz RKWAMBWCAKWNFV-MRXNPFEDSA-N 1 1 385.439 3.572 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000468243219 1015484367 /nfs/dbraw/zinc/48/43/67/1015484367.db2.gz RKWAMBWCAKWNFV-MRXNPFEDSA-N 1 1 385.439 3.572 20 5 GHBDMO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC000545833146 1016480706 /nfs/dbraw/zinc/48/07/06/1016480706.db2.gz QJLPLHAODHGECH-HNNXBMFYSA-N 1 1 387.455 3.648 20 5 GHBDMO CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546907189 1016766527 /nfs/dbraw/zinc/76/65/27/1016766527.db2.gz ZIFHSHXNOCPYRD-SFHVURJKSA-N 1 1 392.459 3.813 20 5 GHBDMO CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470679846 1016853949 /nfs/dbraw/zinc/85/39/49/1016853949.db2.gz BHCLJAOBHSYLMW-SFHVURJKSA-N 1 1 392.459 3.813 20 5 GHBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3nc4ccccc4c4ccccc43)C[C@H]1[N@H+]2C ZINC001226993830 1032225263 /nfs/dbraw/zinc/22/52/63/1032225263.db2.gz YYYYBDBVHFBSNS-FRMGNDQPSA-N 1 1 376.456 3.934 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001227299343 1032361250 /nfs/dbraw/zinc/36/12/50/1032361250.db2.gz YGCPSYPNWIUSIY-BWTSREIZSA-N 1 1 396.443 3.956 20 5 GHBDMO Cc1ncc([N+](=O)[O-])c(NC2(C)C[NH+](C(c3ccccc3)c3ccccc3)C2)n1 ZINC001155305627 1032493688 /nfs/dbraw/zinc/49/36/88/1032493688.db2.gz KZXKPKTXTQKTAK-UHFFFAOYSA-N 1 1 389.459 3.969 20 5 GHBDMO CCOC(=O)COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC001204271202 1032714620 /nfs/dbraw/zinc/71/46/20/1032714620.db2.gz WODKKTFMRXRVFM-UHFFFAOYSA-N 1 1 384.432 3.701 20 5 GHBDMO CCOC(=O)COc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC001204271202 1032714632 /nfs/dbraw/zinc/71/46/32/1032714632.db2.gz WODKKTFMRXRVFM-UHFFFAOYSA-N 1 1 384.432 3.701 20 5 GHBDMO Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)c2ccnc3c2ccc2cccnc23)C1 ZINC001155810208 1032718429 /nfs/dbraw/zinc/71/84/29/1032718429.db2.gz GYVMSKZNJREJST-QGZVFWFLSA-N 1 1 384.439 3.780 20 5 GHBDMO C[C@@H](C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)CO)c1ccccc1 ZINC000561910005 1017977460 /nfs/dbraw/zinc/97/74/60/1017977460.db2.gz HCAHERLEITVIHA-HOTGVXAUSA-N 1 1 396.447 3.631 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(F)c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC001228017192 1032738744 /nfs/dbraw/zinc/73/87/44/1032738744.db2.gz UJAATGIQFVBTHV-INIZCTEOSA-N 1 1 378.375 3.543 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000562061131 1018024333 /nfs/dbraw/zinc/02/43/33/1018024333.db2.gz FKJLQMSXTVQKFJ-IAGOWNOFSA-N 1 1 387.430 3.827 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)cc1 ZINC000932253506 1018160687 /nfs/dbraw/zinc/16/06/87/1018160687.db2.gz ZUEMXQHQASTWGF-IAGOWNOFSA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2cncc(Br)c2)cc1 ZINC000932253506 1018160716 /nfs/dbraw/zinc/16/07/16/1018160716.db2.gz ZUEMXQHQASTWGF-IAGOWNOFSA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)c2ccccc2)c1 ZINC000779057481 1020342763 /nfs/dbraw/zinc/34/27/63/1020342763.db2.gz BIRXYMIIKRLXTR-PKTZIBPZSA-N 1 1 395.503 3.917 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000579620702 1020427751 /nfs/dbraw/zinc/42/77/51/1020427751.db2.gz XYRXJDVCUMLQOJ-CQSZACIVSA-N 1 1 387.411 3.561 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000579620701 1020427908 /nfs/dbraw/zinc/42/79/08/1020427908.db2.gz XYRXJDVCUMLQOJ-AWEZNQCLSA-N 1 1 387.411 3.561 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC2CC2)c(OC)c1 ZINC000800500791 1021309875 /nfs/dbraw/zinc/30/98/75/1021309875.db2.gz GFMBNWWNTRQELZ-FQEVSTJZSA-N 1 1 386.448 3.558 20 5 GHBDMO O=[N+]([O-])c1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc2[nH]ccc21 ZINC001156317790 1032980441 /nfs/dbraw/zinc/98/04/41/1032980441.db2.gz NNBMQFATZHHRFR-BPQIPLTHSA-N 1 1 377.448 3.794 20 5 GHBDMO C[NH+](C)Cc1cc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1Br ZINC001228548208 1032981175 /nfs/dbraw/zinc/98/11/75/1032981175.db2.gz LLORMTYGLGWMAX-QGZVFWFLSA-N 1 1 391.265 3.965 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nc1 ZINC000748817891 1021722176 /nfs/dbraw/zinc/72/21/76/1021722176.db2.gz ROEYCCMUXKMSPM-CQSZACIVSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nc1 ZINC000748817891 1021722195 /nfs/dbraw/zinc/72/21/95/1021722195.db2.gz ROEYCCMUXKMSPM-CQSZACIVSA-N 1 1 388.855 3.802 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000754169111 1022519668 /nfs/dbraw/zinc/51/96/68/1022519668.db2.gz LGQGQHFUGQWFJY-AOYOVTADSA-N 1 1 379.460 3.950 20 5 GHBDMO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001204817668 1033104981 /nfs/dbraw/zinc/10/49/81/1033104981.db2.gz XMKHGLRYGXOJOF-KRWDZBQOSA-N 1 1 384.354 3.788 20 5 GHBDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001204817668 1033104988 /nfs/dbraw/zinc/10/49/88/1033104988.db2.gz XMKHGLRYGXOJOF-KRWDZBQOSA-N 1 1 384.354 3.788 20 5 GHBDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000755168157 1023107163 /nfs/dbraw/zinc/10/71/63/1023107163.db2.gz QWFNSXKVYVLAGG-ACJLOTCBSA-N 1 1 382.420 3.591 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000755667088 1023329616 /nfs/dbraw/zinc/32/96/16/1023329616.db2.gz UNOIPSMLYPOYNA-VUVZNRFTSA-N 1 1 396.447 3.617 20 5 GHBDMO COC(=O)COc1c(C)cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000756900657 1023851574 /nfs/dbraw/zinc/85/15/74/1023851574.db2.gz VIVQVIWSOMQCFX-UHFFFAOYSA-N 1 1 392.839 3.707 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000756998768 1023903306 /nfs/dbraw/zinc/90/33/06/1023903306.db2.gz PJOBFULBYAXGKV-SFHVURJKSA-N 1 1 391.830 3.668 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000756998768 1023903308 /nfs/dbraw/zinc/90/33/08/1023903308.db2.gz PJOBFULBYAXGKV-SFHVURJKSA-N 1 1 391.830 3.668 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000831593548 1024669043 /nfs/dbraw/zinc/66/90/43/1024669043.db2.gz LRSZMFNGKQJQMD-QAPCUYQASA-N 1 1 391.265 3.880 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001141443624 1025070812 /nfs/dbraw/zinc/07/08/12/1025070812.db2.gz OSCNJXKORUSSKK-UHFFFAOYSA-N 1 1 381.476 3.680 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001141443624 1025070825 /nfs/dbraw/zinc/07/08/25/1025070825.db2.gz OSCNJXKORUSSKK-UHFFFAOYSA-N 1 1 381.476 3.680 20 5 GHBDMO OC[C@@H]1C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@H]1O ZINC001138810928 1025404583 /nfs/dbraw/zinc/40/45/83/1025404583.db2.gz RIMJWHICVUGWQR-RCDICMHDSA-N 1 1 385.467 3.741 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC[N@H+]1CCc2ccccc2C1 ZINC001162132129 1025623656 /nfs/dbraw/zinc/62/36/56/1025623656.db2.gz GGMBGCJGKYPQDG-UHFFFAOYSA-N 1 1 383.448 3.550 20 5 GHBDMO COc1ccc(C[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1[N+](=O)[O-] ZINC000839153687 1025652483 /nfs/dbraw/zinc/65/24/83/1025652483.db2.gz GWGRUCGVVMXIIU-FQEVSTJZSA-N 1 1 392.402 3.827 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1F ZINC000839154587 1025655746 /nfs/dbraw/zinc/65/57/46/1025655746.db2.gz IVFRUYZESQJFJE-LJQANCHMSA-N 1 1 380.366 3.958 20 5 GHBDMO Cc1ccc(-c2ccc(N[C@H](C[NH+]3CCOCC3)C(C)(C)C)nn2)cc1[N+](=O)[O-] ZINC001162881144 1025951677 /nfs/dbraw/zinc/95/16/77/1025951677.db2.gz PQODWCYCFLRNJM-LJQANCHMSA-N 1 1 399.495 3.519 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)CC[NH2+]2)cc1 ZINC001139138016 1025951774 /nfs/dbraw/zinc/95/17/74/1025951774.db2.gz HLZAUPXTUCTIOT-LJQANCHMSA-N 1 1 397.475 3.731 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1Br ZINC000839537505 1026027157 /nfs/dbraw/zinc/02/71/57/1026027157.db2.gz XVEOKGYQQDELHZ-KGLIPLIRSA-N 1 1 383.286 3.996 20 5 GHBDMO Cc1cc(N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164146242 1026431964 /nfs/dbraw/zinc/43/19/64/1026431964.db2.gz RCDMABWPMGAFCP-INIZCTEOSA-N 1 1 381.480 3.813 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2nc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc12 ZINC001164485976 1026525922 /nfs/dbraw/zinc/52/59/22/1026525922.db2.gz KOHOHUFKFSPZQP-CGTJXYLNSA-N 1 1 377.448 3.794 20 5 GHBDMO COc1nc(C)c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1[N+](=O)[O-] ZINC001164491650 1026529541 /nfs/dbraw/zinc/52/95/41/1026529541.db2.gz FXSUFXWRWOMBQU-RCCFBDPRSA-N 1 1 382.464 3.629 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001165148756 1026634361 /nfs/dbraw/zinc/63/43/61/1026634361.db2.gz ASJKZQOHXPPLKA-UHFFFAOYSA-N 1 1 389.459 3.565 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001165202353 1026663346 /nfs/dbraw/zinc/66/33/46/1026663346.db2.gz UPMDRHKJEHDBPZ-RYUDHWBXSA-N 1 1 396.278 3.791 20 5 GHBDMO CNc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC001166807757 1027088368 /nfs/dbraw/zinc/08/83/68/1027088368.db2.gz RGCTWJZXUHNODA-OAQYLSRUSA-N 1 1 396.491 3.619 20 5 GHBDMO C[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000840128022 1027254131 /nfs/dbraw/zinc/25/41/31/1027254131.db2.gz UKSMBSXCTXUTAO-HOCLYGCPSA-N 1 1 387.505 3.780 20 5 GHBDMO C[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000840128022 1027254145 /nfs/dbraw/zinc/25/41/45/1027254145.db2.gz UKSMBSXCTXUTAO-HOCLYGCPSA-N 1 1 387.505 3.780 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)c1 ZINC000840148136 1027282196 /nfs/dbraw/zinc/28/21/96/1027282196.db2.gz LJRMEXZSXIJHAH-IYARVYRRSA-N 1 1 393.447 3.697 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)Cn1ccccc1=O ZINC001141921697 1027669470 /nfs/dbraw/zinc/66/94/70/1027669470.db2.gz QBVGNJZOHFVIIL-UHFFFAOYSA-N 1 1 386.455 3.563 20 5 GHBDMO CN(Cc1c2ccccc2cc2ccccc21)C(=O)CCN1CC[NH+](C)CC1 ZINC001143230513 1029931169 /nfs/dbraw/zinc/93/11/69/1029931169.db2.gz ASWXNXBZERASMS-UHFFFAOYSA-N 1 1 375.516 3.589 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001222515758 1030178274 /nfs/dbraw/zinc/17/82/74/1030178274.db2.gz GYVKKFJGDMYSNZ-VGOFRKELSA-N 1 1 396.491 3.928 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CNC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001461646648 1069656775 /nfs/dbraw/zinc/65/67/75/1069656775.db2.gz UDYVYTFWPOUIOD-CQSZACIVSA-N 1 1 382.302 3.854 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@H]3Cc4ccccc4NC3=O)o2)c([N+](=O)[O-])c1 ZINC001461686519 1069678200 /nfs/dbraw/zinc/67/82/00/1069678200.db2.gz ROGCDZDSWZWLTP-SFHVURJKSA-N 1 1 393.399 3.516 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1CC[NH2+]C1 ZINC001218181566 1030809773 /nfs/dbraw/zinc/80/97/73/1030809773.db2.gz MCCCDXNFCMBXNS-AWEZNQCLSA-N 1 1 381.428 3.607 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cc2ccncc2[nH]1 ZINC001152581654 1031289371 /nfs/dbraw/zinc/28/93/71/1031289371.db2.gz MFSMLYOIMIRGIQ-UHFFFAOYSA-N 1 1 397.438 3.820 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1OC[C@H]1C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001225614901 1031511617 /nfs/dbraw/zinc/51/16/17/1031511617.db2.gz FWMNFJGTATUMGS-GOSISDBHSA-N 1 1 386.448 3.662 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001225614901 1031511631 /nfs/dbraw/zinc/51/16/31/1031511631.db2.gz FWMNFJGTATUMGS-GOSISDBHSA-N 1 1 386.448 3.662 20 5 GHBDMO C[N@@H+]1CCN(C(=O)c2cccc3nc4ccccc4nc32)[C@@H](c2ccccc2)C1 ZINC001153863187 1031778603 /nfs/dbraw/zinc/77/86/03/1031778603.db2.gz LEUQUUCTNHPUIS-JOCHJYFZSA-N 1 1 382.467 3.912 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cccc3nc4ccccc4nc32)[C@@H](c2ccccc2)C1 ZINC001153863187 1031778609 /nfs/dbraw/zinc/77/86/09/1031778609.db2.gz LEUQUUCTNHPUIS-JOCHJYFZSA-N 1 1 382.467 3.912 20 5 GHBDMO COC(=O)Cc1ccc(O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001226215578 1031855920 /nfs/dbraw/zinc/85/59/20/1031855920.db2.gz ZJUQDFARTSXASZ-IERDGZPVSA-N 1 1 398.459 3.600 20 5 GHBDMO COC(=O)Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001226216737 1031858137 /nfs/dbraw/zinc/85/81/37/1031858137.db2.gz KWLWLHMMYDDOAQ-OXQOHEQNSA-N 1 1 398.459 3.600 20 5 GHBDMO Cc1c(CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001226215749 1031858614 /nfs/dbraw/zinc/85/86/14/1031858614.db2.gz FFFKUERDWPHIEX-IRXDYDNUSA-N 1 1 396.491 3.708 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCNc1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001156926287 1033323051 /nfs/dbraw/zinc/32/30/51/1033323051.db2.gz WENMBTIGSDQSRK-SECBINFHSA-N 1 1 381.786 3.733 20 5 GHBDMO CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](CC)C1 ZINC001229244576 1033364590 /nfs/dbraw/zinc/36/45/90/1033364590.db2.gz JIFMNKGEAPORCC-LBPRGKRZSA-N 1 1 385.258 3.813 20 5 GHBDMO CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](CC)C1 ZINC001229244576 1033364601 /nfs/dbraw/zinc/36/46/01/1033364601.db2.gz JIFMNKGEAPORCC-LBPRGKRZSA-N 1 1 385.258 3.813 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001205641541 1033506794 /nfs/dbraw/zinc/50/67/94/1033506794.db2.gz LNKLPQMOVMUUON-INIZCTEOSA-N 1 1 386.427 3.720 20 5 GHBDMO Cc1ccc(N2CCC(Oc3ccc4c(C)cc(=O)oc4c3[N+](=O)[O-])CC2)[nH+]c1 ZINC001229945899 1033808105 /nfs/dbraw/zinc/80/81/05/1033808105.db2.gz HJFRDGKRXJJOFL-UHFFFAOYSA-N 1 1 395.415 3.761 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001229959533 1033817520 /nfs/dbraw/zinc/81/75/20/1033817520.db2.gz DRDARRFFTFYMQN-OXJNMPFZSA-N 1 1 398.459 3.979 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001230251287 1033962649 /nfs/dbraw/zinc/96/26/49/1033962649.db2.gz PCIGRFPVJBMFRS-YOEHRIQHSA-N 1 1 384.436 3.553 20 5 GHBDMO Cn1cc[nH+]c1C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC001206771122 1033977750 /nfs/dbraw/zinc/97/77/50/1033977750.db2.gz OACIUUZIVWZIHK-INIZCTEOSA-N 1 1 377.404 3.543 20 5 GHBDMO C[NH+](C)/C=C/c1cc(NC[C@H](O)c2c(Cl)cccc2Cl)ncc1[N+](=O)[O-] ZINC001159037451 1034396422 /nfs/dbraw/zinc/39/64/22/1034396422.db2.gz QZXLAJSASSCANP-LFAOLKIESA-N 1 1 397.262 3.974 20 5 GHBDMO CCCC(=O)Nc1c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001231358242 1034535574 /nfs/dbraw/zinc/53/55/74/1034535574.db2.gz CKSDLSGGHQECAI-QGZVFWFLSA-N 1 1 383.448 3.987 20 5 GHBDMO CC(C)(C)C(=O)C[NH+]1CCC(Nc2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001161119072 1035147351 /nfs/dbraw/zinc/14/73/51/1035147351.db2.gz TUGKWNAYFSWRQW-UHFFFAOYSA-N 1 1 389.283 3.788 20 5 GHBDMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218786 1035168016 /nfs/dbraw/zinc/16/80/16/1035168016.db2.gz HLNBWWJENAKQNV-LJQANCHMSA-N 1 1 376.504 3.863 20 5 GHBDMO CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)CC[C@H]21 ZINC001232222780 1035170344 /nfs/dbraw/zinc/17/03/44/1035170344.db2.gz QNJRYCMXOWKEQG-TZIWHRDSSA-N 1 1 388.515 3.862 20 5 GHBDMO CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)C1=O ZINC001232222717 1035170380 /nfs/dbraw/zinc/17/03/80/1035170380.db2.gz XXJUTZCSOGVBNU-VWLOTQADSA-N 1 1 394.478 3.903 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2N2CCCCC2)no1 ZINC001248210552 1035642175 /nfs/dbraw/zinc/64/21/75/1035642175.db2.gz SIHONVBWYZPTJQ-SFHVURJKSA-N 1 1 393.447 3.878 20 5 GHBDMO O=C1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1c1ccccc1 ZINC001462092519 1069990318 /nfs/dbraw/zinc/99/03/18/1069990318.db2.gz COSBUTVFJIRFAI-CQSZACIVSA-N 1 1 379.338 3.509 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC001462132651 1070022735 /nfs/dbraw/zinc/02/27/35/1070022735.db2.gz HYKRCDUFHBAZPU-UHFFFAOYSA-N 1 1 376.403 3.973 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC001234049769 1039786353 /nfs/dbraw/zinc/78/63/53/1039786353.db2.gz COVPRIXWADVNGG-IZZQQSIFSA-N 1 1 396.443 3.956 20 5 GHBDMO O=c1ccc2ncc(OC3C[NH+](Cc4ccccc4)C3)c3c4ccccc4n1c32 ZINC001234713290 1040245506 /nfs/dbraw/zinc/24/55/06/1040245506.db2.gz KNVAGYGAWQHBPL-UHFFFAOYSA-N 1 1 381.435 3.702 20 5 GHBDMO COc1c(O[C@@H]2CCC[N@H+](C(C)C)C2)c2nccc3c4ccccc4n(c32)c1=O ZINC001234721780 1040251636 /nfs/dbraw/zinc/25/16/36/1040251636.db2.gz DZXKDVYZROOBML-OAHLLOKOSA-N 1 1 391.471 3.699 20 5 GHBDMO CCOC(=O)[C@]1(C)CCCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254473894 1040260230 /nfs/dbraw/zinc/26/02/30/1040260230.db2.gz JDLNRLLUMLTNNM-OAQYLSRUSA-N 1 1 389.496 3.619 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001254549899 1040317022 /nfs/dbraw/zinc/31/70/22/1040317022.db2.gz ADXOTNPQMMPESQ-FOIQADDNSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001254554294 1040323498 /nfs/dbraw/zinc/32/34/98/1040323498.db2.gz BOFIIEHZWAPFNY-JCXROGDPSA-N 1 1 397.475 3.622 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001254558650 1040327547 /nfs/dbraw/zinc/32/75/47/1040327547.db2.gz UYPSYYNWFMTGIX-KSFYIVLOSA-N 1 1 397.450 3.794 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001254559968 1040332759 /nfs/dbraw/zinc/33/27/59/1040332759.db2.gz DFNFAXOKVQBKBW-MGPUTAFESA-N 1 1 385.489 3.716 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001254562103 1040334122 /nfs/dbraw/zinc/33/41/22/1040334122.db2.gz JOMGSMFDMRTEHZ-AAEUAGOBSA-N 1 1 384.358 3.807 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001254564749 1040339925 /nfs/dbraw/zinc/33/99/25/1040339925.db2.gz MTYGLWQRLRBRAE-STZQEDGTSA-N 1 1 379.504 3.980 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001254570927 1040348775 /nfs/dbraw/zinc/34/87/75/1040348775.db2.gz QRHCXVYIOSWRMD-QRWLVFNGSA-N 1 1 377.485 3.763 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254589180 1040362549 /nfs/dbraw/zinc/36/25/49/1040362549.db2.gz NIEOGXOMZULKPT-GCJKJVERSA-N 1 1 399.454 3.723 20 5 GHBDMO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593204 1040365874 /nfs/dbraw/zinc/36/58/74/1040365874.db2.gz JXDOVIYWGVYUJL-VCBZYWHSSA-N 1 1 389.496 3.687 20 5 GHBDMO O=C1N(c2ccsc2)CC[C@]12CCC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254593825 1040365967 /nfs/dbraw/zinc/36/59/67/1040365967.db2.gz CAYPJDVVSKDSEQ-FPOVZHCZSA-N 1 1 397.500 3.643 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCN3Cc3cccc(F)c3)C1)C2 ZINC001254595779 1040368960 /nfs/dbraw/zinc/36/89/60/1040368960.db2.gz MLNOSZASFRVPRN-PKTZIBPZSA-N 1 1 395.478 3.942 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1Cc3cnc(-c4ccc(F)cc4)nc3C1)C2 ZINC001254606838 1040378345 /nfs/dbraw/zinc/37/83/45/1040378345.db2.gz IHRBKEIYDICYFQ-LJQANCHMSA-N 1 1 376.391 3.674 20 5 GHBDMO O=[N+]([O-])c1cc2n[nH]cc2c(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255405126 1040992808 /nfs/dbraw/zinc/99/28/08/1040992808.db2.gz KIWOOZLIEYQCHV-AWEZNQCLSA-N 1 1 390.403 3.511 20 5 GHBDMO COc1ccc(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c([N+](=O)[O-])c1 ZINC001255450534 1041052951 /nfs/dbraw/zinc/05/29/51/1041052951.db2.gz CGPCFUVKLFCUMW-KRWDZBQOSA-N 1 1 394.431 3.567 20 5 GHBDMO COc1cc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c([N+](=O)[O-])cc1F ZINC001255477754 1041077524 /nfs/dbraw/zinc/07/75/24/1041077524.db2.gz GZNJWLMUGCRXNX-CQSZACIVSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC(F)(F)C(C)(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093975 1041523661 /nfs/dbraw/zinc/52/36/61/1041523661.db2.gz UFLCYALWUVFCAP-UHFFFAOYSA-N 1 1 383.439 3.939 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001291552468 1043338668 /nfs/dbraw/zinc/33/86/68/1043338668.db2.gz OKDSCPAIWCXYNM-HNNXBMFYSA-N 1 1 381.904 3.952 20 5 GHBDMO CC[N@@H+]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001297723399 1045612079 /nfs/dbraw/zinc/61/20/79/1045612079.db2.gz FKNMORMHBGXIFG-HNNXBMFYSA-N 1 1 379.526 3.899 20 5 GHBDMO CC[N@H+]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001297723399 1045612088 /nfs/dbraw/zinc/61/20/88/1045612088.db2.gz FKNMORMHBGXIFG-HNNXBMFYSA-N 1 1 379.526 3.899 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001299858295 1046069918 /nfs/dbraw/zinc/06/99/18/1046069918.db2.gz BQMADVJLXPUBDB-QGZVFWFLSA-N 1 1 382.464 3.530 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)C2)cc1 ZINC001302724645 1047067609 /nfs/dbraw/zinc/06/76/09/1047067609.db2.gz PPQNLHNODYFMFU-LJQANCHMSA-N 1 1 397.475 3.695 20 5 GHBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001303270137 1047332749 /nfs/dbraw/zinc/33/27/49/1047332749.db2.gz HELGHHWDLNLFOK-APWZRJJASA-N 1 1 398.511 3.572 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC000612112987 1047530838 /nfs/dbraw/zinc/53/08/38/1047530838.db2.gz TZZXMPFIDUQYMS-LDQXTDLNSA-N 1 1 389.459 3.861 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC001265497552 1047619741 /nfs/dbraw/zinc/61/97/41/1047619741.db2.gz LQVDUEKSTFSEIO-GOSISDBHSA-N 1 1 383.448 3.513 20 5 GHBDMO CSc1ccc(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001265745296 1047665244 /nfs/dbraw/zinc/66/52/44/1047665244.db2.gz JSIULFCXVCSEFS-HNNXBMFYSA-N 1 1 387.505 3.957 20 5 GHBDMO CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001266065638 1047705956 /nfs/dbraw/zinc/70/59/56/1047705956.db2.gz ZAHUFOWIBYYOLE-OAQYLSRUSA-N 1 1 393.487 3.749 20 5 GHBDMO Cc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC001279365361 1047781757 /nfs/dbraw/zinc/78/17/57/1047781757.db2.gz TVBIJRKHRDMAOA-HXUWFJFHSA-N 1 1 381.476 3.886 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001287507339 1048798542 /nfs/dbraw/zinc/79/85/42/1048798542.db2.gz LXVLJECBQRMZDK-QGZVFWFLSA-N 1 1 381.476 3.778 20 5 GHBDMO CN1CC[NH+](Cc2ccc(CNc3ncc([N+](=O)[O-])c4ccccc43)cc2)CC1 ZINC001306932772 1048966135 /nfs/dbraw/zinc/96/61/35/1048966135.db2.gz YLGQDKMYRRNIBL-UHFFFAOYSA-N 1 1 391.475 3.503 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)c2c1 ZINC001307140786 1049099174 /nfs/dbraw/zinc/09/91/74/1049099174.db2.gz HNOXEENLJHCTDG-MRXNPFEDSA-N 1 1 392.459 3.862 20 5 GHBDMO CCC1(CC)[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1OC ZINC001307545536 1049388806 /nfs/dbraw/zinc/38/88/06/1049388806.db2.gz XNJINSHSBZJXBI-SJORKVTESA-N 1 1 381.448 3.588 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1F)C1CC1 ZINC001307618833 1049454335 /nfs/dbraw/zinc/45/43/35/1049454335.db2.gz KZPQDUZYHKTJSM-LJQANCHMSA-N 1 1 375.375 3.861 20 5 GHBDMO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001307706422 1049522290 /nfs/dbraw/zinc/52/22/90/1049522290.db2.gz MAKNQSSVTILWEO-HXUWFJFHSA-N 1 1 381.480 3.717 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001307706422 1049522300 /nfs/dbraw/zinc/52/23/00/1049522300.db2.gz MAKNQSSVTILWEO-HXUWFJFHSA-N 1 1 381.480 3.717 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001307759963 1049574739 /nfs/dbraw/zinc/57/47/39/1049574739.db2.gz HAZYJIMFWACWPX-SFHVURJKSA-N 1 1 391.830 3.667 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001307759963 1049574747 /nfs/dbraw/zinc/57/47/47/1049574747.db2.gz HAZYJIMFWACWPX-SFHVURJKSA-N 1 1 391.830 3.667 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001307893045 1049672197 /nfs/dbraw/zinc/67/21/97/1049672197.db2.gz DOUGUJDWLLNLCE-BBWFWOEESA-N 1 1 398.463 3.986 20 5 GHBDMO C[N@H+](CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)CC(C)(C)C ZINC001290277556 1049788576 /nfs/dbraw/zinc/78/85/76/1049788576.db2.gz SWCCWRMVABZBKV-UHFFFAOYSA-N 1 1 399.447 3.730 20 5 GHBDMO C[N@@H+](CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)CC(C)(C)C ZINC001290277556 1049788585 /nfs/dbraw/zinc/78/85/85/1049788585.db2.gz SWCCWRMVABZBKV-UHFFFAOYSA-N 1 1 399.447 3.730 20 5 GHBDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001308057582 1049805882 /nfs/dbraw/zinc/80/58/82/1049805882.db2.gz OKFFBYDIXKKNAS-SFTDATJTSA-N 1 1 387.455 3.536 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ncc(Br)cn3)C2)cc1F ZINC001308074510 1049820038 /nfs/dbraw/zinc/82/00/38/1049820038.db2.gz BYAASNIVNGAFIJ-GFCCVEGCSA-N 1 1 395.232 3.666 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ncc(Br)cn3)C2)cc1F ZINC001308074510 1049820049 /nfs/dbraw/zinc/82/00/49/1049820049.db2.gz BYAASNIVNGAFIJ-GFCCVEGCSA-N 1 1 395.232 3.666 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001308076568 1049823488 /nfs/dbraw/zinc/82/34/88/1049823488.db2.gz QUQIJYFNEDBIBC-ZDUSSCGKSA-N 1 1 377.242 3.527 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)s1 ZINC001308486618 1049987529 /nfs/dbraw/zinc/98/75/29/1049987529.db2.gz SVSOITGISXBCPQ-UHFFFAOYSA-N 1 1 399.476 3.625 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(CC(F)(F)F)cc3)C2)nc1 ZINC001308572629 1050014656 /nfs/dbraw/zinc/01/46/56/1050014656.db2.gz AGJNHLLHCZCVHA-HNNXBMFYSA-N 1 1 380.370 3.781 20 5 GHBDMO CCOC(=O)[C@]1(F)C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001308857829 1050126659 /nfs/dbraw/zinc/12/66/59/1050126659.db2.gz AAJGMZOIZOYGMX-XMUSRXTASA-N 1 1 376.428 3.755 20 5 GHBDMO CCOC(=O)[C@]1(F)C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001308857829 1050126660 /nfs/dbraw/zinc/12/66/60/1050126660.db2.gz AAJGMZOIZOYGMX-XMUSRXTASA-N 1 1 376.428 3.755 20 5 GHBDMO COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1F ZINC001308921776 1050173234 /nfs/dbraw/zinc/17/32/34/1050173234.db2.gz ARBLHBGKRWBTID-AWEZNQCLSA-N 1 1 393.802 3.679 20 5 GHBDMO Cc1c(NC(=O)NCC[N@H+](C)C2CCCC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311259383 1051974098 /nfs/dbraw/zinc/97/40/98/1051974098.db2.gz HEDVMURYBFCZDX-UHFFFAOYSA-N 1 1 388.390 3.918 20 5 GHBDMO Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001311712039 1052350059 /nfs/dbraw/zinc/35/00/59/1052350059.db2.gz IUGVYZICCRLEHV-QFBILLFUSA-N 1 1 382.464 3.538 20 5 GHBDMO CC[N@@H+](CCCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001312964306 1052922115 /nfs/dbraw/zinc/92/21/15/1052922115.db2.gz PEULPTLDXVNAFM-MRXNPFEDSA-N 1 1 376.501 4.000 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001343931660 1054126404 /nfs/dbraw/zinc/12/64/04/1054126404.db2.gz LBLUPNQRBVOSSG-HKUYNNGSSA-N 1 1 385.439 3.573 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001343931660 1054126406 /nfs/dbraw/zinc/12/64/06/1054126406.db2.gz LBLUPNQRBVOSSG-HKUYNNGSSA-N 1 1 385.439 3.573 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001319375353 1055212092 /nfs/dbraw/zinc/21/20/92/1055212092.db2.gz SMGOLSMFLCSQKY-VGSWGCGISA-N 1 1 395.459 3.943 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001319375353 1055212107 /nfs/dbraw/zinc/21/21/07/1055212107.db2.gz SMGOLSMFLCSQKY-VGSWGCGISA-N 1 1 395.459 3.943 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCc1nnc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC001345738485 1055234601 /nfs/dbraw/zinc/23/46/01/1055234601.db2.gz ACCGBTRRMKZPBW-QGZVFWFLSA-N 1 1 394.431 3.936 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC001320174712 1055690535 /nfs/dbraw/zinc/69/05/35/1055690535.db2.gz BAGNVLLYOPMKLG-IRXDYDNUSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC001320174712 1055690541 /nfs/dbraw/zinc/69/05/41/1055690541.db2.gz BAGNVLLYOPMKLG-IRXDYDNUSA-N 1 1 377.803 3.563 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320542420 1055872316 /nfs/dbraw/zinc/87/23/16/1055872316.db2.gz CTVGZYUVUYMICY-CZAAIQMYSA-N 1 1 399.466 3.864 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320542420 1055872332 /nfs/dbraw/zinc/87/23/32/1055872332.db2.gz CTVGZYUVUYMICY-CZAAIQMYSA-N 1 1 399.466 3.864 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001322615360 1056770823 /nfs/dbraw/zinc/77/08/23/1056770823.db2.gz FBXJVJKKKBLKFL-MRXNPFEDSA-N 1 1 388.512 3.753 20 5 GHBDMO C[C@H](CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC001355308595 1057113955 /nfs/dbraw/zinc/11/39/55/1057113955.db2.gz BWJDXIUUYWYYMW-HBGVWJBISA-N 1 1 381.476 3.725 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001325509585 1057336526 /nfs/dbraw/zinc/33/65/26/1057336526.db2.gz CSJCTLNOGAHRPR-MORSLUCNSA-N 1 1 395.887 3.712 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001326597212 1057519681 /nfs/dbraw/zinc/51/96/81/1057519681.db2.gz SWQRZAONCZVBKI-VYTWWXLVSA-N 1 1 395.503 3.804 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001326597212 1057519694 /nfs/dbraw/zinc/51/96/94/1057519694.db2.gz SWQRZAONCZVBKI-VYTWWXLVSA-N 1 1 395.503 3.804 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001326597212 1057519701 /nfs/dbraw/zinc/51/97/01/1057519701.db2.gz SWQRZAONCZVBKI-VYTWWXLVSA-N 1 1 395.503 3.804 20 5 GHBDMO Cc1cccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001440041786 1058398595 /nfs/dbraw/zinc/39/85/95/1058398595.db2.gz BSXAHSVWIVIPJC-HSALFYBXSA-N 1 1 393.487 3.934 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001441239659 1058733726 /nfs/dbraw/zinc/73/37/26/1058733726.db2.gz JWACOSVYDPYWAT-GOSISDBHSA-N 1 1 397.475 3.560 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)N1CCCC1 ZINC001339823964 1059503388 /nfs/dbraw/zinc/50/33/88/1059503388.db2.gz GKJQOUCRNQKRED-LBPRGKRZSA-N 1 1 377.828 3.609 20 5 GHBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001450679876 1060650288 /nfs/dbraw/zinc/65/02/88/1060650288.db2.gz SLRFUGMFGPBDFE-VIFPVBQESA-N 1 1 380.247 3.891 20 5 GHBDMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)C2)c1 ZINC001454310529 1061709033 /nfs/dbraw/zinc/70/90/33/1061709033.db2.gz HOPSOYQRTMQARQ-LJQANCHMSA-N 1 1 381.476 3.833 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001454885982 1061951772 /nfs/dbraw/zinc/95/17/72/1061951772.db2.gz XFHYLCGXFZYHPR-SFHVURJKSA-N 1 1 397.479 3.512 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001457231909 1063049228 /nfs/dbraw/zinc/04/92/28/1063049228.db2.gz UOESRXMBOPEJNV-JCXROGDPSA-N 1 1 393.487 3.868 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001436363853 1063404087 /nfs/dbraw/zinc/40/40/87/1063404087.db2.gz DIBLMQLKIAAABK-LEWJYISDSA-N 1 1 393.487 3.869 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001457989728 1063489807 /nfs/dbraw/zinc/48/98/07/1063489807.db2.gz BVFCDLARUVOQOP-QZTJIDSGSA-N 1 1 395.503 3.994 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001457989728 1063489811 /nfs/dbraw/zinc/48/98/11/1063489811.db2.gz BVFCDLARUVOQOP-QZTJIDSGSA-N 1 1 395.503 3.994 20 5 GHBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](Cc2ccccc2)C1 ZINC001458481523 1063837613 /nfs/dbraw/zinc/83/76/13/1063837613.db2.gz LNUKZSHGNNRVCF-INIZCTEOSA-N 1 1 379.382 3.977 20 5 GHBDMO CCC1CCC([N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001459313151 1064058559 /nfs/dbraw/zinc/05/85/59/1064058559.db2.gz MYMDEWPYUSBURQ-UHFFFAOYSA-N 1 1 380.510 3.802 20 5 GHBDMO CCC1CCC([N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001459313151 1064058570 /nfs/dbraw/zinc/05/85/70/1064058570.db2.gz MYMDEWPYUSBURQ-UHFFFAOYSA-N 1 1 380.510 3.802 20 5 GHBDMO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1(C)C ZINC001459570339 1064131551 /nfs/dbraw/zinc/13/15/51/1064131551.db2.gz YGXZYONQRORMTR-KDOFPFPSSA-N 1 1 394.859 3.934 20 5 GHBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1(C)C ZINC001459570339 1064131558 /nfs/dbraw/zinc/13/15/58/1064131558.db2.gz YGXZYONQRORMTR-KDOFPFPSSA-N 1 1 394.859 3.934 20 5 GHBDMO COc1ccc2c(c1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C1CCCCC1)C2 ZINC001459664335 1064159165 /nfs/dbraw/zinc/15/91/65/1064159165.db2.gz LWOJNSABHPUFCL-HXUWFJFHSA-N 1 1 384.480 3.807 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CCCCC1 ZINC001439095158 1064173937 /nfs/dbraw/zinc/17/39/37/1064173937.db2.gz BSNCRMFRRIPEQI-UHFFFAOYSA-N 1 1 375.513 3.773 20 5 GHBDMO COc1ccc(OCCN[C@@H](C[NH+]2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC001459939618 1064288098 /nfs/dbraw/zinc/28/80/98/1064288098.db2.gz YMVHZUYFZWKKEW-FQEVSTJZSA-N 1 1 399.491 3.799 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)C2)cc1 ZINC001465918779 1065922518 /nfs/dbraw/zinc/92/25/18/1065922518.db2.gz CTNMBVFTCHDWLM-GOSISDBHSA-N 1 1 382.464 3.916 20 5 GHBDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC001473259317 1067064117 /nfs/dbraw/zinc/06/41/17/1067064117.db2.gz GXEIMZFGTJGVQW-QZTJIDSGSA-N 1 1 395.475 3.978 20 5 GHBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001467645384 1067398570 /nfs/dbraw/zinc/39/85/70/1067398570.db2.gz WQVYZHVBPGIZKW-SECBINFHSA-N 1 1 378.231 3.597 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCC3(C)C)C2)cc1[N+](=O)[O-] ZINC001474595763 1067730333 /nfs/dbraw/zinc/73/03/33/1067730333.db2.gz YEGSVIPFLZGDKC-IRXDYDNUSA-N 1 1 390.480 3.795 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)CC1 ZINC001360928341 1068696132 /nfs/dbraw/zinc/69/61/32/1068696132.db2.gz FGNFQNYUYXQFNG-IBGZPJMESA-N 1 1 385.439 3.951 20 5 GHBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001460310520 1068918955 /nfs/dbraw/zinc/91/89/55/1068918955.db2.gz LUWJYFLFIVORTB-UHFFFAOYSA-N 1 1 380.347 3.817 20 5 GHBDMO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@H+]1C1CCCC1 ZINC001460781577 1069175168 /nfs/dbraw/zinc/17/51/68/1069175168.db2.gz VBJYGYRTAQFRGO-CYBMUJFWSA-N 1 1 382.302 3.806 20 5 GHBDMO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001460815444 1069197723 /nfs/dbraw/zinc/19/77/23/1069197723.db2.gz CQDXFHBWBRZYFJ-HXUWFJFHSA-N 1 1 375.469 3.960 20 5 GHBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001460852749 1069223020 /nfs/dbraw/zinc/22/30/20/1069223020.db2.gz RREKAKYBRNVOLU-ZOCZFRKYSA-N 1 1 383.448 3.774 20 5 GHBDMO CCOc1ccc(CC[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC001460917083 1069272923 /nfs/dbraw/zinc/27/29/23/1069272923.db2.gz LYUVDVOJNLRFQN-UHFFFAOYSA-N 1 1 385.464 3.805 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC001460922381 1069276303 /nfs/dbraw/zinc/27/63/03/1069276303.db2.gz AUVVXAAKDYJGNN-UHFFFAOYSA-N 1 1 393.447 3.754 20 5 GHBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001472493513 1073510616 /nfs/dbraw/zinc/51/06/16/1073510616.db2.gz BLBSCBGRLDBWTM-UHFFFAOYSA-N 1 1 379.888 3.976 20 5 GHBDMO C[C@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccccc1[N+](=O)[O-] ZINC001472624427 1073583391 /nfs/dbraw/zinc/58/33/91/1073583391.db2.gz LXJVBHJFPDAVSX-VQIMIIECSA-N 1 1 381.476 3.938 20 5 GHBDMO CN1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)F)cc2)CC1 ZINC001472657458 1073600656 /nfs/dbraw/zinc/60/06/56/1073600656.db2.gz RNZRJPOROFLGRK-UHFFFAOYSA-N 1 1 390.434 3.892 20 5 GHBDMO COc1cc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC001472812311 1073676566 /nfs/dbraw/zinc/67/65/66/1073676566.db2.gz HZPLCOQFMWGKAJ-BEFAXECRSA-N 1 1 387.867 3.968 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001472851713 1073693693 /nfs/dbraw/zinc/69/36/93/1073693693.db2.gz KRPOBGVGFWBKBI-CRAIPNDOSA-N 1 1 383.448 3.561 20 5 GHBDMO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473197782 1073848961 /nfs/dbraw/zinc/84/89/61/1073848961.db2.gz BHEUSHHOXACAHF-JLTOFOAXSA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473197782 1073848972 /nfs/dbraw/zinc/84/89/72/1073848972.db2.gz BHEUSHHOXACAHF-JLTOFOAXSA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001479296446 1079174228 /nfs/dbraw/zinc/17/42/28/1079174228.db2.gz AKOFKNOYEZVAME-KZNAEPCWSA-N 1 1 388.512 3.952 20 5 GHBDMO C[N@H+](CCCOc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001473266985 1073898643 /nfs/dbraw/zinc/89/86/43/1073898643.db2.gz GKHXZJBPUULZQD-UHFFFAOYSA-N 1 1 378.812 3.878 20 5 GHBDMO C[N@@H+](CCCOc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001473266985 1073898649 /nfs/dbraw/zinc/89/86/49/1073898649.db2.gz GKHXZJBPUULZQD-UHFFFAOYSA-N 1 1 378.812 3.878 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC001473290031 1073908731 /nfs/dbraw/zinc/90/87/31/1073908731.db2.gz SZAUFNNQKJNENU-XHSDSOJGSA-N 1 1 379.501 3.553 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC001473525939 1074002758 /nfs/dbraw/zinc/00/27/58/1074002758.db2.gz KAGOCCJGJYCQLX-GOSISDBHSA-N 1 1 375.469 3.927 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC001473525939 1074002769 /nfs/dbraw/zinc/00/27/69/1074002769.db2.gz KAGOCCJGJYCQLX-GOSISDBHSA-N 1 1 375.469 3.927 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC001473525940 1074002950 /nfs/dbraw/zinc/00/29/50/1074002950.db2.gz KAGOCCJGJYCQLX-SFHVURJKSA-N 1 1 375.469 3.927 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC001473525940 1074002962 /nfs/dbraw/zinc/00/29/62/1074002962.db2.gz KAGOCCJGJYCQLX-SFHVURJKSA-N 1 1 375.469 3.927 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001473682902 1074084894 /nfs/dbraw/zinc/08/48/94/1074084894.db2.gz KGKFKPNXEHGFHY-SFTDATJTSA-N 1 1 381.476 3.841 20 5 GHBDMO C[C@@H]([NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC001473769215 1074132268 /nfs/dbraw/zinc/13/22/68/1074132268.db2.gz PWILICKGIACLCE-MRXNPFEDSA-N 1 1 383.492 3.902 20 5 GHBDMO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473844777 1074171435 /nfs/dbraw/zinc/17/14/35/1074171435.db2.gz ASLNGIKEBDUXOB-KRWDZBQOSA-N 1 1 388.489 3.637 20 5 GHBDMO CC1(C)C[C@H](c2ccccc2)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473844777 1074171438 /nfs/dbraw/zinc/17/14/38/1074171438.db2.gz ASLNGIKEBDUXOB-KRWDZBQOSA-N 1 1 388.489 3.637 20 5 GHBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001476362768 1075133732 /nfs/dbraw/zinc/13/37/32/1075133732.db2.gz JJOMZOOYKIKWQG-LLVKDONJSA-N 1 1 387.278 3.599 20 5 GHBDMO CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825419137 608549446 /nfs/dbraw/zinc/54/94/46/608549446.db2.gz IDEVHXYQPOTAJW-VFADXPBXSA-N 1 1 378.436 3.871 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164619746 719073980 /nfs/dbraw/zinc/07/39/80/719073980.db2.gz CLRIGPYRUXAKGO-UTKZUKDTSA-N 1 1 389.459 3.639 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)[C@H]2C ZINC001164859982 720948301 /nfs/dbraw/zinc/94/83/01/720948301.db2.gz OURWJNYULJOUON-HNNXBMFYSA-N 1 1 394.479 3.761 20 5 GHBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792196 721489883 /nfs/dbraw/zinc/48/98/83/721489883.db2.gz IAQLKOAYOVIUSL-UHFFFAOYSA-N 1 1 381.480 3.574 20 5 GHBDMO Cc1c(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000580805027 837419607 /nfs/dbraw/zinc/41/96/07/837419607.db2.gz KHNJMNGOGYMNSA-LJQANCHMSA-N 1 1 381.476 3.935 20 5 GHBDMO Cc1c(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000580805026 837419742 /nfs/dbraw/zinc/41/97/42/837419742.db2.gz KHNJMNGOGYMNSA-IBGZPJMESA-N 1 1 381.476 3.935 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000581071963 837456811 /nfs/dbraw/zinc/45/68/11/837456811.db2.gz QFLILQYOGMBRJK-QUCCMNQESA-N 1 1 398.459 3.793 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471386106 837471760 /nfs/dbraw/zinc/47/17/60/837471760.db2.gz XBNNFJPVKPHBTE-CALCHBBNSA-N 1 1 397.500 3.521 20 5 GHBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180850241 837590717 /nfs/dbraw/zinc/59/07/17/837590717.db2.gz WKNYRUHGIWPCAC-AEFFLSMTSA-N 1 1 392.459 3.650 20 5 GHBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000180858040 837605982 /nfs/dbraw/zinc/60/59/82/837605982.db2.gz LYBRNYWHDZMJTL-NWDGAFQWSA-N 1 1 395.253 3.820 20 5 GHBDMO C[C@@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581918550 837729576 /nfs/dbraw/zinc/72/95/76/837729576.db2.gz DPEBRQZBCCOLAT-ZWKOTPCHSA-N 1 1 381.476 3.821 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175267896 834414772 /nfs/dbraw/zinc/41/47/72/834414772.db2.gz QFDMPUUOWMJKGU-FQEVSTJZSA-N 1 1 396.491 3.648 20 5 GHBDMO CC(=O)NCC[N@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000582003852 837769003 /nfs/dbraw/zinc/76/90/03/837769003.db2.gz HAQOXUHZAOPZLI-UHFFFAOYSA-N 1 1 377.828 3.608 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@H](C)CCO ZINC000180987794 837779973 /nfs/dbraw/zinc/77/99/73/837779973.db2.gz SBZZLRFUEQNDNG-QGZVFWFLSA-N 1 1 385.464 3.505 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](COC)Cc1ccccc1 ZINC000472323284 834675763 /nfs/dbraw/zinc/67/57/63/834675763.db2.gz SMMHPGPNJWVNPR-LJQANCHMSA-N 1 1 396.447 3.724 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000572985765 834793569 /nfs/dbraw/zinc/79/35/69/834793569.db2.gz OYKAMOQAFDTZIU-MRXNPFEDSA-N 1 1 394.491 3.637 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH+]2CCC3(CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000608833407 834947065 /nfs/dbraw/zinc/94/70/65/834947065.db2.gz VVMDDNGMFYRGLL-UHFFFAOYSA-N 1 1 375.469 3.978 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000510082284 835008617 /nfs/dbraw/zinc/00/86/17/835008617.db2.gz DODUAIOUJHDVJR-MJGOQNOKSA-N 1 1 381.476 3.554 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000430212149 835157721 /nfs/dbraw/zinc/15/77/21/835157721.db2.gz KZWRFJIUFHKENF-OAHLLOKOSA-N 1 1 397.353 3.671 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000430212149 835157725 /nfs/dbraw/zinc/15/77/25/835157725.db2.gz KZWRFJIUFHKENF-OAHLLOKOSA-N 1 1 397.353 3.671 20 5 GHBDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000175328407 835160053 /nfs/dbraw/zinc/16/00/53/835160053.db2.gz IZHWOCHRUQJZLU-UHFFFAOYSA-N 1 1 385.439 3.571 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000430215765 835197830 /nfs/dbraw/zinc/19/78/30/835197830.db2.gz HFTKAABXBURJOV-UHFFFAOYSA-N 1 1 384.358 3.656 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472344702 835198013 /nfs/dbraw/zinc/19/80/13/835198013.db2.gz URIKWCNCYJLJEI-AEFFLSMTSA-N 1 1 397.475 3.885 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472344703 835198246 /nfs/dbraw/zinc/19/82/46/835198246.db2.gz URIKWCNCYJLJEI-FUHWJXTLSA-N 1 1 397.475 3.885 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(-c2cnn(C)c2)c1 ZINC000583903641 835224236 /nfs/dbraw/zinc/22/42/36/835224236.db2.gz DLMJPHBEUJBCLK-UHFFFAOYSA-N 1 1 378.432 3.698 20 5 GHBDMO Cc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(-c2cnn(C)c2)c1 ZINC000583903641 835224241 /nfs/dbraw/zinc/22/42/41/835224241.db2.gz DLMJPHBEUJBCLK-UHFFFAOYSA-N 1 1 378.432 3.698 20 5 GHBDMO CCOC(=O)C(C)(C)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000510106933 835268689 /nfs/dbraw/zinc/26/86/89/835268689.db2.gz WHRYYVLLVPTFTG-UHFFFAOYSA-N 1 1 375.425 3.537 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000157636363 835290358 /nfs/dbraw/zinc/29/03/58/835290358.db2.gz GCTLVBQIQFQNSF-INIZCTEOSA-N 1 1 399.422 3.657 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611983763 835299362 /nfs/dbraw/zinc/29/93/62/835299362.db2.gz IOIVQPUQLFNJBP-AWEZNQCLSA-N 1 1 393.390 3.664 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136185207 835319638 /nfs/dbraw/zinc/31/96/38/835319638.db2.gz YWWMGUHBURZYBX-CRAIPNDOSA-N 1 1 382.464 3.996 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000278552979 835372573 /nfs/dbraw/zinc/37/25/73/835372573.db2.gz ZJHGCRNYYVTSKV-VQIMIIECSA-N 1 1 389.383 3.994 20 5 GHBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](C)c1cccc(O)c1 ZINC000471170622 835395877 /nfs/dbraw/zinc/39/58/77/835395877.db2.gz WEMFJBDWIPVPDD-AWEZNQCLSA-N 1 1 385.420 3.682 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000612101668 835477715 /nfs/dbraw/zinc/47/77/15/835477715.db2.gz CUIYYIZDUCTUJC-QAPCUYQASA-N 1 1 397.431 3.703 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000612101668 835477719 /nfs/dbraw/zinc/47/77/19/835477719.db2.gz CUIYYIZDUCTUJC-QAPCUYQASA-N 1 1 397.431 3.703 20 5 GHBDMO Cc1cc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000510121934 835490359 /nfs/dbraw/zinc/49/03/59/835490359.db2.gz ZTZQELDCQNPAAI-PKOBYXMFSA-N 1 1 381.476 3.934 20 5 GHBDMO Cc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000612132249 835587985 /nfs/dbraw/zinc/58/79/85/835587985.db2.gz HYWQRKUMWFBPKK-CEWLAPEOSA-N 1 1 393.487 3.934 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052829916 835686948 /nfs/dbraw/zinc/68/69/48/835686948.db2.gz ZJPSJFNQBCSJEP-OAHLLOKOSA-N 1 1 388.855 3.536 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2OCC(F)F)cc1[N+](=O)[O-] ZINC000179521457 835850813 /nfs/dbraw/zinc/85/08/13/835850813.db2.gz MULHLJNDPJKIFC-GFCCVEGCSA-N 1 1 381.379 3.883 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)CC2)[nH+]c1 ZINC000179618327 835893948 /nfs/dbraw/zinc/89/39/48/835893948.db2.gz GCPWGVFNNSUQGM-UHFFFAOYSA-N 1 1 394.475 3.706 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](c3ccccc3)C3CCOCC3)n2)cc1 ZINC000364304995 835946542 /nfs/dbraw/zinc/94/65/42/835946542.db2.gz OYHQWIVQELOTOZ-HXUWFJFHSA-N 1 1 394.431 3.902 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000375815563 835987703 /nfs/dbraw/zinc/98/77/03/835987703.db2.gz PXCXHVSVTAFTDQ-FQEVSTJZSA-N 1 1 389.496 3.607 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000615038878 836038593 /nfs/dbraw/zinc/03/85/93/836038593.db2.gz QDNJWOUYXYVAAY-GOSISDBHSA-N 1 1 382.464 3.937 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134835076 836043827 /nfs/dbraw/zinc/04/38/27/836043827.db2.gz TYUKZSWWAIKFFD-INIZCTEOSA-N 1 1 387.867 3.543 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000613383361 836247163 /nfs/dbraw/zinc/24/71/63/836247163.db2.gz DLPCPSNJVRXBOX-SFHVURJKSA-N 1 1 390.411 3.773 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000154990382 836253889 /nfs/dbraw/zinc/25/38/89/836253889.db2.gz PIKFBWAWCGZOTO-IRXDYDNUSA-N 1 1 396.491 3.870 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000582292657 836275074 /nfs/dbraw/zinc/27/50/74/836275074.db2.gz GLCPZNQFZSHSOX-AWEZNQCLSA-N 1 1 383.477 3.700 20 5 GHBDMO O=C(C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000065951565 836321211 /nfs/dbraw/zinc/32/12/11/836321211.db2.gz MTWLZHKUTXPYHP-HXUWFJFHSA-N 1 1 377.444 3.636 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000612531164 836367620 /nfs/dbraw/zinc/36/76/20/836367620.db2.gz RHAZPNNEVIXQQF-CYBMUJFWSA-N 1 1 382.395 3.648 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000411941744 836442067 /nfs/dbraw/zinc/44/20/67/836442067.db2.gz LVCZTTDVDUWZIJ-GJZGRUSLSA-N 1 1 394.374 3.513 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000411941744 836442071 /nfs/dbraw/zinc/44/20/71/836442071.db2.gz LVCZTTDVDUWZIJ-GJZGRUSLSA-N 1 1 394.374 3.513 20 5 GHBDMO Cc1sc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510170964 836590196 /nfs/dbraw/zinc/59/01/96/836590196.db2.gz ZUXDMJXHKDSZEZ-WMLDXEAASA-N 1 1 387.505 3.995 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473495787 844186263 /nfs/dbraw/zinc/18/62/63/844186263.db2.gz DPYVIMOGPGLBDT-QHCPKHFHSA-N 1 1 393.487 3.652 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247079218 836742692 /nfs/dbraw/zinc/74/26/92/836742692.db2.gz QUBLENXNJQOKBY-DYESRHJHSA-N 1 1 397.450 3.861 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000180255064 836880378 /nfs/dbraw/zinc/88/03/78/836880378.db2.gz DQWXJVJBNSCYRV-YOEHRIQHSA-N 1 1 377.510 3.652 20 5 GHBDMO C[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000177661082 836971379 /nfs/dbraw/zinc/97/13/79/836971379.db2.gz RUJPPLGLXXEUBW-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO Cc1ccc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000066676454 837162456 /nfs/dbraw/zinc/16/24/56/837162456.db2.gz MURYBLIICSBQAQ-UHFFFAOYSA-N 1 1 381.476 3.887 20 5 GHBDMO C[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180458958 837281562 /nfs/dbraw/zinc/28/15/62/837281562.db2.gz PYAWLIRMHJRKDO-LBPRGKRZSA-N 1 1 382.445 3.668 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000412240755 837884963 /nfs/dbraw/zinc/88/49/63/837884963.db2.gz GVRQENGYAURUPZ-NVXWUHKLSA-N 1 1 389.496 3.765 20 5 GHBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255959456 837902075 /nfs/dbraw/zinc/90/20/75/837902075.db2.gz JARHQXCAYFGGFV-QZTJIDSGSA-N 1 1 397.258 3.871 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837734 837920502 /nfs/dbraw/zinc/92/05/02/837920502.db2.gz WUJLEKNJILTRCW-CQSZACIVSA-N 1 1 393.447 3.678 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473501863 844289151 /nfs/dbraw/zinc/28/91/51/844289151.db2.gz ICQBHFSSRAEGDC-QFIPXVFZSA-N 1 1 379.460 3.723 20 5 GHBDMO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000610001716 838276358 /nfs/dbraw/zinc/27/63/58/838276358.db2.gz ONHHKIPNTUIOTK-FQEVSTJZSA-N 1 1 384.411 3.568 20 5 GHBDMO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000610001716 838276362 /nfs/dbraw/zinc/27/63/62/838276362.db2.gz ONHHKIPNTUIOTK-FQEVSTJZSA-N 1 1 384.411 3.568 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000610003400 838277657 /nfs/dbraw/zinc/27/76/57/838277657.db2.gz BJNYMDYPQPRQFB-OAQYLSRUSA-N 1 1 396.491 3.619 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1)[NH+]1CCOCC1 ZINC000535695493 844315738 /nfs/dbraw/zinc/31/57/38/844315738.db2.gz DBSZNNVYFVIQCZ-CQSZACIVSA-N 1 1 394.431 3.722 20 5 GHBDMO COc1c(C)cnc(CN2CCC([N@@H+](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000104074508 838617392 /nfs/dbraw/zinc/61/73/92/838617392.db2.gz HLQPCLLLPJUMPF-UHFFFAOYSA-N 1 1 398.507 3.712 20 5 GHBDMO C[C@@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000472953897 838754127 /nfs/dbraw/zinc/75/41/27/838754127.db2.gz BKBKCCVGWUKSGJ-DLBZAZTESA-N 1 1 384.480 3.866 20 5 GHBDMO CC(C)c1ccc([C@@H]([NH3+])CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414846625 838887793 /nfs/dbraw/zinc/88/77/93/838887793.db2.gz NRSVFZWGFUWOSA-NRFANRHFSA-N 1 1 393.491 3.908 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549166322 839133401 /nfs/dbraw/zinc/13/34/01/839133401.db2.gz PGGQNYWHXXFPOY-NRFANRHFSA-N 1 1 383.492 3.994 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412155175 839841952 /nfs/dbraw/zinc/84/19/52/839841952.db2.gz DIYIHMZSSTZDKI-ZJMJOCHXSA-N 1 1 393.487 3.725 20 5 GHBDMO Cc1cn(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728706651 839973307 /nfs/dbraw/zinc/97/33/07/839973307.db2.gz MCIATORCBHACAS-GOSISDBHSA-N 1 1 378.432 3.650 20 5 GHBDMO Cc1cn(C[N@H+]2CCC[C@@H]2c2ccccc2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728706651 839973312 /nfs/dbraw/zinc/97/33/12/839973312.db2.gz MCIATORCBHACAS-GOSISDBHSA-N 1 1 378.432 3.650 20 5 GHBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160437 840080328 /nfs/dbraw/zinc/08/03/28/840080328.db2.gz NMTNIWNBVBEZPP-IFXJQAMLSA-N 1 1 375.856 3.950 20 5 GHBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160437 840080341 /nfs/dbraw/zinc/08/03/41/840080341.db2.gz NMTNIWNBVBEZPP-IFXJQAMLSA-N 1 1 375.856 3.950 20 5 GHBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000535808261 844509295 /nfs/dbraw/zinc/50/92/95/844509295.db2.gz ZKNWDWFEKQKMFZ-FQEVSTJZSA-N 1 1 399.491 3.990 20 5 GHBDMO Cc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000015102798 840227330 /nfs/dbraw/zinc/22/73/30/840227330.db2.gz RNTABDFFLNCOEF-CQSZACIVSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1ccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000015102798 840227336 /nfs/dbraw/zinc/22/73/36/840227336.db2.gz RNTABDFFLNCOEF-CQSZACIVSA-N 1 1 391.855 3.894 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000177859668 840411064 /nfs/dbraw/zinc/41/10/64/840411064.db2.gz SJEHPNHDHRSRLU-KRWDZBQOSA-N 1 1 388.512 3.781 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000155935238 840491126 /nfs/dbraw/zinc/49/11/26/840491126.db2.gz OWHXLGYACMHGTE-UHFFFAOYSA-N 1 1 392.500 3.506 20 5 GHBDMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000477012532 840497001 /nfs/dbraw/zinc/49/70/01/840497001.db2.gz SMBSURQDAURHAU-CHWSQXEVSA-N 1 1 375.856 3.971 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000511773823 840708079 /nfs/dbraw/zinc/70/80/79/840708079.db2.gz WLBTWTCWUZBYIC-HXUWFJFHSA-N 1 1 381.476 3.554 20 5 GHBDMO CCOc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000511786893 840754563 /nfs/dbraw/zinc/75/45/63/840754563.db2.gz OFTDISGCKXYIKS-VAMGGRTRSA-N 1 1 382.460 3.998 20 5 GHBDMO Cc1ccc(C[C@H]2CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000581209294 840854309 /nfs/dbraw/zinc/85/43/09/840854309.db2.gz LSTPRZTYKFLZMR-TZIWHRDSSA-N 1 1 384.476 3.598 20 5 GHBDMO O=[N+]([O-])c1cccc2c(NCc3ccccc3C[N@@H+]3CCC[C@H]3CO)ccnc21 ZINC000432171202 840922793 /nfs/dbraw/zinc/92/27/93/840922793.db2.gz YYASKVSZCHFIAA-SFHVURJKSA-N 1 1 392.459 3.712 20 5 GHBDMO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1noc(-c2ccccc2)n1 ZINC000124517092 840988670 /nfs/dbraw/zinc/98/86/70/840988670.db2.gz DFPFEFWFGDQCST-HNNXBMFYSA-N 1 1 393.447 3.964 20 5 GHBDMO CN(C/C=C\C[N@H+](C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000255296775 841162421 /nfs/dbraw/zinc/16/24/21/841162421.db2.gz VZGSRSJNVZICAH-FPLPWBNLSA-N 1 1 384.436 3.623 20 5 GHBDMO CN(C/C=C\C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000255296775 841162433 /nfs/dbraw/zinc/16/24/33/841162433.db2.gz VZGSRSJNVZICAH-FPLPWBNLSA-N 1 1 384.436 3.623 20 5 GHBDMO CN1C[C@H]([N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1=O ZINC000600178248 861194162 /nfs/dbraw/zinc/19/41/62/861194162.db2.gz IXIFDFMGDLPVRP-CYBMUJFWSA-N 1 1 377.828 3.561 20 5 GHBDMO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500119635 841482522 /nfs/dbraw/zinc/48/25/22/841482522.db2.gz VSEOADCLHVRIJH-LBPRGKRZSA-N 1 1 375.375 3.821 20 5 GHBDMO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500119635 841482528 /nfs/dbraw/zinc/48/25/28/841482528.db2.gz VSEOADCLHVRIJH-LBPRGKRZSA-N 1 1 375.375 3.821 20 5 GHBDMO C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700666 861210709 /nfs/dbraw/zinc/21/07/09/861210709.db2.gz FRHZGIPVTBBZHR-WBVHZDCISA-N 1 1 384.480 3.992 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178047678 841617710 /nfs/dbraw/zinc/61/77/10/841617710.db2.gz IXLHPNJLJOKHBR-KRWDZBQOSA-N 1 1 397.475 3.636 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178047678 841617715 /nfs/dbraw/zinc/61/77/15/841617715.db2.gz IXLHPNJLJOKHBR-KRWDZBQOSA-N 1 1 397.475 3.636 20 5 GHBDMO C[C@H](NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055466389 861221036 /nfs/dbraw/zinc/22/10/36/861221036.db2.gz LSNRSXNNFGKRTF-BBWFWOEESA-N 1 1 397.475 3.695 20 5 GHBDMO C[C@H](NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055466389 861221054 /nfs/dbraw/zinc/22/10/54/861221054.db2.gz LSNRSXNNFGKRTF-BBWFWOEESA-N 1 1 397.475 3.695 20 5 GHBDMO COc1ccccc1[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000477310088 841984023 /nfs/dbraw/zinc/98/40/23/841984023.db2.gz RQQDMQCLRHPKAW-INIZCTEOSA-N 1 1 391.855 3.598 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000896624959 861261770 /nfs/dbraw/zinc/26/17/70/861261770.db2.gz ZFSFBAPABSFWFI-BDAKNGLRSA-N 1 1 378.231 3.595 20 5 GHBDMO Cc1cc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc([N+](=O)[O-])c1 ZINC000581841360 842274889 /nfs/dbraw/zinc/27/48/89/842274889.db2.gz FOZAMNFWBDKSPB-LJQANCHMSA-N 1 1 379.416 3.757 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726119 842330378 /nfs/dbraw/zinc/33/03/78/842330378.db2.gz REZRFFMKTJYUPE-QGZVFWFLSA-N 1 1 389.521 3.797 20 5 GHBDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726119 842330434 /nfs/dbraw/zinc/33/04/34/842330434.db2.gz REZRFFMKTJYUPE-QGZVFWFLSA-N 1 1 389.521 3.797 20 5 GHBDMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726119 842330448 /nfs/dbraw/zinc/33/04/48/842330448.db2.gz REZRFFMKTJYUPE-QGZVFWFLSA-N 1 1 389.521 3.797 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)o2)cc1 ZINC000182054969 842519414 /nfs/dbraw/zinc/51/94/14/842519414.db2.gz HKVCFUQZKRECQF-UHFFFAOYSA-N 1 1 378.432 3.568 20 5 GHBDMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](O)COCc1ccccc1 ZINC000511956817 842560368 /nfs/dbraw/zinc/56/03/68/842560368.db2.gz KUWPXVBEHMGFLL-FQEVSTJZSA-N 1 1 396.443 3.864 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+]([C@@H]3CCCOC3)CC2)s1 ZINC000610559964 842638310 /nfs/dbraw/zinc/63/83/10/842638310.db2.gz CLYSANIWWATGEH-MRXNPFEDSA-N 1 1 387.505 3.620 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN([C@@H]3CCCOC3)CC2)s1 ZINC000610559964 842638319 /nfs/dbraw/zinc/63/83/19/842638319.db2.gz CLYSANIWWATGEH-MRXNPFEDSA-N 1 1 387.505 3.620 20 5 GHBDMO CC(C)c1ccc(OC2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000603890445 861334626 /nfs/dbraw/zinc/33/46/26/861334626.db2.gz OEXLMKRGWGASAO-UHFFFAOYSA-N 1 1 397.475 3.861 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000430785414 842971588 /nfs/dbraw/zinc/97/15/88/842971588.db2.gz VNGKMKCJCPJZII-HNNXBMFYSA-N 1 1 394.431 3.654 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276766210 843034074 /nfs/dbraw/zinc/03/40/74/843034074.db2.gz ASJOGYAILRPKPQ-GOSISDBHSA-N 1 1 386.452 3.642 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276766210 843034085 /nfs/dbraw/zinc/03/40/85/843034085.db2.gz ASJOGYAILRPKPQ-GOSISDBHSA-N 1 1 386.452 3.642 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302835189 861380723 /nfs/dbraw/zinc/38/07/23/861380723.db2.gz UVUNVRASBLWVNK-ICSRJNTNSA-N 1 1 382.464 3.590 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000603919633 861401670 /nfs/dbraw/zinc/40/16/70/861401670.db2.gz STUKJJWGQCTTBR-ZWKOTPCHSA-N 1 1 380.448 3.695 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512285024 843319098 /nfs/dbraw/zinc/31/90/98/843319098.db2.gz FSVVFTUVQPCTAO-QFIPXVFZSA-N 1 1 381.476 3.701 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000610661435 843430598 /nfs/dbraw/zinc/43/05/98/843430598.db2.gz JJKGSVLTLACYPI-SFHVURJKSA-N 1 1 382.464 3.950 20 5 GHBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000512403037 843664254 /nfs/dbraw/zinc/66/42/54/843664254.db2.gz JFIVMLYZSIZLIY-YWPBOTNQSA-N 1 1 384.411 3.643 20 5 GHBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000512403037 843664256 /nfs/dbraw/zinc/66/42/56/843664256.db2.gz JFIVMLYZSIZLIY-YWPBOTNQSA-N 1 1 384.411 3.643 20 5 GHBDMO Cc1cnc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000433288609 843975987 /nfs/dbraw/zinc/97/59/87/843975987.db2.gz RQPRRQQHNMUDJO-CQSZACIVSA-N 1 1 388.493 3.875 20 5 GHBDMO CCOc1cc(C[NH2+][C@](C)(CC(=O)OC)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000513160764 844770292 /nfs/dbraw/zinc/77/02/92/844770292.db2.gz QKHHRCNKPABFDH-HXUWFJFHSA-N 1 1 390.411 3.701 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000729265288 844819968 /nfs/dbraw/zinc/81/99/68/844819968.db2.gz CYEBVZUQRKWMKF-LZWOXQAQSA-N 1 1 394.903 3.524 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000599681764 861522186 /nfs/dbraw/zinc/52/21/86/861522186.db2.gz ZYBCHLFFDHBFBU-ZFWWWQNUSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000599681764 861522191 /nfs/dbraw/zinc/52/21/91/861522191.db2.gz ZYBCHLFFDHBFBU-ZFWWWQNUSA-N 1 1 387.411 3.559 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000458333347 845038694 /nfs/dbraw/zinc/03/86/94/845038694.db2.gz OTDFBJDRMBAKSW-IEBWSBKVSA-N 1 1 388.512 3.604 20 5 GHBDMO CO[C@H](C)C[N@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000513227723 845093162 /nfs/dbraw/zinc/09/31/62/845093162.db2.gz FLUNHBDIYDECAG-ACJLOTCBSA-N 1 1 391.855 3.895 20 5 GHBDMO CO[C@H](C)C[N@@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000513227723 845093165 /nfs/dbraw/zinc/09/31/65/845093165.db2.gz FLUNHBDIYDECAG-ACJLOTCBSA-N 1 1 391.855 3.895 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000604012559 861573918 /nfs/dbraw/zinc/57/39/18/861573918.db2.gz PLQAOYBOBUFFOP-IBGZPJMESA-N 1 1 384.432 3.972 20 5 GHBDMO C[C@@H](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000472054298 845621710 /nfs/dbraw/zinc/62/17/10/845621710.db2.gz RAXLBEAZFGOARE-HNNXBMFYSA-N 1 1 380.448 3.717 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000611321631 846137094 /nfs/dbraw/zinc/13/70/94/846137094.db2.gz BVXUAGJUZGFNPF-OAHLLOKOSA-N 1 1 387.436 3.661 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000611321631 846137102 /nfs/dbraw/zinc/13/71/02/846137102.db2.gz BVXUAGJUZGFNPF-OAHLLOKOSA-N 1 1 387.436 3.661 20 5 GHBDMO Cc1ccc([C@H](NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000511060729 846158875 /nfs/dbraw/zinc/15/88/75/846158875.db2.gz VKGITIGGWSCPGS-QFIPXVFZSA-N 1 1 381.476 3.645 20 5 GHBDMO Cc1ccc([C@H](NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000511060729 846158876 /nfs/dbraw/zinc/15/88/76/846158876.db2.gz VKGITIGGWSCPGS-QFIPXVFZSA-N 1 1 381.476 3.645 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000421490454 846283018 /nfs/dbraw/zinc/28/30/18/846283018.db2.gz YMIXATPNFTYUFS-YLJYHZDGSA-N 1 1 381.476 3.852 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000421699822 846507062 /nfs/dbraw/zinc/50/70/62/846507062.db2.gz BZOSHPWNKITDRO-INIZCTEOSA-N 1 1 399.447 3.562 20 5 GHBDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000501050829 846578262 /nfs/dbraw/zinc/57/82/62/846578262.db2.gz HTLRLHBSXKACHA-HUUCEWRRSA-N 1 1 383.448 3.940 20 5 GHBDMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511095014 846705642 /nfs/dbraw/zinc/70/56/42/846705642.db2.gz ZHEHFNCPXKTRIM-OAHLLOKOSA-N 1 1 389.883 3.942 20 5 GHBDMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511095014 846705651 /nfs/dbraw/zinc/70/56/51/846705651.db2.gz ZHEHFNCPXKTRIM-OAHLLOKOSA-N 1 1 389.883 3.942 20 5 GHBDMO CC[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000604075475 861712552 /nfs/dbraw/zinc/71/25/52/861712552.db2.gz UKPNONLKROJMIA-UZLBHIALSA-N 1 1 396.491 3.792 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000478160503 846988943 /nfs/dbraw/zinc/98/89/43/846988943.db2.gz DCIIBASLKIAUFY-MRXNPFEDSA-N 1 1 385.489 3.711 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000478281017 847040875 /nfs/dbraw/zinc/04/08/75/847040875.db2.gz TZFNAIJIZPZDNI-CYBMUJFWSA-N 1 1 386.260 3.858 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506929 861753172 /nfs/dbraw/zinc/75/31/72/861753172.db2.gz BCHUITVUXKDQNY-MOPGFXCFSA-N 1 1 375.513 3.950 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000277597240 847221128 /nfs/dbraw/zinc/22/11/28/847221128.db2.gz TVDBRPOTKDBBLM-KRWDZBQOSA-N 1 1 375.472 3.840 20 5 GHBDMO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126433 847257266 /nfs/dbraw/zinc/25/72/66/847257266.db2.gz PYVOFPXMALTXQW-QAPCUYQASA-N 1 1 387.505 3.883 20 5 GHBDMO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126433 847257275 /nfs/dbraw/zinc/25/72/75/847257275.db2.gz PYVOFPXMALTXQW-QAPCUYQASA-N 1 1 387.505 3.883 20 5 GHBDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501869536 847275955 /nfs/dbraw/zinc/27/59/55/847275955.db2.gz ILZWFPMRJNWQFV-GOSISDBHSA-N 1 1 391.855 3.896 20 5 GHBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000137214701 847377331 /nfs/dbraw/zinc/37/73/31/847377331.db2.gz IBYPQORUVGPTMH-AWEZNQCLSA-N 1 1 390.509 3.914 20 5 GHBDMO Cc1c(CNC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000479728398 847823135 /nfs/dbraw/zinc/82/31/35/847823135.db2.gz HAXQAEGTZSLPPV-FXAWDEMLSA-N 1 1 396.491 3.613 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000135631155 848231942 /nfs/dbraw/zinc/23/19/42/848231942.db2.gz FZSDVNOFUUWYDY-UHFFFAOYSA-N 1 1 399.516 3.885 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612132946 848496353 /nfs/dbraw/zinc/49/63/53/848496353.db2.gz NNFYMEMMXKGDHZ-YUXAGFNASA-N 1 1 393.487 3.934 20 5 GHBDMO CSCC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nnc2ccccn21 ZINC000582856904 848571844 /nfs/dbraw/zinc/57/18/44/848571844.db2.gz UICYGJICCXUFAS-HOTGVXAUSA-N 1 1 383.477 3.709 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](CC)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000178712101 848671325 /nfs/dbraw/zinc/67/13/25/848671325.db2.gz DPSSLONSHVUKEF-CQSZACIVSA-N 1 1 387.436 3.721 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000178712101 848671329 /nfs/dbraw/zinc/67/13/29/848671329.db2.gz DPSSLONSHVUKEF-CQSZACIVSA-N 1 1 387.436 3.721 20 5 GHBDMO CSc1ccc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1[N+](=O)[O-] ZINC000278019607 848886263 /nfs/dbraw/zinc/88/62/63/848886263.db2.gz GEEMCZASMZPQBD-UHFFFAOYSA-N 1 1 387.461 3.704 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3ncc(Cl)cc3[N+](=O)[O-])CC2)cs1 ZINC000153750262 848976770 /nfs/dbraw/zinc/97/67/70/848976770.db2.gz DIGHLYHFYKCLNX-UHFFFAOYSA-N 1 1 395.916 3.986 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000434901728 849884340 /nfs/dbraw/zinc/88/43/40/849884340.db2.gz YOFJSIJZMWZZQH-YJBOKZPZSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434907289 849889195 /nfs/dbraw/zinc/88/91/95/849889195.db2.gz WRYIJTVQRJQFTQ-RLFYNMQTSA-N 1 1 383.448 3.808 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426497431 850414951 /nfs/dbraw/zinc/41/49/51/850414951.db2.gz KYVXUVBTHYENNE-QFIPXVFZSA-N 1 1 398.459 3.529 20 5 GHBDMO CCOc1ccc([C@H](C)NCC2([NH+](C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000504920433 850430944 /nfs/dbraw/zinc/43/09/44/850430944.db2.gz OUHXQVHTYQCCCA-INIZCTEOSA-N 1 1 383.492 3.743 20 5 GHBDMO COCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccnn1C ZINC000426514561 850509931 /nfs/dbraw/zinc/50/99/31/850509931.db2.gz DUARLPQEALLCNR-UHFFFAOYSA-N 1 1 386.477 3.705 20 5 GHBDMO COCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccnn1C ZINC000426514561 850509938 /nfs/dbraw/zinc/50/99/38/850509938.db2.gz DUARLPQEALLCNR-UHFFFAOYSA-N 1 1 386.477 3.705 20 5 GHBDMO C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487273769 850632907 /nfs/dbraw/zinc/63/29/07/850632907.db2.gz VCNQHIWXXFPCKW-HOCLYGCPSA-N 1 1 387.867 3.889 20 5 GHBDMO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000425402603 850781733 /nfs/dbraw/zinc/78/17/33/850781733.db2.gz IVOIDXBYTWAFCU-KRWDZBQOSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000425402603 850781746 /nfs/dbraw/zinc/78/17/46/850781746.db2.gz IVOIDXBYTWAFCU-KRWDZBQOSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000425464769 851197812 /nfs/dbraw/zinc/19/78/12/851197812.db2.gz YGOQRBQDQVQOOY-MRXNPFEDSA-N 1 1 395.253 3.579 20 5 GHBDMO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000425464768 851197937 /nfs/dbraw/zinc/19/79/37/851197937.db2.gz YGOQRBQDQVQOOY-INIZCTEOSA-N 1 1 395.253 3.579 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514104999 851241499 /nfs/dbraw/zinc/24/14/99/851241499.db2.gz OBKVDJCVKHCCDL-IBGZPJMESA-N 1 1 380.423 3.878 20 5 GHBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCN2C2CCCCC2)n1 ZINC000436287980 851422206 /nfs/dbraw/zinc/42/22/06/851422206.db2.gz DKEBMRHDZIOESR-GUDVDZBRSA-N 1 1 375.517 3.662 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000488484710 851555670 /nfs/dbraw/zinc/55/56/70/851555670.db2.gz XORMSWTYSFEHMJ-KBXCAEBGSA-N 1 1 387.867 3.889 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000488485941 851557447 /nfs/dbraw/zinc/55/74/47/851557447.db2.gz WLUPXXKOZUDCQH-FOIQADDNSA-N 1 1 392.459 3.717 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505834055 851982031 /nfs/dbraw/zinc/98/20/31/851982031.db2.gz RRRURUOTHKUSMC-QGZVFWFLSA-N 1 1 383.448 3.633 20 5 GHBDMO Cc1ccc(O[C@@H](C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000516100394 852139281 /nfs/dbraw/zinc/13/92/81/852139281.db2.gz OGWAPQUDXBSYNG-JXFKEZNVSA-N 1 1 380.448 3.783 20 5 GHBDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000481832766 862360641 /nfs/dbraw/zinc/36/06/41/862360641.db2.gz PXGOPVTZOZIQGV-AWEZNQCLSA-N 1 1 381.274 3.507 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000516379495 852479718 /nfs/dbraw/zinc/47/97/18/852479718.db2.gz SLEANZMGVWWQGY-MRXNPFEDSA-N 1 1 385.489 3.960 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438496521 852485236 /nfs/dbraw/zinc/48/52/36/852485236.db2.gz YKIVBJIKVMWHQJ-BTYIYWSLSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438496521 852485239 /nfs/dbraw/zinc/48/52/39/852485239.db2.gz YKIVBJIKVMWHQJ-BTYIYWSLSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507195659 852666580 /nfs/dbraw/zinc/66/65/80/852666580.db2.gz KELYCWGNDXLLJJ-HZPDHXFCSA-N 1 1 383.448 3.728 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000489960173 852675389 /nfs/dbraw/zinc/67/53/89/852675389.db2.gz VGSGVFYCHRFREO-INIZCTEOSA-N 1 1 379.526 3.899 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490017046 852724870 /nfs/dbraw/zinc/72/48/70/852724870.db2.gz XMEOMIKRXMYLIP-VQIMIIECSA-N 1 1 396.491 3.650 20 5 GHBDMO CNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000490137414 852786773 /nfs/dbraw/zinc/78/67/73/852786773.db2.gz QVFHIAPCJAQSTJ-OAQYLSRUSA-N 1 1 375.428 3.834 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000490434602 853027578 /nfs/dbraw/zinc/02/75/78/853027578.db2.gz XTPYOYCCVYAYAX-AUUYWEPGSA-N 1 1 397.500 3.959 20 5 GHBDMO COc1ccc(CNC[C@H]2CCC[N@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000108428917 853072324 /nfs/dbraw/zinc/07/23/24/853072324.db2.gz QNHCDHQLVXNAPT-LJQANCHMSA-N 1 1 399.491 3.614 20 5 GHBDMO COc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000108428917 853072329 /nfs/dbraw/zinc/07/23/29/853072329.db2.gz QNHCDHQLVXNAPT-LJQANCHMSA-N 1 1 399.491 3.614 20 5 GHBDMO COc1ccc(C[NH2+]C[C@H]2CCCN(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000108428917 853072330 /nfs/dbraw/zinc/07/23/30/853072330.db2.gz QNHCDHQLVXNAPT-LJQANCHMSA-N 1 1 399.491 3.614 20 5 GHBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481868139 862432212 /nfs/dbraw/zinc/43/22/12/862432212.db2.gz MWXNMOFNIDJPHW-LAUBAEHRSA-N 1 1 397.450 3.861 20 5 GHBDMO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000518262946 853152501 /nfs/dbraw/zinc/15/25/01/853152501.db2.gz YMTQCRHMSQTVAT-UHFFFAOYSA-N 1 1 383.448 3.825 20 5 GHBDMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000518262946 853152502 /nfs/dbraw/zinc/15/25/02/853152502.db2.gz YMTQCRHMSQTVAT-UHFFFAOYSA-N 1 1 383.448 3.825 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000439322402 853543805 /nfs/dbraw/zinc/54/38/05/853543805.db2.gz VPKYSCMPTGPZGG-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000439322402 853543810 /nfs/dbraw/zinc/54/38/10/853543810.db2.gz VPKYSCMPTGPZGG-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000171584432 862492090 /nfs/dbraw/zinc/49/20/90/862492090.db2.gz HEDAXJIIHNBJSW-CYBMUJFWSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171587715 862497332 /nfs/dbraw/zinc/49/73/32/862497332.db2.gz UJPCFFHRNBIGCH-CYBMUJFWSA-N 1 1 381.448 3.859 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2c1 ZINC000588072475 854094853 /nfs/dbraw/zinc/09/48/53/854094853.db2.gz JROPEUKNQRLGEZ-JOCHJYFZSA-N 1 1 389.459 3.640 20 5 GHBDMO C[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000055900259 854218782 /nfs/dbraw/zinc/21/87/82/854218782.db2.gz JDSQATVPPPACET-UHFFFAOYSA-N 1 1 393.896 3.717 20 5 GHBDMO C[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000055900259 854218784 /nfs/dbraw/zinc/21/87/84/854218784.db2.gz JDSQATVPPPACET-UHFFFAOYSA-N 1 1 393.896 3.717 20 5 GHBDMO COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)[NH+]2CCCC2)cc1 ZINC000045116105 854250313 /nfs/dbraw/zinc/25/03/13/854250313.db2.gz QQKQEYZCPGTRTA-QGZVFWFLSA-N 1 1 389.477 3.540 20 5 GHBDMO CC(C)OCC[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000184479217 854404262 /nfs/dbraw/zinc/40/42/62/854404262.db2.gz YCQHAFBRJCVJMW-SFHVURJKSA-N 1 1 391.855 3.943 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000589200099 854745433 /nfs/dbraw/zinc/74/54/33/854745433.db2.gz PVYUTMZHYWHDNH-DLBZAZTESA-N 1 1 384.480 3.634 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000056527643 854780097 /nfs/dbraw/zinc/78/00/97/854780097.db2.gz IQYDWULRUAIXKY-UHFFFAOYSA-N 1 1 390.484 3.723 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCCc3cc(OC)ccc32)c1 ZINC000589496480 854909246 /nfs/dbraw/zinc/90/92/46/854909246.db2.gz XGRYJGWTHWZMKU-HXUWFJFHSA-N 1 1 384.432 3.899 20 5 GHBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2cccc3ccccc32)C2CCCC2)c1 ZINC000441477330 855212477 /nfs/dbraw/zinc/21/24/77/855212477.db2.gz UTWLMWFHHSGPBP-OAQYLSRUSA-N 1 1 394.475 3.750 20 5 GHBDMO O=[N+]([O-])c1ccsc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000590145525 855297152 /nfs/dbraw/zinc/29/71/52/855297152.db2.gz FLQMDEAAGYHIJH-QGZVFWFLSA-N 1 1 387.505 3.997 20 5 GHBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000507803612 856105048 /nfs/dbraw/zinc/10/50/48/856105048.db2.gz KUFKBNBOICDVIE-DENIHFKCSA-N 1 1 379.460 3.513 20 5 GHBDMO CC(C)NC(=O)c1ccc(NC[C@H](C)[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000026730081 856250627 /nfs/dbraw/zinc/25/06/27/856250627.db2.gz LPAJRVNKDZRHMP-INIZCTEOSA-N 1 1 396.491 3.592 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+]3CC=C(c4ccnn4C)CC3)o2)c([N+](=O)[O-])c1 ZINC000554872719 856387919 /nfs/dbraw/zinc/38/79/19/856387919.db2.gz GEYNZOKTYZEULL-UHFFFAOYSA-N 1 1 394.431 3.886 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429234328 856462782 /nfs/dbraw/zinc/46/27/82/856462782.db2.gz GTOZOGKIOFQJRS-UHFFFAOYSA-N 1 1 377.828 3.720 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000485532874 856706730 /nfs/dbraw/zinc/70/67/30/856706730.db2.gz PDEZVZCTBIWERI-HOTGVXAUSA-N 1 1 383.448 3.765 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 ZINC000592187238 856790294 /nfs/dbraw/zinc/79/02/94/856790294.db2.gz MSGFBHZWQFJCBX-CTNGQTDRSA-N 1 1 380.444 3.728 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000245455034 856873719 /nfs/dbraw/zinc/87/37/19/856873719.db2.gz SHZAHEVDKCLEPJ-QRWLVFNGSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000245455034 856873723 /nfs/dbraw/zinc/87/37/23/856873723.db2.gz SHZAHEVDKCLEPJ-QRWLVFNGSA-N 1 1 383.448 3.694 20 5 GHBDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)CC2 ZINC000245455704 856875922 /nfs/dbraw/zinc/87/59/22/856875922.db2.gz SSHOKVIHSJQZEB-UXLLHSPISA-N 1 1 377.510 3.549 20 5 GHBDMO CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000485645296 856896300 /nfs/dbraw/zinc/89/63/00/856896300.db2.gz URECIAZZOMEQLL-GOSISDBHSA-N 1 1 396.491 3.694 20 5 GHBDMO CCC[C@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000245653789 857057733 /nfs/dbraw/zinc/05/77/33/857057733.db2.gz CHHRIEIGCYCGNB-SFTDATJTSA-N 1 1 396.491 3.998 20 5 GHBDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000593041246 857195539 /nfs/dbraw/zinc/19/55/39/857195539.db2.gz PBRCOKWIKVDMIA-NRFANRHFSA-N 1 1 399.422 3.696 20 5 GHBDMO Cc1c([C@H](C)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000245933210 857203412 /nfs/dbraw/zinc/20/34/12/857203412.db2.gz VZWCDXOSVLMSHS-YWZLYKJASA-N 1 1 382.464 3.526 20 5 GHBDMO C[N@@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](c2ccccc2)C1 ZINC000246017958 857215245 /nfs/dbraw/zinc/21/52/45/857215245.db2.gz ZYQNYNYGHRDDMN-HXUWFJFHSA-N 1 1 378.432 3.739 20 5 GHBDMO C[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](c2ccccc2)C1 ZINC000246017958 857215251 /nfs/dbraw/zinc/21/52/51/857215251.db2.gz ZYQNYNYGHRDDMN-HXUWFJFHSA-N 1 1 378.432 3.739 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978622 857243730 /nfs/dbraw/zinc/24/37/30/857243730.db2.gz SBDRBHVTCUVWKS-UHFFFAOYSA-N 1 1 399.447 3.550 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000552934729 857281353 /nfs/dbraw/zinc/28/13/53/857281353.db2.gz LOSJTXQWYVCVQB-OAHLLOKOSA-N 1 1 398.463 3.620 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000593076397 857338078 /nfs/dbraw/zinc/33/80/78/857338078.db2.gz BDCVZLGMOHMXEQ-DYVFJYSZSA-N 1 1 386.452 3.565 20 5 GHBDMO COCCCC[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000065165788 857459872 /nfs/dbraw/zinc/45/98/72/857459872.db2.gz SOBZMEAXRCEZEJ-UHFFFAOYSA-N 1 1 386.448 3.890 20 5 GHBDMO Cc1nn(C)c(NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000521012448 857498820 /nfs/dbraw/zinc/49/88/20/857498820.db2.gz IEYJYMRMCBGESP-MRXNPFEDSA-N 1 1 377.876 3.757 20 5 GHBDMO COc1cccc([C@H](C)[NH+]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000301754372 857548589 /nfs/dbraw/zinc/54/85/89/857548589.db2.gz WPWSYYDCIWCCFP-ZDUSSCGKSA-N 1 1 376.844 3.535 20 5 GHBDMO Cc1c(CC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000438899567 857579891 /nfs/dbraw/zinc/57/98/91/857579891.db2.gz YYGCGOAFBVSLOR-QGZVFWFLSA-N 1 1 395.503 3.994 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000486420835 857720159 /nfs/dbraw/zinc/72/01/59/857720159.db2.gz ATPJUEKUBGSXBC-YJBOKZPZSA-N 1 1 399.516 3.957 20 5 GHBDMO C[C@@H]1CN(Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000594489926 858189555 /nfs/dbraw/zinc/18/95/55/858189555.db2.gz HUPRYBACTCZTAK-YVHKJVDXSA-N 1 1 395.503 3.981 20 5 GHBDMO CCOc1ccc(-c2nc(CCCCn3c[nH+]c(C)c3C)no2)cc1[N+](=O)[O-] ZINC000594534370 858213438 /nfs/dbraw/zinc/21/34/38/858213438.db2.gz MJPYNGXMIAOMSQ-UHFFFAOYSA-N 1 1 385.424 3.880 20 5 GHBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000521673567 858231396 /nfs/dbraw/zinc/23/13/96/858231396.db2.gz WEXQSYQAYVGFNE-OKILXGFUSA-N 1 1 388.493 3.711 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000595052124 858381045 /nfs/dbraw/zinc/38/10/45/858381045.db2.gz QSWRFFLCHFCKRX-GLZQIGESSA-N 1 1 378.450 3.589 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccccc2OC(F)F)c1 ZINC000593017880 858536974 /nfs/dbraw/zinc/53/69/74/858536974.db2.gz CSRGQKXBOBSEGR-LLVKDONJSA-N 1 1 380.347 3.834 20 5 GHBDMO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000595777749 858685195 /nfs/dbraw/zinc/68/51/95/858685195.db2.gz JBHMSFTZUUXFLB-HZPDHXFCSA-N 1 1 386.452 3.861 20 5 GHBDMO CC(C)OCc1cccc(CNC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429267029 858868660 /nfs/dbraw/zinc/86/86/60/858868660.db2.gz WDGLIBKMGYKFHA-UHFFFAOYSA-N 1 1 399.491 3.661 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170327259 881364215 /nfs/dbraw/zinc/36/42/15/881364215.db2.gz GLCXTSZIYRHRRV-BBRMVZONSA-N 1 1 380.441 3.560 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170327259 881364235 /nfs/dbraw/zinc/36/42/35/881364235.db2.gz GLCXTSZIYRHRRV-BBRMVZONSA-N 1 1 380.441 3.560 20 5 GHBDMO COc1ccc(C[C@H](C)[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 ZINC001170330106 881369286 /nfs/dbraw/zinc/36/92/86/881369286.db2.gz YVNOHSTUCCKSNQ-AWEZNQCLSA-N 1 1 391.418 3.635 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000596788326 859075616 /nfs/dbraw/zinc/07/56/16/859075616.db2.gz QHBMLUPLFQOERR-LJQANCHMSA-N 1 1 396.491 3.992 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000596788325 859075684 /nfs/dbraw/zinc/07/56/84/859075684.db2.gz QHBMLUPLFQOERR-IBGZPJMESA-N 1 1 396.491 3.992 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cncc(Br)c2)c([N+](=O)[O-])c1 ZINC001170335163 881380588 /nfs/dbraw/zinc/38/05/88/881380588.db2.gz LWXJSKQXTLZXMY-LBPRGKRZSA-N 1 1 394.269 3.824 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)Cc2cc(Br)ccc2F)cc1 ZINC000060377190 859166618 /nfs/dbraw/zinc/16/66/18/859166618.db2.gz PNKCNWFIDKDWQM-UHFFFAOYSA-N 1 1 397.244 3.533 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c([N+](=O)[O-])c1 ZINC001170355655 881399672 /nfs/dbraw/zinc/39/96/72/881399672.db2.gz NZFUFWQDEPHELR-QFBILLFUSA-N 1 1 385.464 3.781 20 5 GHBDMO CC(C)(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1Br ZINC000474150417 859322440 /nfs/dbraw/zinc/32/24/40/859322440.db2.gz BTPVEDMMRYFMND-UHFFFAOYSA-N 1 1 381.274 3.855 20 5 GHBDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000483426761 859357403 /nfs/dbraw/zinc/35/74/03/859357403.db2.gz GBULTYXGIUSKKZ-AWEZNQCLSA-N 1 1 389.839 3.705 20 5 GHBDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1F ZINC000161036767 859498395 /nfs/dbraw/zinc/49/83/95/859498395.db2.gz WOUUTCVZHKVSQY-MEDUHNTESA-N 1 1 393.390 3.950 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(CNCc3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000466453823 859579008 /nfs/dbraw/zinc/57/90/08/859579008.db2.gz HENBQCCCOMKNML-UHFFFAOYSA-N 1 1 380.901 3.761 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007902109 859590610 /nfs/dbraw/zinc/59/06/10/859590610.db2.gz ZLVBBLZWPRHXPR-UHFFFAOYSA-N 1 1 379.363 3.575 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007902109 859590614 /nfs/dbraw/zinc/59/06/14/859590614.db2.gz ZLVBBLZWPRHXPR-UHFFFAOYSA-N 1 1 379.363 3.575 20 5 GHBDMO C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248564915 859620897 /nfs/dbraw/zinc/62/08/97/859620897.db2.gz KNEWWFCHVFHPHI-YESZJQIVSA-N 1 1 391.487 3.950 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611204813 859650382 /nfs/dbraw/zinc/65/03/82/859650382.db2.gz IFILOBICHQDINJ-ZWKOTPCHSA-N 1 1 389.521 3.986 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000474231880 859655024 /nfs/dbraw/zinc/65/50/24/859655024.db2.gz LVBPKXZURNOSGD-LPHOPBHVSA-N 1 1 397.431 3.703 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000474231880 859655028 /nfs/dbraw/zinc/65/50/28/859655028.db2.gz LVBPKXZURNOSGD-LPHOPBHVSA-N 1 1 397.431 3.703 20 5 GHBDMO CCNC(=O)C[N@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000611262360 859671139 /nfs/dbraw/zinc/67/11/39/859671139.db2.gz KKRHYHOMUNWOOQ-UHFFFAOYSA-N 1 1 377.828 3.608 20 5 GHBDMO CCNC(=O)C[N@@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000611262360 859671144 /nfs/dbraw/zinc/67/11/44/859671144.db2.gz KKRHYHOMUNWOOQ-UHFFFAOYSA-N 1 1 377.828 3.608 20 5 GHBDMO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185184486 859671681 /nfs/dbraw/zinc/67/16/81/859671681.db2.gz TWLCAGBOGSVPBG-WMZOPIPTSA-N 1 1 399.466 3.518 20 5 GHBDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000543437184 859700338 /nfs/dbraw/zinc/70/03/38/859700338.db2.gz UJOYLTQCIVXAED-AWEZNQCLSA-N 1 1 381.411 3.560 20 5 GHBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C2 ZINC000597714738 859741893 /nfs/dbraw/zinc/74/18/93/859741893.db2.gz ISSIWZNVUBWMHR-QFIPXVFZSA-N 1 1 395.459 3.945 20 5 GHBDMO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)c1ccccc1 ZINC000428885950 860209020 /nfs/dbraw/zinc/20/90/20/860209020.db2.gz YAPPCNUSQRSREI-CQSZACIVSA-N 1 1 385.420 3.734 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4ccc(F)cn4)CC3)n2)cc1 ZINC000602905865 860357493 /nfs/dbraw/zinc/35/74/93/860357493.db2.gz UPZVLHAGDIFVSU-UHFFFAOYSA-N 1 1 383.383 3.559 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598558829 860394957 /nfs/dbraw/zinc/39/49/57/860394957.db2.gz DRMPLSFXTUSMPN-MRXNPFEDSA-N 1 1 391.537 3.947 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552277518 860415774 /nfs/dbraw/zinc/41/57/74/860415774.db2.gz WZEDMZKGJAKOQB-VQTJNVASSA-N 1 1 385.512 3.518 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1C ZINC000896157676 860424357 /nfs/dbraw/zinc/42/43/57/860424357.db2.gz RAAPWVZSUZOZQF-IBGZPJMESA-N 1 1 381.476 3.506 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Br)cn1 ZINC000598601401 860430092 /nfs/dbraw/zinc/43/00/92/860430092.db2.gz KIIHNDPGNZYFOI-NSHDSACASA-N 1 1 380.242 3.920 20 5 GHBDMO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301415367 860475745 /nfs/dbraw/zinc/47/57/45/860475745.db2.gz FCOKQPWNZQHFRC-MJGOQNOKSA-N 1 1 381.480 3.812 20 5 GHBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1O ZINC000330728784 860529367 /nfs/dbraw/zinc/52/93/67/860529367.db2.gz HEANHSHWJTYQJF-DLBZAZTESA-N 1 1 375.494 3.947 20 5 GHBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1O ZINC000330728784 860529369 /nfs/dbraw/zinc/52/93/69/860529369.db2.gz HEANHSHWJTYQJF-DLBZAZTESA-N 1 1 375.494 3.947 20 5 GHBDMO COc1cc(C[NH2+]Cc2ncc(C)cc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000922741890 860546278 /nfs/dbraw/zinc/54/62/78/860546278.db2.gz BXQIVLHJTDDPEY-UHFFFAOYSA-N 1 1 399.369 3.846 20 5 GHBDMO CC[N@H+](C)Cc1cc(O[C@H]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594217 881566672 /nfs/dbraw/zinc/56/66/72/881566672.db2.gz XVRORTFCDNHYAY-IERDGZPVSA-N 1 1 384.480 3.656 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594217 881566675 /nfs/dbraw/zinc/56/66/75/881566675.db2.gz XVRORTFCDNHYAY-IERDGZPVSA-N 1 1 384.480 3.656 20 5 GHBDMO CN1CC[NH+](Cc2ccc(CNc3ccc4cnccc4c3[N+](=O)[O-])cc2)CC1 ZINC000599018609 860741829 /nfs/dbraw/zinc/74/18/29/860741829.db2.gz BBCPCSXPKXIDRC-UHFFFAOYSA-N 1 1 391.475 3.503 20 5 GHBDMO Cc1ccc(N(C)[C@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001168414843 860859501 /nfs/dbraw/zinc/85/95/01/860859501.db2.gz UPSXSYCRRDRWFJ-NRFANRHFSA-N 1 1 396.491 3.833 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000593695924 860915344 /nfs/dbraw/zinc/91/53/44/860915344.db2.gz WUBDPYZBGDTQHF-CQSZACIVSA-N 1 1 396.312 3.776 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000593695924 860915355 /nfs/dbraw/zinc/91/53/55/860915355.db2.gz WUBDPYZBGDTQHF-CQSZACIVSA-N 1 1 396.312 3.776 20 5 GHBDMO Cc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)c(N2CCCC2)[nH+]1 ZINC000302049149 861184032 /nfs/dbraw/zinc/18/40/32/861184032.db2.gz MSBWAFSVBBJIIP-UHFFFAOYSA-N 1 1 392.257 3.668 20 5 GHBDMO Cc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302042871 861185223 /nfs/dbraw/zinc/18/52/23/861185223.db2.gz IZXQXWGMKBERDF-GOSISDBHSA-N 1 1 392.459 3.630 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H]1c1ccccc1 ZINC000444294481 863845077 /nfs/dbraw/zinc/84/50/77/863845077.db2.gz YOTQWGWNPXASRK-XZOQPEGZSA-N 1 1 397.478 3.857 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H]1c1ccccc1 ZINC000444294481 863845095 /nfs/dbraw/zinc/84/50/95/863845095.db2.gz YOTQWGWNPXASRK-XZOQPEGZSA-N 1 1 397.478 3.857 20 5 GHBDMO Cc1c(Cl)cccc1N1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000792887608 881773635 /nfs/dbraw/zinc/77/36/35/881773635.db2.gz JAQZEWHCRWRJAI-FQEVSTJZSA-N 1 1 389.883 3.802 20 5 GHBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475312287 864762688 /nfs/dbraw/zinc/76/26/88/864762688.db2.gz MEDFDYPNSBERRS-GOSISDBHSA-N 1 1 387.867 3.524 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCCCCn1cccn1)CC2 ZINC000792915892 881810513 /nfs/dbraw/zinc/81/05/13/881810513.db2.gz VZVFIVUVKKYMPI-UHFFFAOYSA-N 1 1 393.285 3.782 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCCCCn1cccn1)CC2 ZINC000792915892 881810530 /nfs/dbraw/zinc/81/05/30/881810530.db2.gz VZVFIVUVKKYMPI-UHFFFAOYSA-N 1 1 393.285 3.782 20 5 GHBDMO COc1cc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000554874622 865073389 /nfs/dbraw/zinc/07/33/89/865073389.db2.gz ZDIPCQCOGJTLJI-KDURUIRLSA-N 1 1 386.448 3.792 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000252152035 881865470 /nfs/dbraw/zinc/86/54/70/881865470.db2.gz OSCFDLXAQDRILE-FZKCQIBNSA-N 1 1 379.526 3.558 20 5 GHBDMO Cc1cc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302171991 865747556 /nfs/dbraw/zinc/74/75/56/865747556.db2.gz MFFDWDAAKFBJCM-IAGOWNOFSA-N 1 1 398.507 3.777 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000555307806 865877152 /nfs/dbraw/zinc/87/71/52/865877152.db2.gz WMYPUTZHQYCHFN-HNNXBMFYSA-N 1 1 385.489 3.886 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000555312858 865887268 /nfs/dbraw/zinc/88/72/68/865887268.db2.gz GJBXSSBNEPYYHZ-LLGFUMIMSA-N 1 1 381.476 3.725 20 5 GHBDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555314460 865892759 /nfs/dbraw/zinc/89/27/59/865892759.db2.gz ACQBGLRIDAWZIB-UHFFFAOYSA-N 1 1 387.402 3.692 20 5 GHBDMO CCC[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740859691 866045575 /nfs/dbraw/zinc/04/55/75/866045575.db2.gz SWJXPKUEQXEDFA-XUVXKRRUSA-N 1 1 384.480 3.941 20 5 GHBDMO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475546766 866230532 /nfs/dbraw/zinc/23/05/32/866230532.db2.gz FPBXHVCHSBCVIM-UHFFFAOYSA-N 1 1 398.868 3.884 20 5 GHBDMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475546766 866230550 /nfs/dbraw/zinc/23/05/50/866230550.db2.gz FPBXHVCHSBCVIM-UHFFFAOYSA-N 1 1 398.868 3.884 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2C)cc1[N+](=O)[O-] ZINC000475555070 866270819 /nfs/dbraw/zinc/27/08/19/866270819.db2.gz VIICQHYVCLQAIN-GOSISDBHSA-N 1 1 384.432 3.792 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741156896 866271743 /nfs/dbraw/zinc/27/17/43/866271743.db2.gz KKAXSJPMJPGEPP-CYBMUJFWSA-N 1 1 383.876 3.937 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000475565601 866318212 /nfs/dbraw/zinc/31/82/12/866318212.db2.gz DRBHIYWCVPNEDL-CQSZACIVSA-N 1 1 388.493 3.841 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000475565601 866318227 /nfs/dbraw/zinc/31/82/27/866318227.db2.gz DRBHIYWCVPNEDL-CQSZACIVSA-N 1 1 388.493 3.841 20 5 GHBDMO Cc1c(COC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000741328338 866413175 /nfs/dbraw/zinc/41/31/75/866413175.db2.gz KWOPCAPSPWBLLT-QGZVFWFLSA-N 1 1 386.423 3.998 20 5 GHBDMO CC[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)[N@H+]1CCc2ccccc2C1 ZINC000478764952 866599667 /nfs/dbraw/zinc/59/96/67/866599667.db2.gz YJTPDSRTKHCVMS-HXUWFJFHSA-N 1 1 396.491 3.539 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000183303697 866601942 /nfs/dbraw/zinc/60/19/42/866601942.db2.gz CUUPLWSYPDPIQM-UHFFFAOYSA-N 1 1 381.476 3.570 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000183303697 866601949 /nfs/dbraw/zinc/60/19/49/866601949.db2.gz CUUPLWSYPDPIQM-UHFFFAOYSA-N 1 1 381.476 3.570 20 5 GHBDMO C[N@@H+](Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1N)C1CCCCC1 ZINC000183496596 866785812 /nfs/dbraw/zinc/78/58/12/866785812.db2.gz NWAOYMFQVUUJNZ-UHFFFAOYSA-N 1 1 383.452 3.589 20 5 GHBDMO CC(C)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccc(F)cc1 ZINC000741790886 866794597 /nfs/dbraw/zinc/79/45/97/866794597.db2.gz LHVKJKGBWWUMOT-FQEVSTJZSA-N 1 1 376.428 3.804 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000553212853 866970126 /nfs/dbraw/zinc/97/01/26/866970126.db2.gz YLBWPRBEYWVHGH-HXUWFJFHSA-N 1 1 393.443 3.768 20 5 GHBDMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444690320 867070527 /nfs/dbraw/zinc/07/05/27/867070527.db2.gz RYRZIZVJUDIRGL-VIFPVBQESA-N 1 1 396.373 3.698 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@H](COCc4ccccc4)C3)c2)cc1 ZINC000742177416 867137517 /nfs/dbraw/zinc/13/75/17/867137517.db2.gz FSVSAFMPGNEPLO-IBGZPJMESA-N 1 1 392.459 3.955 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000444918644 867498762 /nfs/dbraw/zinc/49/87/62/867498762.db2.gz HRNDEZQWZDFOTN-CRAIPNDOSA-N 1 1 398.463 3.636 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)ccc1Cl ZINC000793348334 882144437 /nfs/dbraw/zinc/14/44/37/882144437.db2.gz JSYJNUMHZRNAGE-CYBMUJFWSA-N 1 1 390.745 3.970 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000553934370 868494766 /nfs/dbraw/zinc/49/47/66/868494766.db2.gz FIYOXLFIQDXQBU-MSOLQXFVSA-N 1 1 399.491 3.718 20 5 GHBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000743989810 868517887 /nfs/dbraw/zinc/51/78/87/868517887.db2.gz XQPWHDIKLHZEAC-YFHOEESVSA-N 1 1 391.471 3.657 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744411970 868821004 /nfs/dbraw/zinc/82/10/04/868821004.db2.gz BRZSWWSCHZPMEQ-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744411970 868821010 /nfs/dbraw/zinc/82/10/10/868821010.db2.gz BRZSWWSCHZPMEQ-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000535558976 868986228 /nfs/dbraw/zinc/98/62/28/868986228.db2.gz PSZUYUGJNJVJCT-BLIXFSHQSA-N 1 1 397.475 3.676 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000535558976 868986236 /nfs/dbraw/zinc/98/62/36/868986236.db2.gz PSZUYUGJNJVJCT-BLIXFSHQSA-N 1 1 397.475 3.676 20 5 GHBDMO Cn1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000122259888 869247154 /nfs/dbraw/zinc/24/71/54/869247154.db2.gz LYNDSJSPVNUAFR-UHFFFAOYSA-N 1 1 390.443 3.990 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000462756863 870035087 /nfs/dbraw/zinc/03/50/87/870035087.db2.gz VYXJDFCOMDYMDJ-PXNSSMCTSA-N 1 1 399.491 3.591 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCc1ccccc1)C1CC1 ZINC000746123886 870062975 /nfs/dbraw/zinc/06/29/75/870062975.db2.gz VSZSSAURABTGSK-UHFFFAOYSA-N 1 1 383.448 3.639 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000441056594 870092820 /nfs/dbraw/zinc/09/28/20/870092820.db2.gz PCIJDJBXIVKRLG-YWZLYKJASA-N 1 1 383.448 3.556 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(C)(c2ccccc2)CC1 ZINC001192282070 870262961 /nfs/dbraw/zinc/26/29/61/870262961.db2.gz HISDECHSQUQCAG-INIZCTEOSA-N 1 1 397.475 3.984 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(Cl)c1 ZINC000525373552 870572631 /nfs/dbraw/zinc/57/26/31/870572631.db2.gz FDTSRGIKFVBLMF-MAUKXSAKSA-N 1 1 375.856 3.543 20 5 GHBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000538758091 870582324 /nfs/dbraw/zinc/58/23/24/870582324.db2.gz ZAVCMVRZFIBHPT-CYBMUJFWSA-N 1 1 391.855 3.854 20 5 GHBDMO CC[C@H]1C[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[C@@H]1c1ccccc1 ZINC000746380284 870586240 /nfs/dbraw/zinc/58/62/40/870586240.db2.gz CMZSLRHJOBPPES-YJBOKZPZSA-N 1 1 393.443 3.664 20 5 GHBDMO CC[C@H]1C[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[C@@H]1c1ccccc1 ZINC000746380284 870586254 /nfs/dbraw/zinc/58/62/54/870586254.db2.gz CMZSLRHJOBPPES-YJBOKZPZSA-N 1 1 393.443 3.664 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@](CO)(c4ccccc4)C3)o2)cc1 ZINC000463010949 870660490 /nfs/dbraw/zinc/66/04/90/870660490.db2.gz NMXUKXKLWAVJJP-JOCHJYFZSA-N 1 1 378.428 3.991 20 5 GHBDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001193271632 870993455 /nfs/dbraw/zinc/99/34/55/870993455.db2.gz BDNDCIZVMXXOMU-HUUCEWRRSA-N 1 1 383.448 3.940 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H]2CCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428470122 871070786 /nfs/dbraw/zinc/07/07/86/871070786.db2.gz MPCWRUUICSRFST-GOSISDBHSA-N 1 1 386.448 3.529 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443322028 871081113 /nfs/dbraw/zinc/08/11/13/871081113.db2.gz RWVCCSWNJMCVDO-UHFFFAOYSA-N 1 1 375.469 3.655 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCCC1 ZINC000122352680 871266069 /nfs/dbraw/zinc/26/60/69/871266069.db2.gz YURUNCCZBNYBEY-UHFFFAOYSA-N 1 1 382.464 3.656 20 5 GHBDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001193754321 871293824 /nfs/dbraw/zinc/29/38/24/871293824.db2.gz TYNMFZMHQAFFEW-QGZVFWFLSA-N 1 1 399.491 3.708 20 5 GHBDMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001193754321 871293843 /nfs/dbraw/zinc/29/38/43/871293843.db2.gz TYNMFZMHQAFFEW-QGZVFWFLSA-N 1 1 399.491 3.708 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001169527461 871607633 /nfs/dbraw/zinc/60/76/33/871607633.db2.gz MPJAWIFPZASCTR-LIRRHRJNSA-N 1 1 387.867 3.889 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)CCOc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000441265383 871659997 /nfs/dbraw/zinc/65/99/97/871659997.db2.gz MEVQMCJCVQKKTH-UHFFFAOYSA-N 1 1 380.828 3.646 20 5 GHBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000618570491 871726599 /nfs/dbraw/zinc/72/65/99/871726599.db2.gz KCCPMSOZHFQCGS-NJDAHSKKSA-N 1 1 397.523 3.777 20 5 GHBDMO CCO[C@@H](CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000552045608 871928377 /nfs/dbraw/zinc/92/83/77/871928377.db2.gz KSAXJMLZODWYGB-VQTJNVASSA-N 1 1 386.496 3.993 20 5 GHBDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182258048 872092295 /nfs/dbraw/zinc/09/22/95/872092295.db2.gz MELYQINZJFDECE-GJZGRUSLSA-N 1 1 393.509 3.916 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000478031356 872380473 /nfs/dbraw/zinc/38/04/73/872380473.db2.gz UVHTUOVPWVGNAB-ZWKOTPCHSA-N 1 1 375.469 3.511 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552280357 872384130 /nfs/dbraw/zinc/38/41/30/872384130.db2.gz DWMAZLQKQTVBLP-HLAWJBBLSA-N 1 1 392.459 3.928 20 5 GHBDMO COc1cc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000540902114 872439013 /nfs/dbraw/zinc/43/90/13/872439013.db2.gz YHEIIHFGOMWUGE-UHFFFAOYSA-N 1 1 395.459 3.660 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000619583288 872770815 /nfs/dbraw/zinc/77/08/15/872770815.db2.gz WTECOZODEBBEPY-FGTMMUONSA-N 1 1 389.496 3.536 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCCc4ccccc4)CC3)nc2c1 ZINC000460350107 872830722 /nfs/dbraw/zinc/83/07/22/872830722.db2.gz UPYOHKKZHBYTQT-UHFFFAOYSA-N 1 1 379.464 3.616 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001196135515 872892170 /nfs/dbraw/zinc/89/21/70/872892170.db2.gz XKEGTHVUASCELK-VFNWGFHPSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001196135515 872892190 /nfs/dbraw/zinc/89/21/90/872892190.db2.gz XKEGTHVUASCELK-VFNWGFHPSA-N 1 1 383.448 3.594 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000198103782 872908344 /nfs/dbraw/zinc/90/83/44/872908344.db2.gz DZMMZCJOESSJLM-MRXNPFEDSA-N 1 1 383.448 3.603 20 5 GHBDMO COCC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000767939964 872972074 /nfs/dbraw/zinc/97/20/74/872972074.db2.gz KNZZLBBOVTXOCB-ZIAGYGMSSA-N 1 1 383.876 3.714 20 5 GHBDMO COCC[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000767939964 872972088 /nfs/dbraw/zinc/97/20/88/872972088.db2.gz KNZZLBBOVTXOCB-ZIAGYGMSSA-N 1 1 383.876 3.714 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000768178000 873147679 /nfs/dbraw/zinc/14/76/79/873147679.db2.gz BKXNVXOTOJTHNL-CYBMUJFWSA-N 1 1 393.237 3.629 20 5 GHBDMO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000768178000 873147685 /nfs/dbraw/zinc/14/76/85/873147685.db2.gz BKXNVXOTOJTHNL-CYBMUJFWSA-N 1 1 393.237 3.629 20 5 GHBDMO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000768782883 873577315 /nfs/dbraw/zinc/57/73/15/873577315.db2.gz OHUAWARIBDJPHS-UHFFFAOYSA-N 1 1 393.237 3.776 20 5 GHBDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000768782883 873577319 /nfs/dbraw/zinc/57/73/19/873577319.db2.gz OHUAWARIBDJPHS-UHFFFAOYSA-N 1 1 393.237 3.776 20 5 GHBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001197420792 873802735 /nfs/dbraw/zinc/80/27/35/873802735.db2.gz AHVVXGGHKRLTEG-NRFANRHFSA-N 1 1 383.492 3.960 20 5 GHBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001197420792 873802748 /nfs/dbraw/zinc/80/27/48/873802748.db2.gz AHVVXGGHKRLTEG-NRFANRHFSA-N 1 1 383.492 3.960 20 5 GHBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001197420792 873802758 /nfs/dbraw/zinc/80/27/58/873802758.db2.gz AHVVXGGHKRLTEG-NRFANRHFSA-N 1 1 383.492 3.960 20 5 GHBDMO Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)nc1 ZINC000858038503 882766597 /nfs/dbraw/zinc/76/65/97/882766597.db2.gz UBJXRMMZRQTBAI-WMLDXEAASA-N 1 1 395.419 3.563 20 5 GHBDMO Cc1ccc(O[C@@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)nc1 ZINC000858038503 882766609 /nfs/dbraw/zinc/76/66/09/882766609.db2.gz UBJXRMMZRQTBAI-WMLDXEAASA-N 1 1 395.419 3.563 20 5 GHBDMO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000769342367 873985411 /nfs/dbraw/zinc/98/54/11/873985411.db2.gz LOXWBRYRSSNBPR-INIZCTEOSA-N 1 1 383.448 3.832 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541703436 874144033 /nfs/dbraw/zinc/14/40/33/874144033.db2.gz HLLPTUHDTJNATQ-HXUWFJFHSA-N 1 1 397.475 3.565 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCCC[C@@H]3C[C@@H](O)c3ccco3)nc2c1 ZINC000769735278 874272784 /nfs/dbraw/zinc/27/27/84/874272784.db2.gz WCGZEILGWODFNC-RDTXWAMCSA-N 1 1 384.436 3.932 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCCC[C@@H]3C[C@@H](O)c3ccco3)nc2c1 ZINC000769735278 874272795 /nfs/dbraw/zinc/27/27/95/874272795.db2.gz WCGZEILGWODFNC-RDTXWAMCSA-N 1 1 384.436 3.932 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595790811 874287228 /nfs/dbraw/zinc/28/72/28/874287228.db2.gz YDDBSLQEQOMIPP-VQIMIIECSA-N 1 1 375.469 3.513 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000475721348 882812967 /nfs/dbraw/zinc/81/29/67/882812967.db2.gz CVVNUCAJUXIEOG-HNNXBMFYSA-N 1 1 390.461 3.854 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001198252818 874313038 /nfs/dbraw/zinc/31/30/38/874313038.db2.gz XQRYUJRVKGDVGM-GFKBIBDCSA-N 1 1 377.872 3.943 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001198252818 874313049 /nfs/dbraw/zinc/31/30/49/874313049.db2.gz XQRYUJRVKGDVGM-GFKBIBDCSA-N 1 1 377.872 3.943 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775847022 874401422 /nfs/dbraw/zinc/40/14/22/874401422.db2.gz XXVFHDWJZKVNDN-UDTPNQRGSA-N 1 1 390.480 3.603 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775847022 874401430 /nfs/dbraw/zinc/40/14/30/874401430.db2.gz XXVFHDWJZKVNDN-UDTPNQRGSA-N 1 1 390.480 3.603 20 5 GHBDMO Cc1ccc([C@@H]2CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000542317627 875359607 /nfs/dbraw/zinc/35/96/07/875359607.db2.gz CSTOOWIVPZDJEV-QGZVFWFLSA-N 1 1 381.432 3.691 20 5 GHBDMO COC1CC[NH+](C(C)(C)CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000609353978 883043551 /nfs/dbraw/zinc/04/35/51/883043551.db2.gz HWYXJJQCJOIFCN-UHFFFAOYSA-N 1 1 387.480 3.834 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000529720660 876596402 /nfs/dbraw/zinc/59/64/02/876596402.db2.gz VOBGZOVFTVDDOX-QGZVFWFLSA-N 1 1 389.499 3.818 20 5 GHBDMO C[NH+](C)[C@H]1CCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000451083605 877339908 /nfs/dbraw/zinc/33/99/08/877339908.db2.gz IBAXKIZENASLPU-INIZCTEOSA-N 1 1 395.868 3.598 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000787411104 877375019 /nfs/dbraw/zinc/37/50/19/877375019.db2.gz OTCGNNZJPAIYDT-OURHENQBSA-N 1 1 382.460 3.823 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000787411104 877375042 /nfs/dbraw/zinc/37/50/42/877375042.db2.gz OTCGNNZJPAIYDT-OURHENQBSA-N 1 1 382.460 3.823 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000746696890 877487161 /nfs/dbraw/zinc/48/71/61/877487161.db2.gz AVLNBZFJULENAD-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO COC[C@]1(C)CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000451202550 877566692 /nfs/dbraw/zinc/56/66/92/877566692.db2.gz PJIPBNXCIDAWAT-IFMALSPDSA-N 1 1 397.475 3.941 20 5 GHBDMO COC[C@]1(C)CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000451202550 877566709 /nfs/dbraw/zinc/56/67/09/877566709.db2.gz PJIPBNXCIDAWAT-IFMALSPDSA-N 1 1 397.475 3.941 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](CO)[C@H]2CC)cc1OC ZINC000451250268 877661892 /nfs/dbraw/zinc/66/18/92/877661892.db2.gz DDWRMGWYBONIJO-ZMSDIMECSA-N 1 1 380.485 3.621 20 5 GHBDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000179630072 877760119 /nfs/dbraw/zinc/76/01/19/877760119.db2.gz JTFGFMVIVZOOSY-BZNIZROVSA-N 1 1 393.390 3.950 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451347698 877797550 /nfs/dbraw/zinc/79/75/50/877797550.db2.gz UMRLYLPMHURXHH-OLUCIUBSSA-N 1 1 395.887 3.591 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451347698 877797565 /nfs/dbraw/zinc/79/75/65/877797565.db2.gz UMRLYLPMHURXHH-OLUCIUBSSA-N 1 1 395.887 3.591 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451326422 877805291 /nfs/dbraw/zinc/80/52/91/877805291.db2.gz CYILPHLDEPVPJP-GOSISDBHSA-N 1 1 391.855 3.551 20 5 GHBDMO Cc1noc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000851741062 877890119 /nfs/dbraw/zinc/89/01/19/877890119.db2.gz AEQNEBWVGSQNED-CABCVRRESA-N 1 1 394.472 3.503 20 5 GHBDMO Cc1noc(C[N@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000851741062 877890130 /nfs/dbraw/zinc/89/01/30/877890130.db2.gz AEQNEBWVGSQNED-CABCVRRESA-N 1 1 394.472 3.503 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852011993 878030296 /nfs/dbraw/zinc/03/02/96/878030296.db2.gz BWISHKXFDVJWHR-AWEZNQCLSA-N 1 1 381.448 3.861 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000852076995 878064090 /nfs/dbraw/zinc/06/40/90/878064090.db2.gz MYJAMWKUDOVJKP-ZBFHGGJFSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000852076995 878064108 /nfs/dbraw/zinc/06/41/08/878064108.db2.gz MYJAMWKUDOVJKP-ZBFHGGJFSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000852076993 878065070 /nfs/dbraw/zinc/06/50/70/878065070.db2.gz MYJAMWKUDOVJKP-HOCLYGCPSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000852076993 878065077 /nfs/dbraw/zinc/06/50/77/878065077.db2.gz MYJAMWKUDOVJKP-HOCLYGCPSA-N 1 1 379.432 3.565 20 5 GHBDMO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451542891 878106385 /nfs/dbraw/zinc/10/63/85/878106385.db2.gz AQHBIWHQUUUXTK-WIYYLYMNSA-N 1 1 393.487 3.937 20 5 GHBDMO COc1ccccc1O[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001170086080 878146903 /nfs/dbraw/zinc/14/69/03/878146903.db2.gz OYENFWVVQMTMDR-LJQANCHMSA-N 1 1 386.448 3.916 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000530756499 878427822 /nfs/dbraw/zinc/42/78/22/878427822.db2.gz MSWXYJWNILGPLU-INIZCTEOSA-N 1 1 376.501 3.726 20 5 GHBDMO CCOc1ccc(C[NH+]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 ZINC000111107276 878825877 /nfs/dbraw/zinc/82/58/77/878825877.db2.gz KSBWMCWAXNZVIP-UHFFFAOYSA-N 1 1 398.488 3.925 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492225 879059940 /nfs/dbraw/zinc/05/99/40/879059940.db2.gz IIAYAXSKMYCYJA-KRWDZBQOSA-N 1 1 393.447 3.527 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1)C1CC1 ZINC000538232264 879090770 /nfs/dbraw/zinc/09/07/70/879090770.db2.gz XKKWALFNFNZLDT-UHFFFAOYSA-N 1 1 378.432 3.965 20 5 GHBDMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NCc1cccc([N+](=O)[O-])c1 ZINC000531300011 879544227 /nfs/dbraw/zinc/54/42/27/879544227.db2.gz YLOGIWNTHYKKCE-UHFFFAOYSA-N 1 1 389.455 3.913 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000854486763 879846750 /nfs/dbraw/zinc/84/67/50/879846750.db2.gz HRNSDYGHDXZADG-UHFFFAOYSA-N 1 1 390.871 3.546 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000494048581 879852776 /nfs/dbraw/zinc/85/27/76/879852776.db2.gz LGTKWZSBOMRSGP-GQIGUUNPSA-N 1 1 399.516 3.855 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000494068253 879891236 /nfs/dbraw/zinc/89/12/36/879891236.db2.gz GAKIFHPOTNRHRS-MJGOQNOKSA-N 1 1 381.476 3.913 20 5 GHBDMO COc1cc(F)cc(C[C@@H](C)[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000453381517 880836076 /nfs/dbraw/zinc/83/60/76/880836076.db2.gz BCRGGVGFBGZOLA-JLTOFOAXSA-N 1 1 398.438 3.786 20 5 GHBDMO Cc1ccc(F)c(N2CCC[C@H]([N@H+](C)CCc3ccccc3[N+](=O)[O-])C2=O)c1 ZINC001170195910 881230014 /nfs/dbraw/zinc/23/00/14/881230014.db2.gz VZKULOXJBHOHBV-IBGZPJMESA-N 1 1 385.439 3.712 20 5 GHBDMO Cc1ccc(F)c(N2CCC[C@H]([N@@H+](C)CCc3ccccc3[N+](=O)[O-])C2=O)c1 ZINC001170195910 881230023 /nfs/dbraw/zinc/23/00/23/881230023.db2.gz VZKULOXJBHOHBV-IBGZPJMESA-N 1 1 385.439 3.712 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1CNc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000551086622 883263835 /nfs/dbraw/zinc/26/38/35/883263835.db2.gz VYVVSFXJTUAZGR-NRFANRHFSA-N 1 1 396.491 3.682 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804813310 883376458 /nfs/dbraw/zinc/37/64/58/883376458.db2.gz XBXWKTQOUVRBNP-QFIPXVFZSA-N 1 1 381.476 3.844 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC000476930163 883384326 /nfs/dbraw/zinc/38/43/26/883384326.db2.gz GIUMXASISGJHJC-UHFFFAOYSA-N 1 1 377.510 3.725 20 5 GHBDMO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000615141296 883395170 /nfs/dbraw/zinc/39/51/70/883395170.db2.gz LZUQSSUPDWVWGI-QGZVFWFLSA-N 1 1 398.385 3.539 20 5 GHBDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000615141296 883395187 /nfs/dbraw/zinc/39/51/87/883395187.db2.gz LZUQSSUPDWVWGI-QGZVFWFLSA-N 1 1 398.385 3.539 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2ccncc2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000609797760 883657801 /nfs/dbraw/zinc/65/78/01/883657801.db2.gz RIFFWVWAJIOJRB-KDOFPFPSSA-N 1 1 394.397 3.926 20 5 GHBDMO COC(=O)/C=C\c1ccc(NC[C@H](C)[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000914571942 884177866 /nfs/dbraw/zinc/17/78/66/884177866.db2.gz UMGSSRHWPWLRLG-YHWKNFMLSA-N 1 1 395.459 3.640 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000859930035 884180067 /nfs/dbraw/zinc/18/00/67/884180067.db2.gz PDMQALXFAOPVGD-OYSPMZIOSA-N 1 1 395.459 3.666 20 5 GHBDMO COc1cccc(CC2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000612123121 884240654 /nfs/dbraw/zinc/24/06/54/884240654.db2.gz KUHRHAIXIWPEAV-UHFFFAOYSA-N 1 1 397.475 3.805 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000476193861 884257033 /nfs/dbraw/zinc/25/70/33/884257033.db2.gz PRCMOTOYFFLTCI-GOSISDBHSA-N 1 1 397.475 3.588 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000487831332 884383414 /nfs/dbraw/zinc/38/34/14/884383414.db2.gz DZNILGNYDKBDPI-INIZCTEOSA-N 1 1 376.501 3.641 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000841979648 884447904 /nfs/dbraw/zinc/44/79/04/884447904.db2.gz QHDAAMGEZRUBGX-KRWDZBQOSA-N 1 1 378.472 3.572 20 5 GHBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n1)OC2 ZINC000556341513 884501281 /nfs/dbraw/zinc/50/12/81/884501281.db2.gz UNWZHBXQAXKJRT-CZUORRHYSA-N 1 1 398.341 3.589 20 5 GHBDMO CCO[C@]12CCC[C@@]1([NH2+]Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CCO2 ZINC000897974753 884517887 /nfs/dbraw/zinc/51/78/87/884517887.db2.gz QALZSIYYTGLJRR-MOPGFXCFSA-N 1 1 389.477 3.884 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](Cc3nc(C)cs3)C2)c1[N+](=O)[O-] ZINC001183855617 912858546 /nfs/dbraw/zinc/85/85/46/912858546.db2.gz RDCYJLOBYKCODQ-ZDUSSCGKSA-N 1 1 377.466 3.529 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000861444730 885510292 /nfs/dbraw/zinc/51/02/92/885510292.db2.gz BVIUVJWHGRKYDM-CZUORRHYSA-N 1 1 392.349 3.954 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)c([N+](=O)[O-])cc1F ZINC000286893345 912954073 /nfs/dbraw/zinc/95/40/73/912954073.db2.gz IONYGRBMZXMYJE-LBPRGKRZSA-N 1 1 378.400 3.919 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CNc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000193507940 886500771 /nfs/dbraw/zinc/50/07/71/886500771.db2.gz MXNVFSIXQAUXAD-HZPDHXFCSA-N 1 1 385.464 3.825 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000762975422 887476982 /nfs/dbraw/zinc/47/69/82/887476982.db2.gz WCLMLYSZBHOORN-JJXUHFIVSA-N 1 1 379.460 3.841 20 5 GHBDMO Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000809662937 887688399 /nfs/dbraw/zinc/68/83/99/887688399.db2.gz HQIONDQCHLKWDK-UHFFFAOYSA-N 1 1 385.855 3.812 20 5 GHBDMO Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000809662937 887688402 /nfs/dbraw/zinc/68/84/02/887688402.db2.gz HQIONDQCHLKWDK-UHFFFAOYSA-N 1 1 385.855 3.812 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809689373 887707521 /nfs/dbraw/zinc/70/75/21/887707521.db2.gz ZPVAOWPHSHCAJL-FQEVSTJZSA-N 1 1 377.485 3.716 20 5 GHBDMO COc1ccc(C)cc1CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272573445 887839789 /nfs/dbraw/zinc/83/97/89/887839789.db2.gz WKWFKGPEXFWOLN-FQEVSTJZSA-N 1 1 380.448 3.567 20 5 GHBDMO Cc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c(N2CCCC2)[nH+]1 ZINC000809912546 887934346 /nfs/dbraw/zinc/93/43/46/887934346.db2.gz GMSSIEZIKJCGPI-UHFFFAOYSA-N 1 1 389.843 3.874 20 5 GHBDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000810097286 888164026 /nfs/dbraw/zinc/16/40/26/888164026.db2.gz GKCKIXABVICQJP-UHFFFAOYSA-N 1 1 399.422 3.619 20 5 GHBDMO C[C@@H]1Cc2[nH+]cn(Cc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2C[C@H]1C ZINC000865369103 888315395 /nfs/dbraw/zinc/31/53/95/888315395.db2.gz JOABELWMVDSHAC-GHMZBOCLSA-N 1 1 387.827 3.914 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194430568 888327164 /nfs/dbraw/zinc/32/71/64/888327164.db2.gz WLNJEOQQTQGLPI-MRXNPFEDSA-N 1 1 384.480 3.995 20 5 GHBDMO CC(C)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)CC1 ZINC000865647848 888499849 /nfs/dbraw/zinc/49/98/49/888499849.db2.gz LMCJSDRJANZWNG-UHFFFAOYSA-N 1 1 382.455 3.527 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001168265573 888556858 /nfs/dbraw/zinc/55/68/58/888556858.db2.gz SRRATECVUFVQQT-ACJLOTCBSA-N 1 1 394.313 3.806 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000866058026 888713249 /nfs/dbraw/zinc/71/32/49/888713249.db2.gz SFSFQHLFHBGLAM-IFXJQAMLSA-N 1 1 391.468 3.537 20 5 GHBDMO CCc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001132390834 888782414 /nfs/dbraw/zinc/78/24/14/888782414.db2.gz RCPGOXYZBRVFBB-FQEVSTJZSA-N 1 1 381.476 3.942 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000796113139 913292181 /nfs/dbraw/zinc/29/21/81/913292181.db2.gz LYYQIRRTPYALNS-UHFFFAOYSA-N 1 1 382.376 3.833 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000796113139 913292197 /nfs/dbraw/zinc/29/21/97/913292197.db2.gz LYYQIRRTPYALNS-UHFFFAOYSA-N 1 1 382.376 3.833 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001184571916 913295960 /nfs/dbraw/zinc/29/59/60/913295960.db2.gz GJHIDTGLPGDZOO-UHFFFAOYSA-N 1 1 395.381 3.815 20 5 GHBDMO O=C(C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000532953093 889368796 /nfs/dbraw/zinc/36/87/96/889368796.db2.gz CTOKWLCVUZHSJR-UHFFFAOYSA-N 1 1 395.459 3.913 20 5 GHBDMO COC[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000532966900 889399736 /nfs/dbraw/zinc/39/97/36/889399736.db2.gz AGJROMYELYHNHM-OXQOHEQNSA-N 1 1 383.448 3.551 20 5 GHBDMO COC[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000532966900 889399746 /nfs/dbraw/zinc/39/97/46/889399746.db2.gz AGJROMYELYHNHM-OXQOHEQNSA-N 1 1 383.448 3.551 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccoc2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000532970933 889408976 /nfs/dbraw/zinc/40/89/76/889408976.db2.gz FCWTVZXBNXSBDG-UHFFFAOYSA-N 1 1 387.436 3.970 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccoc2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000532970933 889408982 /nfs/dbraw/zinc/40/89/82/889408982.db2.gz FCWTVZXBNXSBDG-UHFFFAOYSA-N 1 1 387.436 3.970 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811448967 889607199 /nfs/dbraw/zinc/60/71/99/889607199.db2.gz GLJFGEPSUXKWCG-IBGZPJMESA-N 1 1 382.432 3.638 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)c2)c1 ZINC000811782070 889957497 /nfs/dbraw/zinc/95/74/97/889957497.db2.gz MGIWNKYFANHUHW-QFIPXVFZSA-N 1 1 390.443 3.886 20 5 GHBDMO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000795125022 890395995 /nfs/dbraw/zinc/39/59/95/890395995.db2.gz JYDJZQQDBDONEQ-ZDUSSCGKSA-N 1 1 382.302 3.664 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000533415406 890498291 /nfs/dbraw/zinc/49/82/91/890498291.db2.gz OHUBCSZFJYFBRD-GOSISDBHSA-N 1 1 395.459 3.848 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC001133257756 890560848 /nfs/dbraw/zinc/56/08/48/890560848.db2.gz VIBAWMYDIMFBLW-SFHVURJKSA-N 1 1 397.475 3.730 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1C ZINC000812741230 890923652 /nfs/dbraw/zinc/92/36/52/890923652.db2.gz RYRHPTKSXIOBET-UHFFFAOYSA-N 1 1 381.348 3.558 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000812763770 890967927 /nfs/dbraw/zinc/96/79/27/890967927.db2.gz VCVDUGCGMQYGLK-FQEVSTJZSA-N 1 1 375.469 3.879 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000812763770 890967938 /nfs/dbraw/zinc/96/79/38/890967938.db2.gz VCVDUGCGMQYGLK-FQEVSTJZSA-N 1 1 375.469 3.879 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000917069451 890990441 /nfs/dbraw/zinc/99/04/41/890990441.db2.gz YJKSQYUNRFBJGY-SNVBAGLBSA-N 1 1 376.335 3.808 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812854210 891047845 /nfs/dbraw/zinc/04/78/45/891047845.db2.gz PUSTXQYDDJJVRD-KKSFZXQISA-N 1 1 385.464 3.676 20 5 GHBDMO COc1cccc([C@@H](C)C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813170861 891328060 /nfs/dbraw/zinc/32/80/60/891328060.db2.gz MCLMQJDBFDGGCQ-QRWLVFNGSA-N 1 1 384.432 3.525 20 5 GHBDMO COc1cccc([C@@H](C)C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813170861 891328075 /nfs/dbraw/zinc/32/80/75/891328075.db2.gz MCLMQJDBFDGGCQ-QRWLVFNGSA-N 1 1 384.432 3.525 20 5 GHBDMO COc1cccc(/C(C)=C\C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813171495 891332999 /nfs/dbraw/zinc/33/29/99/891332999.db2.gz WXJZTQWWLAFCHC-NIHHCSOHSA-N 1 1 396.443 3.824 20 5 GHBDMO COc1cccc(/C(C)=C\C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813171495 891333012 /nfs/dbraw/zinc/33/30/12/891333012.db2.gz WXJZTQWWLAFCHC-NIHHCSOHSA-N 1 1 396.443 3.824 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813469185 891666469 /nfs/dbraw/zinc/66/64/69/891666469.db2.gz PIFDORBDEWHMSX-GFCCVEGCSA-N 1 1 386.279 3.706 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])c1 ZINC001185017708 913581427 /nfs/dbraw/zinc/58/14/27/913581427.db2.gz OGUAJABTXIMJRA-UHFFFAOYSA-N 1 1 380.448 3.511 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001133918155 891961397 /nfs/dbraw/zinc/96/13/97/891961397.db2.gz AKWHDPUIBNCVOK-SJORKVTESA-N 1 1 399.878 3.842 20 5 GHBDMO COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000508677405 892258185 /nfs/dbraw/zinc/25/81/85/892258185.db2.gz HADCNGYTRYSQRU-QMDZLVRISA-N 1 1 382.464 3.726 20 5 GHBDMO CC(C)Oc1cccc(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000533765025 892864100 /nfs/dbraw/zinc/86/41/00/892864100.db2.gz BRLDJWVONJKKLQ-FQEVSTJZSA-N 1 1 383.448 3.619 20 5 GHBDMO CC(C)Oc1cccc(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000533765025 892864113 /nfs/dbraw/zinc/86/41/13/892864113.db2.gz BRLDJWVONJKKLQ-FQEVSTJZSA-N 1 1 383.448 3.619 20 5 GHBDMO COc1cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c([N+](=O)[O-])cc1F ZINC000459518203 893687601 /nfs/dbraw/zinc/68/76/01/893687601.db2.gz JKYFSCDVOHMWSY-UHFFFAOYSA-N 1 1 386.423 3.807 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934836611 893964629 /nfs/dbraw/zinc/96/46/29/893964629.db2.gz CTICWEYULRPWQI-OIISXLGYSA-N 1 1 386.452 3.844 20 5 GHBDMO COc1ccc(Br)c(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815569772 894039256 /nfs/dbraw/zinc/03/92/56/894039256.db2.gz HHSAFODBHVKZIN-SNVBAGLBSA-N 1 1 380.242 3.799 20 5 GHBDMO CC[N@H+](CCc1ccccn1)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878216395 894099062 /nfs/dbraw/zinc/09/90/62/894099062.db2.gz IGYSYQJVIOEADW-UHFFFAOYSA-N 1 1 387.827 3.758 20 5 GHBDMO CC[N@@H+](CCc1ccccn1)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878216395 894099078 /nfs/dbraw/zinc/09/90/78/894099078.db2.gz IGYSYQJVIOEADW-UHFFFAOYSA-N 1 1 387.827 3.758 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)o1 ZINC000878441803 894294293 /nfs/dbraw/zinc/29/42/93/894294293.db2.gz HUHFMFWSHJIPCP-LBPRGKRZSA-N 1 1 386.358 3.913 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)o1 ZINC000878441803 894294309 /nfs/dbraw/zinc/29/43/09/894294309.db2.gz HUHFMFWSHJIPCP-LBPRGKRZSA-N 1 1 386.358 3.913 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH+]2CCC(OC3CCC3)CC2)o1 ZINC000878716970 894532035 /nfs/dbraw/zinc/53/20/35/894532035.db2.gz QFOWEQXHXWFLIL-UHFFFAOYSA-N 1 1 392.843 3.832 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000564120251 894620162 /nfs/dbraw/zinc/62/01/62/894620162.db2.gz LGDXURAUDIKVAA-CVEARBPZSA-N 1 1 387.505 3.712 20 5 GHBDMO COc1cc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000816450641 894839666 /nfs/dbraw/zinc/83/96/66/894839666.db2.gz AQYXROYYOALQNM-DNVCBOLYSA-N 1 1 384.432 3.671 20 5 GHBDMO COc1cc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000816450642 894840154 /nfs/dbraw/zinc/84/01/54/894840154.db2.gz AQYXROYYOALQNM-HNAYVOBHSA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000564333447 894872719 /nfs/dbraw/zinc/87/27/19/894872719.db2.gz NCAKUDBRVNREAC-QWHCGFSZSA-N 1 1 399.413 3.996 20 5 GHBDMO COc1cc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c([N+](=O)[O-])cc1F ZINC000564552692 895075080 /nfs/dbraw/zinc/07/50/80/895075080.db2.gz SNLGJPOQIUIDHI-CQSZACIVSA-N 1 1 389.427 3.575 20 5 GHBDMO COc1cc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c([N+](=O)[O-])cc1F ZINC000564552692 895075097 /nfs/dbraw/zinc/07/50/97/895075097.db2.gz SNLGJPOQIUIDHI-CQSZACIVSA-N 1 1 389.427 3.575 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1F ZINC000816903025 895190853 /nfs/dbraw/zinc/19/08/53/895190853.db2.gz QLEVYSVLZURHCI-UHFFFAOYSA-N 1 1 388.786 3.811 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2Cc3ccccc3N3CCC[C@H]3C2)o1 ZINC000880554376 895748269 /nfs/dbraw/zinc/74/82/69/895748269.db2.gz ABOTUDXEABKXAH-INIZCTEOSA-N 1 1 391.431 3.629 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)o1 ZINC000880554376 895748275 /nfs/dbraw/zinc/74/82/75/895748275.db2.gz ABOTUDXEABKXAH-INIZCTEOSA-N 1 1 391.431 3.629 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881209328 896238954 /nfs/dbraw/zinc/23/89/54/896238954.db2.gz BWVUCNOCHZFNAV-LJQANCHMSA-N 1 1 381.411 3.541 20 5 GHBDMO CO[C@H](C)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000566646290 896449193 /nfs/dbraw/zinc/44/91/93/896449193.db2.gz HCLWFFYWLIBKQV-MRXNPFEDSA-N 1 1 380.448 3.914 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])sc2C1 ZINC000819677544 896897027 /nfs/dbraw/zinc/89/70/27/896897027.db2.gz ALFQZBQKIMPUAN-UHFFFAOYSA-N 1 1 378.429 3.599 20 5 GHBDMO CC[N@@H+](CCC1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000774940842 914117880 /nfs/dbraw/zinc/11/78/80/914117880.db2.gz DBIKCRVUSJPHFM-UHFFFAOYSA-N 1 1 390.484 3.837 20 5 GHBDMO CCc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567452382 897169838 /nfs/dbraw/zinc/16/98/38/897169838.db2.gz QYTOCQSKFKHMPO-NRFANRHFSA-N 1 1 381.480 3.536 20 5 GHBDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cc1O ZINC000883295585 897464794 /nfs/dbraw/zinc/46/47/94/897464794.db2.gz MSINUWFCBAUGQQ-JTQLQIEISA-N 1 1 381.226 3.922 20 5 GHBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000101911500 897979930 /nfs/dbraw/zinc/97/99/30/897979930.db2.gz HSBQRUAHZSSSAW-KRWDZBQOSA-N 1 1 392.499 3.930 20 5 GHBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000568821732 898135600 /nfs/dbraw/zinc/13/56/00/898135600.db2.gz GOCPEYNLAGPLEG-CYBMUJFWSA-N 1 1 376.482 3.569 20 5 GHBDMO CNC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC000509511755 898156064 /nfs/dbraw/zinc/15/60/64/898156064.db2.gz NXRQEIKAAAEVMQ-FQEVSTJZSA-N 1 1 396.491 3.667 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000289544805 914234209 /nfs/dbraw/zinc/23/42/09/914234209.db2.gz DWNMVUVORYXLIJ-SWLSCSKDSA-N 1 1 378.860 3.729 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000289551766 914235831 /nfs/dbraw/zinc/23/58/31/914235831.db2.gz FHDQKPHFCYCPTA-KBPBESRZSA-N 1 1 398.891 3.507 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC001170997135 898717454 /nfs/dbraw/zinc/71/74/54/898717454.db2.gz GRQLEZRIXZLDPG-SJORKVTESA-N 1 1 393.528 3.944 20 5 GHBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001136754727 899148926 /nfs/dbraw/zinc/14/89/26/899148926.db2.gz BWGOCIPPXITTQC-KRWDZBQOSA-N 1 1 383.448 3.991 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000331793137 899168073 /nfs/dbraw/zinc/16/80/73/899168073.db2.gz KPUYAQXGVLJZAZ-CVEARBPZSA-N 1 1 390.484 3.722 20 5 GHBDMO CC(C)c1ccc(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000824827953 899850716 /nfs/dbraw/zinc/85/07/16/899850716.db2.gz JYHQZTOBPTVJHX-GJZGRUSLSA-N 1 1 399.413 3.561 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000824971672 899919332 /nfs/dbraw/zinc/91/93/32/899919332.db2.gz WOSIRMXBYMJZDB-GDBMZVCRSA-N 1 1 383.279 3.981 20 5 GHBDMO O=C(c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)N1CCCC1 ZINC000135231170 900205783 /nfs/dbraw/zinc/20/57/83/900205783.db2.gz MDTUIMOMPWUJOZ-UHFFFAOYSA-N 1 1 379.460 3.995 20 5 GHBDMO O=C(c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)N1CCCC1 ZINC000135231170 900205799 /nfs/dbraw/zinc/20/57/99/900205799.db2.gz MDTUIMOMPWUJOZ-UHFFFAOYSA-N 1 1 379.460 3.995 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843850975 900247936 /nfs/dbraw/zinc/24/79/36/900247936.db2.gz VVVDRTYVWKQWOT-WBVHZDCISA-N 1 1 385.439 3.683 20 5 GHBDMO Cc1cc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc(N2CCCC2)[nH+]1 ZINC000290020683 914484080 /nfs/dbraw/zinc/48/40/80/914484080.db2.gz RBWPHMYIGYYOQD-UHFFFAOYSA-N 1 1 383.452 3.837 20 5 GHBDMO C/C=C\c1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000046835978 901107571 /nfs/dbraw/zinc/10/75/71/901107571.db2.gz PJYGIVLFDFRHPC-NCRRVARUSA-N 1 1 386.448 3.508 20 5 GHBDMO C/C=C\c1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000046835978 901107578 /nfs/dbraw/zinc/10/75/78/901107578.db2.gz PJYGIVLFDFRHPC-NCRRVARUSA-N 1 1 386.448 3.508 20 5 GHBDMO COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778943056 902043131 /nfs/dbraw/zinc/04/31/31/902043131.db2.gz OONHVPABIQUPKK-HOCLYGCPSA-N 1 1 393.484 3.871 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778943056 902043144 /nfs/dbraw/zinc/04/31/44/902043144.db2.gz OONHVPABIQUPKK-HOCLYGCPSA-N 1 1 393.484 3.871 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778951296 902161174 /nfs/dbraw/zinc/16/11/74/902161174.db2.gz JOZXJFKPIQPQJN-HOCLYGCPSA-N 1 1 393.484 3.729 20 5 GHBDMO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000047714849 902312357 /nfs/dbraw/zinc/31/23/57/902312357.db2.gz JUUOBVVCYMYROC-UHFFFAOYSA-N 1 1 389.402 3.576 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778971049 902363056 /nfs/dbraw/zinc/36/30/56/902363056.db2.gz ANRRGEVDQCAAGL-OCCSQVGLSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778971049 902363073 /nfs/dbraw/zinc/36/30/73/902363073.db2.gz ANRRGEVDQCAAGL-OCCSQVGLSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778971051 902363367 /nfs/dbraw/zinc/36/33/67/902363367.db2.gz ANRRGEVDQCAAGL-TZMCWYRMSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778971051 902363380 /nfs/dbraw/zinc/36/33/80/902363380.db2.gz ANRRGEVDQCAAGL-TZMCWYRMSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000577393905 902735146 /nfs/dbraw/zinc/73/51/46/902735146.db2.gz DOYHAWNTGBSDFM-UTKZUKDTSA-N 1 1 397.475 3.677 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000577393905 902735158 /nfs/dbraw/zinc/73/51/58/902735158.db2.gz DOYHAWNTGBSDFM-UTKZUKDTSA-N 1 1 397.475 3.677 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000264392245 903062851 /nfs/dbraw/zinc/06/28/51/903062851.db2.gz CHUZZMXGKYPJGN-CYBMUJFWSA-N 1 1 389.839 3.894 20 5 GHBDMO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001147103165 903698074 /nfs/dbraw/zinc/69/80/74/903698074.db2.gz JZQIDOUHJWHBJF-QGZVFWFLSA-N 1 1 387.867 3.572 20 5 GHBDMO C[C@H](c1cccnc1)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578331833 903741629 /nfs/dbraw/zinc/74/16/29/903741629.db2.gz CRWQTUYPUKBMFP-LLVKDONJSA-N 1 1 397.216 3.787 20 5 GHBDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578331833 903741633 /nfs/dbraw/zinc/74/16/33/903741633.db2.gz CRWQTUYPUKBMFP-LLVKDONJSA-N 1 1 397.216 3.787 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000216399504 904686788 /nfs/dbraw/zinc/68/67/88/904686788.db2.gz VNFNAJAFBWREON-CYBMUJFWSA-N 1 1 385.247 3.773 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583335 921161904 /nfs/dbraw/zinc/16/19/04/921161904.db2.gz UBZRENVSUOCLAK-SFTDATJTSA-N 1 1 383.492 3.519 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583335 921161908 /nfs/dbraw/zinc/16/19/08/921161908.db2.gz UBZRENVSUOCLAK-SFTDATJTSA-N 1 1 383.492 3.519 20 5 GHBDMO O=C(CC[N@H+]1CC[C@](F)(c2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000801588442 921170957 /nfs/dbraw/zinc/17/09/57/921170957.db2.gz OIFNCWMPOIEGGJ-LJQANCHMSA-N 1 1 375.375 3.633 20 5 GHBDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1c1ccccc1 ZINC001172913984 905984449 /nfs/dbraw/zinc/98/44/49/905984449.db2.gz WUVJGJXQXCTTLJ-KSEOMHKRSA-N 1 1 394.471 3.731 20 5 GHBDMO COC(=O)[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2ccccc21 ZINC001172920996 905990646 /nfs/dbraw/zinc/99/06/46/905990646.db2.gz NOFSLJHOEPQTGA-NQIIRXRSSA-N 1 1 380.444 3.615 20 5 GHBDMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922458 905992513 /nfs/dbraw/zinc/99/25/13/905992513.db2.gz XOYBGENMLLZVGS-SJLPKXTDSA-N 1 1 375.469 3.741 20 5 GHBDMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922458 905992519 /nfs/dbraw/zinc/99/25/19/905992519.db2.gz XOYBGENMLLZVGS-SJLPKXTDSA-N 1 1 375.469 3.741 20 5 GHBDMO C[C@]1(F)CC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H]1F ZINC001173010063 906086049 /nfs/dbraw/zinc/08/60/49/906086049.db2.gz LOGCYACDPDAKEY-RDJZCZTQSA-N 1 1 375.366 3.614 20 5 GHBDMO COc1cccc(C[N@@H+](C)C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC001173012227 906090823 /nfs/dbraw/zinc/09/08/23/906090823.db2.gz BBLIVMRAWVHYLL-UHFFFAOYSA-N 1 1 391.418 3.982 20 5 GHBDMO CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173180194 906257898 /nfs/dbraw/zinc/25/78/98/906257898.db2.gz JFWOCNUTBBHCFF-XOBRGWDASA-N 1 1 396.459 3.729 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1F ZINC001173191482 906272524 /nfs/dbraw/zinc/27/25/24/906272524.db2.gz FLYFPLGLGUCWIK-HOCLYGCPSA-N 1 1 386.423 3.878 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](Oc3ccncc3C)C2)c1F ZINC001173193945 906280201 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GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000779605740 907863001 /nfs/dbraw/zinc/86/30/01/907863001.db2.gz YETABQGHCYXZDI-ZDUSSCGKSA-N 1 1 399.285 3.769 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCSC4(CCOCC4)C3)cs2)c1 ZINC000186496680 907934411 /nfs/dbraw/zinc/93/44/11/907934411.db2.gz MBNVOCYXXYVULB-UHFFFAOYSA-N 1 1 391.518 3.816 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCSC4(CCOCC4)C3)cs2)c1 ZINC000186496680 907934422 /nfs/dbraw/zinc/93/44/22/907934422.db2.gz MBNVOCYXXYVULB-UHFFFAOYSA-N 1 1 391.518 3.816 20 5 GHBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192955505 908030354 /nfs/dbraw/zinc/03/03/54/908030354.db2.gz GXQGGFLUMCBSIY-SFHVURJKSA-N 1 1 396.491 3.667 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000267007549 909365046 /nfs/dbraw/zinc/36/50/46/909365046.db2.gz KOXZKEAVOJIYNU-UHFFFAOYSA-N 1 1 397.475 3.730 20 5 GHBDMO CN1CCN(c2cc[nH+]c(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2)CC1 ZINC001179338349 909495716 /nfs/dbraw/zinc/49/57/16/909495716.db2.gz FZGIHAZMTALSHB-UHFFFAOYSA-N 1 1 393.447 3.614 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246094109 910095492 /nfs/dbraw/zinc/09/54/92/910095492.db2.gz LHNCAAVMTQRATC-MAUKXSAKSA-N 1 1 385.439 3.825 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001180445277 910144460 /nfs/dbraw/zinc/14/44/60/910144460.db2.gz MFTOPEVEMIRFOU-DTQAZKPQSA-N 1 1 382.420 3.729 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000246254889 910205365 /nfs/dbraw/zinc/20/53/65/910205365.db2.gz JYYIRVYTJYGBFC-CEMLEFRQSA-N 1 1 384.476 3.997 20 5 GHBDMO C[N@@H+](CC1CCCCC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795402950 910217858 /nfs/dbraw/zinc/21/78/58/910217858.db2.gz YCJOSSOVTSWXSC-UHFFFAOYSA-N 1 1 396.285 3.783 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000246357215 910251631 /nfs/dbraw/zinc/25/16/31/910251631.db2.gz KIVZNYDZZTXDIB-HUUCEWRRSA-N 1 1 379.888 3.975 20 5 GHBDMO CC[N@H+](CCC1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1)CC(C)C ZINC001181515643 910838963 /nfs/dbraw/zinc/83/89/63/910838963.db2.gz VOQXTCAXNDFBIW-UHFFFAOYSA-N 1 1 393.528 3.889 20 5 GHBDMO CC[N@@H+](CCC1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1)CC(C)C ZINC001181515643 910838971 /nfs/dbraw/zinc/83/89/71/910838971.db2.gz VOQXTCAXNDFBIW-UHFFFAOYSA-N 1 1 393.528 3.889 20 5 GHBDMO COc1c(O)ccc(CN2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC001182902844 912130096 /nfs/dbraw/zinc/13/00/96/912130096.db2.gz SQODAEHWDRCJKC-IBGZPJMESA-N 1 1 399.491 3.651 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000802008671 921745221 /nfs/dbraw/zinc/74/52/21/921745221.db2.gz NJIKVUDPGWUGFG-FQEVSTJZSA-N 1 1 375.469 3.818 20 5 GHBDMO Cc1ccc(N2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H](C)C2)cc1C ZINC001191365581 917968993 /nfs/dbraw/zinc/96/89/93/917968993.db2.gz CDGYCCFPSIWSQG-SFHVURJKSA-N 1 1 396.491 3.751 20 5 GHBDMO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(OC(F)F)cc1 ZINC000016587428 919440161 /nfs/dbraw/zinc/44/01/61/919440161.db2.gz ZMBFLIXTMHGGTR-UHFFFAOYSA-N 1 1 399.781 3.920 20 5 GHBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(OC(F)F)cc1 ZINC000016587428 919440166 /nfs/dbraw/zinc/44/01/66/919440166.db2.gz ZMBFLIXTMHGGTR-UHFFFAOYSA-N 1 1 399.781 3.920 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(Cl)s1 ZINC000117333963 919537749 /nfs/dbraw/zinc/53/77/49/919537749.db2.gz LODPLWUUFLHVTR-UHFFFAOYSA-N 1 1 381.841 3.740 20 5 GHBDMO CCOc1ccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000902504035 922244045 /nfs/dbraw/zinc/24/40/45/922244045.db2.gz VQEIDLGKOOQBFP-REDKUUPNSA-N 1 1 397.475 3.900 20 5 GHBDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000802747407 922377815 /nfs/dbraw/zinc/37/78/15/922377815.db2.gz URDUVBPTBDCESU-JLYLLQBASA-N 1 1 392.463 3.560 20 5 GHBDMO Cc1cccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)c1 ZINC000369828836 923653085 /nfs/dbraw/zinc/65/30/85/923653085.db2.gz HKOKVPKBCNEBIW-ZBFHGGJFSA-N 1 1 394.435 3.596 20 5 GHBDMO Cc1cccc(-c2nnc([C@@H](C)[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)c1 ZINC000369828836 923653099 /nfs/dbraw/zinc/65/30/99/923653099.db2.gz HKOKVPKBCNEBIW-ZBFHGGJFSA-N 1 1 394.435 3.596 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC(F)(F)F)cc1 ZINC000409869542 925083124 /nfs/dbraw/zinc/08/31/24/925083124.db2.gz JBGHZEZUDRLJDP-UHFFFAOYSA-N 1 1 397.353 3.954 20 5 GHBDMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411198591 926208708 /nfs/dbraw/zinc/20/87/08/926208708.db2.gz ZNAHBRWGKJBNNV-GOSISDBHSA-N 1 1 390.505 3.967 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000726601888 926757136 /nfs/dbraw/zinc/75/71/36/926757136.db2.gz SYYGCOXEHYXBRS-MAUKXSAKSA-N 1 1 393.484 3.741 20 5 GHBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC000374253604 926937409 /nfs/dbraw/zinc/93/74/09/926937409.db2.gz AFXYEHXQYDOECB-OXJNMPFZSA-N 1 1 396.447 3.676 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411998665 926999362 /nfs/dbraw/zinc/99/93/62/926999362.db2.gz LHXFGAYNYUSMKR-OXJNMPFZSA-N 1 1 395.459 3.776 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411998665 926999366 /nfs/dbraw/zinc/99/93/66/926999366.db2.gz LHXFGAYNYUSMKR-OXJNMPFZSA-N 1 1 395.459 3.776 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCN1c1cccc(Cl)c1 ZINC000749922951 927350974 /nfs/dbraw/zinc/35/09/74/927350974.db2.gz FWOUNUBBCKMKCK-MRXNPFEDSA-N 1 1 380.231 3.797 20 5 GHBDMO CC[N@H+](Cc1cccc(Br)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750035294 927398382 /nfs/dbraw/zinc/39/83/82/927398382.db2.gz CQTWCYLCYLLYBF-QGZVFWFLSA-N 1 1 379.254 3.913 20 5 GHBDMO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374782309 927515373 /nfs/dbraw/zinc/51/53/73/927515373.db2.gz UPEWHVVUEVJEKB-IBGZPJMESA-N 1 1 377.460 3.737 20 5 GHBDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1CCCC1 ZINC000374798185 927534001 /nfs/dbraw/zinc/53/40/01/927534001.db2.gz JGSLMIALDVVVSX-KRWDZBQOSA-N 1 1 397.479 3.826 20 5 GHBDMO O=[N+]([O-])c1cn(C[NH+]2CCC(c3ccc(F)cc3)CC2)nc1-c1ccncc1 ZINC000751959663 928510584 /nfs/dbraw/zinc/51/05/84/928510584.db2.gz OQUGWRQTHKXBDC-UHFFFAOYSA-N 1 1 381.411 3.830 20 5 GHBDMO COc1ccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000543891556 928541193 /nfs/dbraw/zinc/54/11/93/928541193.db2.gz VUYKPDBWDXMJTL-HOTGVXAUSA-N 1 1 398.463 3.730 20 5 GHBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000752069497 928582022 /nfs/dbraw/zinc/58/20/22/928582022.db2.gz PEYAFCXRNKSMCX-HOTGVXAUSA-N 1 1 393.484 3.599 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000752079053 928594596 /nfs/dbraw/zinc/59/45/96/928594596.db2.gz ZMGXCIMMIQZEHN-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000752079053 928594598 /nfs/dbraw/zinc/59/45/98/928594598.db2.gz ZMGXCIMMIQZEHN-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO CO[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000752321456 928756578 /nfs/dbraw/zinc/75/65/78/928756578.db2.gz KMOZUZZPMJROLD-QAPCUYQASA-N 1 1 389.839 3.649 20 5 GHBDMO CO[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000752321456 928756583 /nfs/dbraw/zinc/75/65/83/928756583.db2.gz KMOZUZZPMJROLD-QAPCUYQASA-N 1 1 389.839 3.649 20 5 GHBDMO O=C(C[NH+]1CCC(c2ccc(F)cc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000752340940 928775702 /nfs/dbraw/zinc/77/57/02/928775702.db2.gz SBKYCIFETMWQSA-UHFFFAOYSA-N 1 1 383.423 3.503 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000544119128 928828236 /nfs/dbraw/zinc/82/82/36/928828236.db2.gz SALBQZXARIEXAP-APWZRJJASA-N 1 1 388.439 3.743 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[C@H]1c1cccs1 ZINC000544393547 929126824 /nfs/dbraw/zinc/12/68/24/929126824.db2.gz XPFGOMHPMUNEIT-ACJLOTCBSA-N 1 1 383.477 3.516 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[N@H+]1Cc1ccccc1 ZINC000753293806 929289192 /nfs/dbraw/zinc/28/91/92/929289192.db2.gz QMMIPBPMYQPGIS-WBVHZDCISA-N 1 1 385.439 3.764 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000753294166 929290145 /nfs/dbraw/zinc/29/01/45/929290145.db2.gz SPKAUFJKUUWNQY-DOTOQJQBSA-N 1 1 385.439 3.764 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000467717222 929334560 /nfs/dbraw/zinc/33/45/60/929334560.db2.gz ZTYIHOOZNWSCHK-IFXJQAMLSA-N 1 1 381.432 3.600 20 5 GHBDMO CC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757104946 929644449 /nfs/dbraw/zinc/64/44/49/929644449.db2.gz UYIYCMACCLMWOR-WMZOPIPTSA-N 1 1 377.485 3.763 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000757262504 929684079 /nfs/dbraw/zinc/68/40/79/929684079.db2.gz NFHCXTJVCPITCS-UHFFFAOYSA-N 1 1 396.919 3.902 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758336990 930014068 /nfs/dbraw/zinc/01/40/68/930014068.db2.gz TZQFRQJNDZHCRP-KXBFYZLASA-N 1 1 384.411 3.882 20 5 GHBDMO CCc1cc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000470864666 930980379 /nfs/dbraw/zinc/98/03/79/930980379.db2.gz OOOSGNASLUZPGL-QGZVFWFLSA-N 1 1 395.507 3.782 20 5 GHBDMO O=C(CC[N@H+]1CCCO[C@H](c2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782488926 931240648 /nfs/dbraw/zinc/24/06/48/931240648.db2.gz KIVNCVYIDRLVRB-IBGZPJMESA-N 1 1 387.411 3.526 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC000557735678 931640124 /nfs/dbraw/zinc/64/01/24/931640124.db2.gz AAAJRAMYBFLAGJ-FQEVSTJZSA-N 1 1 395.488 3.702 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)c1 ZINC000784006505 931751747 /nfs/dbraw/zinc/75/17/47/931751747.db2.gz GTNUROMURQFFRS-ORAYPTAESA-N 1 1 381.436 3.697 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)c1 ZINC000784006506 931751920 /nfs/dbraw/zinc/75/19/20/931751920.db2.gz GTNUROMURQFFRS-YJYMSZOUSA-N 1 1 381.436 3.697 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000784006137 931752015 /nfs/dbraw/zinc/75/20/15/931752015.db2.gz CIJFCCLVRKFSMF-HNAYVOBHSA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000784006137 931752020 /nfs/dbraw/zinc/75/20/20/931752020.db2.gz CIJFCCLVRKFSMF-HNAYVOBHSA-N 1 1 393.447 3.903 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cc([N+](=O)[O-])ccc1F ZINC000784328854 931857465 /nfs/dbraw/zinc/85/74/65/931857465.db2.gz SLAQYMVMEVBMJK-NBHGPNQESA-N 1 1 397.450 3.764 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000784531215 931926804 /nfs/dbraw/zinc/92/68/04/931926804.db2.gz ZZOHOUXSAQGWAD-IAOVAPTHSA-N 1 1 393.459 3.859 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000797518376 932317742 /nfs/dbraw/zinc/31/77/42/932317742.db2.gz DPJOPVUJXZSZNL-CABCVRRESA-N 1 1 393.484 3.729 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000559244174 932544361 /nfs/dbraw/zinc/54/43/61/932544361.db2.gz QRBUMQLRKRXPNW-LLVKDONJSA-N 1 1 382.342 3.864 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000559244174 932544368 /nfs/dbraw/zinc/54/43/68/932544368.db2.gz QRBUMQLRKRXPNW-LLVKDONJSA-N 1 1 382.342 3.864 20 5 GHBDMO C[C@@]1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+](Cc2ccccc2)C1 ZINC000798401636 932631699 /nfs/dbraw/zinc/63/16/99/932631699.db2.gz ZVGYOUOYIHGBRF-QFIPXVFZSA-N 1 1 394.475 3.804 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000798526774 932690874 /nfs/dbraw/zinc/69/08/74/932690874.db2.gz URIGGDFKONMSKK-JOCHJYFZSA-N 1 1 397.475 3.636 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000798944672 932829139 /nfs/dbraw/zinc/82/91/39/932829139.db2.gz NGRLZPUHCGRQMS-HXUWFJFHSA-N 1 1 375.469 3.600 20 5 GHBDMO O=[N+]([O-])c1ccccc1CN(C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000560161900 933101115 /nfs/dbraw/zinc/10/11/15/933101115.db2.gz GKMSXBKMMUYXLV-QFIPXVFZSA-N 1 1 395.503 3.850 20 5 GHBDMO Cc1cccc(O[C@H](C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000560528545 933313624 /nfs/dbraw/zinc/31/36/24/933313624.db2.gz HODMLISLFIEACJ-UZLBHIALSA-N 1 1 380.448 3.783 20 5 GHBDMO CSc1ccc(C(=O)N2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc1[N+](=O)[O-] ZINC001116095969 933332090 /nfs/dbraw/zinc/33/20/90/933332090.db2.gz TXGUHFFJHDDURV-OAHLLOKOSA-N 1 1 386.477 3.737 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000560548870 933333937 /nfs/dbraw/zinc/33/39/37/933333937.db2.gz JOEHSAXZNQSCFH-GOSISDBHSA-N 1 1 390.365 3.667 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001116127199 933350046 /nfs/dbraw/zinc/35/00/46/933350046.db2.gz SIWGZAZBEUGAFJ-UHFFFAOYSA-N 1 1 393.447 3.638 20 5 GHBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116437279 933557462 /nfs/dbraw/zinc/55/74/62/933557462.db2.gz WPJOOIJSJDTMNA-INIZCTEOSA-N 1 1 389.839 3.751 20 5 GHBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116437279 933557466 /nfs/dbraw/zinc/55/74/66/933557466.db2.gz WPJOOIJSJDTMNA-INIZCTEOSA-N 1 1 389.839 3.751 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001116442942 933561378 /nfs/dbraw/zinc/56/13/78/933561378.db2.gz YSGGXXXDUHLCNY-UHFFFAOYSA-N 1 1 389.496 3.990 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001116750446 933736516 /nfs/dbraw/zinc/73/65/16/933736516.db2.gz ZQBJTPCHUNXIRV-WBVHZDCISA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001116750446 933736523 /nfs/dbraw/zinc/73/65/23/933736523.db2.gz ZQBJTPCHUNXIRV-WBVHZDCISA-N 1 1 392.818 3.954 20 5 GHBDMO CC(=O)c1cc(NCCC[NH+]2CCN(c3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000561141446 933913024 /nfs/dbraw/zinc/91/30/24/933913024.db2.gz AEPWKKILRFCGJT-UHFFFAOYSA-N 1 1 396.491 3.730 20 5 GHBDMO C[C@@H]1C[C@H](C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001117743928 934003585 /nfs/dbraw/zinc/00/35/85/934003585.db2.gz OLQZUMMHPCFXPV-HUUCEWRRSA-N 1 1 375.469 3.946 20 5 GHBDMO C[C@@H]1C[C@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001117743928 934003604 /nfs/dbraw/zinc/00/36/04/934003604.db2.gz OLQZUMMHPCFXPV-HUUCEWRRSA-N 1 1 375.469 3.946 20 5 GHBDMO O=C1CCC2=C(CC[N@H+](Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2)N1 ZINC001118647709 934216566 /nfs/dbraw/zinc/21/65/66/934216566.db2.gz HHYHKIOXPGCHIW-UHFFFAOYSA-N 1 1 387.823 3.878 20 5 GHBDMO O=C(N1C[C@H]2CCC[N@H+]2Cc2ccccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777946370 934302156 /nfs/dbraw/zinc/30/21/56/934302156.db2.gz HTZWOHURSIZOLP-QGZVFWFLSA-N 1 1 387.386 3.698 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000561683466 934363604 /nfs/dbraw/zinc/36/36/04/934363604.db2.gz HWWCDNGHGDDLMH-MSOLQXFVSA-N 1 1 385.468 3.518 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931191260 934427354 /nfs/dbraw/zinc/42/73/54/934427354.db2.gz SRLPIPNHDKWWES-BEVDRBHNSA-N 1 1 399.516 3.788 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)o1 ZINC000931910432 934762128 /nfs/dbraw/zinc/76/21/28/934762128.db2.gz QCPJQTSWMRRZNW-AWEZNQCLSA-N 1 1 386.305 3.511 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)o1 ZINC000931910432 934762131 /nfs/dbraw/zinc/76/21/31/934762131.db2.gz QCPJQTSWMRRZNW-AWEZNQCLSA-N 1 1 386.305 3.511 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931914690 934763773 /nfs/dbraw/zinc/76/37/73/934763773.db2.gz RGUBYLBFFUYBSS-HNNXBMFYSA-N 1 1 389.349 3.598 20 5 GHBDMO CC(=O)Oc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC000828813120 935717965 /nfs/dbraw/zinc/71/79/65/935717965.db2.gz URZXFGDKDRMXFC-MXVIHJGJSA-N 1 1 398.459 3.826 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000829835036 935870971 /nfs/dbraw/zinc/87/09/71/935870971.db2.gz VXMQTRHOVICAJO-HNNXBMFYSA-N 1 1 388.317 3.846 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001460978240 1069312470 /nfs/dbraw/zinc/31/24/70/1069312470.db2.gz ZAGLGPMRVJPLAT-HOTGVXAUSA-N 1 1 399.495 3.753 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001460978240 1069312485 /nfs/dbraw/zinc/31/24/85/1069312485.db2.gz ZAGLGPMRVJPLAT-HOTGVXAUSA-N 1 1 399.495 3.753 20 5 GHBDMO CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544850219 1015099565 /nfs/dbraw/zinc/09/95/65/1015099565.db2.gz QOGCIMIGXCSADH-GOSISDBHSA-N 1 1 387.867 3.985 20 5 GHBDMO COc1cc(OC)cc(N2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000468146724 1015333275 /nfs/dbraw/zinc/33/32/75/1015333275.db2.gz WCHZTACDFRDGBK-MRXNPFEDSA-N 1 1 385.464 3.885 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000468635261 1015862977 /nfs/dbraw/zinc/86/29/77/1015862977.db2.gz NLCOHPSNGAMUJG-AQTBWJFISA-N 1 1 380.492 3.858 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]1C ZINC000470155675 1016740016 /nfs/dbraw/zinc/74/00/16/1016740016.db2.gz BKMCIZLABFPMQL-BXUZGUMPSA-N 1 1 378.812 3.892 20 5 GHBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3nc4ccccc4c4ccccc43)C[C@H]1[N@H+]2C ZINC001226993831 1032224895 /nfs/dbraw/zinc/22/48/95/1032224895.db2.gz YYYYBDBVHFBSNS-RZTYQLBFSA-N 1 1 376.456 3.934 20 5 GHBDMO O=c1cc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227219534 1032327877 /nfs/dbraw/zinc/32/78/77/1032327877.db2.gz IAIAVWJVNFRYST-KRWDZBQOSA-N 1 1 376.372 3.546 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001227333985 1032377948 /nfs/dbraw/zinc/37/79/48/1032377948.db2.gz AQAPBOYVCGCRDS-IUODEOHRSA-N 1 1 376.844 3.636 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC001155727827 1032666703 /nfs/dbraw/zinc/66/67/03/1032666703.db2.gz WHNNZEBCGHDXCU-SFHVURJKSA-N 1 1 387.867 3.906 20 5 GHBDMO O=C(Nc1c[nH+]ccc1-n1ccnc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000561888878 1017970533 /nfs/dbraw/zinc/97/05/33/1017970533.db2.gz KWUMWFYUZNDUAU-UHFFFAOYSA-N 1 1 392.400 3.551 20 5 GHBDMO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000932636979 1018548344 /nfs/dbraw/zinc/54/83/44/1018548344.db2.gz ARHMJLJCPZKTAX-CQSZACIVSA-N 1 1 375.450 3.516 20 5 GHBDMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000932636979 1018548354 /nfs/dbraw/zinc/54/83/54/1018548354.db2.gz ARHMJLJCPZKTAX-CQSZACIVSA-N 1 1 375.450 3.516 20 5 GHBDMO COC(=O)c1cnc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000570438784 1019609304 /nfs/dbraw/zinc/60/93/04/1019609304.db2.gz DKFDPPYVGAWWEZ-HNNXBMFYSA-N 1 1 398.463 3.763 20 5 GHBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000573168592 1019825612 /nfs/dbraw/zinc/82/56/12/1019825612.db2.gz IKVVTTDNJNROPO-UHFFFAOYSA-N 1 1 377.488 3.533 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755866770 1023409585 /nfs/dbraw/zinc/40/95/85/1023409585.db2.gz CHFBMYRMABEYTG-DOTOQJQBSA-N 1 1 384.432 3.671 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1)CC(C)C ZINC000831675517 1024728143 /nfs/dbraw/zinc/72/81/43/1024728143.db2.gz TXLLXTWQEIXZMR-UHFFFAOYSA-N 1 1 379.476 3.954 20 5 GHBDMO C[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000838627960 1025247908 /nfs/dbraw/zinc/24/79/08/1025247908.db2.gz VPXOFSNNFUNXEZ-OXJNMPFZSA-N 1 1 382.464 3.572 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839151529 1025649281 /nfs/dbraw/zinc/64/92/81/1025649281.db2.gz DSVQOEIMRFVFPH-HXUWFJFHSA-N 1 1 392.402 3.827 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N[C@@H]2CCOc3c(F)cc(F)cc32)ncc1[N+](=O)[O-] ZINC001162405347 1025736979 /nfs/dbraw/zinc/73/69/79/1025736979.db2.gz FQOVNHJWKATVRK-SJDLMVEWSA-N 1 1 376.363 3.736 20 5 GHBDMO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[N@@H+](C)Cc1ccccc1 ZINC001162707484 1025885089 /nfs/dbraw/zinc/88/50/89/1025885089.db2.gz YOVQCAIBOGXXPZ-INIZCTEOSA-N 1 1 396.491 3.810 20 5 GHBDMO CC1(Nc2nccnc2[N+](=O)[O-])C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001162855206 1025941155 /nfs/dbraw/zinc/94/11/55/1025941155.db2.gz WCMMCMIBRHDNAO-UHFFFAOYSA-N 1 1 375.432 3.661 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001162867291 1025947215 /nfs/dbraw/zinc/94/72/15/1025947215.db2.gz HQYJASMODOGWLN-ZDUSSCGKSA-N 1 1 377.876 3.971 20 5 GHBDMO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1c(C)nn(C)c1C ZINC000839550581 1026049164 /nfs/dbraw/zinc/04/91/64/1026049164.db2.gz GDJPBQQOMQBCPJ-ZDUSSCGKSA-N 1 1 381.274 3.949 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001141648132 1026051139 /nfs/dbraw/zinc/05/11/39/1026051139.db2.gz MWGPGUOXTNGUDD-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO C[N@H+]1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)[C@@H](c2ccccc2)C1 ZINC001163674371 1026278340 /nfs/dbraw/zinc/27/83/40/1026278340.db2.gz KUTIUJKIUNRZPP-QGZVFWFLSA-N 1 1 383.839 3.685 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNc2cc(OC)c([N+](=O)[O-])cc2Cl)cc1 ZINC001163753420 1026302978 /nfs/dbraw/zinc/30/29/78/1026302978.db2.gz APFCGSLHNKDFCA-AWEZNQCLSA-N 1 1 391.855 3.952 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2cc(OC)c([N+](=O)[O-])cc2Cl)cc1 ZINC001163753420 1026302992 /nfs/dbraw/zinc/30/29/92/1026302992.db2.gz APFCGSLHNKDFCA-AWEZNQCLSA-N 1 1 391.855 3.952 20 5 GHBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3CCC[N@@H+](Cc4ccncc4)CC3)ccc21 ZINC001163827730 1026329282 /nfs/dbraw/zinc/32/92/82/1026329282.db2.gz ZPCHPFPDQBKUJN-UHFFFAOYSA-N 1 1 397.866 3.904 20 5 GHBDMO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141723395 1026342577 /nfs/dbraw/zinc/34/25/77/1026342577.db2.gz WJXJVPQWHCKNDM-JXFKEZNVSA-N 1 1 375.390 3.853 20 5 GHBDMO CN1Cc2cc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc([N+](=O)[O-])c2N1 ZINC001164499479 1026536627 /nfs/dbraw/zinc/53/66/27/1026536627.db2.gz RCWIXQRXKZZNEB-PWIZWCRZSA-N 1 1 393.491 3.690 20 5 GHBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001140165452 1026938025 /nfs/dbraw/zinc/93/80/25/1026938025.db2.gz XGYPUBNLOXLFRO-IBGZPJMESA-N 1 1 396.491 3.811 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000840119698 1027237686 /nfs/dbraw/zinc/23/76/86/1027237686.db2.gz SKSMFQBQONMZLO-UHFFFAOYSA-N 1 1 395.467 3.562 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC001203497387 1027381909 /nfs/dbraw/zinc/38/19/09/1027381909.db2.gz SAEDHCALSMQZIA-UHFFFAOYSA-N 1 1 387.237 3.833 20 5 GHBDMO CCOC(=O)C1CC[NH+](Cc2cccc(Nc3ccc(O)c([N+](=O)[O-])c3)c2)CC1 ZINC001210397633 1027487626 /nfs/dbraw/zinc/48/76/26/1027487626.db2.gz ATWMIWLIFLPXBW-UHFFFAOYSA-N 1 1 399.447 3.819 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001222515757 1030176034 /nfs/dbraw/zinc/17/60/34/1030176034.db2.gz GYVKKFJGDMYSNZ-JTSKRJEESA-N 1 1 396.491 3.928 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001222515756 1030176563 /nfs/dbraw/zinc/17/65/63/1030176563.db2.gz GYVKKFJGDMYSNZ-HTAPYJJXSA-N 1 1 396.491 3.928 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001222777261 1030304029 /nfs/dbraw/zinc/30/40/29/1030304029.db2.gz GXGZNFQJZWVOQO-HOTGVXAUSA-N 1 1 399.447 3.519 20 5 GHBDMO C[C@H](OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001222929567 1030353492 /nfs/dbraw/zinc/35/34/92/1030353492.db2.gz PLGHZARMWCGVDE-MGPUTAFESA-N 1 1 397.431 3.542 20 5 GHBDMO C[C@H](OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001222929567 1030353510 /nfs/dbraw/zinc/35/35/10/1030353510.db2.gz PLGHZARMWCGVDE-MGPUTAFESA-N 1 1 397.431 3.542 20 5 GHBDMO C[C@@H](OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001222929568 1030354532 /nfs/dbraw/zinc/35/45/32/1030354532.db2.gz PLGHZARMWCGVDE-QRWLVFNGSA-N 1 1 397.431 3.542 20 5 GHBDMO C[C@@H](OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001222929568 1030354549 /nfs/dbraw/zinc/35/45/49/1030354549.db2.gz PLGHZARMWCGVDE-QRWLVFNGSA-N 1 1 397.431 3.542 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@@H]3Cc4ccccc4NC3=O)o2)c([N+](=O)[O-])c1 ZINC001461686515 1069678381 /nfs/dbraw/zinc/67/83/81/1069678381.db2.gz ROGCDZDSWZWLTP-GOSISDBHSA-N 1 1 393.399 3.516 20 5 GHBDMO COC(=O)[C@H](O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001223640614 1030677496 /nfs/dbraw/zinc/67/74/96/1030677496.db2.gz WSURYUMNFSSMTM-ZLGUVYLKSA-N 1 1 398.459 3.736 20 5 GHBDMO O=[N+]([O-])C[C@H](OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC001224822788 1031136970 /nfs/dbraw/zinc/13/69/70/1031136970.db2.gz DEBQRANPZMVIHJ-AVRDEDQJSA-N 1 1 398.459 3.662 20 5 GHBDMO Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)c2cccc3nc4ccccc4nc32)C1 ZINC001153866706 1031780953 /nfs/dbraw/zinc/78/09/53/1031780953.db2.gz PLHUTZRNGSNUPA-INIZCTEOSA-N 1 1 384.439 3.780 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001229401290 1033459649 /nfs/dbraw/zinc/45/96/49/1033459649.db2.gz DNSLZAVKUTXZBX-OAHLLOKOSA-N 1 1 384.823 3.845 20 5 GHBDMO C[NH+](C)CC(=O)Nc1ccc2nc(OC[C@H]3CCC=CO3)c3ccccc3c2c1 ZINC001229807092 1033731050 /nfs/dbraw/zinc/73/10/50/1033731050.db2.gz FKBMXMMGACREGQ-QGZVFWFLSA-N 1 1 391.471 3.960 20 5 GHBDMO CC[C@H](COC)Oc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229806799 1033731133 /nfs/dbraw/zinc/73/11/33/1033731133.db2.gz BFMQUXZHCGAAHG-MRXNPFEDSA-N 1 1 381.476 3.692 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001230251456 1033962135 /nfs/dbraw/zinc/96/21/35/1033962135.db2.gz VPQOSXDEIGJRPN-FBBABVLZSA-N 1 1 395.459 3.843 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4CC[C@@H]4C3)cnc2Cl)c1 ZINC001158432067 1034077047 /nfs/dbraw/zinc/07/70/47/1034077047.db2.gz VUCXJFVIJVKORC-OAHLLOKOSA-N 1 1 394.809 3.749 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[N@H+]4CC[C@@H]4C3)cnc2Cl)c1 ZINC001158432067 1034077054 /nfs/dbraw/zinc/07/70/54/1034077054.db2.gz VUCXJFVIJVKORC-OAHLLOKOSA-N 1 1 394.809 3.749 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001158524158 1034127231 /nfs/dbraw/zinc/12/72/31/1034127231.db2.gz RRTGVXDFYPUHCU-HZPDHXFCSA-N 1 1 377.448 3.637 20 5 GHBDMO Cc1nc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1Br ZINC001231122252 1034411980 /nfs/dbraw/zinc/41/19/80/1034411980.db2.gz RVOREBVFIFONJE-CQSZACIVSA-N 1 1 392.253 3.714 20 5 GHBDMO COc1ccc(F)cc1C[NH+]1CCC(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001161152853 1035162123 /nfs/dbraw/zinc/16/21/23/1035162123.db2.gz JOWVKORTNYFJOH-UHFFFAOYSA-N 1 1 399.426 3.695 20 5 GHBDMO CC(C)Oc1ncnc2c1CC[N@@H+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232220386 1035169391 /nfs/dbraw/zinc/16/93/91/1035169391.db2.gz NHWRIVZCSYZOHE-UHFFFAOYSA-N 1 1 399.498 3.961 20 5 GHBDMO c1ccc(OCC[NH+]2CCN(Cc3ccc4ccc5cccnc5c4n3)CC2)cc1 ZINC001232222520 1035170139 /nfs/dbraw/zinc/17/01/39/1035170139.db2.gz SZHCIWXNMRSVJN-UHFFFAOYSA-N 1 1 398.510 3.980 20 5 GHBDMO c1ccc(OCCN2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)cc1 ZINC001232222520 1035170144 /nfs/dbraw/zinc/17/01/44/1035170144.db2.gz SZHCIWXNMRSVJN-UHFFFAOYSA-N 1 1 398.510 3.980 20 5 GHBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1)c1ccncc1 ZINC001232227133 1035172080 /nfs/dbraw/zinc/17/20/80/1035172080.db2.gz GSXXPKVENLSWBR-HXUWFJFHSA-N 1 1 397.482 3.572 20 5 GHBDMO Cc1cnc(O[C@H]2CCC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)nc1 ZINC001232227688 1035173037 /nfs/dbraw/zinc/17/30/37/1035173037.db2.gz LOWOFSAJWXJPLM-FQEVSTJZSA-N 1 1 385.471 3.925 20 5 GHBDMO COc1c(Cl)ccc(-c2noc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)n2)c1F ZINC001248207166 1035637862 /nfs/dbraw/zinc/63/78/62/1035637862.db2.gz BBGRYVCOGCEEKT-CYBMUJFWSA-N 1 1 392.774 3.688 20 5 GHBDMO COc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC001248474425 1035902390 /nfs/dbraw/zinc/90/23/90/1035902390.db2.gz CSTNZADQUQZCNE-UHFFFAOYSA-N 1 1 376.844 3.752 20 5 GHBDMO CC[N@@H+](CCCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001278394284 1036723118 /nfs/dbraw/zinc/72/31/18/1036723118.db2.gz YWWOHPUMPKFVFR-UHFFFAOYSA-N 1 1 379.476 3.827 20 5 GHBDMO COc1ccc(C[C@H](C)[NH+]2CCC3(CC2)NCCc2ccccc23)c([N+](=O)[O-])c1 ZINC001246999951 1037824076 /nfs/dbraw/zinc/82/40/76/1037824076.db2.gz CSXZPGFXCZMVSL-KRWDZBQOSA-N 1 1 395.503 3.671 20 5 GHBDMO CCn1nnc2c1[C@@H](c1nc(-c3cc4ccccc4c4ccccc34)no1)C[NH2+]C2 ZINC001247136195 1037939485 /nfs/dbraw/zinc/93/94/85/1037939485.db2.gz PKABRUZOJORXNQ-IBGZPJMESA-N 1 1 396.454 3.890 20 5 GHBDMO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247682319 1038317874 /nfs/dbraw/zinc/31/78/74/1038317874.db2.gz SQDCHASYFCQLBY-LLVKDONJSA-N 1 1 398.181 3.728 20 5 GHBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001462257013 1070125637 /nfs/dbraw/zinc/12/56/37/1070125637.db2.gz CQHQYWXMPVINAH-UHFFFAOYSA-N 1 1 390.440 3.615 20 5 GHBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001462257013 1070125644 /nfs/dbraw/zinc/12/56/44/1070125644.db2.gz CQHQYWXMPVINAH-UHFFFAOYSA-N 1 1 390.440 3.615 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1[N+](=O)[O-] ZINC001233707332 1039554008 /nfs/dbraw/zinc/55/40/08/1039554008.db2.gz ISBBJQSDEBNEMO-RIFZZMRRSA-N 1 1 383.404 3.792 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1[N+](=O)[O-] ZINC001233707334 1039554514 /nfs/dbraw/zinc/55/45/14/1039554514.db2.gz ISBBJQSDEBNEMO-XAUMDUMWSA-N 1 1 383.404 3.792 20 5 GHBDMO C[C@@H](Oc1c2cccnc2ccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233778090 1039609822 /nfs/dbraw/zinc/60/98/22/1039609822.db2.gz FXYQOWIHULODNT-IIBYNOLFSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@@H](Oc1c2cccnc2ccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233778090 1039609829 /nfs/dbraw/zinc/60/98/29/1039609829.db2.gz FXYQOWIHULODNT-IIBYNOLFSA-N 1 1 393.443 3.811 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001234056896 1039790037 /nfs/dbraw/zinc/79/00/37/1039790037.db2.gz HQHXTOIVNYSNGB-MRXNPFEDSA-N 1 1 390.823 3.688 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478611 1040265807 /nfs/dbraw/zinc/26/58/07/1040265807.db2.gz HYDSJQGFRMRVMX-LJQANCHMSA-N 1 1 394.519 3.770 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478611 1040265816 /nfs/dbraw/zinc/26/58/16/1040265816.db2.gz HYDSJQGFRMRVMX-LJQANCHMSA-N 1 1 394.519 3.770 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478611 1040265838 /nfs/dbraw/zinc/26/58/38/1040265838.db2.gz HYDSJQGFRMRVMX-LJQANCHMSA-N 1 1 394.519 3.770 20 5 GHBDMO COc1cc(C[N@@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1 ZINC001254479249 1040266616 /nfs/dbraw/zinc/26/66/16/1040266616.db2.gz URHVEANWBHYZOA-UHFFFAOYSA-N 1 1 385.464 3.713 20 5 GHBDMO COC(=O)[C@](C)([NH3+])Cc1cn([C@H](C)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC001254540367 1040310404 /nfs/dbraw/zinc/31/04/04/1040310404.db2.gz SLMGDJHFNCFGRL-IVZQSRNASA-N 1 1 395.459 3.786 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001254552720 1040321514 /nfs/dbraw/zinc/32/15/14/1040321514.db2.gz OLMLBVNLWIKZPS-OAHLLOKOSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001254552720 1040321527 /nfs/dbraw/zinc/32/15/27/1040321527.db2.gz OLMLBVNLWIKZPS-OAHLLOKOSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001254565188 1040340968 /nfs/dbraw/zinc/34/09/68/1040340968.db2.gz NQNPWJCEZUAXFF-CVEARBPZSA-N 1 1 377.485 3.857 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592426 1040364400 /nfs/dbraw/zinc/36/44/00/1040364400.db2.gz DBXRZCFGYCWYGP-GHTZIAJQSA-N 1 1 387.480 3.537 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594346 1040367022 /nfs/dbraw/zinc/36/70/22/1040367022.db2.gz QBDVBAWNZWLKGH-RXVVDRJESA-N 1 1 387.480 3.537 20 5 GHBDMO CCC[N@@H+](CCc1ccccn1)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256101133 1041528351 /nfs/dbraw/zinc/52/83/51/1041528351.db2.gz ZACIWIKUWXASFN-UHFFFAOYSA-N 1 1 398.507 3.922 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001292742511 1043858214 /nfs/dbraw/zinc/85/82/14/1043858214.db2.gz VQFLEIQJEIAGJN-UHFFFAOYSA-N 1 1 385.439 3.718 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001293541841 1044233195 /nfs/dbraw/zinc/23/31/95/1044233195.db2.gz QGUWYNDABPCRPB-KGLIPLIRSA-N 1 1 394.903 3.557 20 5 GHBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)c1ccc([S@@](C)=O)cc1 ZINC001262239422 1046217669 /nfs/dbraw/zinc/21/76/69/1046217669.db2.gz YVBUPYRIHJKKOT-BSNNYGBQSA-N 1 1 397.294 3.946 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)C2)cc1 ZINC001302724642 1047067855 /nfs/dbraw/zinc/06/78/55/1047067855.db2.gz PPQNLHNODYFMFU-IBGZPJMESA-N 1 1 397.475 3.695 20 5 GHBDMO CC[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C(C)(C)C1 ZINC001304042175 1047569323 /nfs/dbraw/zinc/56/93/23/1047569323.db2.gz YBRSSGBSGZYKGO-IBGZPJMESA-N 1 1 383.448 3.847 20 5 GHBDMO CC[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C(C)(C)C1 ZINC001304042178 1047570035 /nfs/dbraw/zinc/57/00/35/1047570035.db2.gz YBRSSGBSGZYKGO-LJQANCHMSA-N 1 1 383.448 3.847 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001279363243 1047780428 /nfs/dbraw/zinc/78/04/28/1047780428.db2.gz AGFSCRFXFUOGSP-VPAPRSNLSA-N 1 1 393.487 3.977 20 5 GHBDMO Cc1c(CC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001279363368 1047780558 /nfs/dbraw/zinc/78/05/58/1047780558.db2.gz BPKMPDDEVIBZHE-JOCHJYFZSA-N 1 1 395.503 3.815 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001306523681 1048714082 /nfs/dbraw/zinc/71/40/82/1048714082.db2.gz DLQBHCALKGRUPO-QHAWAJNXSA-N 1 1 385.508 3.859 20 5 GHBDMO O=[N+]([O-])c1cnc2ccccc2c1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001306935733 1048967838 /nfs/dbraw/zinc/96/78/38/1048967838.db2.gz GHDQVAAXLWCTIP-UHFFFAOYSA-N 1 1 398.413 3.920 20 5 GHBDMO Cn1c2ccccc2c(NC[C@@H]2CC[N@H+]2C2CCCCCC2)c([N+](=O)[O-])c1=O ZINC001307191044 1049128931 /nfs/dbraw/zinc/12/89/31/1049128931.db2.gz MBUWLGZIKPQSPJ-INIZCTEOSA-N 1 1 384.480 3.656 20 5 GHBDMO O=C(OCc1ccccc1)N1CCC(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001307507472 1049348733 /nfs/dbraw/zinc/34/87/33/1049348733.db2.gz WQYDWMOCPWXBGJ-UHFFFAOYSA-N 1 1 395.459 3.959 20 5 GHBDMO O=C(OCc1ccccc1)N1CCC(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001307507472 1049348742 /nfs/dbraw/zinc/34/87/42/1049348742.db2.gz WQYDWMOCPWXBGJ-UHFFFAOYSA-N 1 1 395.459 3.959 20 5 GHBDMO CC[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@H]1c1ccccc1 ZINC001307519138 1049361687 /nfs/dbraw/zinc/36/16/87/1049361687.db2.gz AXEKADNEIWANIY-LAUBAEHRSA-N 1 1 393.487 4.000 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H](O)CCOCc3ccccc3)C2)cc1 ZINC001307779509 1049587644 /nfs/dbraw/zinc/58/76/44/1049587644.db2.gz MFVUVMHZXBOBOH-UNMCSNQZSA-N 1 1 384.476 3.742 20 5 GHBDMO C[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OC(C)(C)C ZINC001307860331 1049643928 /nfs/dbraw/zinc/64/39/28/1049643928.db2.gz NZECUPTYOFRZSI-YJBOKZPZSA-N 1 1 378.469 3.806 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OC(C)(C)C ZINC001307860331 1049643934 /nfs/dbraw/zinc/64/39/34/1049643934.db2.gz NZECUPTYOFRZSI-YJBOKZPZSA-N 1 1 378.469 3.806 20 5 GHBDMO CC(C)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001307870339 1049652706 /nfs/dbraw/zinc/65/27/06/1049652706.db2.gz MUOUZGRXBOBBPU-FCHUYYIVSA-N 1 1 383.492 3.613 20 5 GHBDMO CC(C)N(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307870339 1049652712 /nfs/dbraw/zinc/65/27/12/1049652712.db2.gz MUOUZGRXBOBBPU-FCHUYYIVSA-N 1 1 383.492 3.613 20 5 GHBDMO CC(C)N(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307870339 1049652716 /nfs/dbraw/zinc/65/27/16/1049652716.db2.gz MUOUZGRXBOBBPU-FCHUYYIVSA-N 1 1 383.492 3.613 20 5 GHBDMO COc1ccc(C[C@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC001307906545 1049684500 /nfs/dbraw/zinc/68/45/00/1049684500.db2.gz SYKKUYZOJLLRTL-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO COc1ccc(C[C@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC001307906545 1049684502 /nfs/dbraw/zinc/68/45/02/1049684502.db2.gz SYKKUYZOJLLRTL-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001308121303 1049864655 /nfs/dbraw/zinc/86/46/55/1049864655.db2.gz GLLLEYCTWWRGHG-IBHIWXBSSA-N 1 1 377.444 3.662 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001308121303 1049864661 /nfs/dbraw/zinc/86/46/61/1049864661.db2.gz GLLLEYCTWWRGHG-IBHIWXBSSA-N 1 1 377.444 3.662 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3F)cc2)C1 ZINC001290892481 1049945971 /nfs/dbraw/zinc/94/59/71/1049945971.db2.gz WMWJXPJWCSDFTL-OAHLLOKOSA-N 1 1 385.439 3.896 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC001308349328 1049954947 /nfs/dbraw/zinc/95/49/47/1049954947.db2.gz FTWVQWDYESIUMO-ZDUSSCGKSA-N 1 1 399.285 3.913 20 5 GHBDMO COc1ccc(COCC[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])cc1 ZINC001308353819 1049956488 /nfs/dbraw/zinc/95/64/88/1049956488.db2.gz USPIPPMVYSBOED-UHFFFAOYSA-N 1 1 395.253 3.672 20 5 GHBDMO COc1c(O)ccc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001308803997 1050101596 /nfs/dbraw/zinc/10/15/96/1050101596.db2.gz XNMKCPBTLJXKST-GOSISDBHSA-N 1 1 399.491 3.701 20 5 GHBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C)[C@H]1CC[N@@H+](CC)C1 ZINC001311258997 1051973047 /nfs/dbraw/zinc/97/30/47/1051973047.db2.gz SAGGCTMCESVSEE-LBPRGKRZSA-N 1 1 388.390 3.870 20 5 GHBDMO Cc1c(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311259130 1051973406 /nfs/dbraw/zinc/97/34/06/1051973406.db2.gz UHPJWLBURBJHDX-PSLIRLAXSA-N 1 1 386.374 3.526 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001311674994 1052321124 /nfs/dbraw/zinc/32/11/24/1052321124.db2.gz WXHCGJRUDOANKT-WTTBNOFXSA-N 1 1 376.501 3.630 20 5 GHBDMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001312818534 1052881742 /nfs/dbraw/zinc/88/17/42/1052881742.db2.gz YVYLWAYHOVPWOB-JXXFODFXSA-N 1 1 382.464 3.618 20 5 GHBDMO C[C@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001313286086 1053006796 /nfs/dbraw/zinc/00/67/96/1053006796.db2.gz DAULSYLYJLXWBG-KRWDZBQOSA-N 1 1 388.512 3.953 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001343983829 1054160086 /nfs/dbraw/zinc/16/00/86/1054160086.db2.gz UDDOLPYMNJSNRN-YQQQUEKLSA-N 1 1 394.475 3.614 20 5 GHBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001344075210 1054228397 /nfs/dbraw/zinc/22/83/97/1054228397.db2.gz JXGLMZWIPUNSBY-CQSZACIVSA-N 1 1 393.871 3.661 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001344473987 1054504966 /nfs/dbraw/zinc/50/49/66/1054504966.db2.gz SEJUZWBLLFQQFK-CRAIPNDOSA-N 1 1 398.463 3.636 20 5 GHBDMO CCC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001318953580 1054963101 /nfs/dbraw/zinc/96/31/01/1054963101.db2.gz JQTOOLGFPZXWFR-CZUORRHYSA-N 1 1 388.424 3.514 20 5 GHBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001318953580 1054963105 /nfs/dbraw/zinc/96/31/05/1054963105.db2.gz JQTOOLGFPZXWFR-CZUORRHYSA-N 1 1 388.424 3.514 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001321027814 1056062205 /nfs/dbraw/zinc/06/22/05/1056062205.db2.gz OTISNVARYNVKBE-GESALYCCSA-N 1 1 389.402 3.538 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001321027814 1056062216 /nfs/dbraw/zinc/06/22/16/1056062216.db2.gz OTISNVARYNVKBE-GESALYCCSA-N 1 1 389.402 3.538 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001322221965 1056579110 /nfs/dbraw/zinc/57/91/10/1056579110.db2.gz LPCMKFZORBVPTA-AWEZNQCLSA-N 1 1 382.420 3.716 20 5 GHBDMO CC[C@@H](c1ccncc1)[N@H+](CC)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479918 1057117154 /nfs/dbraw/zinc/11/71/54/1057117154.db2.gz LTYBRXBXMVXXHV-PMACEKPBSA-N 1 1 382.464 3.736 20 5 GHBDMO CC[C@@H](c1ccncc1)[N@@H+](CC)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479918 1057117156 /nfs/dbraw/zinc/11/71/56/1057117156.db2.gz LTYBRXBXMVXXHV-PMACEKPBSA-N 1 1 382.464 3.736 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848486767 1057122327 /nfs/dbraw/zinc/12/23/27/1057122327.db2.gz JONCOAMZRZAGEW-CCMRYFRJSA-N 1 1 384.480 3.677 20 5 GHBDMO C[N@H+](CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)Cc1ccccc1 ZINC001325553152 1057340354 /nfs/dbraw/zinc/34/03/54/1057340354.db2.gz CEEVAOADHNSCCF-QGZVFWFLSA-N 1 1 399.344 3.586 20 5 GHBDMO C[N@@H+](CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)Cc1ccccc1 ZINC001325553152 1057340363 /nfs/dbraw/zinc/34/03/63/1057340363.db2.gz CEEVAOADHNSCCF-QGZVFWFLSA-N 1 1 399.344 3.586 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC001326169988 1057426084 /nfs/dbraw/zinc/42/60/84/1057426084.db2.gz KXCBXMZAWBWBQG-UHFFFAOYSA-N 1 1 389.481 3.502 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC001356354925 1057486884 /nfs/dbraw/zinc/48/68/84/1057486884.db2.gz LUYOYNDNDMTIAE-CVEARBPZSA-N 1 1 385.439 3.777 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC001356354925 1057486890 /nfs/dbraw/zinc/48/68/90/1057486890.db2.gz LUYOYNDNDMTIAE-CVEARBPZSA-N 1 1 385.439 3.777 20 5 GHBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001439616922 1058232956 /nfs/dbraw/zinc/23/29/56/1058232956.db2.gz ZODHXIRCTNZOCE-CQSZACIVSA-N 1 1 385.917 3.529 20 5 GHBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001439616922 1058232970 /nfs/dbraw/zinc/23/29/70/1058232970.db2.gz ZODHXIRCTNZOCE-CQSZACIVSA-N 1 1 385.917 3.529 20 5 GHBDMO Cc1c(CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cccc1[N+](=O)[O-] ZINC001450523103 1060608695 /nfs/dbraw/zinc/60/86/95/1060608695.db2.gz MSAUZFDLTCZPGA-UHFFFAOYSA-N 1 1 395.503 3.914 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001435209152 1062390412 /nfs/dbraw/zinc/39/04/12/1062390412.db2.gz ZZYKIRGQLNLZOE-INIZCTEOSA-N 1 1 385.439 3.779 20 5 GHBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001348084032 1062911773 /nfs/dbraw/zinc/91/17/73/1062911773.db2.gz JTASTDJGBQSRFK-HUUCEWRRSA-N 1 1 388.468 3.616 20 5 GHBDMO COC(=O)/C=C/c1ccc(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001458451282 1063816484 /nfs/dbraw/zinc/81/64/84/1063816484.db2.gz BDPWHAUPAYVEEQ-UUWJFWACSA-N 1 1 395.459 3.538 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1C(F)(F)F ZINC001458544133 1063879818 /nfs/dbraw/zinc/87/98/18/1063879818.db2.gz FBIDMVRMCIQJCA-UHFFFAOYSA-N 1 1 381.354 3.641 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001458551561 1063885576 /nfs/dbraw/zinc/88/55/76/1063885576.db2.gz ZKCCXJUPCVSBRS-IBGZPJMESA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001458551561 1063885589 /nfs/dbraw/zinc/88/55/89/1063885589.db2.gz ZKCCXJUPCVSBRS-IBGZPJMESA-N 1 1 392.459 3.764 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001349875363 1063932671 /nfs/dbraw/zinc/93/26/71/1063932671.db2.gz QZBVKSXULHJSCX-NVXWUHKLSA-N 1 1 398.463 3.778 20 5 GHBDMO CCNc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001438196334 1064004268 /nfs/dbraw/zinc/00/42/68/1064004268.db2.gz HVNJQGXPVUBSGH-MRXNPFEDSA-N 1 1 382.464 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC001459837221 1064237565 /nfs/dbraw/zinc/23/75/65/1064237565.db2.gz CMHRYJOZNZGWJW-QGZVFWFLSA-N 1 1 395.228 3.590 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC001459837221 1064237568 /nfs/dbraw/zinc/23/75/68/1064237568.db2.gz CMHRYJOZNZGWJW-QGZVFWFLSA-N 1 1 395.228 3.590 20 5 GHBDMO Cc1ccccc1CCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001459909163 1064267149 /nfs/dbraw/zinc/26/71/49/1064267149.db2.gz IRZCHPOMEGQTFC-UHFFFAOYSA-N 1 1 393.491 3.924 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001464417886 1064996883 /nfs/dbraw/zinc/99/68/83/1064996883.db2.gz RCBYRDTYAQPLMH-OWCLPIDISA-N 1 1 375.513 3.989 20 5 GHBDMO C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001465485836 1065656059 /nfs/dbraw/zinc/65/60/59/1065656059.db2.gz ARWUKLHRZLJFTH-WTNAPCKOSA-N 1 1 393.487 3.821 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001466677432 1066251194 /nfs/dbraw/zinc/25/11/94/1066251194.db2.gz VPJTZGDIRGHLSY-LSDHHAIUSA-N 1 1 386.427 3.861 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001353856099 1066306945 /nfs/dbraw/zinc/30/69/45/1066306945.db2.gz KOYVIBLJLGCMMR-WTNAPCKOSA-N 1 1 393.487 3.821 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001469413325 1068151092 /nfs/dbraw/zinc/15/10/92/1068151092.db2.gz VRWBVCDUDDEUKI-IXDGSTSKSA-N 1 1 386.427 3.540 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001470142820 1068594213 /nfs/dbraw/zinc/59/42/13/1068594213.db2.gz SOSIABLFAHMZEQ-HXUWFJFHSA-N 1 1 385.439 3.717 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001460795288 1069184409 /nfs/dbraw/zinc/18/44/09/1069184409.db2.gz LDXIKMYQIFYJOT-KRWDZBQOSA-N 1 1 393.484 3.695 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001460883759 1069252115 /nfs/dbraw/zinc/25/21/15/1069252115.db2.gz UZPYFOHXWWJVLE-HNNXBMFYSA-N 1 1 393.484 3.730 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001470712357 1072698573 /nfs/dbraw/zinc/69/85/73/1072698573.db2.gz CFMUHBYEJAMGOB-LEWJYISDSA-N 1 1 395.503 3.863 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001470776324 1072732551 /nfs/dbraw/zinc/73/25/51/1072732551.db2.gz GYLFFPHPPXJDHL-QRWLVFNGSA-N 1 1 381.476 3.852 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001470781945 1072738375 /nfs/dbraw/zinc/73/83/75/1072738375.db2.gz YHJYZTODPCRMJP-KXBFYZLASA-N 1 1 381.476 3.852 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001470822797 1072755761 /nfs/dbraw/zinc/75/57/61/1072755761.db2.gz FTMSSYSJLJQJMV-FQEVSTJZSA-N 1 1 386.496 3.676 20 5 GHBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001471929072 1073265052 /nfs/dbraw/zinc/26/50/52/1073265052.db2.gz GBFAJEDAYRDHCD-SJORKVTESA-N 1 1 399.878 3.842 20 5 GHBDMO Cc1ccc(C[C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001473133980 1073797147 /nfs/dbraw/zinc/79/71/47/1073797147.db2.gz JSVCVOZVSDPNJH-UXHICEINSA-N 1 1 384.476 3.598 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC001473212038 1073863734 /nfs/dbraw/zinc/86/37/34/1073863734.db2.gz CFSHQSURZJBIEG-UHFFFAOYSA-N 1 1 376.453 3.553 20 5 GHBDMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001479296550 1079174354 /nfs/dbraw/zinc/17/43/54/1079174354.db2.gz DMPTWMOAJRFAJN-QGZVFWFLSA-N 1 1 382.464 3.573 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cc(Cl)ccc1OC(F)F ZINC001473316530 1073917477 /nfs/dbraw/zinc/91/74/77/1073917477.db2.gz NDJPOQCMDKYXDR-VIFPVBQESA-N 1 1 399.781 3.799 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473408001 1073952357 /nfs/dbraw/zinc/95/23/57/1073952357.db2.gz DOIGCCNLTFTFAY-LJQANCHMSA-N 1 1 386.452 3.749 20 5 GHBDMO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473408001 1073952359 /nfs/dbraw/zinc/95/23/59/1073952359.db2.gz DOIGCCNLTFTFAY-LJQANCHMSA-N 1 1 386.452 3.749 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOc3c(Br)cccc3C2)cc1 ZINC001473440200 1073963305 /nfs/dbraw/zinc/96/33/05/1073963305.db2.gz PPKHWVDYPPFONH-UHFFFAOYSA-N 1 1 377.238 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOc3c(Br)cccc3C2)cc1 ZINC001473440200 1073963309 /nfs/dbraw/zinc/96/33/09/1073963309.db2.gz PPKHWVDYPPFONH-UHFFFAOYSA-N 1 1 377.238 3.794 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC001473470468 1073981504 /nfs/dbraw/zinc/98/15/04/1073981504.db2.gz UFVHWRAFCMDIBC-UHFFFAOYSA-N 1 1 382.489 3.831 20 5 GHBDMO O=C(CC[N@@H+](Cc1ccccc1)C1(CO)CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001473502538 1073992192 /nfs/dbraw/zinc/99/21/92/1073992192.db2.gz RZCHCQPMPQAGAO-UHFFFAOYSA-N 1 1 397.475 3.731 20 5 GHBDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001473575964 1074025640 /nfs/dbraw/zinc/02/56/40/1074025640.db2.gz NPIQSGYQTPUMHL-GHTZIAJQSA-N 1 1 388.439 3.571 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001473709508 1074101320 /nfs/dbraw/zinc/10/13/20/1074101320.db2.gz WIJPFBFQAAEGGR-MRXNPFEDSA-N 1 1 393.484 3.743 20 5 GHBDMO C[C@@H]([NH2+][C@H](C)c1cc(Cl)cc2c1OCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001473827232 1074162729 /nfs/dbraw/zinc/16/27/29/1074162729.db2.gz SOJCISGPCPRRBD-VXGBXAGGSA-N 1 1 389.839 3.861 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001473871471 1074184095 /nfs/dbraw/zinc/18/40/95/1074184095.db2.gz WNFYVZXYVITZLD-KBPBESRZSA-N 1 1 383.286 3.996 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001473898179 1074195778 /nfs/dbraw/zinc/19/57/78/1074195778.db2.gz USKAIURORHDTIV-HZPDHXFCSA-N 1 1 399.495 3.753 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001473898179 1074195782 /nfs/dbraw/zinc/19/57/82/1074195782.db2.gz USKAIURORHDTIV-HZPDHXFCSA-N 1 1 399.495 3.753 20 5 GHBDMO CCOc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1OC(=O)CC ZINC001474517015 1074444705 /nfs/dbraw/zinc/44/47/05/1074444705.db2.gz NQFFXCSLESKETH-UHFFFAOYSA-N 1 1 386.448 3.983 20 5 GHBDMO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[nH]1 ZINC001474724360 1074535348 /nfs/dbraw/zinc/53/53/48/1074535348.db2.gz PVDCUIVSDUYMBI-GMXVVIOVSA-N 1 1 383.374 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164619752 719074137 /nfs/dbraw/zinc/07/41/37/719074137.db2.gz CLRIGPYRUXAKGO-UWJYYQICSA-N 1 1 389.459 3.639 20 5 GHBDMO Cc1c(C)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165024283 721815462 /nfs/dbraw/zinc/81/54/62/721815462.db2.gz KGYXPDOJKKWYDN-SXLOBPIMSA-N 1 1 395.507 3.739 20 5 GHBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001164924957 721865320 /nfs/dbraw/zinc/86/53/20/721865320.db2.gz MFXGEDJQEZQZLH-ROUUACIJSA-N 1 1 395.938 3.651 20 5 GHBDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001164924957 721865321 /nfs/dbraw/zinc/86/53/21/721865321.db2.gz MFXGEDJQEZQZLH-ROUUACIJSA-N 1 1 395.938 3.651 20 5 GHBDMO CSc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000471383613 837424459 /nfs/dbraw/zinc/42/44/59/837424459.db2.gz LRGAXYDWMIOYJO-HDICACEKSA-N 1 1 397.500 3.521 20 5 GHBDMO C[NH+](C)CCCOc1cnccc1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000573242188 834576888 /nfs/dbraw/zinc/57/68/88/834576888.db2.gz DQSYNUOVVXWCIC-FQEVSTJZSA-N 1 1 398.507 3.833 20 5 GHBDMO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000052429898 834621573 /nfs/dbraw/zinc/62/15/73/834621573.db2.gz FSVQKJWWURBHJO-GOSISDBHSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000052429898 834621578 /nfs/dbraw/zinc/62/15/78/834621578.db2.gz FSVQKJWWURBHJO-GOSISDBHSA-N 1 1 380.404 3.991 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000163221288 834671683 /nfs/dbraw/zinc/67/16/83/834671683.db2.gz LXAGHSLAJASVDF-YVEFUNNKSA-N 1 1 378.860 3.729 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000175288028 834696197 /nfs/dbraw/zinc/69/61/97/834696197.db2.gz CGFVZUHWKPOGEA-SFHVURJKSA-N 1 1 397.475 3.588 20 5 GHBDMO CN(C(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000186890595 834707151 /nfs/dbraw/zinc/70/71/51/834707151.db2.gz QVFGXOMGXYCJPK-UHFFFAOYSA-N 1 1 379.819 3.875 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000471126429 834813653 /nfs/dbraw/zinc/81/36/53/834813653.db2.gz YPCOZYGWBSOURG-GOSISDBHSA-N 1 1 399.491 3.880 20 5 GHBDMO Cn1c(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)nc2ccccc21 ZINC000177191374 837815073 /nfs/dbraw/zinc/81/50/73/837815073.db2.gz YIODYSNZAUPDBT-UHFFFAOYSA-N 1 1 391.431 3.811 20 5 GHBDMO Cn1c(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)nc2ccccc21 ZINC000177191374 837815084 /nfs/dbraw/zinc/81/50/84/837815084.db2.gz YIODYSNZAUPDBT-UHFFFAOYSA-N 1 1 391.431 3.811 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000533375328 835045088 /nfs/dbraw/zinc/04/50/88/835045088.db2.gz QKURDDQSKDQSED-CIRFHOKZSA-N 1 1 388.512 3.567 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000472343662 835178066 /nfs/dbraw/zinc/17/80/66/835178066.db2.gz SFIPCSLBIQDMLO-WMZOPIPTSA-N 1 1 397.475 3.885 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000512967102 844040976 /nfs/dbraw/zinc/04/09/76/844040976.db2.gz MSAKUXXWWXDDIM-FQEVSTJZSA-N 1 1 381.476 3.508 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471167515 835335315 /nfs/dbraw/zinc/33/53/15/835335315.db2.gz CNQPIXNHTGCMDR-HXUWFJFHSA-N 1 1 396.491 3.833 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000471170088 835384594 /nfs/dbraw/zinc/38/45/94/835384594.db2.gz SOSOORVUUSTOKO-LJQANCHMSA-N 1 1 396.491 3.833 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000584041460 835493135 /nfs/dbraw/zinc/49/31/35/835493135.db2.gz HRSBNNIMUOBLOD-INIZCTEOSA-N 1 1 389.839 3.730 20 5 GHBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000512527406 844061607 /nfs/dbraw/zinc/06/16/07/844061607.db2.gz RPNIRXPJDCUMLT-KRWDZBQOSA-N 1 1 385.464 3.983 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000179397889 835678459 /nfs/dbraw/zinc/67/84/59/835678459.db2.gz KALYPVPKJFZZIO-UHFFFAOYSA-N 1 1 377.510 3.797 20 5 GHBDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000176816063 835845455 /nfs/dbraw/zinc/84/54/55/835845455.db2.gz HVKLDSLGMOPBNA-SJLPKXTDSA-N 1 1 396.491 3.611 20 5 GHBDMO COc1ccc(C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)cc1 ZINC000060089861 836020082 /nfs/dbraw/zinc/02/00/82/836020082.db2.gz VIMWMXVVVFBWMN-UHFFFAOYSA-N 1 1 383.448 3.905 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000582085253 836243819 /nfs/dbraw/zinc/24/38/19/836243819.db2.gz ZABIGUCTRRZKEJ-RHSMWYFYSA-N 1 1 376.840 3.825 20 5 GHBDMO C[C@@H](c1ccc2ccccc2c1)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173667630 836259680 /nfs/dbraw/zinc/25/96/80/836259680.db2.gz NELMRTYTJBJWKC-YCRPNKLZSA-N 1 1 380.448 3.531 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000179959234 836465258 /nfs/dbraw/zinc/46/52/58/836465258.db2.gz OGPAFEXAKJJECJ-CQSZACIVSA-N 1 1 389.477 3.882 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000179959234 836465266 /nfs/dbraw/zinc/46/52/66/836465266.db2.gz OGPAFEXAKJJECJ-CQSZACIVSA-N 1 1 389.477 3.882 20 5 GHBDMO O=C(CC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411996012 836487359 /nfs/dbraw/zinc/48/73/59/836487359.db2.gz FTFDUIKJBDCBRF-OAQYLSRUSA-N 1 1 395.459 3.777 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246956997 836487728 /nfs/dbraw/zinc/48/77/28/836487728.db2.gz AXMOHDBJHCRNSQ-UKRRQHHQSA-N 1 1 387.402 3.779 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247008238 836551495 /nfs/dbraw/zinc/55/14/95/836551495.db2.gz PMMVWZOITPNPKW-SJORKVTESA-N 1 1 399.495 3.731 20 5 GHBDMO CCOc1cc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000276964117 844180146 /nfs/dbraw/zinc/18/01/46/844180146.db2.gz VXDKCUURXRNSLW-UHFFFAOYSA-N 1 1 398.507 3.527 20 5 GHBDMO CCOc1cc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000276964117 844180149 /nfs/dbraw/zinc/18/01/49/844180149.db2.gz VXDKCUURXRNSLW-UHFFFAOYSA-N 1 1 398.507 3.527 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000452019166 836621203 /nfs/dbraw/zinc/62/12/03/836621203.db2.gz PKARVMIFLLCVTP-QAQDUYKDSA-N 1 1 383.448 3.810 20 5 GHBDMO C/C=C/c1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000027208393 836634971 /nfs/dbraw/zinc/63/49/71/836634971.db2.gz PJYGIVLFDFRHPC-UKTKYZJWSA-N 1 1 386.448 3.508 20 5 GHBDMO C/C=C/c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000027208393 836634974 /nfs/dbraw/zinc/63/49/74/836634974.db2.gz PJYGIVLFDFRHPC-UKTKYZJWSA-N 1 1 386.448 3.508 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000180255104 836880284 /nfs/dbraw/zinc/88/02/84/836880284.db2.gz DQWXJVJBNSCYRV-WMLDXEAASA-N 1 1 377.510 3.652 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](Cc2ccco2)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000180461992 837282520 /nfs/dbraw/zinc/28/25/20/837282520.db2.gz GTBWFXGCZJXBGY-UHFFFAOYSA-N 1 1 394.431 3.922 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccco2)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000180461992 837282531 /nfs/dbraw/zinc/28/25/31/837282531.db2.gz GTBWFXGCZJXBGY-UHFFFAOYSA-N 1 1 394.431 3.922 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177498491 837964935 /nfs/dbraw/zinc/96/49/35/837964935.db2.gz NWTOIUWXNGKBGB-OAHLLOKOSA-N 1 1 375.469 3.593 20 5 GHBDMO C[C@H](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+](C)Cc1ccccc1 ZINC000471457285 838225374 /nfs/dbraw/zinc/22/53/74/838225374.db2.gz DNZLFMMEAJQNKT-OAHLLOKOSA-N 1 1 381.432 3.981 20 5 GHBDMO Cc1cc2c(ncnc2N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000189522785 838268223 /nfs/dbraw/zinc/26/82/23/838268223.db2.gz MUJZPLPVOZNAGH-UHFFFAOYSA-N 1 1 383.477 3.539 20 5 GHBDMO C[C@@H](CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+](C)Cc1ccccc1 ZINC000471465193 838301715 /nfs/dbraw/zinc/30/17/15/838301715.db2.gz OZCPYAOCHZBHGA-KRWDZBQOSA-N 1 1 394.475 3.576 20 5 GHBDMO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000103145478 838347512 /nfs/dbraw/zinc/34/75/12/838347512.db2.gz QRMTWRCJUFBROU-UHFFFAOYSA-N 1 1 377.828 3.636 20 5 GHBDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000103145478 838347517 /nfs/dbraw/zinc/34/75/17/838347517.db2.gz QRMTWRCJUFBROU-UHFFFAOYSA-N 1 1 377.828 3.636 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000046715287 838400748 /nfs/dbraw/zinc/40/07/48/838400748.db2.gz BFIYVYYDDZIZFG-HNNXBMFYSA-N 1 1 382.464 3.603 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000103603433 838464290 /nfs/dbraw/zinc/46/42/90/838464290.db2.gz ZHDYNSUNKNIDIJ-UHFFFAOYSA-N 1 1 396.491 3.573 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000549807795 844335178 /nfs/dbraw/zinc/33/51/78/844335178.db2.gz DCKFZWQOVBBAKC-UHFFFAOYSA-N 1 1 380.347 3.599 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(Br)s3)C2)nc1 ZINC000118866652 838736469 /nfs/dbraw/zinc/73/64/69/838736469.db2.gz WQSWJOHMCOIIID-JTQLQIEISA-N 1 1 383.271 3.500 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(Br)s3)C2)nc1 ZINC000118866652 838736476 /nfs/dbraw/zinc/73/64/76/838736476.db2.gz WQSWJOHMCOIIID-JTQLQIEISA-N 1 1 383.271 3.500 20 5 GHBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000549409469 838754527 /nfs/dbraw/zinc/75/45/27/838754527.db2.gz HQYKZNRYQGGWOZ-OAHLLOKOSA-N 1 1 376.478 3.951 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000050034619 839039841 /nfs/dbraw/zinc/03/98/41/839039841.db2.gz JXSXZVVKDDHRMD-OAHLLOKOSA-N 1 1 388.493 3.998 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N(C)CC[N@@H+](C)C3CC3)c([N+](=O)[O-])c2)cc1 ZINC000472677602 839073552 /nfs/dbraw/zinc/07/35/52/839073552.db2.gz LGHGFDFRMBHKNL-UHFFFAOYSA-N 1 1 382.464 3.686 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541105550 839174240 /nfs/dbraw/zinc/17/42/40/839174240.db2.gz BDNJMGTUGUQDHX-RHSMWYFYSA-N 1 1 384.436 3.560 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](C)C1 ZINC000275822375 839245720 /nfs/dbraw/zinc/24/57/20/839245720.db2.gz SMYDUQCGXWFYPG-BTYIYWSLSA-N 1 1 377.488 3.896 20 5 GHBDMO COc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415125533 839246887 /nfs/dbraw/zinc/24/68/87/839246887.db2.gz LLJQAVDODLNDDB-APWZRJJASA-N 1 1 399.491 3.599 20 5 GHBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275924553 839886623 /nfs/dbraw/zinc/88/66/23/839886623.db2.gz GXGSDCNWDVDUEP-KKSFZXQISA-N 1 1 375.472 3.650 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000177851451 840373408 /nfs/dbraw/zinc/37/34/08/840373408.db2.gz XPFAITBELYEHKJ-MRXNPFEDSA-N 1 1 382.464 3.700 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000511760032 840653139 /nfs/dbraw/zinc/65/31/39/840653139.db2.gz VACAFMKGTXNGGG-HXUWFJFHSA-N 1 1 381.476 3.554 20 5 GHBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc([N+](=O)[O-])c1 ZINC000511767337 840682627 /nfs/dbraw/zinc/68/26/27/840682627.db2.gz CVQASWASVNJGND-HXUWFJFHSA-N 1 1 381.476 3.934 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NCC1([NH+]3CCCCC3)CCOCC1)CCCC2 ZINC000417311091 840709146 /nfs/dbraw/zinc/70/91/46/840709146.db2.gz NNRAMPVRBXAOSF-OAQYLSRUSA-N 1 1 387.524 3.987 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC1([NH+]3CCCCC3)CCOCC1)CCCC2 ZINC000417311090 840709492 /nfs/dbraw/zinc/70/94/92/840709492.db2.gz NNRAMPVRBXAOSF-NRFANRHFSA-N 1 1 387.524 3.987 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000511802054 840808465 /nfs/dbraw/zinc/80/84/65/840808465.db2.gz OCASDMYEEQGWLL-IBGZPJMESA-N 1 1 385.439 3.764 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000432164183 840907444 /nfs/dbraw/zinc/90/74/44/840907444.db2.gz AZCNDBUECCBBDF-INIZCTEOSA-N 1 1 375.856 3.817 20 5 GHBDMO Cc1csc(C[C@H]2CC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000933124037 840952154 /nfs/dbraw/zinc/95/21/54/840952154.db2.gz VEWXAZOJJUNFRJ-OAHLLOKOSA-N 1 1 388.493 3.561 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511856635 840967427 /nfs/dbraw/zinc/96/74/27/840967427.db2.gz YUDWKBTXDTVHRM-NSHGMRRFSA-N 1 1 395.459 3.810 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181679316 840988604 /nfs/dbraw/zinc/98/86/04/840988604.db2.gz PIVPQFXEWVNHIH-DZGCQCFKSA-N 1 1 377.510 3.700 20 5 GHBDMO COc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000511701153 841204176 /nfs/dbraw/zinc/20/41/76/841204176.db2.gz FTPCQYKVARGQPP-IBGZPJMESA-N 1 1 397.475 3.634 20 5 GHBDMO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000500014251 841260889 /nfs/dbraw/zinc/26/08/89/841260889.db2.gz ZDAOWXKZJCIECQ-HKUYNNGSSA-N 1 1 396.491 3.691 20 5 GHBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H]1C ZINC000500111303 841464715 /nfs/dbraw/zinc/46/47/15/841464715.db2.gz IEWWBKLSOMRCLZ-DLBZAZTESA-N 1 1 396.491 3.762 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000489811007 861251581 /nfs/dbraw/zinc/25/15/81/861251581.db2.gz SPHZSADGDPJVEH-LBPRGKRZSA-N 1 1 386.349 3.866 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000489811007 861251591 /nfs/dbraw/zinc/25/15/91/861251591.db2.gz SPHZSADGDPJVEH-LBPRGKRZSA-N 1 1 386.349 3.866 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000477316041 841992141 /nfs/dbraw/zinc/99/21/41/841992141.db2.gz BNTXZSKYRHFNRH-MRXNPFEDSA-N 1 1 399.466 3.825 20 5 GHBDMO Cc1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1[N+](=O)[O-] ZINC000549618690 842003144 /nfs/dbraw/zinc/00/31/44/842003144.db2.gz UYSIMFLMBLRXKZ-LJQANCHMSA-N 1 1 396.491 3.639 20 5 GHBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC001266797191 842004896 /nfs/dbraw/zinc/00/48/96/842004896.db2.gz IEGFCTDQAVEOQH-CVEARBPZSA-N 1 1 382.464 3.893 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000599508065 861262388 /nfs/dbraw/zinc/26/23/88/861262388.db2.gz UBETVOJTELKZOK-UHFFFAOYSA-N 1 1 388.395 3.564 20 5 GHBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604520679 842055565 /nfs/dbraw/zinc/05/55/65/842055565.db2.gz BCCWQFCPAOTNOR-UTKZUKDTSA-N 1 1 383.448 3.633 20 5 GHBDMO C[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1Cc1ccccc1 ZINC000585756135 842264543 /nfs/dbraw/zinc/26/45/43/842264543.db2.gz KMSBGXVHMAUUOB-NRFANRHFSA-N 1 1 392.459 3.609 20 5 GHBDMO CC[C@H](OC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001266836082 842386822 /nfs/dbraw/zinc/38/68/22/842386822.db2.gz YNDRUPSOYRLDGP-LEWJYISDSA-N 1 1 397.475 3.578 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C1 ZINC000247412328 842589041 /nfs/dbraw/zinc/58/90/41/842589041.db2.gz NHOKAJXXQDCMJQ-GUYCJALGSA-N 1 1 388.493 3.521 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCSC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000430756854 842939089 /nfs/dbraw/zinc/93/90/89/842939089.db2.gz NCYPRUABCRNRHT-UHFFFAOYSA-N 1 1 377.510 3.984 20 5 GHBDMO COc1cc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000512192671 842953953 /nfs/dbraw/zinc/95/39/53/842953953.db2.gz BGEBHASICAAKHQ-DLBZAZTESA-N 1 1 391.512 3.698 20 5 GHBDMO COc1cc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000510806918 843515786 /nfs/dbraw/zinc/51/57/86/843515786.db2.gz RCLYTAQRVZRYCO-INIZCTEOSA-N 1 1 397.475 3.765 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)C1 ZINC000603941803 861425917 /nfs/dbraw/zinc/42/59/17/861425917.db2.gz XJKXJNRSWOXRRA-OAHLLOKOSA-N 1 1 385.439 3.896 20 5 GHBDMO CC(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000024745466 843627520 /nfs/dbraw/zinc/62/75/20/843627520.db2.gz YXFUOVNMHPZSOU-HXUWFJFHSA-N 1 1 382.464 3.799 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001126285281 843637701 /nfs/dbraw/zinc/63/77/01/843637701.db2.gz AXVGUWHTGVODSP-NRFANRHFSA-N 1 1 393.487 3.797 20 5 GHBDMO COCCn1cc2c(n1)[C@H]([NH2+][C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CCC2 ZINC000433225501 843884200 /nfs/dbraw/zinc/88/42/00/843884200.db2.gz IPFZZQLEJWPRPN-MOPGFXCFSA-N 1 1 384.480 3.827 20 5 GHBDMO C[C@@H]1CCC[C@@](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000237512627 843950594 /nfs/dbraw/zinc/95/05/94/843950594.db2.gz XWCGQZUTTTUYSE-IIBYNOLFSA-N 1 1 385.512 3.595 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000729047796 844699049 /nfs/dbraw/zinc/69/90/49/844699049.db2.gz XJYSISOQQMWTHK-SJORKVTESA-N 1 1 376.501 3.635 20 5 GHBDMO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599661301 861494490 /nfs/dbraw/zinc/49/44/90/861494490.db2.gz SOZSUFKSABVVSA-QGZVFWFLSA-N 1 1 398.507 3.814 20 5 GHBDMO CCc1ccc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000190332255 844818342 /nfs/dbraw/zinc/81/83/42/844818342.db2.gz LYGNQNPTISBEDP-HXUWFJFHSA-N 1 1 383.448 3.559 20 5 GHBDMO CCc1ccc([C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000190332255 844818347 /nfs/dbraw/zinc/81/83/47/844818347.db2.gz LYGNQNPTISBEDP-HXUWFJFHSA-N 1 1 383.448 3.559 20 5 GHBDMO COC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599683237 861523744 /nfs/dbraw/zinc/52/37/44/861523744.db2.gz OMZCIKZTRDWEDB-HNAYVOBHSA-N 1 1 383.448 3.558 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000582010754 845164328 /nfs/dbraw/zinc/16/43/28/845164328.db2.gz BMTYLYQPKFIIOZ-CQSZACIVSA-N 1 1 394.903 3.526 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000433071366 845164735 /nfs/dbraw/zinc/16/47/35/845164735.db2.gz YAVWQJQEYAMXLL-GOSISDBHSA-N 1 1 397.475 3.984 20 5 GHBDMO COc1cc[nH+]c(N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c1 ZINC000513387061 845337667 /nfs/dbraw/zinc/33/76/67/845337667.db2.gz VAZYUWZYMPMFGS-UHFFFAOYSA-N 1 1 394.431 3.581 20 5 GHBDMO COc1ccnc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c1 ZINC000513387061 845337683 /nfs/dbraw/zinc/33/76/83/845337683.db2.gz VAZYUWZYMPMFGS-UHFFFAOYSA-N 1 1 394.431 3.581 20 5 GHBDMO CC(C)[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc([N+](=O)[O-])cc1 ZINC000513391993 845346490 /nfs/dbraw/zinc/34/64/90/845346490.db2.gz JAGCEIUMIJQAQA-UHFFFAOYSA-N 1 1 385.508 3.890 20 5 GHBDMO CC(C)[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc([N+](=O)[O-])cc1 ZINC000513391993 845346503 /nfs/dbraw/zinc/34/65/03/845346503.db2.gz JAGCEIUMIJQAQA-UHFFFAOYSA-N 1 1 385.508 3.890 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000843806807 861558412 /nfs/dbraw/zinc/55/84/12/861558412.db2.gz YIUHALUSMFLXRW-FZKQIMNGSA-N 1 1 391.468 3.917 20 5 GHBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000513598034 845712503 /nfs/dbraw/zinc/71/25/03/845712503.db2.gz PAIIMYLQEOLQEH-NRFANRHFSA-N 1 1 396.491 3.568 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000539245080 846041822 /nfs/dbraw/zinc/04/18/22/846041822.db2.gz VKXPTBBISUFXLB-SJORKVTESA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000539245080 846041823 /nfs/dbraw/zinc/04/18/23/846041823.db2.gz VKXPTBBISUFXLB-SJORKVTESA-N 1 1 382.464 3.572 20 5 GHBDMO C/C(=C/C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785112101 846121929 /nfs/dbraw/zinc/12/19/29/846121929.db2.gz JTIUCRFRIXRAJT-ICFOKQHNSA-N 1 1 397.450 3.872 20 5 GHBDMO C/C(=C/C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785112101 846121935 /nfs/dbraw/zinc/12/19/35/846121935.db2.gz JTIUCRFRIXRAJT-ICFOKQHNSA-N 1 1 397.450 3.872 20 5 GHBDMO C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CCc1ccccc1[N+](=O)[O-] ZINC000511076185 846384883 /nfs/dbraw/zinc/38/48/83/846384883.db2.gz VRZWUQCGMLIODR-FQEVSTJZSA-N 1 1 381.476 3.653 20 5 GHBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551714236 846487635 /nfs/dbraw/zinc/48/76/35/846487635.db2.gz UWDOUBYYQWWQCR-UHFFFAOYSA-N 1 1 396.291 3.961 20 5 GHBDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]2C ZINC000501050827 846578427 /nfs/dbraw/zinc/57/84/27/846578427.db2.gz HTLRLHBSXKACHA-CABCVRRESA-N 1 1 383.448 3.940 20 5 GHBDMO Cc1ccccc1[C@]1(F)CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000502929615 846624380 /nfs/dbraw/zinc/62/43/80/846624380.db2.gz FBHDUYSVJFNEDW-NRFANRHFSA-N 1 1 399.422 3.772 20 5 GHBDMO Cc1ccccc1[C@]1(F)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000502929615 846624386 /nfs/dbraw/zinc/62/43/86/846624386.db2.gz FBHDUYSVJFNEDW-NRFANRHFSA-N 1 1 399.422 3.772 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000511108925 847027790 /nfs/dbraw/zinc/02/77/90/847027790.db2.gz NQOBWQNWFBLSLQ-UHFFFAOYSA-N 1 1 381.354 3.727 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000511108925 847027794 /nfs/dbraw/zinc/02/77/94/847027794.db2.gz NQOBWQNWFBLSLQ-UHFFFAOYSA-N 1 1 381.354 3.727 20 5 GHBDMO O=[N+]([O-])c1ccc2ccnc(NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)c2c1 ZINC000413242333 847033440 /nfs/dbraw/zinc/03/34/40/847033440.db2.gz LBKYOIJUWOLYGV-HXUWFJFHSA-N 1 1 392.459 3.712 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000501603717 847040635 /nfs/dbraw/zinc/04/06/35/847040635.db2.gz HDHUQBUYRRNROJ-JKSUJKDBSA-N 1 1 392.459 3.811 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000501592651 847046343 /nfs/dbraw/zinc/04/63/43/847046343.db2.gz LIKLQJWJLCFGQY-HOTGVXAUSA-N 1 1 392.459 3.811 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[N@H+]1CCOC ZINC000501599193 847050636 /nfs/dbraw/zinc/05/06/36/847050636.db2.gz CEDTXWGSKDSWNH-LJQANCHMSA-N 1 1 391.515 3.961 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cccc2ccccc21 ZINC000511139826 847404604 /nfs/dbraw/zinc/40/46/04/847404604.db2.gz RNCACYWXIZPPQG-IBGZPJMESA-N 1 1 380.444 3.662 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000511141859 847421377 /nfs/dbraw/zinc/42/13/77/847421377.db2.gz NLIGIOZRDKGQHQ-NSHDSACASA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000511141859 847421380 /nfs/dbraw/zinc/42/13/80/847421380.db2.gz NLIGIOZRDKGQHQ-NSHDSACASA-N 1 1 393.793 3.529 20 5 GHBDMO C[N@H+]1CCC[C@H](CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000413446060 847424611 /nfs/dbraw/zinc/42/46/11/847424611.db2.gz UPVFIFBYSKSKMR-SNVBAGLBSA-N 1 1 382.333 3.788 20 5 GHBDMO O=c1ccccn1C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000503202270 847472767 /nfs/dbraw/zinc/47/27/67/847472767.db2.gz FOTGTJWCPFVPAR-SFHVURJKSA-N 1 1 383.835 3.941 20 5 GHBDMO COc1cc(C[NH2+]CCN2CCCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237168238 847753382 /nfs/dbraw/zinc/75/33/82/847753382.db2.gz DSNFPGDWOLYVHP-UHFFFAOYSA-N 1 1 399.491 3.758 20 5 GHBDMO CCCn1nccc1C1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000502334611 847763591 /nfs/dbraw/zinc/76/35/91/847763591.db2.gz RFAQSSWRSUQKNM-UHFFFAOYSA-N 1 1 388.468 3.598 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303673512 861834172 /nfs/dbraw/zinc/83/41/72/861834172.db2.gz XKMUWUHECGQOTD-FGTMMUONSA-N 1 1 388.512 3.508 20 5 GHBDMO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611713962 848285206 /nfs/dbraw/zinc/28/52/06/848285206.db2.gz NWEUGOKIHPPRGX-DOTOQJQBSA-N 1 1 377.448 3.861 20 5 GHBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc([S@@](C)=O)cc1 ZINC000178804025 849256194 /nfs/dbraw/zinc/25/61/94/849256194.db2.gz SJHSCUVRMHTLJM-MUUNZHRXSA-N 1 1 399.472 3.662 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](O)C3)o2)c(Br)c1 ZINC000158771536 849726599 /nfs/dbraw/zinc/72/65/99/849726599.db2.gz MEUSQZDZBMBKTN-LBPRGKRZSA-N 1 1 381.226 3.574 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000434901725 849884544 /nfs/dbraw/zinc/88/45/44/849884544.db2.gz YOFJSIJZMWZZQH-CRAIPNDOSA-N 1 1 383.448 3.810 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000514727266 850228733 /nfs/dbraw/zinc/22/87/33/850228733.db2.gz QUVWQOCNMHNNJG-UHFFFAOYSA-N 1 1 378.469 3.616 20 5 GHBDMO COc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1OC(C)C ZINC000505638169 850255435 /nfs/dbraw/zinc/25/54/35/850255435.db2.gz PDMKHLXUZJQEMU-UHFFFAOYSA-N 1 1 385.464 3.713 20 5 GHBDMO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435374820 850421851 /nfs/dbraw/zinc/42/18/51/850421851.db2.gz YSJPSFPVNYTJNK-IRXDYDNUSA-N 1 1 391.475 3.617 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)ccc1Oc1ccc(F)cc1 ZINC000425361949 850432415 /nfs/dbraw/zinc/43/24/15/850432415.db2.gz YWINQBQAEMRSFX-AWEZNQCLSA-N 1 1 383.383 3.634 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)ccc1Oc1ccc(F)cc1 ZINC000425356617 850434444 /nfs/dbraw/zinc/43/44/44/850434444.db2.gz WSQPZPSISCXTPD-QGZVFWFLSA-N 1 1 397.410 3.955 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)ccc1Oc1ccc(F)cc1 ZINC000425356617 850434451 /nfs/dbraw/zinc/43/44/51/850434451.db2.gz WSQPZPSISCXTPD-QGZVFWFLSA-N 1 1 397.410 3.955 20 5 GHBDMO COc1cccc(C2(C[NH2+][C@@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000514929633 850497778 /nfs/dbraw/zinc/49/77/78/850497778.db2.gz VTWDTBZCSUWZSS-HXUWFJFHSA-N 1 1 392.459 3.748 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000439935092 850605643 /nfs/dbraw/zinc/60/56/43/850605643.db2.gz UDKTUNUZVBJMBV-OAHLLOKOSA-N 1 1 378.473 3.627 20 5 GHBDMO CCc1ccc(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487311374 850680891 /nfs/dbraw/zinc/68/08/91/850680891.db2.gz CWXGXWOWRXYNJD-OXJNMPFZSA-N 1 1 381.476 3.798 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000506748562 850724383 /nfs/dbraw/zinc/72/43/83/850724383.db2.gz MPHGUGZYFIRQCY-OAHLLOKOSA-N 1 1 379.526 3.901 20 5 GHBDMO CC(C)([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000425418901 851003197 /nfs/dbraw/zinc/00/31/97/851003197.db2.gz KGOXHWDYSRMTIV-UHFFFAOYSA-N 1 1 398.301 3.532 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434423255 851111846 /nfs/dbraw/zinc/11/18/46/851111846.db2.gz DFWOJAAVIJOEOK-INIZCTEOSA-N 1 1 377.510 3.842 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000515503109 851122481 /nfs/dbraw/zinc/12/24/81/851122481.db2.gz VIOXSDUQJDGHPI-SFHVURJKSA-N 1 1 376.840 3.653 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000440400501 851159563 /nfs/dbraw/zinc/15/95/63/851159563.db2.gz ADXUZKXGJDSWAQ-KRWDZBQOSA-N 1 1 389.459 3.935 20 5 GHBDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000434621518 851338057 /nfs/dbraw/zinc/33/80/57/851338057.db2.gz UDLLRZRCPJCENU-XLIONFOSSA-N 1 1 376.428 3.803 20 5 GHBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436284273 851407612 /nfs/dbraw/zinc/40/76/12/851407612.db2.gz MQVOEQQPFJUOQD-JXFKEZNVSA-N 1 1 388.512 3.699 20 5 GHBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000436284273 851407616 /nfs/dbraw/zinc/40/76/16/851407616.db2.gz MQVOEQQPFJUOQD-JXFKEZNVSA-N 1 1 388.512 3.699 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521707 862244500 /nfs/dbraw/zinc/24/45/00/862244500.db2.gz UYXOMPVYXUXFHN-GCJKJVERSA-N 1 1 397.475 3.941 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[NH2+]2)cc1 ZINC000505482774 851524791 /nfs/dbraw/zinc/52/47/91/851524791.db2.gz BXFRYHNBEQWQAF-GOSISDBHSA-N 1 1 379.416 3.690 20 5 GHBDMO COc1cccc(C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC(C)C)c1 ZINC000604494600 862255635 /nfs/dbraw/zinc/25/56/35/862255635.db2.gz CTDPIPUTOIIKNK-UHFFFAOYSA-N 1 1 385.464 3.724 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000604549669 862272679 /nfs/dbraw/zinc/27/26/79/862272679.db2.gz YFROZVLMDXSVFL-KRWDZBQOSA-N 1 1 392.459 3.718 20 5 GHBDMO Cc1ccc(Sc2ccc(C[NH2+]CC(=O)NCC(F)F)cc2[N+](=O)[O-])cc1 ZINC000481817125 862309287 /nfs/dbraw/zinc/30/92/87/862309287.db2.gz UDCDCTVQRJUZEU-UHFFFAOYSA-N 1 1 395.431 3.525 20 5 GHBDMO CC(C)c1ccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000516209648 852292424 /nfs/dbraw/zinc/29/24/24/852292424.db2.gz GKGGHKDWGSWJJU-KRWDZBQOSA-N 1 1 385.464 3.818 20 5 GHBDMO Cc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000425626829 852308383 /nfs/dbraw/zinc/30/83/83/852308383.db2.gz UPSSWPPOPNFATJ-FXAWDEMLSA-N 1 1 380.448 3.641 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489509252 852418331 /nfs/dbraw/zinc/41/83/31/852418331.db2.gz GJWABFPDHOYWKU-MAUKXSAKSA-N 1 1 398.463 3.636 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[N@H+]1C ZINC000438490097 852477553 /nfs/dbraw/zinc/47/75/53/852477553.db2.gz KJJSYURFRHQVGY-GOEBONIOSA-N 1 1 384.436 3.991 20 5 GHBDMO Cc1c(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000507096585 852541678 /nfs/dbraw/zinc/54/16/78/852541678.db2.gz HPQUYBQPXGHZQH-UHFFFAOYSA-N 1 1 381.476 3.684 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000732574833 862371210 /nfs/dbraw/zinc/37/12/10/862371210.db2.gz BWUVVBYJMFSDNI-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000732574833 862371229 /nfs/dbraw/zinc/37/12/29/862371229.db2.gz BWUVVBYJMFSDNI-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000507142885 852590325 /nfs/dbraw/zinc/59/03/25/852590325.db2.gz KJIAIQPCWNWNCW-UHFFFAOYSA-N 1 1 384.388 3.768 20 5 GHBDMO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000507142885 852590334 /nfs/dbraw/zinc/59/03/34/852590334.db2.gz KJIAIQPCWNWNCW-UHFFFAOYSA-N 1 1 384.388 3.768 20 5 GHBDMO C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000490003618 852699883 /nfs/dbraw/zinc/69/98/83/852699883.db2.gz NFRWTKKOVCXDMA-HOTGVXAUSA-N 1 1 388.512 3.782 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000490028784 852713386 /nfs/dbraw/zinc/71/33/86/852713386.db2.gz HMEDMOYCFNVOPU-AWEZNQCLSA-N 1 1 383.477 3.791 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccc(C)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000490079482 852751663 /nfs/dbraw/zinc/75/16/63/852751663.db2.gz KPRQHFLZHWNTBC-WBVHZDCISA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccc(C)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000490079482 852751667 /nfs/dbraw/zinc/75/16/67/852751667.db2.gz KPRQHFLZHWNTBC-WBVHZDCISA-N 1 1 383.448 3.728 20 5 GHBDMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000507302452 852779705 /nfs/dbraw/zinc/77/97/05/852779705.db2.gz MGBUSGDOIZOUPR-QAPCUYQASA-N 1 1 383.448 3.598 20 5 GHBDMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000507302452 852779709 /nfs/dbraw/zinc/77/97/09/852779709.db2.gz MGBUSGDOIZOUPR-QAPCUYQASA-N 1 1 383.448 3.598 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490227982 852841127 /nfs/dbraw/zinc/84/11/27/852841127.db2.gz XGIMLFACXSEVTE-RTBURBONSA-N 1 1 389.402 3.827 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490227982 852841133 /nfs/dbraw/zinc/84/11/33/852841133.db2.gz XGIMLFACXSEVTE-RTBURBONSA-N 1 1 389.402 3.827 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000516688533 852889508 /nfs/dbraw/zinc/88/95/08/852889508.db2.gz HJAMGRVJEMAEFC-QUCCMNQESA-N 1 1 381.476 3.557 20 5 GHBDMO CCC(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000516716309 852932614 /nfs/dbraw/zinc/93/26/14/852932614.db2.gz KWASCNJUFGNXNI-QGZVFWFLSA-N 1 1 398.891 3.507 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000067361228 853458079 /nfs/dbraw/zinc/45/80/79/853458079.db2.gz SKQJOYJCMMOBTM-KRWDZBQOSA-N 1 1 392.459 3.718 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000517251801 853569856 /nfs/dbraw/zinc/56/98/56/853569856.db2.gz OPNIAFZYCVGGIA-NRFANRHFSA-N 1 1 391.475 3.676 20 5 GHBDMO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000732799619 862499262 /nfs/dbraw/zinc/49/92/62/862499262.db2.gz YISKRZHGSPRKHT-LJQANCHMSA-N 1 1 381.432 3.786 20 5 GHBDMO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000732799619 862499270 /nfs/dbraw/zinc/49/92/70/862499270.db2.gz YISKRZHGSPRKHT-LJQANCHMSA-N 1 1 381.432 3.786 20 5 GHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000156527174 853841009 /nfs/dbraw/zinc/84/10/09/853841009.db2.gz IVAOWHOVWXZSSL-LRDDRELGSA-N 1 1 378.860 3.729 20 5 GHBDMO C[C@H](c1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000133462658 862558166 /nfs/dbraw/zinc/55/81/66/862558166.db2.gz FZLUSMNXWPURKJ-MRXNPFEDSA-N 1 1 383.448 3.559 20 5 GHBDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000543541676 862607263 /nfs/dbraw/zinc/60/72/63/862607263.db2.gz ICFICSKPKGUZQK-CQSZACIVSA-N 1 1 382.420 3.937 20 5 GHBDMO C[C@H](NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793303 854826251 /nfs/dbraw/zinc/82/62/51/854826251.db2.gz YVDPVYPKTCQXAO-JYJNAYRXSA-N 1 1 387.505 3.837 20 5 GHBDMO C[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793303 854826253 /nfs/dbraw/zinc/82/62/53/854826253.db2.gz YVDPVYPKTCQXAO-JYJNAYRXSA-N 1 1 387.505 3.837 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CCCc3cc(OC)ccc32)c1 ZINC000589496479 854909177 /nfs/dbraw/zinc/90/91/77/854909177.db2.gz XGRYJGWTHWZMKU-FQEVSTJZSA-N 1 1 384.432 3.899 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)c1 ZINC000589510604 854972264 /nfs/dbraw/zinc/97/22/64/854972264.db2.gz NKAPOURDHNONMM-XOBRGWDASA-N 1 1 384.432 3.973 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])sc2C1 ZINC000273043320 855044702 /nfs/dbraw/zinc/04/47/02/855044702.db2.gz PNJBUQIXTNSHBS-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])sc2C1 ZINC000273043320 855044704 /nfs/dbraw/zinc/04/47/04/855044704.db2.gz PNJBUQIXTNSHBS-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000130810041 855123608 /nfs/dbraw/zinc/12/36/08/855123608.db2.gz XEUCCOYOSBCLAZ-HKUYNNGSSA-N 1 1 396.491 3.518 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000187608576 855128630 /nfs/dbraw/zinc/12/86/30/855128630.db2.gz ALAJCCOASXZSEQ-IBGZPJMESA-N 1 1 387.867 3.889 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000130824275 855196486 /nfs/dbraw/zinc/19/64/86/855196486.db2.gz UPDQSAHCIHQCSS-IRXDYDNUSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000130824275 855196492 /nfs/dbraw/zinc/19/64/92/855196492.db2.gz UPDQSAHCIHQCSS-IRXDYDNUSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590315359 855372787 /nfs/dbraw/zinc/37/27/87/855372787.db2.gz ZCHDYBMGJYKSPW-MRXNPFEDSA-N 1 1 379.338 3.530 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590315359 855372793 /nfs/dbraw/zinc/37/27/93/855372793.db2.gz ZCHDYBMGJYKSPW-MRXNPFEDSA-N 1 1 379.338 3.530 20 5 GHBDMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590422664 855401171 /nfs/dbraw/zinc/40/11/71/855401171.db2.gz DAZPLQNBOUGIQP-PXNSSMCTSA-N 1 1 381.476 3.727 20 5 GHBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)C2)C1 ZINC000590456417 855407280 /nfs/dbraw/zinc/40/72/80/855407280.db2.gz RYTBZQIEPLOMKI-HXUWFJFHSA-N 1 1 389.521 3.797 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000542701834 855502665 /nfs/dbraw/zinc/50/26/65/855502665.db2.gz PPONVHGWSHVLGK-QGZVFWFLSA-N 1 1 379.254 3.831 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000573281759 856009239 /nfs/dbraw/zinc/00/92/39/856009239.db2.gz SJTRVNGKYZSNCL-SUMWQHHRSA-N 1 1 396.451 3.565 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000573243497 856020705 /nfs/dbraw/zinc/02/07/05/856020705.db2.gz PHOKXOBGMWBPQS-ZFWWWQNUSA-N 1 1 397.401 3.842 20 5 GHBDMO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273859590 856082851 /nfs/dbraw/zinc/08/28/51/856082851.db2.gz IRJHOTWYCRJQBK-CABCVRRESA-N 1 1 391.487 3.781 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000573423526 856118513 /nfs/dbraw/zinc/11/85/13/856118513.db2.gz FOLQGJIFLBGXJS-XCLNPWKQSA-N 1 1 389.496 3.575 20 5 GHBDMO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485167049 856179562 /nfs/dbraw/zinc/17/95/62/856179562.db2.gz LFIQCSMCHQRVGW-YJBOKZPZSA-N 1 1 394.475 3.802 20 5 GHBDMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429230155 856320534 /nfs/dbraw/zinc/32/05/34/856320534.db2.gz KDRNHZZMLCGJEH-ZDUSSCGKSA-N 1 1 391.418 3.917 20 5 GHBDMO Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000043148081 856495426 /nfs/dbraw/zinc/49/54/26/856495426.db2.gz XVXIUKXWIXPASZ-UHFFFAOYSA-N 1 1 386.427 3.782 20 5 GHBDMO Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000043148081 856495432 /nfs/dbraw/zinc/49/54/32/856495432.db2.gz XVXIUKXWIXPASZ-UHFFFAOYSA-N 1 1 386.427 3.782 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)CC1CCCC1)[C@H]1CC[C@H](O)CC1 ZINC000592132477 856675086 /nfs/dbraw/zinc/67/50/86/856675086.db2.gz GXXSTHBQSVQIFR-UFYCRDLUSA-N 1 1 376.497 3.642 20 5 GHBDMO O=C(CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000592139809 856690299 /nfs/dbraw/zinc/69/02/99/856690299.db2.gz ZVLUDBADYAOWDL-NRFANRHFSA-N 1 1 397.475 3.587 20 5 GHBDMO C[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000485589926 856793308 /nfs/dbraw/zinc/79/33/08/856793308.db2.gz HKMYCYXLIJWICS-KRWDZBQOSA-N 1 1 396.491 3.789 20 5 GHBDMO CC1CC[NH+]([C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000427905440 856863534 /nfs/dbraw/zinc/86/35/34/856863534.db2.gz FKINTIXZMYOVPJ-QGZVFWFLSA-N 1 1 389.477 3.565 20 5 GHBDMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccccc1 ZINC000487408372 856940647 /nfs/dbraw/zinc/94/06/47/856940647.db2.gz CDECYOUOEJPQHP-UHFFFAOYSA-N 1 1 392.459 3.697 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)nc1 ZINC000173468564 856946115 /nfs/dbraw/zinc/94/61/15/856946115.db2.gz IINKISZXCGZZDB-HNNXBMFYSA-N 1 1 381.461 3.800 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301667504 856949693 /nfs/dbraw/zinc/94/96/93/856949693.db2.gz CTPFHOBHZQFMDH-KGLIPLIRSA-N 1 1 397.317 3.843 20 5 GHBDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245653438 857057758 /nfs/dbraw/zinc/05/77/58/857057758.db2.gz KPFHCPJUYIVZIH-GOEBONIOSA-N 1 1 393.509 3.916 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000843777857 857115052 /nfs/dbraw/zinc/11/50/52/857115052.db2.gz CQUZSCWCAQJJSE-AWEZNQCLSA-N 1 1 391.468 3.746 20 5 GHBDMO C[C@H](O)CC[N@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000173821741 857163221 /nfs/dbraw/zinc/16/32/21/857163221.db2.gz RZHVWGDTCLAICT-UGSOOPFHSA-N 1 1 391.855 3.631 20 5 GHBDMO C[C@H](O)CC[N@@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000173821741 857163225 /nfs/dbraw/zinc/16/32/25/857163225.db2.gz RZHVWGDTCLAICT-UGSOOPFHSA-N 1 1 391.855 3.631 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1n1ccnc1 ZINC000245758340 857166773 /nfs/dbraw/zinc/16/67/73/857166773.db2.gz ZUSLBXBXPLXRGL-CRAIPNDOSA-N 1 1 381.436 3.572 20 5 GHBDMO Cn1c2ccc(F)cc2[nH+]c1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000766107564 857178286 /nfs/dbraw/zinc/17/82/86/857178286.db2.gz INKKYYGHSRJCAV-UHFFFAOYSA-N 1 1 379.189 3.995 20 5 GHBDMO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000766109429 857180962 /nfs/dbraw/zinc/18/09/62/857180962.db2.gz SVMZKJDFPSOGCQ-OAHLLOKOSA-N 1 1 395.475 3.651 20 5 GHBDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000766109429 857180965 /nfs/dbraw/zinc/18/09/65/857180965.db2.gz SVMZKJDFPSOGCQ-OAHLLOKOSA-N 1 1 395.475 3.651 20 5 GHBDMO Cc1c(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245944108 857204099 /nfs/dbraw/zinc/20/40/99/857204099.db2.gz NIQKJCFPUAJMFR-JXFKEZNVSA-N 1 1 381.476 3.615 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000174148672 857216786 /nfs/dbraw/zinc/21/67/86/857216786.db2.gz DTFVQAOAGXJPJK-LAUBAEHRSA-N 1 1 397.475 3.941 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3[C@H]3CCCC[C@H]3O)o2)c1 ZINC000281203978 862888605 /nfs/dbraw/zinc/88/86/05/862888605.db2.gz AQKNNCNOECHRHW-GUDVDZBRSA-N 1 1 385.464 3.808 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000157732645 857250434 /nfs/dbraw/zinc/25/04/34/857250434.db2.gz RDAYPVZVTNKYTD-CRAIPNDOSA-N 1 1 391.537 3.899 20 5 GHBDMO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000485975405 857286591 /nfs/dbraw/zinc/28/65/91/857286591.db2.gz IZYCZNPZJXGTPG-DYVFJYSZSA-N 1 1 382.798 3.966 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000485975405 857286600 /nfs/dbraw/zinc/28/66/00/857286600.db2.gz IZYCZNPZJXGTPG-DYVFJYSZSA-N 1 1 382.798 3.966 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000246257773 857326925 /nfs/dbraw/zinc/32/69/25/857326925.db2.gz XWICUVJSASRNAP-DZGCQCFKSA-N 1 1 387.427 3.745 20 5 GHBDMO O=[N+]([O-])c1c(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc2sccn21 ZINC000301718826 857339507 /nfs/dbraw/zinc/33/95/07/857339507.db2.gz OWWBVGKBCXJNPV-DLBZAZTESA-N 1 1 397.504 3.795 20 5 GHBDMO O=[N+]([O-])c1c(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc2sccn21 ZINC000301718828 857340681 /nfs/dbraw/zinc/34/06/81/857340681.db2.gz OWWBVGKBCXJNPV-IRXDYDNUSA-N 1 1 397.504 3.795 20 5 GHBDMO CC(C)NC(=O)c1ccc(NCCC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000058666372 857364088 /nfs/dbraw/zinc/36/40/88/857364088.db2.gz BNZWITAUNNLEKR-UHFFFAOYSA-N 1 1 376.501 3.800 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000175082600 857436421 /nfs/dbraw/zinc/43/64/21/857436421.db2.gz PQEQVGQFWUNXQJ-INIZCTEOSA-N 1 1 399.495 3.691 20 5 GHBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000907088995 857476162 /nfs/dbraw/zinc/47/61/62/857476162.db2.gz ZISMPNCFTXUISO-KXBFYZLASA-N 1 1 391.899 3.656 20 5 GHBDMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000027374844 857944446 /nfs/dbraw/zinc/94/44/46/857944446.db2.gz JPMQGNYPVHZSEU-LJQANCHMSA-N 1 1 383.448 3.820 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COCc1ccccc1F ZINC000066483806 858147359 /nfs/dbraw/zinc/14/73/59/858147359.db2.gz OXVMBXKCJFYGCR-LJQANCHMSA-N 1 1 376.428 3.522 20 5 GHBDMO Cc1[nH+]cn(CCCCc2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)c1C ZINC000594535053 858213613 /nfs/dbraw/zinc/21/36/13/858213613.db2.gz RMHANWBHUOFHAT-UHFFFAOYSA-N 1 1 394.435 3.817 20 5 GHBDMO CCOC(=O)CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000594611232 858240921 /nfs/dbraw/zinc/24/09/21/858240921.db2.gz OIFTXPTULAEARF-UHFFFAOYSA-N 1 1 377.466 3.882 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000066853200 858322314 /nfs/dbraw/zinc/32/23/14/858322314.db2.gz XXXFJVYAJGGGSS-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000066853200 858322320 /nfs/dbraw/zinc/32/23/20/858322320.db2.gz XXXFJVYAJGGGSS-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000439103196 858333330 /nfs/dbraw/zinc/33/33/30/858333330.db2.gz TZEGLYQKQBTQSF-AWEZNQCLSA-N 1 1 375.856 3.807 20 5 GHBDMO COc1ccc(C[NH2+][C@@H](C)c2nccn2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594995478 858361075 /nfs/dbraw/zinc/36/10/75/858361075.db2.gz MBLCUVAJTTUGGN-HNNXBMFYSA-N 1 1 396.447 3.767 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000595009205 858365578 /nfs/dbraw/zinc/36/55/78/858365578.db2.gz BCXLTILIYHQWSP-PKOBYXMFSA-N 1 1 383.492 3.819 20 5 GHBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000574967829 858477091 /nfs/dbraw/zinc/47/70/91/858477091.db2.gz AVOXDMMDVICSNE-INIZCTEOSA-N 1 1 385.464 3.632 20 5 GHBDMO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC000595412939 858523959 /nfs/dbraw/zinc/52/39/59/858523959.db2.gz PLGTWDUNGWSGLY-ZDUSSCGKSA-N 1 1 378.400 3.619 20 5 GHBDMO CCN1CC[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000595473333 858540933 /nfs/dbraw/zinc/54/09/33/858540933.db2.gz ASSNEQXDBUSQPE-RHSMWYFYSA-N 1 1 382.823 3.609 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000593020612 858542437 /nfs/dbraw/zinc/54/24/37/858542437.db2.gz PZOOPNCWUHLAAE-ZDUSSCGKSA-N 1 1 397.431 3.581 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000593103736 858644560 /nfs/dbraw/zinc/64/45/60/858644560.db2.gz NNODLLUYEQWBRX-FUHWJXTLSA-N 1 1 399.466 3.693 20 5 GHBDMO C[N@@H+](CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000543151688 858649567 /nfs/dbraw/zinc/64/95/67/858649567.db2.gz TZAQPQMRUARHBM-UHFFFAOYSA-N 1 1 393.896 3.589 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)CC2=CCCOC2)cc1OC ZINC000595746721 858673064 /nfs/dbraw/zinc/67/30/64/858673064.db2.gz BYBIZDVEQIXRCG-OAHLLOKOSA-N 1 1 378.469 3.807 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)CC2=CCCOC2)cc1OC ZINC000595746721 858673067 /nfs/dbraw/zinc/67/30/67/858673067.db2.gz BYBIZDVEQIXRCG-OAHLLOKOSA-N 1 1 378.469 3.807 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595906859 858714043 /nfs/dbraw/zinc/71/40/43/858714043.db2.gz AUGDCFMMCZGNSB-HNNXBMFYSA-N 1 1 383.496 3.726 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000543181818 858757913 /nfs/dbraw/zinc/75/79/13/858757913.db2.gz NNVDALKHRHGPCP-IFXJQAMLSA-N 1 1 399.447 3.634 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000543181818 858757918 /nfs/dbraw/zinc/75/79/18/858757918.db2.gz NNVDALKHRHGPCP-IFXJQAMLSA-N 1 1 399.447 3.634 20 5 GHBDMO COC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H](C)O1 ZINC000249148126 858771218 /nfs/dbraw/zinc/77/12/18/858771218.db2.gz GTHXVEMTZPCCGN-DOMZBBRYSA-N 1 1 380.828 3.744 20 5 GHBDMO COC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H](C)O1 ZINC000249148126 858771223 /nfs/dbraw/zinc/77/12/23/858771223.db2.gz GTHXVEMTZPCCGN-DOMZBBRYSA-N 1 1 380.828 3.744 20 5 GHBDMO C[C@H]1C[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000482707603 858782103 /nfs/dbraw/zinc/78/21/03/858782103.db2.gz MOGSWCPSSLQMCJ-WMZOPIPTSA-N 1 1 393.491 3.956 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)nc2c1 ZINC000482707939 858782127 /nfs/dbraw/zinc/78/21/27/858782127.db2.gz PVADJRNOGKTKDW-UHFFFAOYSA-N 1 1 376.420 3.727 20 5 GHBDMO Cc1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001127726490 858806449 /nfs/dbraw/zinc/80/64/49/858806449.db2.gz ASODOXFIKSGQSD-ZIAGYGMSSA-N 1 1 382.464 3.763 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000593168802 858870517 /nfs/dbraw/zinc/87/05/17/858870517.db2.gz WNUJSSSEEKMCQM-GOSISDBHSA-N 1 1 382.464 3.602 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000593168802 858870529 /nfs/dbraw/zinc/87/05/29/858870529.db2.gz WNUJSSSEEKMCQM-GOSISDBHSA-N 1 1 382.464 3.602 20 5 GHBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000466268777 858938466 /nfs/dbraw/zinc/93/84/66/858938466.db2.gz FWPAQZGYKDYIGJ-GOSISDBHSA-N 1 1 391.830 3.668 20 5 GHBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000466268777 858938476 /nfs/dbraw/zinc/93/84/76/858938476.db2.gz FWPAQZGYKDYIGJ-GOSISDBHSA-N 1 1 391.830 3.668 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc([N+](=O)[O-])s3)n2)O1 ZINC000596614520 858970192 /nfs/dbraw/zinc/97/01/92/858970192.db2.gz ZGACKKMRBDSPMU-OCCSQVGLSA-N 1 1 386.433 3.668 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc([N+](=O)[O-])s3)n2)O1 ZINC000596614520 858970196 /nfs/dbraw/zinc/97/01/96/858970196.db2.gz ZGACKKMRBDSPMU-OCCSQVGLSA-N 1 1 386.433 3.668 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494271913 881366175 /nfs/dbraw/zinc/36/61/75/881366175.db2.gz UTLRPGCSJWRRIY-CRAIPNDOSA-N 1 1 395.793 3.588 20 5 GHBDMO CC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000543637619 859150898 /nfs/dbraw/zinc/15/08/98/859150898.db2.gz GSCVAGMDMHLZDX-MRXNPFEDSA-N 1 1 386.427 3.692 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](Oc3ncccc3C)C2)c([N+](=O)[O-])c1 ZINC001170354865 881393055 /nfs/dbraw/zinc/39/30/55/881393055.db2.gz QUCFMQASBLUVBM-VQIMIIECSA-N 1 1 385.464 3.781 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000543644939 859197750 /nfs/dbraw/zinc/19/77/50/859197750.db2.gz SVNRNUYQACXUFF-SJORKVTESA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000543644939 859197751 /nfs/dbraw/zinc/19/77/51/859197751.db2.gz SVNRNUYQACXUFF-SJORKVTESA-N 1 1 392.818 3.954 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000601366320 859200022 /nfs/dbraw/zinc/20/00/22/859200022.db2.gz GRUIRCVENWOTCZ-NVXWUHKLSA-N 1 1 385.439 3.764 20 5 GHBDMO C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000601420203 859249264 /nfs/dbraw/zinc/24/92/64/859249264.db2.gz CDKOZQCGSVUSMJ-IAGOWNOFSA-N 1 1 385.508 3.786 20 5 GHBDMO C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@H+]1Cc1ccccc1 ZINC000160859069 859292150 /nfs/dbraw/zinc/29/21/50/859292150.db2.gz GUUNQWCWRHFXJJ-RHSMWYFYSA-N 1 1 380.448 3.554 20 5 GHBDMO CCc1ccc([C@@H](NC[C@@H]2CCC[N@H+]2CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359844 859309779 /nfs/dbraw/zinc/30/97/79/859309779.db2.gz VZZKIJDJLVEMTI-RXVVDRJESA-N 1 1 387.480 3.540 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]C[C@@H]2CCCN2CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359844 859309788 /nfs/dbraw/zinc/30/97/88/859309788.db2.gz VZZKIJDJLVEMTI-RXVVDRJESA-N 1 1 387.480 3.540 20 5 GHBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000483424870 859357460 /nfs/dbraw/zinc/35/74/60/859357460.db2.gz XHZQXNCVYVRZDS-FQEVSTJZSA-N 1 1 382.395 3.948 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1cccc([N+](=O)[O-])c1 ZINC000593323614 859406017 /nfs/dbraw/zinc/40/60/17/859406017.db2.gz RFPAWJFNODDDME-GHTZIAJQSA-N 1 1 391.475 3.824 20 5 GHBDMO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000611287574 859683519 /nfs/dbraw/zinc/68/35/19/859683519.db2.gz JWWPFVKVTQANBU-ZDUSSCGKSA-N 1 1 386.395 3.752 20 5 GHBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000611287574 859683525 /nfs/dbraw/zinc/68/35/25/859683525.db2.gz JWWPFVKVTQANBU-ZDUSSCGKSA-N 1 1 386.395 3.752 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000602020050 859705878 /nfs/dbraw/zinc/70/58/78/859705878.db2.gz IOWKKVUECAYKPX-JXFKEZNVSA-N 1 1 377.448 3.607 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611351206 859714980 /nfs/dbraw/zinc/71/49/80/859714980.db2.gz XWYIITDWXKOYGT-QLFBSQMISA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611351206 859714984 /nfs/dbraw/zinc/71/49/84/859714984.db2.gz XWYIITDWXKOYGT-QLFBSQMISA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000484006496 859750045 /nfs/dbraw/zinc/75/00/45/859750045.db2.gz LECOYMHITLBGIU-ZDUSSCGKSA-N 1 1 386.427 3.943 20 5 GHBDMO COc1ccc(C)cc1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000611519492 859797938 /nfs/dbraw/zinc/79/79/38/859797938.db2.gz KRQRQQUQUFPUKF-UHFFFAOYSA-N 1 1 396.390 3.854 20 5 GHBDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000611555161 859803984 /nfs/dbraw/zinc/80/39/84/859803984.db2.gz PNGWMSAPWUVZNO-RYUDHWBXSA-N 1 1 387.358 3.556 20 5 GHBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC000537126202 859820500 /nfs/dbraw/zinc/82/05/00/859820500.db2.gz DUTGOMOMIMJJQY-LLVKDONJSA-N 1 1 378.226 3.647 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593449027 859837732 /nfs/dbraw/zinc/83/77/32/859837732.db2.gz UPIHFXGIWJJLNC-UHFFFAOYSA-N 1 1 399.466 3.647 20 5 GHBDMO CCn1c(SCC[C@@H]2CCCC[N@H+]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000123682147 860036742 /nfs/dbraw/zinc/03/67/42/860036742.db2.gz HXUFCLNIPSRZSB-HNNXBMFYSA-N 1 1 375.498 3.840 20 5 GHBDMO COc1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000092435637 860046771 /nfs/dbraw/zinc/04/67/71/860046771.db2.gz RDSLQGVDJPWPQJ-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000092435637 860046786 /nfs/dbraw/zinc/04/67/86/860046786.db2.gz RDSLQGVDJPWPQJ-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000499903374 860140325 /nfs/dbraw/zinc/14/03/25/860140325.db2.gz JGUWVNOVSSMXET-OALUTQOASA-N 1 1 392.887 3.669 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000602632440 860184725 /nfs/dbraw/zinc/18/47/25/860184725.db2.gz JDQBFDRUPQIBKQ-GWCFXTLKSA-N 1 1 386.292 3.749 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000602632440 860184738 /nfs/dbraw/zinc/18/47/38/860184738.db2.gz JDQBFDRUPQIBKQ-GWCFXTLKSA-N 1 1 386.292 3.749 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124124377 860238228 /nfs/dbraw/zinc/23/82/28/860238228.db2.gz UNMPEEGGKXXTDD-YOCVDRLZSA-N 1 1 381.480 3.806 20 5 GHBDMO COc1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000093336868 860252757 /nfs/dbraw/zinc/25/27/57/860252757.db2.gz SFGXPFXUHQYNLP-GOSISDBHSA-N 1 1 399.491 3.566 20 5 GHBDMO CC[N@@H+](Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)CC(C)(C)O ZINC000093437174 860271033 /nfs/dbraw/zinc/27/10/33/860271033.db2.gz YLVXNJJTXJVVML-UHFFFAOYSA-N 1 1 388.464 3.775 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c(F)c1 ZINC000508964888 860302321 /nfs/dbraw/zinc/30/23/21/860302321.db2.gz FIWKBZNXOIHFNP-IBGZPJMESA-N 1 1 376.359 3.885 20 5 GHBDMO Cn1cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093665710 860325946 /nfs/dbraw/zinc/32/59/46/860325946.db2.gz IROILENHOLNBHZ-HXUWFJFHSA-N 1 1 384.480 3.919 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](Nc4ccccc4)C3)n2)c1 ZINC000154946419 860337647 /nfs/dbraw/zinc/33/76/47/860337647.db2.gz DHILYPNSGRNWFU-KRWDZBQOSA-N 1 1 379.420 3.721 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](Nc4ccccc4)C3)n2)c1 ZINC000154946419 860337650 /nfs/dbraw/zinc/33/76/50/860337650.db2.gz DHILYPNSGRNWFU-KRWDZBQOSA-N 1 1 379.420 3.721 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093820766 860357964 /nfs/dbraw/zinc/35/79/64/860357964.db2.gz WILOMRJJDJEFQS-JOCHJYFZSA-N 1 1 398.459 3.795 20 5 GHBDMO CN1CC[NH+](Cc2ccc(CNc3ccc4ncccc4c3[N+](=O)[O-])cc2)CC1 ZINC000484843308 860391018 /nfs/dbraw/zinc/39/10/18/860391018.db2.gz BXLBRNQLDWAIDM-UHFFFAOYSA-N 1 1 391.475 3.503 20 5 GHBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598558000 860394078 /nfs/dbraw/zinc/39/40/78/860394078.db2.gz BESIRNZTGMAENS-AWEZNQCLSA-N 1 1 397.928 3.579 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000155320502 860477051 /nfs/dbraw/zinc/47/70/51/860477051.db2.gz NNXDGTWHKBWSQV-INIZCTEOSA-N 1 1 380.404 3.643 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@@H](Cc4ccccc4)C3)n2)c1 ZINC000729984942 860484648 /nfs/dbraw/zinc/48/46/48/860484648.db2.gz BLGALEKANARPGZ-SFHVURJKSA-N 1 1 377.448 3.766 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000598963054 860692504 /nfs/dbraw/zinc/69/25/04/860692504.db2.gz LGVZAEKMVKUTPC-UHFFFAOYSA-N 1 1 388.317 3.973 20 5 GHBDMO COc1ccc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000125648730 860733942 /nfs/dbraw/zinc/73/39/42/860733942.db2.gz BRKQQTLGULANLR-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000125648730 860733953 /nfs/dbraw/zinc/73/39/53/860733953.db2.gz BRKQQTLGULANLR-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000522730487 863159348 /nfs/dbraw/zinc/15/93/48/863159348.db2.gz UGAWKHPHIZBWDG-AWEZNQCLSA-N 1 1 381.904 3.808 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc([N+](=O)[O-])c1OC ZINC000281559279 863248779 /nfs/dbraw/zinc/24/87/79/863248779.db2.gz KUUPIMIWVZHYIB-UHFFFAOYSA-N 1 1 393.827 3.579 20 5 GHBDMO C[C@@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000184412696 864432422 /nfs/dbraw/zinc/43/24/22/864432422.db2.gz CQCJFRQLILUDFO-JKSUJKDBSA-N 1 1 387.455 3.864 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(F)cccc3Br)CC2)n1 ZINC000475222121 864600104 /nfs/dbraw/zinc/60/01/04/864600104.db2.gz ASPXQEDJLOSMDE-UHFFFAOYSA-N 1 1 383.221 3.530 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475306953 864746810 /nfs/dbraw/zinc/74/68/10/864746810.db2.gz WUCMFCKRTWNLRV-QFBILLFUSA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000173612167 864900850 /nfs/dbraw/zinc/90/08/50/864900850.db2.gz JYGQVYMMVHGZEU-AWEZNQCLSA-N 1 1 375.856 3.889 20 5 GHBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC(F)F ZINC000480590408 864924099 /nfs/dbraw/zinc/92/40/99/864924099.db2.gz PWTRYWRUPCLOSK-IYBDPMFKSA-N 1 1 389.402 3.764 20 5 GHBDMO COc1ccc([C@H]2[C@@H](COC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC[N@H+]2C)cc1 ZINC000735906341 865046296 /nfs/dbraw/zinc/04/62/96/865046296.db2.gz XPERLPSMVHUBJG-XLIONFOSSA-N 1 1 384.432 3.762 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC[N@H+]2C)cc1 ZINC000735906337 865046695 /nfs/dbraw/zinc/04/66/95/865046695.db2.gz XPERLPSMVHUBJG-FXAWDEMLSA-N 1 1 384.432 3.762 20 5 GHBDMO CC[C@@](C)([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000173944083 865243656 /nfs/dbraw/zinc/24/36/56/865243656.db2.gz ZYUYPKBUPKDPKW-MRXNPFEDSA-N 1 1 382.873 3.867 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4cc5ccccc5o4)CC3)nc2c1 ZINC000481182693 865946166 /nfs/dbraw/zinc/94/61/66/865946166.db2.gz PYAKAQSNWJCGQS-UHFFFAOYSA-N 1 1 391.431 3.930 20 5 GHBDMO C[C@@H](OC[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000153094581 881928271 /nfs/dbraw/zinc/92/82/71/881928271.db2.gz LSVJMVQSHKWGDF-RDTXWAMCSA-N 1 1 390.867 3.745 20 5 GHBDMO C[C@@H](OC[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000153094581 881928280 /nfs/dbraw/zinc/92/82/80/881928280.db2.gz LSVJMVQSHKWGDF-RDTXWAMCSA-N 1 1 390.867 3.745 20 5 GHBDMO COc1ccc([C@H]2[C@H](COC(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000741122509 866247578 /nfs/dbraw/zinc/24/75/78/866247578.db2.gz CJKJXAHXLOTFLU-LIRRHRJNSA-N 1 1 388.395 3.592 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000475553692 866262741 /nfs/dbraw/zinc/26/27/41/866262741.db2.gz PIKKOQCPYYLIGE-GOSISDBHSA-N 1 1 384.432 3.792 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000475560519 866286845 /nfs/dbraw/zinc/28/68/45/866286845.db2.gz UVUWQOVUMQEDKZ-MRXNPFEDSA-N 1 1 382.464 3.780 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456329701 866391544 /nfs/dbraw/zinc/39/15/44/866391544.db2.gz LONUAOQQJBJXRF-GOOCMWNKSA-N 1 1 377.510 3.842 20 5 GHBDMO C[C@@H]1C[NH+](Cc2cccc(Nc3ncc([N+](=O)[O-])cc3Cl)c2)C[C@@H](C)O1 ZINC000609964479 866403564 /nfs/dbraw/zinc/40/35/64/866403564.db2.gz LVFREIIHVORWMG-CHWSQXEVSA-N 1 1 376.844 3.996 20 5 GHBDMO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc([S@](C)=O)cc1 ZINC000543908429 866905659 /nfs/dbraw/zinc/90/56/59/866905659.db2.gz HTPUMCNZNJXOHE-CEXHIMGSSA-N 1 1 385.445 3.838 20 5 GHBDMO Cc1ccc(-c2cnc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000440493405 866933205 /nfs/dbraw/zinc/93/32/05/866933205.db2.gz WOQCTNJGVSQNEB-INIZCTEOSA-N 1 1 379.420 3.640 20 5 GHBDMO Cc1ccc(-c2cnc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000440493405 866933218 /nfs/dbraw/zinc/93/32/18/866933218.db2.gz WOQCTNJGVSQNEB-INIZCTEOSA-N 1 1 379.420 3.640 20 5 GHBDMO COc1cccc(C[N@H+](CC(C)C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000742146364 867081316 /nfs/dbraw/zinc/08/13/16/867081316.db2.gz BNSCFGPLJSTNPU-UHFFFAOYSA-N 1 1 395.463 3.978 20 5 GHBDMO COc1cccc(C[N@@H+](CC(C)C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000742146364 867081325 /nfs/dbraw/zinc/08/13/25/867081325.db2.gz BNSCFGPLJSTNPU-UHFFFAOYSA-N 1 1 395.463 3.978 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000553275366 867085667 /nfs/dbraw/zinc/08/56/67/867085667.db2.gz DMFLFTVBVKQTEN-HNNXBMFYSA-N 1 1 398.463 3.763 20 5 GHBDMO C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742197362 867128143 /nfs/dbraw/zinc/12/81/43/867128143.db2.gz RDLNYTYFFHUYKW-ZDUSSCGKSA-N 1 1 389.839 3.817 20 5 GHBDMO C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742197362 867128148 /nfs/dbraw/zinc/12/81/48/867128148.db2.gz RDLNYTYFFHUYKW-ZDUSSCGKSA-N 1 1 389.839 3.817 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)nc2c1 ZINC000553333609 867199544 /nfs/dbraw/zinc/19/95/44/867199544.db2.gz DDRWTZGXJUMJBG-OAQYLSRUSA-N 1 1 377.448 3.574 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000742393930 867258559 /nfs/dbraw/zinc/25/85/59/867258559.db2.gz KPQPDIKILRMXFT-HNNXBMFYSA-N 1 1 376.457 3.618 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534966142 867841431 /nfs/dbraw/zinc/84/14/31/867841431.db2.gz FKMPUFKMYZMXCG-ZBFHGGJFSA-N 1 1 378.432 3.641 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553889701 868393268 /nfs/dbraw/zinc/39/32/68/868393268.db2.gz MBQGNRXAHLPGTK-QGZVFWFLSA-N 1 1 390.528 3.679 20 5 GHBDMO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1)N1CCc2ccccc21 ZINC000491238212 868612169 /nfs/dbraw/zinc/61/21/69/868612169.db2.gz GOXVQBRJEAASID-UHFFFAOYSA-N 1 1 383.423 3.535 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000524201455 868696530 /nfs/dbraw/zinc/69/65/30/868696530.db2.gz NCMRWTGDFNGGHA-HOCLYGCPSA-N 1 1 378.432 3.641 20 5 GHBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000744407913 868817016 /nfs/dbraw/zinc/81/70/16/868817016.db2.gz LFQVAVQVTJNSNS-UHFFFAOYSA-N 1 1 399.495 3.581 20 5 GHBDMO COc1cc(C[N@H+]2CCS[C@@H](C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000190689247 882243728 /nfs/dbraw/zinc/24/37/28/882243728.db2.gz SRRFFQJUIMMPOJ-NSHDSACASA-N 1 1 394.415 3.872 20 5 GHBDMO COc1cc(CN2CC[N@@H+](C)CC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000537636933 882251129 /nfs/dbraw/zinc/25/11/29/882251129.db2.gz REPBQZNLFIETDN-QGZVFWFLSA-N 1 1 399.491 3.708 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000440909632 869219216 /nfs/dbraw/zinc/21/92/16/869219216.db2.gz AXCOWNHYCRJWNZ-PBHICJAKSA-N 1 1 380.448 3.693 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539528028 869289141 /nfs/dbraw/zinc/28/91/41/869289141.db2.gz JQFCWGILFKWUEL-HXUWFJFHSA-N 1 1 385.512 3.595 20 5 GHBDMO CC(C)CN1CCCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539528028 869289160 /nfs/dbraw/zinc/28/91/60/869289160.db2.gz JQFCWGILFKWUEL-HXUWFJFHSA-N 1 1 385.512 3.595 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncc(-c4ccccc4)s3)C2)nc1 ZINC000122274584 869383845 /nfs/dbraw/zinc/38/38/45/869383845.db2.gz JJQIBOBLDRAOLA-HNNXBMFYSA-N 1 1 381.461 3.800 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)s3)C2)nc1 ZINC000122274584 869383855 /nfs/dbraw/zinc/38/38/55/869383855.db2.gz JJQIBOBLDRAOLA-HNNXBMFYSA-N 1 1 381.461 3.800 20 5 GHBDMO C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000524684447 869421492 /nfs/dbraw/zinc/42/14/92/869421492.db2.gz KSGHNWPLMWOTSK-OXJNMPFZSA-N 1 1 388.512 4.000 20 5 GHBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000428436274 869656524 /nfs/dbraw/zinc/65/65/24/869656524.db2.gz FOGGHSAMWMISOI-OAQYLSRUSA-N 1 1 386.448 3.529 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c([N+](=O)[O-])cc1OC ZINC000793617721 882334841 /nfs/dbraw/zinc/33/48/41/882334841.db2.gz RWCNXZMWFYEGQR-CABCVRRESA-N 1 1 375.252 3.628 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c([N+](=O)[O-])cc1OC ZINC000793617721 882334857 /nfs/dbraw/zinc/33/48/57/882334857.db2.gz RWCNXZMWFYEGQR-CABCVRRESA-N 1 1 375.252 3.628 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnn(-c4ccc(Cl)cc4)c3)nc2c1 ZINC000446831077 870498917 /nfs/dbraw/zinc/49/89/17/870498917.db2.gz ACFABNFDWVIMTO-UHFFFAOYSA-N 1 1 382.811 3.600 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(CNC3CC[NH+](Cc4ccccc4Cl)CC3)nc2c1 ZINC000446851277 870537094 /nfs/dbraw/zinc/53/70/94/870537094.db2.gz BUYCDHXKIMNXTM-UHFFFAOYSA-N 1 1 399.882 3.879 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000462960363 870579915 /nfs/dbraw/zinc/57/99/15/870579915.db2.gz ZYRXJSWKQIWGBY-QGZVFWFLSA-N 1 1 381.476 3.994 20 5 GHBDMO COc1ccc(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001168992561 871073237 /nfs/dbraw/zinc/07/32/37/871073237.db2.gz FTVPGGYHRAKDRA-IAGOWNOFSA-N 1 1 383.492 3.850 20 5 GHBDMO CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169046313 871127999 /nfs/dbraw/zinc/12/79/99/871127999.db2.gz KLGMXARKKMKGDQ-KBXCAEBGSA-N 1 1 375.469 3.837 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)COc1ccccc1Cl)C1CC1 ZINC000441232732 871234799 /nfs/dbraw/zinc/23/47/99/871234799.db2.gz LUBWAEJNHLLSMA-MRXNPFEDSA-N 1 1 376.840 3.653 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)COc1ccccc1Cl)C1CC1 ZINC000441232732 871234818 /nfs/dbraw/zinc/23/48/18/871234818.db2.gz LUBWAEJNHLLSMA-MRXNPFEDSA-N 1 1 376.840 3.653 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000766594939 871248295 /nfs/dbraw/zinc/24/82/95/871248295.db2.gz PEUXZTABOHZELD-UONOGXRCSA-N 1 1 389.402 3.608 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000766594939 871248313 /nfs/dbraw/zinc/24/83/13/871248313.db2.gz PEUXZTABOHZELD-UONOGXRCSA-N 1 1 389.402 3.608 20 5 GHBDMO CCC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1F ZINC000540424875 871251721 /nfs/dbraw/zinc/25/17/21/871251721.db2.gz HGRASCFKQZOJFV-SFHVURJKSA-N 1 1 389.402 3.893 20 5 GHBDMO O=C1[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccccc1F ZINC001194466922 871707160 /nfs/dbraw/zinc/70/71/60/871707160.db2.gz MAYAYRJSUXRRMJ-JXFKEZNVSA-N 1 1 383.423 3.719 20 5 GHBDMO O=C1[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccccc1F ZINC001194466922 871707171 /nfs/dbraw/zinc/70/71/71/871707171.db2.gz MAYAYRJSUXRRMJ-JXFKEZNVSA-N 1 1 383.423 3.719 20 5 GHBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463432387 871729747 /nfs/dbraw/zinc/72/97/47/871729747.db2.gz HMDWBSPZYPNXGP-ZBFHGGJFSA-N 1 1 385.386 3.537 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463432387 871729760 /nfs/dbraw/zinc/72/97/60/871729760.db2.gz HMDWBSPZYPNXGP-ZBFHGGJFSA-N 1 1 385.386 3.537 20 5 GHBDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC001169675458 871778664 /nfs/dbraw/zinc/77/86/64/871778664.db2.gz ITWSZKAZGOEEDK-MRXNPFEDSA-N 1 1 387.455 3.839 20 5 GHBDMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC001169675458 871778679 /nfs/dbraw/zinc/77/86/79/871778679.db2.gz ITWSZKAZGOEEDK-MRXNPFEDSA-N 1 1 387.455 3.839 20 5 GHBDMO COc1cc(C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000766798190 871795807 /nfs/dbraw/zinc/79/58/07/871795807.db2.gz ZQWKHJLJYJHKMH-UHFFFAOYSA-N 1 1 399.463 3.725 20 5 GHBDMO COc1cc(C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000766798190 871795824 /nfs/dbraw/zinc/79/58/24/871795824.db2.gz ZQWKHJLJYJHKMH-UHFFFAOYSA-N 1 1 399.463 3.725 20 5 GHBDMO C[N@H+](CCN1CCCC1=O)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000093320386 872078734 /nfs/dbraw/zinc/07/87/34/872078734.db2.gz ULOGJGCLJPSZAF-UHFFFAOYSA-N 1 1 387.411 3.580 20 5 GHBDMO C[N@@H+](CCN1CCCC1=O)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000093320386 872078753 /nfs/dbraw/zinc/07/87/53/872078753.db2.gz ULOGJGCLJPSZAF-UHFFFAOYSA-N 1 1 387.411 3.580 20 5 GHBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000552223165 872242197 /nfs/dbraw/zinc/24/21/97/872242197.db2.gz AEEBMOGDZUIBFR-OXJNMPFZSA-N 1 1 379.464 3.532 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001195384849 872381954 /nfs/dbraw/zinc/38/19/54/872381954.db2.gz GPUWELVOGPZNJI-INIZCTEOSA-N 1 1 378.469 3.950 20 5 GHBDMO Cc1cccc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000552334675 872463741 /nfs/dbraw/zinc/46/37/41/872463741.db2.gz UOEGMMVKULRRKM-JOCHJYFZSA-N 1 1 379.460 3.641 20 5 GHBDMO CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C(N)=O)cc3[N+](=O)[O-])oc21 ZINC000182656307 872633565 /nfs/dbraw/zinc/63/35/65/872633565.db2.gz XZWSZKOVKMJCGF-LBPRGKRZSA-N 1 1 383.404 3.689 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000619669538 872855738 /nfs/dbraw/zinc/85/57/38/872855738.db2.gz BEJQJXMAVPTSDJ-MRXNPFEDSA-N 1 1 397.500 3.960 20 5 GHBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000478414935 872970461 /nfs/dbraw/zinc/97/04/61/872970461.db2.gz GCAUFBPOZRKXOV-ZDUSSCGKSA-N 1 1 386.374 3.520 20 5 GHBDMO CC[N@H+](CC(=O)NC)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000768300642 873218519 /nfs/dbraw/zinc/21/85/19/873218519.db2.gz AZFWPENRXLTOBP-UHFFFAOYSA-N 1 1 377.828 3.608 20 5 GHBDMO CC[N@@H+](CC(=O)NC)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000768300642 873218528 /nfs/dbraw/zinc/21/85/28/873218528.db2.gz AZFWPENRXLTOBP-UHFFFAOYSA-N 1 1 377.828 3.608 20 5 GHBDMO C[NH+]1CCC2(CCN(Cc3cc([N+](=O)[O-])ccc3Br)CC2)CC1 ZINC001196798711 873367261 /nfs/dbraw/zinc/36/72/61/873367261.db2.gz MFRUZMCIMDJPTH-UHFFFAOYSA-N 1 1 382.302 3.665 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000541322676 873368015 /nfs/dbraw/zinc/36/80/15/873368015.db2.gz OZZWGVXVQAQBMC-IFXJQAMLSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000541322676 873368023 /nfs/dbraw/zinc/36/80/23/873368023.db2.gz OZZWGVXVQAQBMC-IFXJQAMLSA-N 1 1 383.448 3.933 20 5 GHBDMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001197077482 873583555 /nfs/dbraw/zinc/58/35/55/873583555.db2.gz LPIBDCKGSPYQMR-FQEVSTJZSA-N 1 1 389.402 3.569 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CCN(C)CC(F)(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545218 873806076 /nfs/dbraw/zinc/80/60/76/873806076.db2.gz DMDPYRIYVOTAQJ-KRWDZBQOSA-N 1 1 385.386 3.923 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858046715 882781042 /nfs/dbraw/zinc/78/10/42/882781042.db2.gz PUKIYZXFPWWRBT-FQEVSTJZSA-N 1 1 383.448 3.789 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000769426116 874045452 /nfs/dbraw/zinc/04/54/52/874045452.db2.gz MOVGGLCYZWLUHA-UHFFFAOYSA-N 1 1 389.496 3.990 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001197863946 874102746 /nfs/dbraw/zinc/10/27/46/874102746.db2.gz JOBLSYDFOSCTJO-LSDHHAIUSA-N 1 1 388.493 3.641 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001197863946 874102751 /nfs/dbraw/zinc/10/27/51/874102751.db2.gz JOBLSYDFOSCTJO-LSDHHAIUSA-N 1 1 388.493 3.641 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001197863943 874102927 /nfs/dbraw/zinc/10/29/27/874102927.db2.gz JOBLSYDFOSCTJO-CABCVRRESA-N 1 1 388.493 3.641 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001197863943 874102933 /nfs/dbraw/zinc/10/29/33/874102933.db2.gz JOBLSYDFOSCTJO-CABCVRRESA-N 1 1 388.493 3.641 20 5 GHBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769997440 874391927 /nfs/dbraw/zinc/39/19/27/874391927.db2.gz KDXRJTGMZVXBMU-INIZCTEOSA-N 1 1 388.855 3.986 20 5 GHBDMO CC(C)[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1 ZINC000770037463 874417243 /nfs/dbraw/zinc/41/72/43/874417243.db2.gz AJINHVBQUWETMD-INIZCTEOSA-N 1 1 378.856 3.899 20 5 GHBDMO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001198442057 874429495 /nfs/dbraw/zinc/42/94/95/874429495.db2.gz VYGHCUJBEVDQQW-UHFFFAOYSA-N 1 1 387.274 3.911 20 5 GHBDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001198442057 874429499 /nfs/dbraw/zinc/42/94/99/874429499.db2.gz VYGHCUJBEVDQQW-UHFFFAOYSA-N 1 1 387.274 3.911 20 5 GHBDMO COc1ccc([C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000449220689 874610538 /nfs/dbraw/zinc/61/05/38/874610538.db2.gz QTHCRWPDPIPVON-QRWLVFNGSA-N 1 1 380.448 3.647 20 5 GHBDMO C[C@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccco2)C1 ZINC000464857462 874654847 /nfs/dbraw/zinc/65/48/47/874654847.db2.gz NTNQLYMRCRDPCN-GOEBONIOSA-N 1 1 385.420 3.959 20 5 GHBDMO CCc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000746512705 875441511 /nfs/dbraw/zinc/44/15/11/875441511.db2.gz WFQUBLIUIRVTHG-ICSRJNTNSA-N 1 1 379.460 3.914 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000550968674 882936624 /nfs/dbraw/zinc/93/66/24/882936624.db2.gz CHFDEJFZWVLQCL-UHFFFAOYSA-N 1 1 385.386 3.704 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000151731635 875876562 /nfs/dbraw/zinc/87/65/62/875876562.db2.gz LHNCAAVMTQRATC-QAPCUYQASA-N 1 1 385.439 3.825 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000772381855 875931912 /nfs/dbraw/zinc/93/19/12/875931912.db2.gz NOFADUACVRJTPT-AWEZNQCLSA-N 1 1 385.317 3.801 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000772381855 875931920 /nfs/dbraw/zinc/93/19/20/875931920.db2.gz NOFADUACVRJTPT-AWEZNQCLSA-N 1 1 385.317 3.801 20 5 GHBDMO C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312653379 875981350 /nfs/dbraw/zinc/98/13/50/875981350.db2.gz GBIABEFHZWDLIE-YOEHRIQHSA-N 1 1 387.867 3.889 20 5 GHBDMO CCOc1cc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000776277981 876120633 /nfs/dbraw/zinc/12/06/33/876120633.db2.gz RWXRKPPCPGOHFM-MRXNPFEDSA-N 1 1 396.390 3.760 20 5 GHBDMO Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)o2)c1 ZINC000785859009 876309269 /nfs/dbraw/zinc/30/92/69/876309269.db2.gz YVEJGGLEODLQCS-CQSZACIVSA-N 1 1 382.424 3.548 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC001170061795 876863382 /nfs/dbraw/zinc/86/33/82/876863382.db2.gz CFGRUPBVAVXTOR-SFHVURJKSA-N 1 1 391.468 3.627 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC001170061795 876863386 /nfs/dbraw/zinc/86/33/86/876863386.db2.gz CFGRUPBVAVXTOR-SFHVURJKSA-N 1 1 391.468 3.627 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000492488971 876959212 /nfs/dbraw/zinc/95/92/12/876959212.db2.gz WBTJMJVKZBZEKE-HNNXBMFYSA-N 1 1 389.418 3.700 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610041855 877323092 /nfs/dbraw/zinc/32/30/92/877323092.db2.gz GKRBDJLCAFKGJR-APWZRJJASA-N 1 1 381.476 3.824 20 5 GHBDMO COc1ccccc1[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000477310089 877407428 /nfs/dbraw/zinc/40/74/28/877407428.db2.gz RQQDMQCLRHPKAW-MRXNPFEDSA-N 1 1 391.855 3.598 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000195684785 877528974 /nfs/dbraw/zinc/52/89/74/877528974.db2.gz QAPTXMFNNHEEDW-INIZCTEOSA-N 1 1 396.491 3.941 20 5 GHBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)C(N)=O ZINC000451216527 877594355 /nfs/dbraw/zinc/59/43/55/877594355.db2.gz MDXJPJXARFXURF-GFCCVEGCSA-N 1 1 387.402 3.727 20 5 GHBDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000179630046 877759808 /nfs/dbraw/zinc/75/98/08/877759808.db2.gz JTFGFMVIVZOOSY-ZBEGNZNMSA-N 1 1 393.390 3.950 20 5 GHBDMO Cc1c(C[N@@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] ZINC000787994644 877763616 /nfs/dbraw/zinc/76/36/16/877763616.db2.gz JJVOZAMEXYPJJM-HXUWFJFHSA-N 1 1 375.469 3.879 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] ZINC000787994644 877763623 /nfs/dbraw/zinc/76/36/23/877763623.db2.gz JJVOZAMEXYPJJM-HXUWFJFHSA-N 1 1 375.469 3.879 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451334253 877821085 /nfs/dbraw/zinc/82/10/85/877821085.db2.gz SJNZDXTYFIKMED-GOSISDBHSA-N 1 1 391.855 3.551 20 5 GHBDMO COc1c(C)cnc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1C ZINC000451371340 877891759 /nfs/dbraw/zinc/89/17/59/877891759.db2.gz DCUTUQJTDUSCSA-UHFFFAOYSA-N 1 1 396.447 3.945 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@](O)(C(F)(F)F)CC3)o2)c1 ZINC000285426439 912286035 /nfs/dbraw/zinc/28/60/35/912286035.db2.gz DXJMKIUCDKCEAU-KRWDZBQOSA-N 1 1 399.369 3.572 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@]2(C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000530495941 877931123 /nfs/dbraw/zinc/93/11/23/877931123.db2.gz ZBSLPQCOHMONIQ-OAQYLSRUSA-N 1 1 386.448 3.529 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000852076989 878065249 /nfs/dbraw/zinc/06/52/49/878065249.db2.gz MYJAMWKUDOVJKP-GDBMZVCRSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000852076989 878065269 /nfs/dbraw/zinc/06/52/69/878065269.db2.gz MYJAMWKUDOVJKP-GDBMZVCRSA-N 1 1 379.432 3.565 20 5 GHBDMO COc1ccc2c(c1)C[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000451641056 878283001 /nfs/dbraw/zinc/28/30/01/878283001.db2.gz GLHCWYWSDNVCNT-UHFFFAOYSA-N 1 1 395.415 3.696 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000538234714 879094357 /nfs/dbraw/zinc/09/43/57/879094357.db2.gz GAGYAHTZUPOFDI-HUUCEWRRSA-N 1 1 379.526 3.946 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000069016337 879447187 /nfs/dbraw/zinc/44/71/87/879447187.db2.gz BDGFIMZJDNCNKY-OAHLLOKOSA-N 1 1 388.493 3.998 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000069016337 879447190 /nfs/dbraw/zinc/44/71/90/879447190.db2.gz BDGFIMZJDNCNKY-OAHLLOKOSA-N 1 1 388.493 3.998 20 5 GHBDMO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000130863543 879452488 /nfs/dbraw/zinc/45/24/88/879452488.db2.gz CPDNLHJEDBKBBX-NRRJATNASA-N 1 1 380.441 3.725 20 5 GHBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000130863543 879452493 /nfs/dbraw/zinc/45/24/93/879452493.db2.gz CPDNLHJEDBKBBX-NRRJATNASA-N 1 1 380.441 3.725 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494018480 879829865 /nfs/dbraw/zinc/82/98/65/879829865.db2.gz PKZPUUJLPBMVQR-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790540373 879832504 /nfs/dbraw/zinc/83/25/04/879832504.db2.gz WNUWWOVYHDGPMJ-CYBMUJFWSA-N 1 1 385.867 3.558 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1F ZINC000854483870 879845159 /nfs/dbraw/zinc/84/51/59/879845159.db2.gz JYMKHJYBTCYEJG-DZGCQCFKSA-N 1 1 389.402 3.574 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000531633269 880260984 /nfs/dbraw/zinc/26/09/84/880260984.db2.gz UXCZNPHBOYHODP-UHFFFAOYSA-N 1 1 394.475 3.651 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccc3ccccc3c1)CC2 ZINC000532038509 880958488 /nfs/dbraw/zinc/95/84/88/880958488.db2.gz LJYPLRUCZCYOGX-NRFANRHFSA-N 1 1 378.428 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccc3ccccc3c1)CC2 ZINC000532038509 880958494 /nfs/dbraw/zinc/95/84/94/880958494.db2.gz LJYPLRUCZCYOGX-NRFANRHFSA-N 1 1 378.428 3.546 20 5 GHBDMO O=C(CC[N@@H+]1CCc2cc(Cl)ccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000792307546 881035712 /nfs/dbraw/zinc/03/57/12/881035712.db2.gz NXLFBUJZHBIYKO-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO O=C(CC[N@H+]1CCc2cc(Cl)ccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000792307546 881035731 /nfs/dbraw/zinc/03/57/31/881035731.db2.gz NXLFBUJZHBIYKO-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000520377649 881134181 /nfs/dbraw/zinc/13/41/81/881134181.db2.gz ITITYHUWMZIWRT-MRXNPFEDSA-N 1 1 376.501 3.637 20 5 GHBDMO CCCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC001170292332 881308814 /nfs/dbraw/zinc/30/88/14/881308814.db2.gz ZOUBTYFDQQLJDJ-SJLPKXTDSA-N 1 1 377.485 3.901 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C/C(C)=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000494235358 881312312 /nfs/dbraw/zinc/31/23/12/881312312.db2.gz VZIAZIITGHOHDM-STTHAQSSSA-N 1 1 383.448 3.966 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C/C(C)=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000494235358 881312355 /nfs/dbraw/zinc/31/23/55/881312355.db2.gz VZIAZIITGHOHDM-STTHAQSSSA-N 1 1 383.448 3.966 20 5 GHBDMO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170296674 881317734 /nfs/dbraw/zinc/31/77/34/881317734.db2.gz HMWATFKTFJGKCH-IEBWSBKVSA-N 1 1 383.492 3.646 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000174964117 883125900 /nfs/dbraw/zinc/12/59/00/883125900.db2.gz RCEXPOLCGBKGNS-RGFVMQALSA-N 1 1 379.460 3.589 20 5 GHBDMO CC(C)[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350002 883162336 /nfs/dbraw/zinc/16/23/36/883162336.db2.gz HMYZUPBSUSJKBN-UHFFFAOYSA-N 1 1 394.468 3.808 20 5 GHBDMO CC(C)[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350002 883162345 /nfs/dbraw/zinc/16/23/45/883162345.db2.gz HMYZUPBSUSJKBN-UHFFFAOYSA-N 1 1 394.468 3.808 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000609494304 883257856 /nfs/dbraw/zinc/25/78/56/883257856.db2.gz FLEXHOGTQFVGFU-IBGZPJMESA-N 1 1 397.479 3.817 20 5 GHBDMO COC(=O)CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000153183329 883419518 /nfs/dbraw/zinc/41/95/18/883419518.db2.gz GSSFJXUADPFIJS-UHFFFAOYSA-N 1 1 383.404 3.691 20 5 GHBDMO COC(=O)CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000153183329 883419524 /nfs/dbraw/zinc/41/95/24/883419524.db2.gz GSSFJXUADPFIJS-UHFFFAOYSA-N 1 1 383.404 3.691 20 5 GHBDMO COc1ccc(C)cc1C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609704775 883562783 /nfs/dbraw/zinc/56/27/83/883562783.db2.gz JISMERFNHBATIV-UHFFFAOYSA-N 1 1 389.883 3.883 20 5 GHBDMO O=C(CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1)NC1CCCC1 ZINC000609705242 883562819 /nfs/dbraw/zinc/56/28/19/883562819.db2.gz KOJDJEWETZIDDB-UHFFFAOYSA-N 1 1 379.888 3.909 20 5 GHBDMO CC(C)(C)OC(=O)N1CC(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000859201787 883656607 /nfs/dbraw/zinc/65/66/07/883656607.db2.gz NTVHNNYDMDIXFD-UHFFFAOYSA-N 1 1 375.469 3.816 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000795749949 912756014 /nfs/dbraw/zinc/75/60/14/912756014.db2.gz AONIZUKTTROHAJ-UHFFFAOYSA-N 1 1 390.465 3.876 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@@H]4C[C@@H](c5ccccc5)[C@@H]4C3)n2)c1 ZINC000859931246 884181849 /nfs/dbraw/zinc/18/18/49/884181849.db2.gz NLIPPCVMTLCMFX-YTQUADARSA-N 1 1 376.416 3.880 20 5 GHBDMO COc1cccc([C@@H](O)C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000860141871 884361372 /nfs/dbraw/zinc/36/13/72/884361372.db2.gz NYOOKFCAANHUDG-NRFANRHFSA-N 1 1 397.431 3.690 20 5 GHBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)C2)C1 ZINC000897853100 884491783 /nfs/dbraw/zinc/49/17/83/884491783.db2.gz QQHYYPJWJMZWQA-INIZCTEOSA-N 1 1 390.242 3.599 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000495124859 884602617 /nfs/dbraw/zinc/60/26/17/884602617.db2.gz XWPNNXMSGMGIMV-AEFFLSMTSA-N 1 1 397.475 3.634 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c2cc([N+](=O)[O-])ccc12 ZINC000774704332 912936119 /nfs/dbraw/zinc/93/61/19/912936119.db2.gz NNJHZCKWWAYQFM-NRFANRHFSA-N 1 1 378.432 3.732 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c2cc([N+](=O)[O-])ccc12 ZINC000774704332 912936137 /nfs/dbraw/zinc/93/61/37/912936137.db2.gz NNJHZCKWWAYQFM-NRFANRHFSA-N 1 1 378.432 3.732 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000532484841 885813776 /nfs/dbraw/zinc/81/37/76/885813776.db2.gz PFXVIWKIVZCXPS-FOIQADDNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000532484841 885813780 /nfs/dbraw/zinc/81/37/80/885813780.db2.gz PFXVIWKIVZCXPS-FOIQADDNSA-N 1 1 383.448 3.694 20 5 GHBDMO COc1c(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476457953 885892405 /nfs/dbraw/zinc/89/24/05/885892405.db2.gz IXPBVKXCZUGYHD-WMZOPIPTSA-N 1 1 397.475 3.634 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000495489113 885917795 /nfs/dbraw/zinc/91/77/95/885917795.db2.gz BWTRCNSAPSVJQZ-GDBMZVCRSA-N 1 1 377.510 3.652 20 5 GHBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747443604 885934525 /nfs/dbraw/zinc/93/45/25/885934525.db2.gz PUZBTORXDBROLK-JEZWAEDTSA-N 1 1 385.489 3.698 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454128729 886146178 /nfs/dbraw/zinc/14/61/78/886146178.db2.gz CSJJHRWLQIRCEG-MRXNPFEDSA-N 1 1 398.463 3.589 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454141100 886185203 /nfs/dbraw/zinc/18/52/03/886185203.db2.gz GOJIWZJARSUZLB-MRXNPFEDSA-N 1 1 382.464 3.889 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000556870728 886421124 /nfs/dbraw/zinc/42/11/24/886421124.db2.gz HEUIOMIJZSBBCK-FUHIMQAGSA-N 1 1 399.539 3.764 20 5 GHBDMO CN(C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)C(=O)OC(C)(C)C ZINC000747529550 886803858 /nfs/dbraw/zinc/80/38/58/886803858.db2.gz VRKOTSZJXYZHJQ-AWEZNQCLSA-N 1 1 381.448 3.813 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)C(=O)OC(C)(C)C ZINC000747529550 886803877 /nfs/dbraw/zinc/80/38/77/886803877.db2.gz VRKOTSZJXYZHJQ-AWEZNQCLSA-N 1 1 381.448 3.813 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1F ZINC000808927966 886946162 /nfs/dbraw/zinc/94/61/62/886946162.db2.gz CSMLRMNMHYXPSA-JOCHJYFZSA-N 1 1 397.450 3.781 20 5 GHBDMO COCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000487986349 887162108 /nfs/dbraw/zinc/16/21/08/887162108.db2.gz HOMAFSPIUXFVNK-OCCSQVGLSA-N 1 1 388.411 3.842 20 5 GHBDMO COCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000487986350 887166602 /nfs/dbraw/zinc/16/66/02/887166602.db2.gz HOMAFSPIUXFVNK-TZMCWYRMSA-N 1 1 388.411 3.842 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000532661191 887289339 /nfs/dbraw/zinc/28/93/39/887289339.db2.gz GVSLPYVUEZEXHC-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000532661191 887289344 /nfs/dbraw/zinc/28/93/44/887289344.db2.gz GVSLPYVUEZEXHC-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000794598325 887663398 /nfs/dbraw/zinc/66/33/98/887663398.db2.gz SDOFFJDHQUXEQB-UHFFFAOYSA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000794598325 887663403 /nfs/dbraw/zinc/66/34/03/887663403.db2.gz SDOFFJDHQUXEQB-UHFFFAOYSA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000794598042 887664789 /nfs/dbraw/zinc/66/47/89/887664789.db2.gz KBGSQORPXYIIJV-UHFFFAOYSA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000794598042 887664796 /nfs/dbraw/zinc/66/47/96/887664796.db2.gz KBGSQORPXYIIJV-UHFFFAOYSA-N 1 1 379.432 3.709 20 5 GHBDMO C[N@H+](C[C@H]1CCCO[C@H]1c1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794623689 887688918 /nfs/dbraw/zinc/68/89/18/887688918.db2.gz ORZBVVGVIWXFPZ-UZLBHIALSA-N 1 1 397.431 3.560 20 5 GHBDMO C[N@@H+](C[C@H]1CCCO[C@H]1c1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794623689 887688927 /nfs/dbraw/zinc/68/89/27/887688927.db2.gz ORZBVVGVIWXFPZ-UZLBHIALSA-N 1 1 397.431 3.560 20 5 GHBDMO Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000809689290 887707546 /nfs/dbraw/zinc/70/75/46/887707546.db2.gz WVXMAWAQTFODIE-UHFFFAOYSA-N 1 1 385.855 3.812 20 5 GHBDMO Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000809689290 887707559 /nfs/dbraw/zinc/70/75/59/887707559.db2.gz WVXMAWAQTFODIE-UHFFFAOYSA-N 1 1 385.855 3.812 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(COc4ccccc4)CC3)o2)cc1 ZINC000194006861 887929428 /nfs/dbraw/zinc/92/94/28/887929428.db2.gz OFTMGJWQSCXZEO-UHFFFAOYSA-N 1 1 394.431 3.936 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000272588243 887931358 /nfs/dbraw/zinc/93/13/58/887931358.db2.gz ZRVXYPPFVZAJKO-OXJNMPFZSA-N 1 1 378.432 3.574 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000809935571 887987601 /nfs/dbraw/zinc/98/76/01/887987601.db2.gz OHWOTLKYEGESBO-OAHLLOKOSA-N 1 1 388.295 3.588 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)[C@@H]1c1cccs1 ZINC000865558661 888443489 /nfs/dbraw/zinc/44/34/89/888443489.db2.gz NSEXXDCVITWLSS-KPZWWZAWSA-N 1 1 379.457 3.783 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000536636715 888484156 /nfs/dbraw/zinc/48/41/56/888484156.db2.gz FXOGULKFCASAOI-UHFFFAOYSA-N 1 1 377.460 3.708 20 5 GHBDMO COc1ccccc1[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nccn1C ZINC000866224645 888786464 /nfs/dbraw/zinc/78/64/64/888786464.db2.gz BPNQAEZVZJVRAN-XOBRGWDASA-N 1 1 398.438 3.786 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1C ZINC000488102695 888862761 /nfs/dbraw/zinc/86/27/61/888862761.db2.gz HGQANPLITXMNIK-UHFFFAOYSA-N 1 1 375.400 3.512 20 5 GHBDMO CCOC[C@H](C)[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000488133902 889161957 /nfs/dbraw/zinc/16/19/57/889161957.db2.gz YPXFFLMWNGIABO-SCLBCKFNSA-N 1 1 391.855 3.943 20 5 GHBDMO CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)Cc2ccccc21 ZINC000532956497 889419380 /nfs/dbraw/zinc/41/93/80/889419380.db2.gz UKBSLKTXQBBZTG-UHFFFAOYSA-N 1 1 378.432 3.744 20 5 GHBDMO O=C(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000811475882 889662563 /nfs/dbraw/zinc/66/25/63/889662563.db2.gz MBNQFVHEBJOTDV-UHFFFAOYSA-N 1 1 394.258 3.971 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@H](O)c3ccccc3C)CC2)c1 ZINC000811506510 889699512 /nfs/dbraw/zinc/69/95/12/889699512.db2.gz WDURBMDGZNTMSG-NRFANRHFSA-N 1 1 398.459 3.635 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000533142135 889858237 /nfs/dbraw/zinc/85/82/37/889858237.db2.gz HPVQECGNBMJASS-UHFFFAOYSA-N 1 1 380.448 3.717 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000054010820 889863403 /nfs/dbraw/zinc/86/34/03/889863403.db2.gz JGICICINZBUVTK-UHFFFAOYSA-N 1 1 379.420 3.919 20 5 GHBDMO CC(C)CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000533253562 890103121 /nfs/dbraw/zinc/10/31/21/890103121.db2.gz PWSSFBOKWVPEKC-UHFFFAOYSA-N 1 1 377.441 3.553 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000154143329 890111744 /nfs/dbraw/zinc/11/17/44/890111744.db2.gz APRUCSUZSMFMSD-MRXNPFEDSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000154143329 890111753 /nfs/dbraw/zinc/11/17/53/890111753.db2.gz APRUCSUZSMFMSD-MRXNPFEDSA-N 1 1 387.867 3.890 20 5 GHBDMO CC[N@H+]1CCCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000533264079 890162231 /nfs/dbraw/zinc/16/22/31/890162231.db2.gz XUUDJAXERUKHKZ-NRFANRHFSA-N 1 1 396.491 3.611 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000795098141 890176084 /nfs/dbraw/zinc/17/60/84/890176084.db2.gz CHIVJVKZEAYVJW-WMZOPIPTSA-N 1 1 375.469 3.735 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795106540 890297799 /nfs/dbraw/zinc/29/77/99/890297799.db2.gz XPQKCTWUUVAJTQ-INMHGKMJSA-N 1 1 375.469 3.987 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795106541 890298308 /nfs/dbraw/zinc/29/83/08/890298308.db2.gz XPQKCTWUUVAJTQ-VYDXJSESSA-N 1 1 375.469 3.987 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533343593 890330687 /nfs/dbraw/zinc/33/06/87/890330687.db2.gz IHWAJVHQBVEHLP-AWEZNQCLSA-N 1 1 391.431 3.587 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533343593 890330702 /nfs/dbraw/zinc/33/07/02/890330702.db2.gz IHWAJVHQBVEHLP-AWEZNQCLSA-N 1 1 391.431 3.587 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000533375331 890373055 /nfs/dbraw/zinc/37/30/55/890373055.db2.gz QKURDDQSKDQSED-MVJTYMMSSA-N 1 1 388.512 3.567 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+](CCc2ccc(Cl)cc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000533433856 890555390 /nfs/dbraw/zinc/55/53/90/890555390.db2.gz GJOKSKQIGZCRAF-UHFFFAOYSA-N 1 1 387.867 3.802 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812854207 891047952 /nfs/dbraw/zinc/04/79/52/891047952.db2.gz PUSTXQYDDJJVRD-HRAATJIYSA-N 1 1 385.464 3.676 20 5 GHBDMO Cc1ccnc2ccc(C(=O)O[C@H]3CC[N@H+](Cc4cccc([N+](=O)[O-])c4)C3)cc12 ZINC000813170637 891328643 /nfs/dbraw/zinc/32/86/43/891328643.db2.gz SGBNKJPBKQDTSX-IBGZPJMESA-N 1 1 391.427 3.883 20 5 GHBDMO Cc1ccnc2ccc(C(=O)O[C@H]3CC[N@@H+](Cc4cccc([N+](=O)[O-])c4)C3)cc12 ZINC000813170637 891328660 /nfs/dbraw/zinc/32/86/60/891328660.db2.gz SGBNKJPBKQDTSX-IBGZPJMESA-N 1 1 391.427 3.883 20 5 GHBDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000497406380 891521439 /nfs/dbraw/zinc/52/14/39/891521439.db2.gz FVPOOVNBKGLFBR-FQEVSTJZSA-N 1 1 385.420 3.591 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000533804812 893063013 /nfs/dbraw/zinc/06/30/13/893063013.db2.gz GRHVDIDNANDQPF-MRXNPFEDSA-N 1 1 388.512 3.563 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001134556123 893077187 /nfs/dbraw/zinc/07/71/87/893077187.db2.gz NIPGTAUZVYSPRE-MRXNPFEDSA-N 1 1 379.526 3.947 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000069084965 893132883 /nfs/dbraw/zinc/13/28/83/893132883.db2.gz UALPOYVQZQFTFH-KRWDZBQOSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000069084965 893132891 /nfs/dbraw/zinc/13/28/91/893132891.db2.gz UALPOYVQZQFTFH-KRWDZBQOSA-N 1 1 380.404 3.991 20 5 GHBDMO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000459478205 893588730 /nfs/dbraw/zinc/58/87/30/893588730.db2.gz KIYKXSRKADCAQL-AWEZNQCLSA-N 1 1 375.856 3.763 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000563633027 893995806 /nfs/dbraw/zinc/99/58/06/893995806.db2.gz XENSARYQGYZXIT-HXUWFJFHSA-N 1 1 381.476 3.854 20 5 GHBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459662736 894015531 /nfs/dbraw/zinc/01/55/31/894015531.db2.gz NRYIJDGJXYAYAR-INIZCTEOSA-N 1 1 388.386 3.655 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459778765 894180108 /nfs/dbraw/zinc/18/01/08/894180108.db2.gz ZLKZODFSJFUTBF-ROUUACIJSA-N 1 1 386.473 3.872 20 5 GHBDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878704375 894523776 /nfs/dbraw/zinc/52/37/76/894523776.db2.gz ZYWIAMYYEBBRFF-ZDUSSCGKSA-N 1 1 380.832 3.689 20 5 GHBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878704375 894523782 /nfs/dbraw/zinc/52/37/82/894523782.db2.gz ZYWIAMYYEBBRFF-ZDUSSCGKSA-N 1 1 380.832 3.689 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)o1 ZINC000878756699 894582674 /nfs/dbraw/zinc/58/26/74/894582674.db2.gz YKJAPCVXLCFRTJ-IUODEOHRSA-N 1 1 392.843 3.689 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)o1 ZINC000878756698 894583460 /nfs/dbraw/zinc/58/34/60/894583460.db2.gz YKJAPCVXLCFRTJ-DOMZBBRYSA-N 1 1 392.843 3.689 20 5 GHBDMO Cc1c(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000564676364 895174041 /nfs/dbraw/zinc/17/40/41/895174041.db2.gz ORWDDPIFLWWYKG-VQTJNVASSA-N 1 1 389.883 3.718 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@]4(CCSC4)C3)o2)c([N+](=O)[O-])c1 ZINC000564990079 895340343 /nfs/dbraw/zinc/34/03/43/895340343.db2.gz BDOJYPPAUWYELD-LJQANCHMSA-N 1 1 390.461 3.571 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCO[C@]4(CCSC4)C3)o2)c([N+](=O)[O-])c1 ZINC000564990079 895340355 /nfs/dbraw/zinc/34/03/55/895340355.db2.gz BDOJYPPAUWYELD-LJQANCHMSA-N 1 1 390.461 3.571 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000565297921 895514633 /nfs/dbraw/zinc/51/46/33/895514633.db2.gz RYOUKQUKBNEHFN-NSISKUIASA-N 1 1 389.496 3.757 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000565322043 895532938 /nfs/dbraw/zinc/53/29/38/895532938.db2.gz QTLPRTTWPSMBQE-OAHLLOKOSA-N 1 1 399.495 3.725 20 5 GHBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000566521427 896350960 /nfs/dbraw/zinc/35/09/60/896350960.db2.gz HFSKYSGKFLEVCQ-ZDUSSCGKSA-N 1 1 398.301 3.612 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000883288170 897449098 /nfs/dbraw/zinc/44/90/98/897449098.db2.gz UMAFSLKEHMGSAT-UHFFFAOYSA-N 1 1 391.269 3.642 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000132197043 897711219 /nfs/dbraw/zinc/71/12/19/897711219.db2.gz JRBUGQNEECYDRU-YJBOKZPZSA-N 1 1 385.439 3.859 20 5 GHBDMO C[N@@H+](CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC001136422570 897774921 /nfs/dbraw/zinc/77/49/21/897774921.db2.gz ZNGKLKCSJDFJDZ-UHFFFAOYSA-N 1 1 385.917 3.721 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001136465892 897977198 /nfs/dbraw/zinc/97/71/98/897977198.db2.gz YJJRUJQUEHAHQV-QUCCMNQESA-N 1 1 375.513 3.934 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1F ZINC000821786408 898073228 /nfs/dbraw/zinc/07/32/28/898073228.db2.gz ZMWRWHXAUKAJBR-OAHLLOKOSA-N 1 1 389.402 3.576 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001136660606 898818538 /nfs/dbraw/zinc/81/85/38/898818538.db2.gz WDMRAMVNSXXGPG-UHFFFAOYSA-N 1 1 387.524 3.987 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCCc1ccccc1 ZINC001202684849 899262163 /nfs/dbraw/zinc/26/21/63/899262163.db2.gz SYBWZPDQGCKIJF-MRXNPFEDSA-N 1 1 393.443 3.692 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000121488190 900038776 /nfs/dbraw/zinc/03/87/76/900038776.db2.gz VVDHJWXLMNCPKA-UHFFFAOYSA-N 1 1 387.484 3.589 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000843904958 900319398 /nfs/dbraw/zinc/31/93/98/900319398.db2.gz TUIMGEOQQVQALK-OAHLLOKOSA-N 1 1 385.439 3.636 20 5 GHBDMO COc1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000574846975 901034834 /nfs/dbraw/zinc/03/48/34/901034834.db2.gz MQQPZKQNWOTBFH-MJGOQNOKSA-N 1 1 399.466 3.696 20 5 GHBDMO COc1cccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1[N+](=O)[O-] ZINC000575937412 901493628 /nfs/dbraw/zinc/49/36/28/901493628.db2.gz IZFLGDGNVXRHPY-UHFFFAOYSA-N 1 1 390.465 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@@H]4CCCCC4(F)F)CC3)nc2c1 ZINC000576194797 901788534 /nfs/dbraw/zinc/78/85/34/901788534.db2.gz GXPGBORNXSSMOU-AWEZNQCLSA-N 1 1 393.438 3.809 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406642 901977024 /nfs/dbraw/zinc/97/70/24/901977024.db2.gz KXGBEYQIDYOBPZ-SFHVURJKSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406642 901977032 /nfs/dbraw/zinc/97/70/32/901977032.db2.gz KXGBEYQIDYOBPZ-SFHVURJKSA-N 1 1 380.404 3.991 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000846110404 902687432 /nfs/dbraw/zinc/68/74/32/902687432.db2.gz MKLGZZUNWLXCCK-ZFWWWQNUSA-N 1 1 383.279 3.981 20 5 GHBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000132379760 903247108 /nfs/dbraw/zinc/24/71/08/903247108.db2.gz VIJWHNLATHSNSB-QFBILLFUSA-N 1 1 397.475 3.729 20 5 GHBDMO COc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000132555060 903275215 /nfs/dbraw/zinc/27/52/15/903275215.db2.gz HIXBLWYLXCWIRY-APWZRJJASA-N 1 1 397.475 3.729 20 5 GHBDMO COc1cc(C[NH2+]Cc2conc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000601142042 903382995 /nfs/dbraw/zinc/38/29/95/903382995.db2.gz LNANESCYCXAPFQ-UHFFFAOYSA-N 1 1 383.404 3.769 20 5 GHBDMO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000579416945 904581305 /nfs/dbraw/zinc/58/13/05/904581305.db2.gz VGLUTKCHQDCNBO-LJQANCHMSA-N 1 1 381.476 3.935 20 5 GHBDMO C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000216397887 904686709 /nfs/dbraw/zinc/68/67/09/904686709.db2.gz VTPHGJWLDFHDAN-ZDUSSCGKSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1cccc(Cl)c1Cl)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000216397887 904686717 /nfs/dbraw/zinc/68/67/17/904686717.db2.gz VTPHGJWLDFHDAN-ZDUSSCGKSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC[C@H]21 ZINC001171815455 905075306 /nfs/dbraw/zinc/07/53/06/905075306.db2.gz WNZFWGOCNFMBMV-HNAYVOBHSA-N 1 1 381.432 3.553 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801555259 921128075 /nfs/dbraw/zinc/12/80/75/921128075.db2.gz IPZBWSKDDZUMIO-CQSZACIVSA-N 1 1 381.448 3.861 20 5 GHBDMO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899681 905922067 /nfs/dbraw/zinc/92/20/67/905922067.db2.gz BSIVRBIBJDCQQZ-TZIWHRDSSA-N 1 1 382.460 3.606 20 5 GHBDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903634 905927731 /nfs/dbraw/zinc/92/77/31/905927731.db2.gz HVIVGIPMRJPENT-KRWDZBQOSA-N 1 1 377.485 3.689 20 5 GHBDMO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904498 905927772 /nfs/dbraw/zinc/92/77/72/905927772.db2.gz XOBNXWHDRPDZIY-UGKGYDQZSA-N 1 1 382.460 3.606 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@H]3[C@H]1CCN3Cc1cccnc1)CC2 ZINC001172908976 905938621 /nfs/dbraw/zinc/93/86/21/905938621.db2.gz QDCQGIJJLLEBDS-ACIOBRDBSA-N 1 1 392.503 3.586 20 5 GHBDMO Cc1cccc(N2CCC[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)n1 ZINC001172920027 905990715 /nfs/dbraw/zinc/99/07/15/905990715.db2.gz HUCRPKXNKFHXSO-HXUWFJFHSA-N 1 1 380.492 3.758 20 5 GHBDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922456 905992931 /nfs/dbraw/zinc/99/29/31/905992931.db2.gz XOYBGENMLLZVGS-AEFFLSMTSA-N 1 1 375.469 3.741 20 5 GHBDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922456 905992940 /nfs/dbraw/zinc/99/29/40/905992940.db2.gz XOYBGENMLLZVGS-AEFFLSMTSA-N 1 1 375.469 3.741 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912979 906021387 /nfs/dbraw/zinc/02/13/87/906021387.db2.gz NUSFCYMCCMKSAZ-FHLIZLRMSA-N 1 1 389.496 3.830 20 5 GHBDMO Cc1cc([C@H]2CCC[N@H+]2C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)no1 ZINC001173010696 906086649 /nfs/dbraw/zinc/08/66/49/906086649.db2.gz XVLSOKBSHOPVEC-GOSISDBHSA-N 1 1 392.406 3.975 20 5 GHBDMO O=C1CC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@@H]2CCCC[C@H]12 ZINC001173010552 906086735 /nfs/dbraw/zinc/08/67/35/906086735.db2.gz USSRAWANFSAVSR-MAUKXSAKSA-N 1 1 393.434 3.675 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCOc4ccccc4C3)CC2)c(F)c1 ZINC001173013151 906089809 /nfs/dbraw/zinc/08/98/09/906089809.db2.gz NSQFCDRXBKHANU-UHFFFAOYSA-N 1 1 389.402 3.736 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCc4sccc4C3)CC2)c(F)c1 ZINC001173013992 906091707 /nfs/dbraw/zinc/09/17/07/906091707.db2.gz NAVJBAAYHJLBOX-UHFFFAOYSA-N 1 1 379.432 3.962 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1F ZINC001173177788 906255340 /nfs/dbraw/zinc/25/53/40/906255340.db2.gz DHZQHZOPFFBANZ-ZBFHGGJFSA-N 1 1 379.476 3.528 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1F ZINC001173177788 906255351 /nfs/dbraw/zinc/25/53/51/906255351.db2.gz DHZQHZOPFFBANZ-ZBFHGGJFSA-N 1 1 379.476 3.528 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c1F ZINC001173191292 906274145 /nfs/dbraw/zinc/27/41/45/906274145.db2.gz BJZQDJZNQYTWME-UONOGXRCSA-N 1 1 396.459 3.727 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)Cc2cccc(OC)c2OC)c1F ZINC001173193435 906276989 /nfs/dbraw/zinc/27/69/89/906276989.db2.gz SDNGBKWOMMFGDE-CYBMUJFWSA-N 1 1 392.427 3.823 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CCc2ccccc2OC)c1F ZINC001173196956 906281379 /nfs/dbraw/zinc/28/13/79/906281379.db2.gz QYYZVIITILAYIB-CQSZACIVSA-N 1 1 376.428 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001173220811 906297693 /nfs/dbraw/zinc/29/76/93/906297693.db2.gz CQVAGGIKBITGJB-JKSUJKDBSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001173221688 906299691 /nfs/dbraw/zinc/29/96/91/906299691.db2.gz LIWPPQYUUFCFAW-IERDGZPVSA-N 1 1 389.496 3.859 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2nn(CC3CC3)cc21 ZINC001173222715 906301982 /nfs/dbraw/zinc/30/19/82/906301982.db2.gz USFDZLUVNUEFLS-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2nn(CC3CC3)cc21 ZINC001173222715 906301998 /nfs/dbraw/zinc/30/19/98/906301998.db2.gz USFDZLUVNUEFLS-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001173223424 906303881 /nfs/dbraw/zinc/30/38/81/906303881.db2.gz ZSHNIBLQCYALNX-CGTJXYLNSA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001173223996 906305104 /nfs/dbraw/zinc/30/51/04/906305104.db2.gz DCSHAOZTIHYRRF-CRAIPNDOSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001173227286 906310651 /nfs/dbraw/zinc/31/06/51/906310651.db2.gz UMBPQOAZIUDTGX-ZHRRBRCNSA-N 1 1 397.450 3.794 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173231131 906315802 /nfs/dbraw/zinc/31/58/02/906315802.db2.gz JTWVRHIWJYBYOF-CJNGLKHVSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173231131 906315812 /nfs/dbraw/zinc/31/58/12/906315812.db2.gz JTWVRHIWJYBYOF-CJNGLKHVSA-N 1 1 399.438 3.760 20 5 GHBDMO NC(=O)c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c([N+](=O)[O-])c1 ZINC000181247440 906953362 /nfs/dbraw/zinc/95/33/62/906953362.db2.gz LZQFLYIBDFOKKL-UHFFFAOYSA-N 1 1 375.375 3.531 20 5 GHBDMO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1F ZINC000184237835 907542807 /nfs/dbraw/zinc/54/28/07/907542807.db2.gz ZLRGNIQIMRNZLQ-ZDUSSCGKSA-N 1 1 385.399 3.516 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1F ZINC000184237835 907542810 /nfs/dbraw/zinc/54/28/10/907542810.db2.gz ZLRGNIQIMRNZLQ-ZDUSSCGKSA-N 1 1 385.399 3.516 20 5 GHBDMO Nc1cc2nc3ccccc3nc2cc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175859493 907799531 /nfs/dbraw/zinc/79/95/31/907799531.db2.gz KDIMBWMMXCXHHB-UHFFFAOYSA-N 1 1 385.471 3.941 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777439533 908182957 /nfs/dbraw/zinc/18/29/57/908182957.db2.gz JPINTFBWRIHZRV-KRWDZBQOSA-N 1 1 395.228 3.590 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777439533 908182959 /nfs/dbraw/zinc/18/29/59/908182959.db2.gz JPINTFBWRIHZRV-KRWDZBQOSA-N 1 1 395.228 3.590 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)Cc1ncc(F)cn1 ZINC001177405118 908565766 /nfs/dbraw/zinc/56/57/66/908565766.db2.gz LQMDTIIJTSEILE-UHFFFAOYSA-N 1 1 389.434 3.873 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193776730 908701960 /nfs/dbraw/zinc/70/19/60/908701960.db2.gz IYRMVWAPZCBONX-LEWJYISDSA-N 1 1 395.503 3.802 20 5 GHBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000194864119 908933948 /nfs/dbraw/zinc/93/39/48/908933948.db2.gz VWPJTQZGKGFGAY-HXUWFJFHSA-N 1 1 387.436 3.661 20 5 GHBDMO CN(C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000195436034 909006845 /nfs/dbraw/zinc/00/68/45/909006845.db2.gz IQTAZJBZBYVIKC-CQSZACIVSA-N 1 1 381.448 3.813 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000195436034 909006863 /nfs/dbraw/zinc/00/68/63/909006863.db2.gz IQTAZJBZBYVIKC-CQSZACIVSA-N 1 1 381.448 3.813 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000266455950 909173641 /nfs/dbraw/zinc/17/36/41/909173641.db2.gz YGALMVJWPPYKKF-KRWDZBQOSA-N 1 1 393.443 3.935 20 5 GHBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@@H](O)c4cccc([N+](=O)[O-])c4)C3)nc2c1 ZINC000246178205 910154182 /nfs/dbraw/zinc/15/41/82/910154182.db2.gz WCDRTPFZEHKPSJ-OXQOHEQNSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@@H]3CCC[N@H+](C[C@@H](O)c4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000246178205 910154187 /nfs/dbraw/zinc/15/41/87/910154187.db2.gz WCDRTPFZEHKPSJ-OXQOHEQNSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](C[C@@H](O)c4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000246178205 910154197 /nfs/dbraw/zinc/15/41/97/910154197.db2.gz WCDRTPFZEHKPSJ-OXQOHEQNSA-N 1 1 380.448 3.693 20 5 GHBDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795397972 910197480 /nfs/dbraw/zinc/19/74/80/910197480.db2.gz SSFJRYWYEQYMTL-BFUOFWGJSA-N 1 1 393.846 3.631 20 5 GHBDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795397972 910197486 /nfs/dbraw/zinc/19/74/86/910197486.db2.gz SSFJRYWYEQYMTL-BFUOFWGJSA-N 1 1 393.846 3.631 20 5 GHBDMO CCC(CC)[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000795413878 910264129 /nfs/dbraw/zinc/26/41/29/910264129.db2.gz WQFMMBATNJIPFC-UHFFFAOYSA-N 1 1 396.285 3.924 20 5 GHBDMO CC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](O)C(F)(F)F ZINC000270969195 910743971 /nfs/dbraw/zinc/74/39/71/910743971.db2.gz IZHUKAHXSHDQMQ-STQMWFEESA-N 1 1 375.372 3.510 20 5 GHBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000773990752 911239470 /nfs/dbraw/zinc/23/94/70/911239470.db2.gz GBHGWPXTZYQNSV-IBGZPJMESA-N 1 1 379.460 3.705 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1 ZINC000796363019 914999715 /nfs/dbraw/zinc/99/97/15/914999715.db2.gz LECZDZZYYIXTOZ-DHIUTWEWSA-N 1 1 392.455 3.864 20 5 GHBDMO CCOc1cc(NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)ccc1[N+](=O)[O-] ZINC001187351102 915214746 /nfs/dbraw/zinc/21/47/46/915214746.db2.gz BRIWCCZZVHCHMR-IBGZPJMESA-N 1 1 385.464 3.615 20 5 GHBDMO CCOc1cc(NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)ccc1[N+](=O)[O-] ZINC001187351102 915214759 /nfs/dbraw/zinc/21/47/59/915214759.db2.gz BRIWCCZZVHCHMR-IBGZPJMESA-N 1 1 385.464 3.615 20 5 GHBDMO CCC1(CC)[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC001191744142 918193017 /nfs/dbraw/zinc/19/30/17/918193017.db2.gz ZDAHOOFPKRXIBF-CVEARBPZSA-N 1 1 383.876 3.712 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000115968034 919487812 /nfs/dbraw/zinc/48/78/12/919487812.db2.gz RGJRAJMCRMHOJD-UHFFFAOYSA-N 1 1 382.445 3.741 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)/C=C(/C)c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000800569435 920278576 /nfs/dbraw/zinc/27/85/76/920278576.db2.gz NTTBJCFWMWPVOD-OVKKFJMPSA-N 1 1 379.460 3.734 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cc(OC)c1 ZINC000801524751 921097541 /nfs/dbraw/zinc/09/75/41/921097541.db2.gz ZERZVNJJROCMNI-OAHLLOKOSA-N 1 1 389.427 3.828 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cc(OC)c1 ZINC000801524751 921097546 /nfs/dbraw/zinc/09/75/46/921097546.db2.gz ZERZVNJJROCMNI-OAHLLOKOSA-N 1 1 389.427 3.828 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000367606960 922225499 /nfs/dbraw/zinc/22/54/99/922225499.db2.gz LRZAOFZNURERIZ-IBGZPJMESA-N 1 1 377.448 3.524 20 5 GHBDMO Cc1c(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368818520 922894821 /nfs/dbraw/zinc/89/48/21/922894821.db2.gz QCLNZDNEYWFRNM-UHFFFAOYSA-N 1 1 382.376 3.542 20 5 GHBDMO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000369671442 923534156 /nfs/dbraw/zinc/53/41/56/923534156.db2.gz SZCNWKIUHQYVMC-AWEZNQCLSA-N 1 1 382.424 3.548 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3[C@@H](O)c3ccccc3)o2)cc1 ZINC000369827941 923651540 /nfs/dbraw/zinc/65/15/40/923651540.db2.gz BHQJRMCAGHDUCD-ICSRJNTNSA-N 1 1 394.431 3.733 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000827178220 924968003 /nfs/dbraw/zinc/96/80/03/924968003.db2.gz GKLKOCCJJIGECD-GDBMZVCRSA-N 1 1 394.374 3.515 20 5 GHBDMO O=C(CC[N@H+](Cc1ccccc1)CC1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411254614 926247395 /nfs/dbraw/zinc/24/73/95/926247395.db2.gz NYRICHXHEDUUHE-UHFFFAOYSA-N 1 1 397.475 3.852 20 5 GHBDMO COc1ccc2cc(C[N@H+](C)Cn3nc(C)c4cc([N+](=O)[O-])cnc43)ccc2c1 ZINC000749935559 927358051 /nfs/dbraw/zinc/35/80/51/927358051.db2.gz ATZOWGPYBIAILR-UHFFFAOYSA-N 1 1 391.431 3.899 20 5 GHBDMO COc1ccc2cc(C[N@@H+](C)Cn3nc(C)c4cc([N+](=O)[O-])cnc43)ccc2c1 ZINC000749935559 927358062 /nfs/dbraw/zinc/35/80/62/927358062.db2.gz ATZOWGPYBIAILR-UHFFFAOYSA-N 1 1 391.431 3.899 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000750074377 927420328 /nfs/dbraw/zinc/42/03/28/927420328.db2.gz XQBHHKDHGDKPEU-DHIUTWEWSA-N 1 1 395.503 3.616 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)c(OC)c1 ZINC000750090625 927429340 /nfs/dbraw/zinc/42/93/40/927429340.db2.gz DOELMDIKBVBHDS-IBGZPJMESA-N 1 1 388.464 3.946 20 5 GHBDMO Cc1c(C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000750283704 927533362 /nfs/dbraw/zinc/53/33/62/927533362.db2.gz LUBRVMNODPGDRB-MRXNPFEDSA-N 1 1 377.485 3.982 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCCC[C@@H]3Cc3ccccc3)n2)c1 ZINC000750604613 927744754 /nfs/dbraw/zinc/74/47/54/927744754.db2.gz WFEMYJJZMQWDTL-LJQANCHMSA-N 1 1 377.448 3.908 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(O)(CC)CC2)cc1OC ZINC000543841975 928489568 /nfs/dbraw/zinc/48/95/68/928489568.db2.gz VRSIIQPLBCHWHZ-HNNXBMFYSA-N 1 1 380.485 3.765 20 5 GHBDMO COc1ccc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000543894076 928545618 /nfs/dbraw/zinc/54/56/18/928545618.db2.gz PWLQYXFFASFWAW-UHFFFAOYSA-N 1 1 398.463 3.562 20 5 GHBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000752079057 928594481 /nfs/dbraw/zinc/59/44/81/928594481.db2.gz ZMGXCIMMIQZEHN-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000752079057 928594484 /nfs/dbraw/zinc/59/44/84/928594484.db2.gz ZMGXCIMMIQZEHN-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000544070449 928765563 /nfs/dbraw/zinc/76/55/63/928765563.db2.gz ZZHMQGSIHXQDFC-DLBZAZTESA-N 1 1 376.840 3.825 20 5 GHBDMO C/C(=C\C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752476884 928840741 /nfs/dbraw/zinc/84/07/41/928840741.db2.gz DMNJPMQHGGJNTM-UEBLJOKOSA-N 1 1 379.460 3.731 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000467471124 929103207 /nfs/dbraw/zinc/10/32/07/929103207.db2.gz DLYYJNWKAVEMHG-HNNXBMFYSA-N 1 1 377.510 3.552 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467546190 929186910 /nfs/dbraw/zinc/18/69/10/929186910.db2.gz LQWPOKUTQCFPAP-SFHVURJKSA-N 1 1 384.432 3.874 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[N@H+]1Cc1ccccc1 ZINC000753293802 929289132 /nfs/dbraw/zinc/28/91/32/929289132.db2.gz QMMIPBPMYQPGIS-NVXWUHKLSA-N 1 1 385.439 3.764 20 5 GHBDMO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000753681969 929480343 /nfs/dbraw/zinc/48/03/43/929480343.db2.gz NIPMRFBJZNGLLH-HXUWFJFHSA-N 1 1 389.883 3.720 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000469971134 930284961 /nfs/dbraw/zinc/28/49/61/930284961.db2.gz CINXCCFIJZGZCP-GDBMZVCRSA-N 1 1 388.443 3.503 20 5 GHBDMO C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000470120903 930388985 /nfs/dbraw/zinc/38/89/85/930388985.db2.gz NJNXYOUMWXFANL-ZBFHGGJFSA-N 1 1 386.427 3.766 20 5 GHBDMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470170532 930427270 /nfs/dbraw/zinc/42/72/70/930427270.db2.gz WKXRFKDTQYDYFF-LFIBNONCSA-N 1 1 385.439 3.776 20 5 GHBDMO COc1c(C)c[nH+]c(CCCOC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1C ZINC000780597965 930557447 /nfs/dbraw/zinc/55/74/47/930557447.db2.gz CDVMCKHBROLGRD-UHFFFAOYSA-N 1 1 397.431 3.815 20 5 GHBDMO COC(=O)/C=C/c1ccc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000781395431 930829370 /nfs/dbraw/zinc/82/93/70/930829370.db2.gz YXVOTLQRGODBHM-XLZHNJQLSA-N 1 1 387.480 3.846 20 5 GHBDMO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547242270 930838266 /nfs/dbraw/zinc/83/82/66/930838266.db2.gz LHMKVNLLIAGWLI-SFHVURJKSA-N 1 1 399.466 3.744 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000470969028 931064954 /nfs/dbraw/zinc/06/49/54/931064954.db2.gz UBXPPYGFRJSMFD-AEFFLSMTSA-N 1 1 397.475 3.634 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000782083667 931084371 /nfs/dbraw/zinc/08/43/71/931084371.db2.gz JOCFBKNXFXMPBV-AWEZNQCLSA-N 1 1 385.645 3.834 20 5 GHBDMO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782511370 931248935 /nfs/dbraw/zinc/24/89/35/931248935.db2.gz USEAHAODGPGKED-NSHDSACASA-N 1 1 393.365 3.960 20 5 GHBDMO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782511370 931248942 /nfs/dbraw/zinc/24/89/42/931248942.db2.gz USEAHAODGPGKED-NSHDSACASA-N 1 1 393.365 3.960 20 5 GHBDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 ZINC000782957606 931375365 /nfs/dbraw/zinc/37/53/65/931375365.db2.gz XQKOQXPETSLVAW-VQIMIIECSA-N 1 1 377.448 3.997 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000557538674 931528971 /nfs/dbraw/zinc/52/89/71/931528971.db2.gz YGQVDLHGJSECMJ-NILFDRSVSA-N 1 1 387.402 3.681 20 5 GHBDMO COC(=O)c1cc(C)nc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1[N+](=O)[O-] ZINC000557623955 931579935 /nfs/dbraw/zinc/57/99/35/931579935.db2.gz DFHZSKXCALJKKA-UHFFFAOYSA-N 1 1 381.392 3.593 20 5 GHBDMO C[C@@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925232108 931709949 /nfs/dbraw/zinc/70/99/49/931709949.db2.gz DRVJQJIBOPVXRK-IEBWSBKVSA-N 1 1 396.491 3.819 20 5 GHBDMO [NH3+]CCC[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000925762547 931896590 /nfs/dbraw/zinc/89/65/90/931896590.db2.gz LFLWPEYCORCOJD-INIZCTEOSA-N 1 1 378.270 3.927 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000784483673 931910405 /nfs/dbraw/zinc/91/04/05/931910405.db2.gz JZYGVVLVXDJBQI-AWEZNQCLSA-N 1 1 393.365 3.702 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000784517017 931921832 /nfs/dbraw/zinc/92/18/32/931921832.db2.gz PIQNBPBSEJSPSZ-QLFBSQMISA-N 1 1 381.498 3.782 20 5 GHBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000558607923 932105532 /nfs/dbraw/zinc/10/55/32/932105532.db2.gz FINOXOCVVTYCFG-IBGZPJMESA-N 1 1 396.491 3.696 20 5 GHBDMO C[C@@]1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798527087 932690011 /nfs/dbraw/zinc/69/00/11/932690011.db2.gz MXASPZISTPBWME-QFIPXVFZSA-N 1 1 381.476 3.556 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000799358661 932967153 /nfs/dbraw/zinc/96/71/53/932967153.db2.gz NUJCSWFVVGCUNC-HNNXBMFYSA-N 1 1 393.484 3.730 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000799360704 932969846 /nfs/dbraw/zinc/96/98/46/932969846.db2.gz ODEHTCMWPGUSLX-CQSZACIVSA-N 1 1 381.448 3.861 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000799360820 932969860 /nfs/dbraw/zinc/96/98/60/932969860.db2.gz PHZWIBBPDUHJNU-KRWDZBQOSA-N 1 1 377.485 3.764 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000560530865 933315504 /nfs/dbraw/zinc/31/55/04/933315504.db2.gz VHNLYJIDBMVOFC-IBGZPJMESA-N 1 1 384.411 3.616 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1Cc1ccccc1 ZINC001116220029 933411179 /nfs/dbraw/zinc/41/11/79/933411179.db2.gz WYJBOONIWCKKEQ-OXJNMPFZSA-N 1 1 394.475 3.673 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001117137845 933862593 /nfs/dbraw/zinc/86/25/93/933862593.db2.gz QYDHPVRHOHBPMA-HXUWFJFHSA-N 1 1 380.448 3.614 20 5 GHBDMO CCC[N@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000561811293 934472570 /nfs/dbraw/zinc/47/25/70/934472570.db2.gz RRXJVQSAYIHZRE-UHFFFAOYSA-N 1 1 389.427 3.983 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000561811293 934472574 /nfs/dbraw/zinc/47/25/74/934472574.db2.gz RRXJVQSAYIHZRE-UHFFFAOYSA-N 1 1 389.427 3.983 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cccc1[N+](=O)[O-] ZINC000931912438 934762893 /nfs/dbraw/zinc/76/28/93/934762893.db2.gz CDXUSXMWSQDACD-ABAIWWIYSA-N 1 1 389.349 3.597 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cccc1[N+](=O)[O-] ZINC000931912438 934762895 /nfs/dbraw/zinc/76/28/95/934762895.db2.gz CDXUSXMWSQDACD-ABAIWWIYSA-N 1 1 389.349 3.597 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC001125229336 935554572 /nfs/dbraw/zinc/55/45/72/935554572.db2.gz CHMNECSMLRZYEM-INIZCTEOSA-N 1 1 383.473 3.942 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000828043930 935568800 /nfs/dbraw/zinc/56/88/00/935568800.db2.gz IISGPNQLWWFFBD-DHDCSXOGSA-N 1 1 391.431 3.717 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001460978242 1069312584 /nfs/dbraw/zinc/31/25/84/1069312584.db2.gz ZAGLGPMRVJPLAT-HZPDHXFCSA-N 1 1 399.495 3.753 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001460978242 1069312574 /nfs/dbraw/zinc/31/25/74/1069312574.db2.gz ZAGLGPMRVJPLAT-HZPDHXFCSA-N 1 1 399.495 3.753 20 5 GHBDMO CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000545149237 1015586597 /nfs/dbraw/zinc/58/65/97/1015586597.db2.gz ORZYGABOWDLWEA-KRWDZBQOSA-N 1 1 399.466 3.792 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)C[C@H](C)O1 ZINC000545552622 1016028115 /nfs/dbraw/zinc/02/81/15/1016028115.db2.gz OUULBGYMQPRIQI-GASCZTMLSA-N 1 1 394.431 3.921 20 5 GHBDMO CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546907188 1016767031 /nfs/dbraw/zinc/76/70/31/1016767031.db2.gz ZIFHSHXNOCPYRD-GOSISDBHSA-N 1 1 392.459 3.813 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001227123334 1032280050 /nfs/dbraw/zinc/28/00/50/1032280050.db2.gz ARLGSWMALJENDV-YVWKXTFCSA-N 1 1 396.443 3.671 20 5 GHBDMO CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000560083659 1017542628 /nfs/dbraw/zinc/54/26/28/1017542628.db2.gz OTISOTZYXVTYQY-SFHVURJKSA-N 1 1 381.476 3.653 20 5 GHBDMO C[C@@]1(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCC[N@H+]1Cc1ccccc1 ZINC000778071694 1018125984 /nfs/dbraw/zinc/12/59/84/1018125984.db2.gz ZJULHZWWBVUXLF-FQEVSTJZSA-N 1 1 389.402 3.658 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2cncc(Br)c2)c1 ZINC000932250741 1018157648 /nfs/dbraw/zinc/15/76/48/1018157648.db2.gz DTGGXLODPUORNJ-IRXDYDNUSA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2c2cncc(Br)c2)c1 ZINC000932250741 1018157655 /nfs/dbraw/zinc/15/76/55/1018157655.db2.gz DTGGXLODPUORNJ-IRXDYDNUSA-N 1 1 392.253 3.623 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)c2nccc(C)c2[N+](=O)[O-])cc1 ZINC001156292998 1032962971 /nfs/dbraw/zinc/96/29/71/1032962971.db2.gz BWPRTVMXLGSALL-SFHVURJKSA-N 1 1 384.480 3.798 20 5 GHBDMO COc1cc(C)nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001156317268 1032980484 /nfs/dbraw/zinc/98/04/84/1032980484.db2.gz KUHODGOBXVCURM-RCCFBDPRSA-N 1 1 382.464 3.629 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000801935945 1021456840 /nfs/dbraw/zinc/45/68/40/1021456840.db2.gz HFWSCLPQXMAYAG-MRXNPFEDSA-N 1 1 389.496 3.990 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000802654016 1021514571 /nfs/dbraw/zinc/51/45/71/1021514571.db2.gz DQMPEBIAJVDZRQ-YHAGJJCESA-N 1 1 375.469 3.845 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C12CCCCC2 ZINC001204616430 1032996123 /nfs/dbraw/zinc/99/61/23/1032996123.db2.gz WOFPOWIPWLRDBY-IRXDYDNUSA-N 1 1 378.469 3.869 20 5 GHBDMO O=C(OCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000803908091 1021644928 /nfs/dbraw/zinc/64/49/28/1021644928.db2.gz UOFKDURYTZMDGO-KRWDZBQOSA-N 1 1 390.386 3.795 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000754478773 1022729554 /nfs/dbraw/zinc/72/95/54/1022729554.db2.gz VGLKDILECXCOSE-JLHYYAGUSA-N 1 1 386.477 3.860 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000754478773 1022729568 /nfs/dbraw/zinc/72/95/68/1022729568.db2.gz VGLKDILECXCOSE-JLHYYAGUSA-N 1 1 386.477 3.860 20 5 GHBDMO COC(=O)c1cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC001228769871 1033087453 /nfs/dbraw/zinc/08/74/53/1033087453.db2.gz CWCSGHJWUDTXEQ-QRWLVFNGSA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1c(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC001229050510 1033249913 /nfs/dbraw/zinc/24/99/13/1033249913.db2.gz ZNOKHMFZOCNAPM-HNNXBMFYSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1c(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC001229050510 1033249928 /nfs/dbraw/zinc/24/99/28/1033249928.db2.gz ZNOKHMFZOCNAPM-HNNXBMFYSA-N 1 1 388.395 3.564 20 5 GHBDMO Cc1c(Br)c(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001162243630 1025688428 /nfs/dbraw/zinc/68/84/28/1025688428.db2.gz COIMPDPZSNKAGZ-GRYCIOLGSA-N 1 1 385.306 3.839 20 5 GHBDMO Cc1ccc(-c2ccc(N[C@@H](C[NH+]3CCOCC3)C(C)(C)C)nn2)cc1[N+](=O)[O-] ZINC001162881143 1025951724 /nfs/dbraw/zinc/95/17/24/1025951724.db2.gz PQODWCYCFLRNJM-IBGZPJMESA-N 1 1 399.495 3.519 20 5 GHBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](O)c1cccc(Br)c1 ZINC000839639021 1026145914 /nfs/dbraw/zinc/14/59/14/1026145914.db2.gz IFZLAYSWHTUBHD-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](O)c1cccc(Br)c1 ZINC000839639021 1026145921 /nfs/dbraw/zinc/14/59/21/1026145921.db2.gz IFZLAYSWHTUBHD-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000839678374 1026193875 /nfs/dbraw/zinc/19/38/75/1026193875.db2.gz ABEWZKDTYJFONX-IBGZPJMESA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000839678374 1026193879 /nfs/dbraw/zinc/19/38/79/1026193879.db2.gz ABEWZKDTYJFONX-IBGZPJMESA-N 1 1 379.432 3.709 20 5 GHBDMO Cc1cc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163674025 1026279003 /nfs/dbraw/zinc/27/90/03/1026279003.db2.gz HGACZCMCKHNOAO-HXUWFJFHSA-N 1 1 389.459 3.853 20 5 GHBDMO CCc1nn(C)c(N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164342829 1026491568 /nfs/dbraw/zinc/49/15/68/1026491568.db2.gz UIWIJROPTHHNND-SQNIBIBYSA-N 1 1 383.496 3.603 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)c2c1 ZINC000840114382 1027222258 /nfs/dbraw/zinc/22/22/58/1027222258.db2.gz HOSQEFOGJPHLKR-LZWOXQAQSA-N 1 1 377.466 3.845 20 5 GHBDMO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000840128020 1027255216 /nfs/dbraw/zinc/25/52/16/1027255216.db2.gz UKSMBSXCTXUTAO-GDBMZVCRSA-N 1 1 387.505 3.780 20 5 GHBDMO C[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000840128020 1027255232 /nfs/dbraw/zinc/25/52/32/1027255232.db2.gz UKSMBSXCTXUTAO-GDBMZVCRSA-N 1 1 387.505 3.780 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)c2c(Cl)c1 ZINC000840130999 1027259270 /nfs/dbraw/zinc/25/92/70/1027259270.db2.gz XNFQDMREJPKEAA-WBVHZDCISA-N 1 1 390.871 3.837 20 5 GHBDMO C[NH+]1CCC(COc2c(F)cccc2Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC001210397581 1027488067 /nfs/dbraw/zinc/48/80/67/1027488067.db2.gz BYRWVXBJBYZCIT-UHFFFAOYSA-N 1 1 375.400 3.904 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000176446965 1028296248 /nfs/dbraw/zinc/29/62/48/1028296248.db2.gz SLOSLTKMYGXJJE-ZDUSSCGKSA-N 1 1 377.466 3.557 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000176446965 1028296266 /nfs/dbraw/zinc/29/62/66/1028296266.db2.gz SLOSLTKMYGXJJE-ZDUSSCGKSA-N 1 1 377.466 3.557 20 5 GHBDMO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216484492 1029658201 /nfs/dbraw/zinc/65/82/01/1029658201.db2.gz JLQDOIDPYBROQD-UHFFFAOYSA-N 1 1 386.383 3.643 20 5 GHBDMO C[C@@H](OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001222929565 1030353618 /nfs/dbraw/zinc/35/36/18/1030353618.db2.gz PLGHZARMWCGVDE-FOIQADDNSA-N 1 1 397.431 3.542 20 5 GHBDMO C[C@@H](OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001222929565 1030353630 /nfs/dbraw/zinc/35/36/30/1030353630.db2.gz PLGHZARMWCGVDE-FOIQADDNSA-N 1 1 397.431 3.542 20 5 GHBDMO COC(=O)c1c(CO[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001223292929 1030512585 /nfs/dbraw/zinc/51/25/85/1030512585.db2.gz DLNBCLMHFLWWOD-OXQOHEQNSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1ccc(CO[C@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001223414969 1030566883 /nfs/dbraw/zinc/56/68/83/1030566883.db2.gz UFFPGHLJIOXDPA-YJBOKZPZSA-N 1 1 399.447 3.519 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1OC1CC[NH2+]CC1 ZINC001217965058 1030692564 /nfs/dbraw/zinc/69/25/64/1030692564.db2.gz MEADHDPOBJEPGY-UHFFFAOYSA-N 1 1 395.455 3.997 20 5 GHBDMO O=[N+]([O-])c1ccc(CO[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC001224099960 1030884087 /nfs/dbraw/zinc/88/40/87/1030884087.db2.gz HDOQQIAGRISHIF-INIZCTEOSA-N 1 1 391.811 3.948 20 5 GHBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001153289801 1031522729 /nfs/dbraw/zinc/52/27/29/1031522729.db2.gz HTRGDZWBCNWNFX-LJQANCHMSA-N 1 1 387.867 3.572 20 5 GHBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001153289801 1031522744 /nfs/dbraw/zinc/52/27/44/1031522744.db2.gz HTRGDZWBCNWNFX-LJQANCHMSA-N 1 1 387.867 3.572 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001225890020 1031676936 /nfs/dbraw/zinc/67/69/36/1031676936.db2.gz WPAQZHUNPLZBLS-HNNXBMFYSA-N 1 1 375.356 3.686 20 5 GHBDMO CCC[NH+]1CCC(NC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)CC1 ZINC001219954871 1031716271 /nfs/dbraw/zinc/71/62/71/1031716271.db2.gz WBOSTLYDEROLHG-DEOSSOPVSA-N 1 1 389.543 3.853 20 5 GHBDMO Cc1c(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001220231651 1031848104 /nfs/dbraw/zinc/84/81/04/1031848104.db2.gz MLDACTSKIOULKO-LBPRGKRZSA-N 1 1 388.390 3.774 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(O[C@H]3[C@@H]4CC[C@H]3C[N@H+](Cc3ccccc3)C4)c2c1 ZINC001226435791 1031958814 /nfs/dbraw/zinc/95/88/14/1031958814.db2.gz FRXJMSWDRXCZNW-LFUKPOHLSA-N 1 1 390.443 3.827 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(O[C@H]3CCC[N@@H+](Cc4ccccc4F)C3)c2c1 ZINC001226441537 1031961602 /nfs/dbraw/zinc/96/16/02/1031961602.db2.gz RFDIPIALJAPGAY-INIZCTEOSA-N 1 1 382.395 3.721 20 5 GHBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001157017245 1033373628 /nfs/dbraw/zinc/37/36/28/1033373628.db2.gz LHPOPSANCBZIAB-IXDOHACOSA-N 1 1 390.528 3.536 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001157066307 1033399360 /nfs/dbraw/zinc/39/93/60/1033399360.db2.gz FZLBIFCEHDQWHZ-UHFFFAOYSA-N 1 1 395.438 3.778 20 5 GHBDMO COc1c(O)ccc(CN[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC001205491911 1033439003 /nfs/dbraw/zinc/43/90/03/1033439003.db2.gz DBWTWKVGXMBGTH-GOSISDBHSA-N 1 1 387.480 3.555 20 5 GHBDMO COc1c(O)ccc(CN[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC001205491911 1033439010 /nfs/dbraw/zinc/43/90/10/1033439010.db2.gz DBWTWKVGXMBGTH-GOSISDBHSA-N 1 1 387.480 3.555 20 5 GHBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC001207415096 1034351189 /nfs/dbraw/zinc/35/11/89/1034351189.db2.gz JNIIMCYYQBGCMV-ZDUSSCGKSA-N 1 1 386.452 3.605 20 5 GHBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)CC2)cc1 ZINC001207625190 1034494948 /nfs/dbraw/zinc/49/49/48/1034494948.db2.gz UDARBYAJVCGRIP-UHFFFAOYSA-N 1 1 397.479 3.650 20 5 GHBDMO CC(C)(NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001159789172 1034741807 /nfs/dbraw/zinc/74/18/07/1034741807.db2.gz QWROCEBLGCKWER-LJQANCHMSA-N 1 1 395.503 3.901 20 5 GHBDMO c1ccc(C[NH+]2C[C@@H]3CN(Cc4ccc5ccc6cccnc6c5n4)C[C@H]3C2)nc1 ZINC001232221800 1035170069 /nfs/dbraw/zinc/17/00/69/1035170069.db2.gz CUAJVGKWSHSKKB-NHCUHLMSSA-N 1 1 395.510 3.742 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001248208858 1035641274 /nfs/dbraw/zinc/64/12/74/1035641274.db2.gz MPDHCAMEMBEXDW-CYBMUJFWSA-N 1 1 380.738 3.819 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001248662012 1036036068 /nfs/dbraw/zinc/03/60/68/1036036068.db2.gz GPBCDMGGMHYLOK-MSOLQXFVSA-N 1 1 396.491 3.819 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(c3cccc(F)c3)CCNCC1)CC2 ZINC001246436872 1037399780 /nfs/dbraw/zinc/39/97/80/1037399780.db2.gz KQVAGRAGEBPIMI-HXUWFJFHSA-N 1 1 383.467 3.850 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H](NC1(c3cccc(F)c3)CC[NH2+]CC1)CC2 ZINC001246436872 1037399799 /nfs/dbraw/zinc/39/97/99/1037399799.db2.gz KQVAGRAGEBPIMI-HXUWFJFHSA-N 1 1 383.467 3.850 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC001233574071 1039450134 /nfs/dbraw/zinc/45/01/34/1039450134.db2.gz FUVAWVGKXSHUSC-IGOJGBNBSA-N 1 1 383.404 3.792 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC001233599388 1039470753 /nfs/dbraw/zinc/47/07/53/1039470753.db2.gz JHYXDYRNNFQHKE-OAHLLOKOSA-N 1 1 378.375 3.543 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC001233707362 1039555586 /nfs/dbraw/zinc/55/55/86/1039555586.db2.gz JUZLDBSBRNXJNC-AWEZNQCLSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC001233707362 1039555603 /nfs/dbraw/zinc/55/56/03/1039555603.db2.gz JUZLDBSBRNXJNC-AWEZNQCLSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+](Cc3cccnc3)C3CCOCC3)CC2)cc1 ZINC001254479036 1040265763 /nfs/dbraw/zinc/26/57/63/1040265763.db2.gz PIPBLKKSBCPMCB-UHFFFAOYSA-N 1 1 396.491 3.640 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001254559209 1040330571 /nfs/dbraw/zinc/33/05/71/1040330571.db2.gz JQLICKRYAXNOOH-VYDXJSESSA-N 1 1 377.485 3.903 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001254560280 1040331780 /nfs/dbraw/zinc/33/17/80/1040331780.db2.gz RIMQRVIISADOAF-CZAAIQMYSA-N 1 1 381.476 3.649 20 5 GHBDMO Cc1ccc(N2C[C@]3(CC[N@H+]([C@H]4Cc5ccc([N+](=O)[O-])cc5C4)C3)CC2=O)s1 ZINC001254595103 1040367734 /nfs/dbraw/zinc/36/77/34/1040367734.db2.gz JBGSMQYZQFEUCO-GHTZIAJQSA-N 1 1 397.500 3.561 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C1)C2 ZINC001254594995 1040368097 /nfs/dbraw/zinc/36/80/97/1040368097.db2.gz UNYQDZJSYBWADW-SMMRIJLZSA-N 1 1 397.500 3.858 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001254606447 1040377758 /nfs/dbraw/zinc/37/77/58/1040377758.db2.gz GJRUIFSYCFXTNA-INIZCTEOSA-N 1 1 381.259 3.863 20 5 GHBDMO C[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001254609813 1040382007 /nfs/dbraw/zinc/38/20/07/1040382007.db2.gz YPPAZJFWKRGKJU-SFHVURJKSA-N 1 1 389.496 3.783 20 5 GHBDMO CCC[N@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001254611753 1040384712 /nfs/dbraw/zinc/38/47/12/1040384712.db2.gz SMUXTJKTIHXVAD-RBUKOAKNSA-N 1 1 389.496 3.783 20 5 GHBDMO O=[N+]([O-])c1ccc(OCc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC001255418880 1041014423 /nfs/dbraw/zinc/01/44/23/1041014423.db2.gz DDTFGIOZMWJSIQ-MRXNPFEDSA-N 1 1 380.404 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1Cc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255426083 1041021164 /nfs/dbraw/zinc/02/11/64/1041021164.db2.gz CWGJLRRCFJTIEJ-OAHLLOKOSA-N 1 1 382.395 3.697 20 5 GHBDMO O=[N+]([O-])c1c(F)cccc1Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255427302 1041024535 /nfs/dbraw/zinc/02/45/35/1041024535.db2.gz JGFPIHZNOGTNCA-INIZCTEOSA-N 1 1 382.395 3.697 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC001255437848 1041039056 /nfs/dbraw/zinc/03/90/56/1041039056.db2.gz ONDXSUDKFJGAQC-KRWDZBQOSA-N 1 1 394.431 3.589 20 5 GHBDMO COc1ccc(Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c([N+](=O)[O-])c1 ZINC001255450535 1041052022 /nfs/dbraw/zinc/05/20/22/1041052022.db2.gz CGPCFUVKLFCUMW-QGZVFWFLSA-N 1 1 394.431 3.567 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CC[C@H](F)C(F)(F)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256094196 1041523604 /nfs/dbraw/zinc/52/36/04/1041523604.db2.gz HMGPZRLIIHUBFG-KRWDZBQOSA-N 1 1 387.402 3.641 20 5 GHBDMO CC[C@H](C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C(C)C ZINC001291702674 1043403062 /nfs/dbraw/zinc/40/30/62/1043403062.db2.gz ADUJPRMKNSBJSO-INIZCTEOSA-N 1 1 388.516 3.676 20 5 GHBDMO CCC(CC)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccccc1 ZINC001293487524 1044208897 /nfs/dbraw/zinc/20/88/97/1044208897.db2.gz HBGSTJKBCIWZFJ-OAHLLOKOSA-N 1 1 385.464 3.940 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001297647218 1045597097 /nfs/dbraw/zinc/59/70/97/1045597097.db2.gz RTZLBVNRLZEQRV-NRFANRHFSA-N 1 1 399.466 3.790 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001297647218 1045597109 /nfs/dbraw/zinc/59/71/09/1045597109.db2.gz RTZLBVNRLZEQRV-NRFANRHFSA-N 1 1 399.466 3.790 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001261260760 1045945674 /nfs/dbraw/zinc/94/56/74/1045945674.db2.gz XMUXKEGDUYCPTP-FUHWJXTLSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001261260760 1045945679 /nfs/dbraw/zinc/94/56/79/1045945679.db2.gz XMUXKEGDUYCPTP-FUHWJXTLSA-N 1 1 391.830 3.871 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000588016415 1047053028 /nfs/dbraw/zinc/05/30/28/1047053028.db2.gz UEQQMHJGTJYRLM-HYVNUMGLSA-N 1 1 395.488 3.922 20 5 GHBDMO CCc1[nH+]ccn1CCNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC001303469564 1047399277 /nfs/dbraw/zinc/39/92/77/1047399277.db2.gz KKKBXIORMCVEKI-UHFFFAOYSA-N 1 1 390.509 3.922 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001463222848 1070921584 /nfs/dbraw/zinc/92/15/84/1070921584.db2.gz LZGIJMGMCYEHNI-INIZCTEOSA-N 1 1 385.489 3.960 20 5 GHBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001305029327 1047843454 /nfs/dbraw/zinc/84/34/54/1047843454.db2.gz CLNYFCIPGXOFPP-JKSUJKDBSA-N 1 1 398.511 3.572 20 5 GHBDMO CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1C ZINC001306682116 1048810879 /nfs/dbraw/zinc/81/08/79/1048810879.db2.gz CQAROHAWXPUJQT-MRXNPFEDSA-N 1 1 386.500 3.574 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[N@H+]2CCC[C@H]2C)cc1 ZINC001306829222 1048918133 /nfs/dbraw/zinc/91/81/33/1048918133.db2.gz PIPOSHBZRGEWGP-OAHLLOKOSA-N 1 1 399.447 3.610 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001288424987 1049086547 /nfs/dbraw/zinc/08/65/47/1049086547.db2.gz PQPQGMRTMCNBMX-FQEVSTJZSA-N 1 1 381.476 3.650 20 5 GHBDMO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC001307128426 1049092942 /nfs/dbraw/zinc/09/29/42/1049092942.db2.gz KFHORUORVHEMRL-QGZVFWFLSA-N 1 1 391.903 3.719 20 5 GHBDMO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC001307128426 1049092952 /nfs/dbraw/zinc/09/29/52/1049092952.db2.gz KFHORUORVHEMRL-QGZVFWFLSA-N 1 1 391.903 3.719 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC001307804111 1049603248 /nfs/dbraw/zinc/60/32/48/1049603248.db2.gz ZDLYGVJDVRSVQA-VKJFTORMSA-N 1 1 383.448 3.808 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307817870 1049612947 /nfs/dbraw/zinc/61/29/47/1049612947.db2.gz NAPQIBDRXIKLKX-HIFRSBDPSA-N 1 1 381.448 3.717 20 5 GHBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC001307819514 1049614617 /nfs/dbraw/zinc/61/46/17/1049614617.db2.gz MIEXTNZQWRNBRE-UHFFFAOYSA-N 1 1 378.885 3.558 20 5 GHBDMO C[N@H+]1C[C@@]23CN(C(=O)CCc4ccc([N+](=O)[O-])cc4Cl)C[C@]2(C1)CCCC3 ZINC001289859446 1049662149 /nfs/dbraw/zinc/66/21/49/1049662149.db2.gz RHMKOFCATURBSD-BGYRXZFFSA-N 1 1 391.899 3.515 20 5 GHBDMO Cc1ccc(C[N@@H+]2C3CCC2(CNC(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC001308150534 1049888430 /nfs/dbraw/zinc/88/84/30/1049888430.db2.gz VCUITRKDJLSJFZ-UHFFFAOYSA-N 1 1 375.469 3.925 20 5 GHBDMO Cc1ccc(C[N@H+]2C3CCC2(CNC(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC001308150534 1049888432 /nfs/dbraw/zinc/88/84/32/1049888432.db2.gz VCUITRKDJLSJFZ-UHFFFAOYSA-N 1 1 375.469 3.925 20 5 GHBDMO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308176213 1049901499 /nfs/dbraw/zinc/90/14/99/1049901499.db2.gz APYVZLKMSZQVNA-MRXNPFEDSA-N 1 1 381.448 3.955 20 5 GHBDMO CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308176213 1049901505 /nfs/dbraw/zinc/90/15/05/1049901505.db2.gz APYVZLKMSZQVNA-MRXNPFEDSA-N 1 1 381.448 3.955 20 5 GHBDMO CC(=O)N1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 ZINC001308333814 1049951157 /nfs/dbraw/zinc/95/11/57/1049951157.db2.gz QPFHXQIWVWYESB-MRXNPFEDSA-N 1 1 391.374 3.784 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(Oc4ccccn4)c3)C2)nc1 ZINC001308573459 1050015799 /nfs/dbraw/zinc/01/57/99/1050015799.db2.gz KAILJJPRXMULGN-QGZVFWFLSA-N 1 1 391.431 3.864 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2(C)C)cc1[N+](=O)[O-] ZINC001308824381 1050108755 /nfs/dbraw/zinc/10/87/55/1050108755.db2.gz RTYDDEFTXWWRDM-SFHVURJKSA-N 1 1 398.459 3.915 20 5 GHBDMO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001312817646 1052881053 /nfs/dbraw/zinc/88/10/53/1052881053.db2.gz UUVHUVXFEGFBOR-UWVAXJGDSA-N 1 1 396.491 3.661 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001343931666 1054126249 /nfs/dbraw/zinc/12/62/49/1054126249.db2.gz LBLUPNQRBVOSSG-MJGOQNOKSA-N 1 1 385.439 3.573 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001343931666 1054126255 /nfs/dbraw/zinc/12/62/55/1054126255.db2.gz LBLUPNQRBVOSSG-MJGOQNOKSA-N 1 1 385.439 3.573 20 5 GHBDMO Cc1cccc(NC[C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC001318713799 1054816182 /nfs/dbraw/zinc/81/61/82/1054816182.db2.gz KJVBSLYAPJAUQC-INIZCTEOSA-N 1 1 388.855 3.597 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318899690 1054941938 /nfs/dbraw/zinc/94/19/38/1054941938.db2.gz JBWQUVGVQPRGCC-FQEVSTJZSA-N 1 1 386.496 3.665 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001345370628 1055009941 /nfs/dbraw/zinc/00/99/41/1055009941.db2.gz LUMOXWVSWFJYGM-GOEBONIOSA-N 1 1 384.436 3.560 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001319073331 1055022014 /nfs/dbraw/zinc/02/20/14/1055022014.db2.gz VBLSMZHVJXWRIX-QFBILLFUSA-N 1 1 382.464 3.530 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001319073331 1055022028 /nfs/dbraw/zinc/02/20/28/1055022028.db2.gz VBLSMZHVJXWRIX-QFBILLFUSA-N 1 1 382.464 3.530 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001320780150 1055958422 /nfs/dbraw/zinc/95/84/22/1055958422.db2.gz XPMRYIDFQZFSLW-RDJZCZTQSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001320780150 1055958425 /nfs/dbraw/zinc/95/84/25/1055958425.db2.gz XPMRYIDFQZFSLW-RDJZCZTQSA-N 1 1 392.818 3.954 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)ccc1Cl ZINC001320896713 1056004712 /nfs/dbraw/zinc/00/47/12/1056004712.db2.gz VFALYWNAUXBFCJ-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001321027815 1056062689 /nfs/dbraw/zinc/06/26/89/1056062689.db2.gz OTISNVARYNVKBE-NXXSPTCGSA-N 1 1 389.402 3.538 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001321027815 1056062701 /nfs/dbraw/zinc/06/27/01/1056062701.db2.gz OTISNVARYNVKBE-NXXSPTCGSA-N 1 1 389.402 3.538 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001355581856 1057218306 /nfs/dbraw/zinc/21/83/06/1057218306.db2.gz SQRQBNVJKCOCKQ-JIPZTSHUSA-N 1 1 399.466 3.929 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC001355907037 1057311038 /nfs/dbraw/zinc/31/10/38/1057311038.db2.gz QAYDFSMNSOWULA-UHFFFAOYSA-N 1 1 395.381 3.866 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC001356354927 1057486282 /nfs/dbraw/zinc/48/62/82/1057486282.db2.gz LUYOYNDNDMTIAE-HZPDHXFCSA-N 1 1 385.439 3.777 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC001356354927 1057486288 /nfs/dbraw/zinc/48/62/88/1057486288.db2.gz LUYOYNDNDMTIAE-HZPDHXFCSA-N 1 1 385.439 3.777 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1)CC(C)C ZINC001446746208 1059847196 /nfs/dbraw/zinc/84/71/96/1059847196.db2.gz ZQRZUJVARZULKO-UHFFFAOYSA-N 1 1 376.501 3.518 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001435562930 1062735978 /nfs/dbraw/zinc/73/59/78/1062735978.db2.gz JHZSGXZXCDPNAT-HNNXBMFYSA-N 1 1 388.237 3.508 20 5 GHBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1 ZINC001435644283 1062807068 /nfs/dbraw/zinc/80/70/68/1062807068.db2.gz QRYWNLPVROPUJV-UHFFFAOYSA-N 1 1 381.392 3.523 20 5 GHBDMO C[NH+](C)[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001435698922 1062863530 /nfs/dbraw/zinc/86/35/30/1062863530.db2.gz DVEZNLMCTYSOPY-QGZVFWFLSA-N 1 1 396.274 3.863 20 5 GHBDMO COC(=O)/C=C/c1ccc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC001458346098 1063757283 /nfs/dbraw/zinc/75/72/83/1063757283.db2.gz XBFRLBZQJUXFBC-KSEUIEODSA-N 1 1 387.480 3.990 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[N@@H+](C)C3(CCCCC3)C2)cc1C ZINC001458386773 1063777729 /nfs/dbraw/zinc/77/77/29/1063777729.db2.gz UETSJYMJUBBBKB-UHFFFAOYSA-N 1 1 375.469 3.535 20 5 GHBDMO CC(C)[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC001458486685 1063840798 /nfs/dbraw/zinc/84/07/98/1063840798.db2.gz IBBVOOWCLGQJJI-KRWDZBQOSA-N 1 1 397.504 3.946 20 5 GHBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001437770882 1063928777 /nfs/dbraw/zinc/92/87/77/1063928777.db2.gz QGBVTHBJFVTRMY-CZUORRHYSA-N 1 1 395.887 3.539 20 5 GHBDMO COc1ccc(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001349891418 1063935782 /nfs/dbraw/zinc/93/57/82/1063935782.db2.gz ILEBBMYGDNEPMY-NRFANRHFSA-N 1 1 398.463 3.637 20 5 GHBDMO CC(C)C[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001459375746 1064080297 /nfs/dbraw/zinc/08/02/97/1064080297.db2.gz DWXIRAPVHWAGAT-KRWDZBQOSA-N 1 1 376.428 3.632 20 5 GHBDMO CCOC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)CC1CC1 ZINC001459399193 1064085596 /nfs/dbraw/zinc/08/55/96/1064085596.db2.gz XVFOUTCIQBXJGE-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO CCOC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1Br)CC1CC1 ZINC001459399193 1064085605 /nfs/dbraw/zinc/08/56/05/1064085605.db2.gz XVFOUTCIQBXJGE-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1(C)C ZINC001459570347 1064131659 /nfs/dbraw/zinc/13/16/59/1064131659.db2.gz YGXZYONQRORMTR-KSSFIOAISA-N 1 1 394.859 3.934 20 5 GHBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1(C)C ZINC001459570347 1064131661 /nfs/dbraw/zinc/13/16/61/1064131661.db2.gz YGXZYONQRORMTR-KSSFIOAISA-N 1 1 394.859 3.934 20 5 GHBDMO COC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001459831959 1064236380 /nfs/dbraw/zinc/23/63/80/1064236380.db2.gz BXHKZXVMHVAWOC-OAHLLOKOSA-N 1 1 383.217 3.974 20 5 GHBDMO CC[NH+](CC)CCCC1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC001459931102 1064281220 /nfs/dbraw/zinc/28/12/20/1064281220.db2.gz MDTWAAGSFRPEPG-UHFFFAOYSA-N 1 1 391.512 3.715 20 5 GHBDMO C[N@H+]1C[C@@]23CN(C(=O)c4c([N+](=O)[O-])cccc4C(F)(F)F)C[C@]2(C1)CCCC3 ZINC001463475666 1064387757 /nfs/dbraw/zinc/38/77/57/1064387757.db2.gz SGGWENUEHCIDAL-HDICACEKSA-N 1 1 397.397 3.562 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c1 ZINC001464460748 1065024380 /nfs/dbraw/zinc/02/43/80/1065024380.db2.gz IRAHYQUPRMSFSW-UHFFFAOYSA-N 1 1 379.819 3.769 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001465915924 1065920637 /nfs/dbraw/zinc/92/06/37/1065920637.db2.gz OIFGADPVGHAGLJ-GOEBONIOSA-N 1 1 385.489 3.710 20 5 GHBDMO CCOc1cc(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001466987989 1066430560 /nfs/dbraw/zinc/43/05/60/1066430560.db2.gz CGKAEGAZCXMSLZ-MAUKXSAKSA-N 1 1 398.463 3.778 20 5 GHBDMO Cc1c(NC(=O)NCCCC[N@H+](C)C2CC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001467401913 1067277448 /nfs/dbraw/zinc/27/74/48/1067277448.db2.gz SNCDPFZGFPCZDO-UHFFFAOYSA-N 1 1 388.390 3.918 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001467403453 1067278741 /nfs/dbraw/zinc/27/87/41/1067278741.db2.gz DEBJPYVNPKNCKN-OAQYLSRUSA-N 1 1 399.466 3.790 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001467403453 1067278755 /nfs/dbraw/zinc/27/87/55/1067278755.db2.gz DEBJPYVNPKNCKN-OAQYLSRUSA-N 1 1 399.466 3.790 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001467564974 1067361679 /nfs/dbraw/zinc/36/16/79/1067361679.db2.gz IZSNPUOTWHJVHH-MRXNPFEDSA-N 1 1 377.510 3.844 20 5 GHBDMO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001468996799 1067948013 /nfs/dbraw/zinc/94/80/13/1067948013.db2.gz VEDNTLCBNLTIRZ-FGTMMUONSA-N 1 1 396.491 3.788 20 5 GHBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC001559509994 1068054638 /nfs/dbraw/zinc/05/46/38/1068054638.db2.gz QNZGIMVODYQUDR-UHFFFAOYSA-N 1 1 386.233 3.820 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001361048152 1068751557 /nfs/dbraw/zinc/75/15/57/1068751557.db2.gz RHYHVBDYZYCRDC-XXMUNEJQSA-N 1 1 393.487 3.725 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC001460277672 1068903168 /nfs/dbraw/zinc/90/31/68/1068903168.db2.gz PQODUDCSJVCULP-OAHLLOKOSA-N 1 1 381.432 3.582 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCCC[C@@H]2CO)cc1OC ZINC001460315490 1068921456 /nfs/dbraw/zinc/92/14/56/1068921456.db2.gz RWGBEFIVKJKOMH-DOTOQJQBSA-N 1 1 380.485 3.765 20 5 GHBDMO Cc1ccccc1[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001470831550 1072761420 /nfs/dbraw/zinc/76/14/20/1072761420.db2.gz VGGXOUOKTYRKJT-LJQANCHMSA-N 1 1 387.867 3.662 20 5 GHBDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC001471708868 1073190862 /nfs/dbraw/zinc/19/08/62/1073190862.db2.gz MVIYKUOICFNJAG-FQEVSTJZSA-N 1 1 399.466 3.880 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001472662233 1073603222 /nfs/dbraw/zinc/60/32/22/1073603222.db2.gz IOSICZVQOJDMCS-UHFFFAOYSA-N 1 1 386.471 3.744 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001472667233 1073605848 /nfs/dbraw/zinc/60/58/48/1073605848.db2.gz QTYLHYMXIFFMBP-FRRDWIJNSA-N 1 1 383.876 3.813 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)s1 ZINC001472821698 1073681586 /nfs/dbraw/zinc/68/15/86/1073681586.db2.gz UWTFJMLRBXUVMI-AWEZNQCLSA-N 1 1 390.465 3.831 20 5 GHBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001472821950 1073681783 /nfs/dbraw/zinc/68/17/83/1073681783.db2.gz CLHLMEBMHCIDDL-BZUAXINKSA-N 1 1 384.436 3.991 20 5 GHBDMO CC(C)Oc1nc(N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001472826059 1073683718 /nfs/dbraw/zinc/68/37/18/1073683718.db2.gz HCYLXTWDHFUSRY-GOSISDBHSA-N 1 1 384.480 3.530 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC001472851995 1073693670 /nfs/dbraw/zinc/69/36/70/1073693670.db2.gz SHMWJHPVSRPTBW-WMZOPIPTSA-N 1 1 376.460 3.745 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCCCC2 ZINC001473199183 1073852567 /nfs/dbraw/zinc/85/25/67/1073852567.db2.gz DZEVGEYFRXFRCW-RTBURBONSA-N 1 1 389.496 3.901 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](N(C)c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001473303878 1073912858 /nfs/dbraw/zinc/91/28/58/1073912858.db2.gz WTCLBFBCGDELLJ-LJQANCHMSA-N 1 1 399.491 3.891 20 5 GHBDMO Cc1noc(C[N@@H+](CCCNC(=O)OC(C)(C)C)CC2CCCC2)c1[N+](=O)[O-] ZINC001473461254 1073976515 /nfs/dbraw/zinc/97/65/15/1073976515.db2.gz QXDRRBBRHOQNPS-UHFFFAOYSA-N 1 1 396.488 3.798 20 5 GHBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525793 1074000828 /nfs/dbraw/zinc/00/08/28/1074000828.db2.gz GVCXCIYMXPAZCL-MOPGFXCFSA-N 1 1 383.448 3.711 20 5 GHBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525793 1074000839 /nfs/dbraw/zinc/00/08/39/1074000839.db2.gz GVCXCIYMXPAZCL-MOPGFXCFSA-N 1 1 383.448 3.711 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001473641754 1074063358 /nfs/dbraw/zinc/06/33/58/1074063358.db2.gz VBJZLTXASVAIHK-ZUIJCZDSSA-N 1 1 375.469 3.953 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001479444681 1079208307 /nfs/dbraw/zinc/20/83/07/1079208307.db2.gz FOVNTWCYMCQOJM-KRWDZBQOSA-N 1 1 390.528 3.852 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001473773639 1074135562 /nfs/dbraw/zinc/13/55/62/1074135562.db2.gz XEGUVPITEKVYEV-HUUCEWRRSA-N 1 1 385.468 3.648 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001473773639 1074135565 /nfs/dbraw/zinc/13/55/65/1074135565.db2.gz XEGUVPITEKVYEV-HUUCEWRRSA-N 1 1 385.468 3.648 20 5 GHBDMO COc1ccc(OCC[N@H+]2Cc3ccccc3OC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC001473786914 1074142401 /nfs/dbraw/zinc/14/24/01/1074142401.db2.gz RXELSZNWYFZYIC-UHFFFAOYSA-N 1 1 384.432 3.800 20 5 GHBDMO CC1(C)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1c1ccccc1 ZINC001473836411 1074166455 /nfs/dbraw/zinc/16/64/55/1074166455.db2.gz DHRGSPAMEMXLKB-HXUWFJFHSA-N 1 1 393.487 4.000 20 5 GHBDMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(C)C ZINC001496124513 1079457425 /nfs/dbraw/zinc/45/74/25/1079457425.db2.gz UOPBZPTXGOZPTO-INIZCTEOSA-N 1 1 388.516 3.676 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001659938228 1126263727 /nfs/dbraw/zinc/26/37/27/1126263727.db2.gz FHMMWLKWRZWKAM-GDBMZVCRSA-N 1 1 388.773 3.872 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(CNc3[nH+]cccc3N3CCOCC3)cs2)c1 ZINC000359865620 206265785 /nfs/dbraw/zinc/26/57/85/206265785.db2.gz GQLMAHUQGKHBMJ-UHFFFAOYSA-N 1 1 397.460 3.562 20 5 GHBDMO CC(C)Oc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164628838 719102269 /nfs/dbraw/zinc/10/22/69/719102269.db2.gz OZEQCODMVARQPJ-ICSRJNTNSA-N 1 1 396.491 3.878 20 5 GHBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164862367 720949528 /nfs/dbraw/zinc/94/95/28/720949528.db2.gz VEQIOSITMHDRSM-ZDUSSCGKSA-N 1 1 392.891 3.570 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000511481131 837612649 /nfs/dbraw/zinc/61/26/49/837612649.db2.gz YUGYJKQJLNDHGQ-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000511481131 837612651 /nfs/dbraw/zinc/61/26/51/837612651.db2.gz YUGYJKQJLNDHGQ-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(N2CCCC2)[nH+]1 ZINC000120148296 834666812 /nfs/dbraw/zinc/66/68/12/834666812.db2.gz AUTYFCXWFYDIPM-UHFFFAOYSA-N 1 1 383.452 3.837 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000544060129 834718723 /nfs/dbraw/zinc/71/87/23/834718723.db2.gz QLBMERDVHNGPEV-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000544060129 834718729 /nfs/dbraw/zinc/71/87/29/834718729.db2.gz QLBMERDVHNGPEV-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000472324953 834871441 /nfs/dbraw/zinc/87/14/41/834871441.db2.gz XDBBPNBQMBSLJB-AEFFLSMTSA-N 1 1 395.459 3.846 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000480520342 834884288 /nfs/dbraw/zinc/88/42/88/834884288.db2.gz RZOILMRMKVKJFE-SFHVURJKSA-N 1 1 388.512 3.897 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CC1 ZINC000480523012 834887610 /nfs/dbraw/zinc/88/76/10/834887610.db2.gz DGGLIKFDOKXSCW-OAQYLSRUSA-N 1 1 394.475 3.802 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](Nc4ncccn4)C3)o2)c(Cl)c1 ZINC000583753915 834984402 /nfs/dbraw/zinc/98/44/02/834984402.db2.gz QUOHURIYRWAHSZ-CYBMUJFWSA-N 1 1 399.838 3.985 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472333336 835048050 /nfs/dbraw/zinc/04/80/50/835048050.db2.gz BWJGSUKPZRKVDQ-BQFCYCMXSA-N 1 1 397.475 3.884 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000430209450 835119119 /nfs/dbraw/zinc/11/91/19/835119119.db2.gz XXIHPOSPOQGTKJ-GOSISDBHSA-N 1 1 380.448 3.926 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000278552033 835379503 /nfs/dbraw/zinc/37/95/03/835379503.db2.gz ZJHGCRNYYVTSKV-APWZRJJASA-N 1 1 389.383 3.994 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000612101652 835478090 /nfs/dbraw/zinc/47/80/90/835478090.db2.gz CUIYYIZDUCTUJC-CRAIPNDOSA-N 1 1 397.431 3.703 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000612101652 835478091 /nfs/dbraw/zinc/47/80/91/835478091.db2.gz CUIYYIZDUCTUJC-CRAIPNDOSA-N 1 1 397.431 3.703 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000612131696 835580690 /nfs/dbraw/zinc/58/06/90/835580690.db2.gz BUOLXGFIYGOTTC-HMXCVIKNSA-N 1 1 379.460 3.625 20 5 GHBDMO Cc1sc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1[N+](=O)[O-] ZINC000612132216 835581941 /nfs/dbraw/zinc/58/19/41/835581941.db2.gz HWVBPDCXSSOISL-FGTMMUONSA-N 1 1 399.516 3.995 20 5 GHBDMO C[C@H](c1cccc(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000278624627 835582323 /nfs/dbraw/zinc/58/23/23/835582323.db2.gz GBSFCRDANLJRME-CQSZACIVSA-N 1 1 386.408 3.508 20 5 GHBDMO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000509420035 835717634 /nfs/dbraw/zinc/71/76/34/835717634.db2.gz WTSVDBHCNACINA-HNNXBMFYSA-N 1 1 376.384 3.537 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[C@@H]1c1ccccc1 ZINC000179471173 835734998 /nfs/dbraw/zinc/73/49/98/835734998.db2.gz KAAAWHRCQNZZDY-SFTDATJTSA-N 1 1 394.475 3.714 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000535615825 835780768 /nfs/dbraw/zinc/78/07/68/835780768.db2.gz GJROJQWZXWQBPV-HZPDHXFCSA-N 1 1 385.464 3.741 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000278690565 835809557 /nfs/dbraw/zinc/80/95/57/835809557.db2.gz PRNJLDWRDWHYBN-UHFFFAOYSA-N 1 1 384.436 3.990 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000500861372 844096148 /nfs/dbraw/zinc/09/61/48/844096148.db2.gz JLJXDQNVZRVCOB-LPHOPBHVSA-N 1 1 392.459 3.501 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614191453 835912075 /nfs/dbraw/zinc/91/20/75/835912075.db2.gz CMBSDMVNGPODNJ-YJBOKZPZSA-N 1 1 380.448 3.736 20 5 GHBDMO CCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000179639461 835917709 /nfs/dbraw/zinc/91/77/09/835917709.db2.gz VGMFGSFQGQAIFB-MRXNPFEDSA-N 1 1 394.518 3.722 20 5 GHBDMO CCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000179639461 835917713 /nfs/dbraw/zinc/91/77/13/835917713.db2.gz VGMFGSFQGQAIFB-MRXNPFEDSA-N 1 1 394.518 3.722 20 5 GHBDMO Cn1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C2CCCCC2)n1 ZINC000612399038 836169847 /nfs/dbraw/zinc/16/98/47/836169847.db2.gz ATTYBKZCWWVJOR-UHFFFAOYSA-N 1 1 383.496 3.698 20 5 GHBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000176111085 844141026 /nfs/dbraw/zinc/14/10/26/844141026.db2.gz XDZRQWHLCYFAHI-APWZRJJASA-N 1 1 397.475 3.776 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@]1(c2ccccc2)CCCCC1=O ZINC000411599702 836228859 /nfs/dbraw/zinc/22/88/59/836228859.db2.gz CIMDEVRKUHFLGC-JOCHJYFZSA-N 1 1 395.459 3.894 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCN(c2ccccc2)CC1 ZINC000411662277 836274083 /nfs/dbraw/zinc/27/40/83/836274083.db2.gz FQSWXNBUVFSLKQ-UHFFFAOYSA-N 1 1 382.464 3.524 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247053440 836675160 /nfs/dbraw/zinc/67/51/60/836675160.db2.gz NRGBIDNJUYUVHI-NVXWUHKLSA-N 1 1 376.501 3.776 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000177656656 836962093 /nfs/dbraw/zinc/96/20/93/836962093.db2.gz OFMUMBXZBWVQQP-INIZCTEOSA-N 1 1 387.867 3.842 20 5 GHBDMO COc1cc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c([N+](=O)[O-])cc1F ZINC000452062566 837369848 /nfs/dbraw/zinc/36/98/48/837369848.db2.gz SXVAMUMEZNVQMC-KRWDZBQOSA-N 1 1 380.441 3.798 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109764183 837842361 /nfs/dbraw/zinc/84/23/61/837842361.db2.gz JMSIPTZQRQSJOJ-AWEZNQCLSA-N 1 1 393.447 3.678 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)s1 ZINC000177121583 837867625 /nfs/dbraw/zinc/86/76/25/837867625.db2.gz FFOLGBPPFMBSOY-UHFFFAOYSA-N 1 1 386.477 3.678 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000177147844 837891734 /nfs/dbraw/zinc/89/17/34/837891734.db2.gz TWGNFNZILBFAMI-IBGZPJMESA-N 1 1 397.475 3.565 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177533570 838008716 /nfs/dbraw/zinc/00/87/16/838008716.db2.gz TUSHJIAGJONSLP-YJBOKZPZSA-N 1 1 383.448 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(c4ccncn4)CC3)cs2)c1 ZINC000414466768 838392123 /nfs/dbraw/zinc/39/21/23/838392123.db2.gz CLNJAEODLHHLPN-UHFFFAOYSA-N 1 1 381.461 3.888 20 5 GHBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181488802 838545869 /nfs/dbraw/zinc/54/58/69/838545869.db2.gz UIKYTBYUSZLDNN-OLZOCXBDSA-N 1 1 399.413 3.996 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188152806 838562782 /nfs/dbraw/zinc/56/27/82/838562782.db2.gz IMAZSABNFNVUNI-AWEZNQCLSA-N 1 1 379.526 3.947 20 5 GHBDMO C[C@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000472954299 838746524 /nfs/dbraw/zinc/74/65/24/838746524.db2.gz BKBKCCVGWUKSGJ-IRXDYDNUSA-N 1 1 384.480 3.866 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000549153276 839072327 /nfs/dbraw/zinc/07/23/27/839072327.db2.gz HOEWWYNUBRPMGW-YRPNKDGESA-N 1 1 382.460 3.745 20 5 GHBDMO COc1ccc(-c2ccc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000415053481 839122317 /nfs/dbraw/zinc/12/23/17/839122317.db2.gz ORJXFDCKVNTSMH-BEFAXECRSA-N 1 1 385.464 3.827 20 5 GHBDMO Cc1ccc(C2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cn1 ZINC000377245362 839177066 /nfs/dbraw/zinc/17/70/66/839177066.db2.gz ZLQXXEUCYFEHJM-UHFFFAOYSA-N 1 1 379.420 3.728 20 5 GHBDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173512855 839407984 /nfs/dbraw/zinc/40/79/84/839407984.db2.gz FVLZEOQCONLYED-UHFFFAOYSA-N 1 1 394.479 3.536 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000549232768 839424639 /nfs/dbraw/zinc/42/46/39/839424639.db2.gz GZBNJFISWVWYEJ-LJQANCHMSA-N 1 1 381.476 3.936 20 5 GHBDMO Cc1cn(C[N@@H+]2CCC[C@H]2c2ccccc2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728706652 839973522 /nfs/dbraw/zinc/97/35/22/839973522.db2.gz MCIATORCBHACAS-SFHVURJKSA-N 1 1 378.432 3.650 20 5 GHBDMO Cc1cn(C[N@H+]2CCC[C@H]2c2ccccc2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728706652 839973535 /nfs/dbraw/zinc/97/35/35/839973535.db2.gz MCIATORCBHACAS-SFHVURJKSA-N 1 1 378.432 3.650 20 5 GHBDMO Cc1ccc(N2CCC(NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)[nH+]c1 ZINC000119895842 839976295 /nfs/dbraw/zinc/97/62/95/839976295.db2.gz QNTUVXFCMJLEFE-UHFFFAOYSA-N 1 1 383.452 3.706 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000511801180 840804757 /nfs/dbraw/zinc/80/47/57/840804757.db2.gz GRWIGFYNMWRKLI-HXUWFJFHSA-N 1 1 381.476 3.554 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c2ncccc12 ZINC000302061151 861194653 /nfs/dbraw/zinc/19/46/53/861194653.db2.gz SYIFGRROTVXQTQ-GOSISDBHSA-N 1 1 392.459 3.712 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCN(C)c1ccccc1 ZINC000107682977 841429347 /nfs/dbraw/zinc/42/93/47/841429347.db2.gz UUNSLGKKMBFLOF-OAHLLOKOSA-N 1 1 381.436 3.774 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCN(C)c1ccccc1 ZINC000107682977 841429356 /nfs/dbraw/zinc/42/93/56/841429356.db2.gz UUNSLGKKMBFLOF-OAHLLOKOSA-N 1 1 381.436 3.774 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000125384361 841500861 /nfs/dbraw/zinc/50/08/61/841500861.db2.gz LSGPYUMEKPEIQU-UHFFFAOYSA-N 1 1 388.855 3.561 20 5 GHBDMO NC(=O)c1ccc(C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000500170259 841566463 /nfs/dbraw/zinc/56/64/63/841566463.db2.gz UZDIPBNHJITZLG-UHFFFAOYSA-N 1 1 391.830 3.808 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)c1ccccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000181786608 841816757 /nfs/dbraw/zinc/81/67/57/841816757.db2.gz RKMOCZRHAKQTIR-QWHCGFSZSA-N 1 1 397.460 3.791 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000015049190 841823044 /nfs/dbraw/zinc/82/30/44/841823044.db2.gz FLXWUYJKXMFJDH-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000015049190 841823059 /nfs/dbraw/zinc/82/30/59/841823059.db2.gz FLXWUYJKXMFJDH-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000121429165 841966394 /nfs/dbraw/zinc/96/63/94/841966394.db2.gz XPQHRHVSDKBCRV-ZIAGYGMSSA-N 1 1 387.411 3.595 20 5 GHBDMO COc1cc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000599513009 861269409 /nfs/dbraw/zinc/26/94/09/861269409.db2.gz PIRZQRJERVGEDZ-UWVGGRQHSA-N 1 1 380.338 3.928 20 5 GHBDMO COc1cc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000599516205 861275119 /nfs/dbraw/zinc/27/51/19/861275119.db2.gz YECWQLRRDAJYBC-GHMZBOCLSA-N 1 1 394.365 3.970 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 ZINC000112076253 842181624 /nfs/dbraw/zinc/18/16/24/842181624.db2.gz WXBCSBCPMMCZNZ-UHFFFAOYSA-N 1 1 396.491 3.895 20 5 GHBDMO CCS[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112090321 842182296 /nfs/dbraw/zinc/18/22/96/842182296.db2.gz BYPSENXMLLZXIT-DZGCQCFKSA-N 1 1 381.498 3.538 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3Cc3ccc(F)cc3)n2)c1 ZINC000055908383 842288525 /nfs/dbraw/zinc/28/85/25/842288525.db2.gz RNUQVEFKUFTYOL-KRWDZBQOSA-N 1 1 382.395 3.991 20 5 GHBDMO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000093640769 842305549 /nfs/dbraw/zinc/30/55/49/842305549.db2.gz MRHXIGDJPIJWTM-OAQYLSRUSA-N 1 1 394.475 3.859 20 5 GHBDMO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000278977115 842409797 /nfs/dbraw/zinc/40/97/97/842409797.db2.gz QQKGSCYFECFFLZ-VIFPVBQESA-N 1 1 388.371 3.750 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000134656681 842420290 /nfs/dbraw/zinc/42/02/90/842420290.db2.gz SGUHXXYMHONEKN-JKSUJKDBSA-N 1 1 393.484 3.741 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000050034616 842492409 /nfs/dbraw/zinc/49/24/09/842492409.db2.gz JXSXZVVKDDHRMD-HNNXBMFYSA-N 1 1 388.493 3.998 20 5 GHBDMO COc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1OC(C)C ZINC000510487381 842531034 /nfs/dbraw/zinc/53/10/34/842531034.db2.gz FTPALQZURCTNHG-UHFFFAOYSA-N 1 1 385.464 3.713 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])cc1OCC(F)F ZINC000599552482 861322659 /nfs/dbraw/zinc/32/26/59/861322659.db2.gz DNMHBWIOMBIVEB-OLZOCXBDSA-N 1 1 388.436 3.717 20 5 GHBDMO COc1c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000474893952 861325989 /nfs/dbraw/zinc/32/59/89/861325989.db2.gz AIEFRSFYKQLCCN-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000603890071 861336870 /nfs/dbraw/zinc/33/68/70/861336870.db2.gz OBLKEQSDOCGAFA-HKUYNNGSSA-N 1 1 395.459 3.695 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000510665453 843153700 /nfs/dbraw/zinc/15/37/00/843153700.db2.gz HWKRDWJCKZBMCW-QGZVFWFLSA-N 1 1 398.381 3.528 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000510665451 843154025 /nfs/dbraw/zinc/15/40/25/843154025.db2.gz HWKRDWJCKZBMCW-KRWDZBQOSA-N 1 1 398.381 3.528 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430913433 843181884 /nfs/dbraw/zinc/18/18/84/843181884.db2.gz VBLDNDQVTQIOCZ-DYESRHJHSA-N 1 1 397.475 3.646 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430913433 843181891 /nfs/dbraw/zinc/18/18/91/843181891.db2.gz VBLDNDQVTQIOCZ-DYESRHJHSA-N 1 1 397.475 3.646 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)nc2c1 ZINC000512245631 843206202 /nfs/dbraw/zinc/20/62/02/843206202.db2.gz RAABMNNBGUYVDD-QFIPXVFZSA-N 1 1 391.475 3.569 20 5 GHBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000010165405 843279682 /nfs/dbraw/zinc/27/96/82/843279682.db2.gz MCEAFXKDDBEGCN-UHFFFAOYSA-N 1 1 394.475 3.517 20 5 GHBDMO Cc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000893589534 843419038 /nfs/dbraw/zinc/41/90/38/843419038.db2.gz KBHOXJDXTNWUHI-SFHVURJKSA-N 1 1 376.460 3.807 20 5 GHBDMO Cc1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000893589534 843419039 /nfs/dbraw/zinc/41/90/39/843419039.db2.gz KBHOXJDXTNWUHI-SFHVURJKSA-N 1 1 376.460 3.807 20 5 GHBDMO CCOCC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000056178500 861444760 /nfs/dbraw/zinc/44/47/60/861444760.db2.gz FXFXMMYSEYNGBL-QGZVFWFLSA-N 1 1 377.828 3.554 20 5 GHBDMO Cc1cc(N2CCC(Nc3ccnc4c3cccc4[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000432328653 843700558 /nfs/dbraw/zinc/70/05/58/843700558.db2.gz XRBGKMYQPQGQHZ-UHFFFAOYSA-N 1 1 378.436 3.631 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](Oc4ccccc4)C3)n2)cc1 ZINC000419306109 843960468 /nfs/dbraw/zinc/96/04/68/843960468.db2.gz AEJSYDIGAAWINL-GOSISDBHSA-N 1 1 380.404 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](Oc4ccccc4)C3)n2)cc1 ZINC000419306109 843960472 /nfs/dbraw/zinc/96/04/72/843960472.db2.gz AEJSYDIGAAWINL-GOSISDBHSA-N 1 1 380.404 3.688 20 5 GHBDMO CCCCCC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000512587239 844665370 /nfs/dbraw/zinc/66/53/70/844665370.db2.gz OOLNQHZWTFTRJE-UHFFFAOYSA-N 1 1 377.485 3.654 20 5 GHBDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000126124934 844718182 /nfs/dbraw/zinc/71/81/82/844718182.db2.gz JLYNFDYAJLORIW-FQEVSTJZSA-N 1 1 383.448 3.614 20 5 GHBDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000126124934 844718187 /nfs/dbraw/zinc/71/81/87/844718187.db2.gz JLYNFDYAJLORIW-FQEVSTJZSA-N 1 1 383.448 3.614 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c2c(c1)COCO2 ZINC000052865649 844851581 /nfs/dbraw/zinc/85/15/81/844851581.db2.gz RCYQSYZJCKRBJE-HXUWFJFHSA-N 1 1 384.432 3.643 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c2c(c1)COCO2 ZINC000052865649 844851583 /nfs/dbraw/zinc/85/15/83/844851583.db2.gz RCYQSYZJCKRBJE-HXUWFJFHSA-N 1 1 384.432 3.643 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433062983 845110658 /nfs/dbraw/zinc/11/06/58/845110658.db2.gz QUTOSPCUNZIONT-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433062983 845110665 /nfs/dbraw/zinc/11/06/65/845110665.db2.gz QUTOSPCUNZIONT-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000513248919 845119054 /nfs/dbraw/zinc/11/90/54/845119054.db2.gz KGAFFOAQSUHACO-VQIMIIECSA-N 1 1 399.516 3.856 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000128883009 845178172 /nfs/dbraw/zinc/17/81/72/845178172.db2.gz ZFBQZCHTYKIPJL-DLBZAZTESA-N 1 1 376.501 3.631 20 5 GHBDMO COc1ccccc1O[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000513381472 845315515 /nfs/dbraw/zinc/31/55/15/845315515.db2.gz RJEIMQYISWQMBT-HNNXBMFYSA-N 1 1 383.404 3.788 20 5 GHBDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000513381472 845315548 /nfs/dbraw/zinc/31/55/48/845315548.db2.gz RJEIMQYISWQMBT-HNNXBMFYSA-N 1 1 383.404 3.788 20 5 GHBDMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000171139332 861577681 /nfs/dbraw/zinc/57/76/81/861577681.db2.gz HLHMZYARWYVIBE-NSHDSACASA-N 1 1 393.827 3.555 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000182856945 845579880 /nfs/dbraw/zinc/57/98/80/845579880.db2.gz JDKICQHPTRUXSL-AWEZNQCLSA-N 1 1 383.477 3.791 20 5 GHBDMO C[C@@H](C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000182929742 845647378 /nfs/dbraw/zinc/64/73/78/845647378.db2.gz UGIJRSXCHYSMEV-PBHICJAKSA-N 1 1 383.423 3.849 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000599773150 861621639 /nfs/dbraw/zinc/62/16/39/861621639.db2.gz FXIZXSOESAHORL-KRWDZBQOSA-N 1 1 398.463 3.616 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000599773150 861621645 /nfs/dbraw/zinc/62/16/45/861621645.db2.gz FXIZXSOESAHORL-KRWDZBQOSA-N 1 1 398.463 3.616 20 5 GHBDMO CC[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000582099376 846353764 /nfs/dbraw/zinc/35/37/64/846353764.db2.gz GBLLLNMGNCHDCV-JXFKEZNVSA-N 1 1 381.476 3.651 20 5 GHBDMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511076497 846386042 /nfs/dbraw/zinc/38/60/42/846386042.db2.gz XNYKGFFKAIPLQW-NOCBQHASSA-N 1 1 385.508 3.543 20 5 GHBDMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511076497 846386049 /nfs/dbraw/zinc/38/60/49/846386049.db2.gz XNYKGFFKAIPLQW-NOCBQHASSA-N 1 1 385.508 3.543 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000500984892 846521711 /nfs/dbraw/zinc/52/17/11/846521711.db2.gz YFKWTRASTMKJQX-UHFFFAOYSA-N 1 1 387.505 3.742 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000500984892 846521717 /nfs/dbraw/zinc/52/17/17/846521717.db2.gz YFKWTRASTMKJQX-UHFFFAOYSA-N 1 1 387.505 3.742 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)c2cccnc21 ZINC000413080457 846533151 /nfs/dbraw/zinc/53/31/51/846533151.db2.gz OQLJSGGGZMWQMO-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO Cc1nsc(N2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000131804779 861708770 /nfs/dbraw/zinc/70/87/70/861708770.db2.gz LYTBJTGFHCEODG-UHFFFAOYSA-N 1 1 399.476 3.727 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000513708777 846731786 /nfs/dbraw/zinc/73/17/86/846731786.db2.gz XFQBWEVWDXLUQW-LJQANCHMSA-N 1 1 397.504 3.585 20 5 GHBDMO C[N@@H+](CCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000548717032 846745425 /nfs/dbraw/zinc/74/54/25/846745425.db2.gz DOSFOYAUPNASRJ-IBGZPJMESA-N 1 1 377.510 3.823 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000501261229 846775345 /nfs/dbraw/zinc/77/53/45/846775345.db2.gz YVBGUFNTDIGHHI-GDBMZVCRSA-N 1 1 385.489 3.882 20 5 GHBDMO CCN(C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000511106611 846996534 /nfs/dbraw/zinc/99/65/34/846996534.db2.gz LUODYCPWPPBJNS-INIZCTEOSA-N 1 1 387.455 3.818 20 5 GHBDMO CCN(C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000511106611 846996541 /nfs/dbraw/zinc/99/65/41/846996541.db2.gz LUODYCPWPPBJNS-INIZCTEOSA-N 1 1 387.455 3.818 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3C)CC[N@H+]2C2CC2)c1 ZINC000183278522 847026837 /nfs/dbraw/zinc/02/68/37/847026837.db2.gz SBSFGDMUDAHNGA-LEWJYISDSA-N 1 1 395.459 3.620 20 5 GHBDMO CCC[N@@H+](CCc1cccc(F)c1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000303561263 861787093 /nfs/dbraw/zinc/78/70/93/861787093.db2.gz IEVGPCYLIQFLEH-UHFFFAOYSA-N 1 1 389.427 3.636 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509151851 861802145 /nfs/dbraw/zinc/80/21/45/861802145.db2.gz LLPUJOVERNKGBY-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509151851 861802166 /nfs/dbraw/zinc/80/21/66/861802166.db2.gz LLPUJOVERNKGBY-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000479378726 847628763 /nfs/dbraw/zinc/62/87/63/847628763.db2.gz QKHIPNIUCJRWPS-SFHVURJKSA-N 1 1 387.867 3.572 20 5 GHBDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000421035999 847636475 /nfs/dbraw/zinc/63/64/75/847636475.db2.gz ZSYJSGQGTLMUFV-STQMWFEESA-N 1 1 375.425 3.536 20 5 GHBDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000421035999 847636481 /nfs/dbraw/zinc/63/64/81/847636481.db2.gz ZSYJSGQGTLMUFV-STQMWFEESA-N 1 1 375.425 3.536 20 5 GHBDMO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[NH+](C2CCCC2)CC1 ZINC000277711816 847668186 /nfs/dbraw/zinc/66/81/86/847668186.db2.gz ISMBXYDDPVBWJF-UHFFFAOYSA-N 1 1 375.472 3.794 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000131965774 861853310 /nfs/dbraw/zinc/85/33/10/861853310.db2.gz SPTHROPOTKHABI-LJQANCHMSA-N 1 1 398.463 3.819 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c(F)c1 ZINC000479975602 848002108 /nfs/dbraw/zinc/00/21/08/848002108.db2.gz BTQWDZHTHOJCHI-UHFFFAOYSA-N 1 1 397.406 3.877 20 5 GHBDMO C[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000611704861 848039335 /nfs/dbraw/zinc/03/93/35/848039335.db2.gz CWPSQQZSTPWKFV-INIZCTEOSA-N 1 1 377.448 3.639 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000187805518 848274507 /nfs/dbraw/zinc/27/45/07/848274507.db2.gz RIJJNMVBJYJSDP-CYBMUJFWSA-N 1 1 377.466 3.557 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612131471 848495569 /nfs/dbraw/zinc/49/55/69/848495569.db2.gz BZYITHRKUQTSPO-ILWGZMRPSA-N 1 1 393.487 3.554 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612132290 848495776 /nfs/dbraw/zinc/49/57/76/848495776.db2.gz JBAGDMIACGYULC-YUXAGFNASA-N 1 1 393.487 3.934 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000582918504 848695091 /nfs/dbraw/zinc/69/50/91/848695091.db2.gz DTBJSIDEQYOYFL-UHFFFAOYSA-N 1 1 397.504 3.735 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000582918504 848695094 /nfs/dbraw/zinc/69/50/94/848695094.db2.gz DTBJSIDEQYOYFL-UHFFFAOYSA-N 1 1 397.504 3.735 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000732075119 862067557 /nfs/dbraw/zinc/06/75/57/862067557.db2.gz ZDUMCGQPXKGUBI-QNYYUSOESA-N 1 1 381.432 3.640 20 5 GHBDMO Cc1c(C[N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000522553275 862076289 /nfs/dbraw/zinc/07/62/89/862076289.db2.gz KDVIIBAUTXONDZ-HNNXBMFYSA-N 1 1 398.381 3.794 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000486782662 850089832 /nfs/dbraw/zinc/08/98/32/850089832.db2.gz ZFBHUZXMUYPAJZ-UHFFFAOYSA-N 1 1 377.510 3.653 20 5 GHBDMO Cc1c(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000504737197 850264399 /nfs/dbraw/zinc/26/43/99/850264399.db2.gz JANHTOIESRIKGJ-UHFFFAOYSA-N 1 1 382.464 3.862 20 5 GHBDMO COc1ccc(CN(C)[C@H]2CCC[NH2+]CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435433167 850491573 /nfs/dbraw/zinc/49/15/73/850491573.db2.gz QNOKTGIRNLGXDB-IBGZPJMESA-N 1 1 399.491 3.756 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000506702654 850506115 /nfs/dbraw/zinc/50/61/15/850506115.db2.gz QALDNSBRMORDBU-MRXNPFEDSA-N 1 1 391.537 3.901 20 5 GHBDMO O=C(NC1CC1)c1ccc(NC[C@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000435589614 850678236 /nfs/dbraw/zinc/67/82/36/850678236.db2.gz RCOSYWWCRMFLHQ-GOSISDBHSA-N 1 1 386.496 3.696 20 5 GHBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000425396185 850708708 /nfs/dbraw/zinc/70/87/08/850708708.db2.gz APTZQJKQQDWEMC-INIZCTEOSA-N 1 1 379.254 3.913 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000425396185 850708715 /nfs/dbraw/zinc/70/87/15/850708715.db2.gz APTZQJKQQDWEMC-INIZCTEOSA-N 1 1 379.254 3.913 20 5 GHBDMO CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515251348 850818557 /nfs/dbraw/zinc/81/85/57/850818557.db2.gz SRSXSDQSDKZBLF-GOSISDBHSA-N 1 1 378.856 3.899 20 5 GHBDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000150087467 850946215 /nfs/dbraw/zinc/94/62/15/850946215.db2.gz RBESIFRKYSNSJK-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000150087467 850946220 /nfs/dbraw/zinc/94/62/20/850946220.db2.gz RBESIFRKYSNSJK-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO CO[C@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000514085505 851222427 /nfs/dbraw/zinc/22/24/27/851222427.db2.gz XJDCIQIUWISIKQ-NVXWUHKLSA-N 1 1 376.844 3.517 20 5 GHBDMO COc1ccc(C[NH2+][C@H](CCO)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000514243707 851465257 /nfs/dbraw/zinc/46/52/57/851465257.db2.gz WROLQCPXAQENBY-OAHLLOKOSA-N 1 1 395.253 3.579 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488437982 851503015 /nfs/dbraw/zinc/50/30/15/851503015.db2.gz FLQMCOKWLDTMPW-UHFFFAOYSA-N 1 1 385.411 3.533 20 5 GHBDMO COCC[N@H+](Cc1ccc(C)cc1C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000604493370 862252314 /nfs/dbraw/zinc/25/23/14/862252314.db2.gz BMBXUYSICSYIAJ-UHFFFAOYSA-N 1 1 386.448 3.727 20 5 GHBDMO COCC[N@@H+](Cc1ccc(C)cc1C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000604493370 862252335 /nfs/dbraw/zinc/25/23/35/862252335.db2.gz BMBXUYSICSYIAJ-UHFFFAOYSA-N 1 1 386.448 3.727 20 5 GHBDMO CC(C)c1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000473696677 851700441 /nfs/dbraw/zinc/70/04/41/851700441.db2.gz PCDAKCQWJROXGY-UHFFFAOYSA-N 1 1 387.505 3.780 20 5 GHBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000488965177 851898328 /nfs/dbraw/zinc/89/83/28/851898328.db2.gz CFNWKRQMTMSXSG-INIZCTEOSA-N 1 1 384.480 3.650 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000517641314 852198914 /nfs/dbraw/zinc/19/89/14/852198914.db2.gz MIZQOQJFMVFIMQ-UHFFFAOYSA-N 1 1 394.475 3.706 20 5 GHBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000516221483 852282290 /nfs/dbraw/zinc/28/22/90/852282290.db2.gz ZJZPQMPRYFKQOX-JKSUJKDBSA-N 1 1 399.495 3.621 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[N@H+]1C ZINC000438490099 852477485 /nfs/dbraw/zinc/47/74/85/852477485.db2.gz KJJSYURFRHQVGY-ZBFHGGJFSA-N 1 1 384.436 3.991 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438500570 852491133 /nfs/dbraw/zinc/49/11/33/852491133.db2.gz QYZUVNDVZMOOSV-OAQYLSRUSA-N 1 1 383.448 3.596 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cnn(C)c2C)cc1OC ZINC000543518338 862372339 /nfs/dbraw/zinc/37/23/39/862372339.db2.gz OGAVWLUCADYQCR-ZIAGYGMSSA-N 1 1 390.484 3.921 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489895153 852629118 /nfs/dbraw/zinc/62/91/18/852629118.db2.gz XMUYEUQCKNKKDD-VQIMIIECSA-N 1 1 382.464 3.538 20 5 GHBDMO COCCOc1ccccc1N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000489978554 852703185 /nfs/dbraw/zinc/70/31/85/852703185.db2.gz GIYFXZJQFHTEDL-KRWDZBQOSA-N 1 1 385.464 3.503 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]CCS(=O)(=O)c2ccccc2)c2ccccc2)c1 ZINC000490184674 852794535 /nfs/dbraw/zinc/79/45/35/852794535.db2.gz NBRQYDZDFQRBIH-OAQYLSRUSA-N 1 1 396.468 3.748 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000516759273 852988323 /nfs/dbraw/zinc/98/83/23/852988323.db2.gz WGGWSFYGONJQTM-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO COc1ccc(CNC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000518269806 853143393 /nfs/dbraw/zinc/14/33/93/853143393.db2.gz NMMQNQWWLUXVIP-NRFANRHFSA-N 1 1 383.492 3.776 20 5 GHBDMO COc1ccc(CNC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000518269806 853143396 /nfs/dbraw/zinc/14/33/96/853143396.db2.gz NMMQNQWWLUXVIP-NRFANRHFSA-N 1 1 383.492 3.776 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000437516139 853217652 /nfs/dbraw/zinc/21/76/52/853217652.db2.gz RIIZLXQSEXAEHG-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000437516139 853217658 /nfs/dbraw/zinc/21/76/58/853217658.db2.gz RIIZLXQSEXAEHG-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729479900 853370760 /nfs/dbraw/zinc/37/07/60/853370760.db2.gz GLCKFTQUMWTYCJ-MRXNPFEDSA-N 1 1 393.484 3.825 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000491159966 853474746 /nfs/dbraw/zinc/47/47/46/853474746.db2.gz FRTSHGMASCTMOL-WFASDCNBSA-N 1 1 386.477 3.777 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000763989730 862495115 /nfs/dbraw/zinc/49/51/15/862495115.db2.gz AEFZFUOEGPFTES-FQELHTAISA-N 1 1 398.459 3.943 20 5 GHBDMO COc1cc(C[N@@H+](C)C2Cc3ccccc3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000141198449 853880541 /nfs/dbraw/zinc/88/05/41/853880541.db2.gz VLTQJDMZFXOBJU-UHFFFAOYSA-N 1 1 378.375 3.804 20 5 GHBDMO C[C@H](NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458892940 854472704 /nfs/dbraw/zinc/47/27/04/854472704.db2.gz WAYKZHPIZMVPTK-UWJYYQICSA-N 1 1 396.491 3.962 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000301458854 854747213 /nfs/dbraw/zinc/74/72/13/854747213.db2.gz ZLRRZDPKESILDX-ACJLOTCBSA-N 1 1 388.493 3.511 20 5 GHBDMO C[N@H+](Cc1ccsc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589252748 854760830 /nfs/dbraw/zinc/76/08/30/854760830.db2.gz NYUILUXSQJHTME-UHFFFAOYSA-N 1 1 388.230 3.893 20 5 GHBDMO C[N@@H+](Cc1ccsc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589252748 854760833 /nfs/dbraw/zinc/76/08/33/854760833.db2.gz NYUILUXSQJHTME-UHFFFAOYSA-N 1 1 388.230 3.893 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000589309179 854802519 /nfs/dbraw/zinc/80/25/19/854802519.db2.gz SPBJMLNHBRCYDM-UHFFFAOYSA-N 1 1 392.580 3.736 20 5 GHBDMO Cc1c(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000589314914 854805379 /nfs/dbraw/zinc/80/53/79/854805379.db2.gz IZFNJKWLKJWHJX-RTBURBONSA-N 1 1 394.475 3.889 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000589372393 854812518 /nfs/dbraw/zinc/81/25/18/854812518.db2.gz CJTBINFXMLWFDJ-UHFFFAOYSA-N 1 1 383.452 3.783 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2Cc2cccc(OC)c2)c1 ZINC000589497448 854910492 /nfs/dbraw/zinc/91/04/92/854910492.db2.gz XBZYWADLLLMWQN-SFHVURJKSA-N 1 1 384.432 3.597 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000589503037 854911537 /nfs/dbraw/zinc/91/15/37/854911537.db2.gz LORPTYCIJZQQTF-HNNXBMFYSA-N 1 1 386.473 3.996 20 5 GHBDMO C[C@@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000572811892 854998107 /nfs/dbraw/zinc/99/81/07/854998107.db2.gz PZCZSRNRPGZXKU-IIBYNOLFSA-N 1 1 381.476 3.725 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000589744682 855137043 /nfs/dbraw/zinc/13/70/43/855137043.db2.gz BPFQMSKQVPWXIZ-QFIPXVFZSA-N 1 1 384.476 3.681 20 5 GHBDMO O=[N+]([O-])c1ccccc1N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000301490108 855143378 /nfs/dbraw/zinc/14/33/78/855143378.db2.gz MAIWDWWWHXRLAF-UHFFFAOYSA-N 1 1 385.855 3.608 20 5 GHBDMO O=[N+]([O-])c1ccccc1N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000301490108 855143379 /nfs/dbraw/zinc/14/33/79/855143379.db2.gz MAIWDWWWHXRLAF-UHFFFAOYSA-N 1 1 385.855 3.608 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159448259 862680737 /nfs/dbraw/zinc/68/07/37/862680737.db2.gz ULOLUAHFINJMAY-GHMZBOCLSA-N 1 1 379.363 3.559 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172581261 855963256 /nfs/dbraw/zinc/96/32/56/855963256.db2.gz IDIGAOVGFLCUBT-AWEZNQCLSA-N 1 1 394.903 3.526 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172581264 855963376 /nfs/dbraw/zinc/96/33/76/855963376.db2.gz IDIGAOVGFLCUBT-CQSZACIVSA-N 1 1 394.903 3.526 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171620005 856204523 /nfs/dbraw/zinc/20/45/23/856204523.db2.gz YJJWAHPKAHDNLH-UHFFFAOYSA-N 1 1 378.432 3.771 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171620005 856204539 /nfs/dbraw/zinc/20/45/39/856204539.db2.gz YJJWAHPKAHDNLH-UHFFFAOYSA-N 1 1 378.432 3.771 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3cc(C)c([N+](=O)[O-])cn3)CC2)cs1 ZINC000301427711 856289744 /nfs/dbraw/zinc/28/97/44/856289744.db2.gz ICGDAQDJCSUQPQ-UHFFFAOYSA-N 1 1 375.498 3.641 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCCC[C@H]3O)n2)cc1 ZINC000280976527 862786527 /nfs/dbraw/zinc/78/65/27/862786527.db2.gz KYDOHSHDUHBOPE-KZNAEPCWSA-N 1 1 386.452 3.550 20 5 GHBDMO COC(=O)c1cc(NC[C@H](C)[N@H+]2CCc3sccc3C2)cc(C)c1[N+](=O)[O-] ZINC000301627230 856431958 /nfs/dbraw/zinc/43/19/58/856431958.db2.gz AARODRXAVGQBSE-ZDUSSCGKSA-N 1 1 389.477 3.610 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccncc3)CC2)nc1-c1ccc(F)cc1 ZINC000485404897 856464521 /nfs/dbraw/zinc/46/45/21/856464521.db2.gz LMOHWJAFKKPFGA-UHFFFAOYSA-N 1 1 393.422 3.513 20 5 GHBDMO C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323685610 856477089 /nfs/dbraw/zinc/47/70/89/856477089.db2.gz BRXYHHCKHRHJEC-OAHLLOKOSA-N 1 1 387.867 3.842 20 5 GHBDMO CCOC1CC[NH+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000091677774 856501030 /nfs/dbraw/zinc/50/10/30/856501030.db2.gz UVHUFJUEMIBESC-UHFFFAOYSA-N 1 1 392.374 3.545 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3O)o2)cc1 ZINC000281028049 862811225 /nfs/dbraw/zinc/81/12/25/862811225.db2.gz OXNLOXRNMAHDCW-KSZLIROESA-N 1 1 386.452 3.550 20 5 GHBDMO COc1c(C)c[nH+]c(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1C ZINC000592131068 856671897 /nfs/dbraw/zinc/67/18/97/856671897.db2.gz SVGDYXQPHZBEOQ-WGSAOQKQSA-N 1 1 399.491 3.921 20 5 GHBDMO COc1c(C)cnc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1C ZINC000592131068 856671901 /nfs/dbraw/zinc/67/19/01/856671901.db2.gz SVGDYXQPHZBEOQ-WGSAOQKQSA-N 1 1 399.491 3.921 20 5 GHBDMO COc1c(C)cnc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1C ZINC000592131068 856671903 /nfs/dbraw/zinc/67/19/03/856671903.db2.gz SVGDYXQPHZBEOQ-WGSAOQKQSA-N 1 1 399.491 3.921 20 5 GHBDMO CC(C)(C)OC(=O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132248 856674972 /nfs/dbraw/zinc/67/49/72/856674972.db2.gz DYNMAGXPFRCDGD-IYARVYRRSA-N 1 1 392.496 3.822 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000508001988 856786139 /nfs/dbraw/zinc/78/61/39/856786139.db2.gz XRYSNUCKHBHFRK-INIZCTEOSA-N 1 1 398.463 3.548 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000508001988 856786147 /nfs/dbraw/zinc/78/61/47/856786147.db2.gz XRYSNUCKHBHFRK-INIZCTEOSA-N 1 1 398.463 3.548 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000507995739 856803232 /nfs/dbraw/zinc/80/32/32/856803232.db2.gz XCHSBZYUWNSEBP-UHFFFAOYSA-N 1 1 381.411 3.899 20 5 GHBDMO COc1ccc(OCC[NH2+][C@H](c2nccs2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000173266062 856826638 /nfs/dbraw/zinc/82/66/38/856826638.db2.gz WAQQNSVKJOPVIJ-SFHVURJKSA-N 1 1 385.445 3.818 20 5 GHBDMO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000245485212 856899760 /nfs/dbraw/zinc/89/97/60/856899760.db2.gz IZBKBLCIVBTOLT-HUUCEWRRSA-N 1 1 394.435 3.596 20 5 GHBDMO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000245485212 856899768 /nfs/dbraw/zinc/89/97/68/856899768.db2.gz IZBKBLCIVBTOLT-HUUCEWRRSA-N 1 1 394.435 3.596 20 5 GHBDMO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000173609267 857023405 /nfs/dbraw/zinc/02/34/05/857023405.db2.gz AJHMYDACQHRUEY-CQSZACIVSA-N 1 1 375.856 3.889 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301675555 857069416 /nfs/dbraw/zinc/06/94/16/857069416.db2.gz QDMPFVZUEFBSTC-AWEZNQCLSA-N 1 1 377.514 3.785 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000173768621 857138297 /nfs/dbraw/zinc/13/82/97/857138297.db2.gz CQWKGADLWRZKPK-LBPRGKRZSA-N 1 1 387.402 3.854 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000508371990 857224552 /nfs/dbraw/zinc/22/45/52/857224552.db2.gz QMDVIQAGTSBVQU-HZPDHXFCSA-N 1 1 382.464 3.684 20 5 GHBDMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000574057002 857232583 /nfs/dbraw/zinc/23/25/83/857232583.db2.gz DYQWLRNIYYFOTQ-OAHLLOKOSA-N 1 1 378.432 3.645 20 5 GHBDMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000574057002 857232595 /nfs/dbraw/zinc/23/25/95/857232595.db2.gz DYQWLRNIYYFOTQ-OAHLLOKOSA-N 1 1 378.432 3.645 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485977130 857287923 /nfs/dbraw/zinc/28/79/23/857287923.db2.gz KBZVTLKJFMYNHH-ICSRJNTNSA-N 1 1 384.386 3.700 20 5 GHBDMO Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c2cccc([N+](=O)[O-])c2n1 ZINC000485996202 857327070 /nfs/dbraw/zinc/32/70/70/857327070.db2.gz PRTRBOSUDPHDFC-JTSKRJEESA-N 1 1 391.475 3.976 20 5 GHBDMO C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000593078409 857340223 /nfs/dbraw/zinc/34/02/23/857340223.db2.gz YMHJPBYUVUNZGH-WFASDCNBSA-N 1 1 397.435 3.697 20 5 GHBDMO O=[N+]([O-])c1c(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc2sccn21 ZINC000301718829 857345593 /nfs/dbraw/zinc/34/55/93/857345593.db2.gz OWWBVGKBCXJNPV-SJORKVTESA-N 1 1 397.504 3.795 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000246604676 857415278 /nfs/dbraw/zinc/41/52/78/857415278.db2.gz UNVTUXFAUVTTQF-SCLBCKFNSA-N 1 1 389.477 3.755 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000246604676 857415287 /nfs/dbraw/zinc/41/52/87/857415287.db2.gz UNVTUXFAUVTTQF-SCLBCKFNSA-N 1 1 389.477 3.755 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000246804822 857467811 /nfs/dbraw/zinc/46/78/11/857467811.db2.gz RSSRONMSWMVVJA-FUHWJXTLSA-N 1 1 382.464 3.807 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000246804822 857467822 /nfs/dbraw/zinc/46/78/22/857467822.db2.gz RSSRONMSWMVVJA-FUHWJXTLSA-N 1 1 382.464 3.807 20 5 GHBDMO COc1cc(CNc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000486191129 857513316 /nfs/dbraw/zinc/51/33/16/857513316.db2.gz BSSYPPDRSCVHGY-IYBDPMFKSA-N 1 1 385.464 3.825 20 5 GHBDMO COc1cc(CNc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000486191129 857513328 /nfs/dbraw/zinc/51/33/28/857513328.db2.gz BSSYPPDRSCVHGY-IYBDPMFKSA-N 1 1 385.464 3.825 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](CC)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000019540938 857521845 /nfs/dbraw/zinc/52/18/45/857521845.db2.gz VZZURNDHFSKJQE-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000019540938 857521861 /nfs/dbraw/zinc/52/18/61/857521861.db2.gz VZZURNDHFSKJQE-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301794931 857763830 /nfs/dbraw/zinc/76/38/30/857763830.db2.gz SLSBGQUCBHISAV-XLIONFOSSA-N 1 1 393.491 3.813 20 5 GHBDMO CSc1cccc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000486467968 857763832 /nfs/dbraw/zinc/76/38/32/857763832.db2.gz NULVCQBMGQJEOR-ZNMIVQPWSA-N 1 1 377.510 3.794 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486499512 857798592 /nfs/dbraw/zinc/79/85/92/857798592.db2.gz YAYYLFAHZZCOAW-GJZGRUSLSA-N 1 1 395.450 3.529 20 5 GHBDMO CSc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]2Cc2ccco2)cc1[N+](=O)[O-] ZINC000765970933 857923440 /nfs/dbraw/zinc/92/34/40/857923440.db2.gz XOQFPKLVVDPNEZ-AWEZNQCLSA-N 1 1 376.434 3.731 20 5 GHBDMO CSc1ccc(C(=O)OC[C@@H]2CCC[N@H+]2Cc2ccco2)cc1[N+](=O)[O-] ZINC000765970933 857923448 /nfs/dbraw/zinc/92/34/48/857923448.db2.gz XOQFPKLVVDPNEZ-AWEZNQCLSA-N 1 1 376.434 3.731 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)c2C1 ZINC000066514388 858162620 /nfs/dbraw/zinc/16/26/20/858162620.db2.gz VYUOMWCSZCUFQR-UHFFFAOYSA-N 1 1 391.431 3.758 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)c2C1 ZINC000066514388 858162624 /nfs/dbraw/zinc/16/26/24/858162624.db2.gz VYUOMWCSZCUFQR-UHFFFAOYSA-N 1 1 391.431 3.758 20 5 GHBDMO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301844823 858201157 /nfs/dbraw/zinc/20/11/57/858201157.db2.gz SPZBKACUNYWPRR-YYOBNKEPSA-N 1 1 381.432 3.638 20 5 GHBDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000439066836 858205349 /nfs/dbraw/zinc/20/53/49/858205349.db2.gz DWBLSNNTZOWRSL-OXJNMPFZSA-N 1 1 383.496 3.739 20 5 GHBDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000439066836 858205356 /nfs/dbraw/zinc/20/53/56/858205356.db2.gz DWBLSNNTZOWRSL-OXJNMPFZSA-N 1 1 383.496 3.739 20 5 GHBDMO COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594523133 858209847 /nfs/dbraw/zinc/20/98/47/858209847.db2.gz NZCBEZWAERULMA-CQSZACIVSA-N 1 1 380.347 3.818 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@@H](C)O)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594616097 858242601 /nfs/dbraw/zinc/24/26/01/858242601.db2.gz RNJNLLXPSRGPEM-OAHLLOKOSA-N 1 1 386.448 3.528 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000078916826 858300097 /nfs/dbraw/zinc/30/00/97/858300097.db2.gz VTTBHVFUBBECJX-MRXNPFEDSA-N 1 1 386.496 3.566 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000595043155 858377591 /nfs/dbraw/zinc/37/75/91/858377591.db2.gz IHKJZXSOZKUKJC-INIZCTEOSA-N 1 1 399.491 3.927 20 5 GHBDMO CC1(C)C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000595074802 858411189 /nfs/dbraw/zinc/41/11/89/858411189.db2.gz WUFQBDWGZNJJMY-SIKLNZKXSA-N 1 1 395.503 3.674 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000046757159 858492705 /nfs/dbraw/zinc/49/27/05/858492705.db2.gz OWEDFBMKGCWRSK-UHFFFAOYSA-N 1 1 384.480 3.553 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000575124244 858572946 /nfs/dbraw/zinc/57/29/46/858572946.db2.gz YBZSLAHFXVKXNN-LAUBAEHRSA-N 1 1 396.491 3.644 20 5 GHBDMO C[N@H+](CCCOCc1ccccc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000281469137 863049990 /nfs/dbraw/zinc/04/99/90/863049990.db2.gz UMZVUJFOKPVCSZ-UHFFFAOYSA-N 1 1 382.420 3.684 20 5 GHBDMO C[N@@H+](CCCOCc1ccccc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000281469137 863050004 /nfs/dbraw/zinc/05/00/04/863050004.db2.gz UMZVUJFOKPVCSZ-UHFFFAOYSA-N 1 1 382.420 3.684 20 5 GHBDMO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000595777750 858685247 /nfs/dbraw/zinc/68/52/47/858685247.db2.gz JBHMSFTZUUXFLB-JKSUJKDBSA-N 1 1 386.452 3.861 20 5 GHBDMO COC1CC[NH+](C2(CN[C@@H](C)c3cccc([N+](=O)[O-])c3C)CCCC2)CC1 ZINC000482648933 858721761 /nfs/dbraw/zinc/72/17/61/858721761.db2.gz GKILGVNTGUXNLL-KRWDZBQOSA-N 1 1 375.513 3.977 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000060090375 858847413 /nfs/dbraw/zinc/84/74/13/858847413.db2.gz FETYXIDOOULEJZ-SFHVURJKSA-N 1 1 387.436 3.506 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000596424054 858892334 /nfs/dbraw/zinc/89/23/34/858892334.db2.gz PKDWGRDIMJSUTO-MRXNPFEDSA-N 1 1 395.381 3.792 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429292081 858949099 /nfs/dbraw/zinc/94/90/99/858949099.db2.gz HWUIAWATCMEIJR-GFCCVEGCSA-N 1 1 390.452 3.822 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170327264 881364591 /nfs/dbraw/zinc/36/45/91/881364591.db2.gz GLCXTSZIYRHRRV-CZUORRHYSA-N 1 1 380.441 3.560 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170327264 881364612 /nfs/dbraw/zinc/36/46/12/881364612.db2.gz GLCXTSZIYRHRRV-CZUORRHYSA-N 1 1 380.441 3.560 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328343 881365503 /nfs/dbraw/zinc/36/55/03/881365503.db2.gz JXXQPFGZGNWCPH-DCGLDWPTSA-N 1 1 390.402 3.560 20 5 GHBDMO COc1cc(C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)c([N+](=O)[O-])cc1F ZINC000482939907 858995347 /nfs/dbraw/zinc/99/53/47/858995347.db2.gz COKJJQFAMDJMAV-UHFFFAOYSA-N 1 1 388.439 3.621 20 5 GHBDMO COc1cc(C[N@H+](C)CCc2ccccc2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000543249025 859033922 /nfs/dbraw/zinc/03/39/22/859033922.db2.gz NFBLZUFPXCRGHE-UHFFFAOYSA-N 1 1 396.390 3.627 20 5 GHBDMO COc1cc(C[N@@H+](C)CCc2ccccc2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000543249025 859033926 /nfs/dbraw/zinc/03/39/26/859033926.db2.gz NFBLZUFPXCRGHE-UHFFFAOYSA-N 1 1 396.390 3.627 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543252888 859038235 /nfs/dbraw/zinc/03/82/35/859038235.db2.gz RKZCMUILRMNBAC-CHWSQXEVSA-N 1 1 385.917 3.577 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509325630 859064621 /nfs/dbraw/zinc/06/46/21/859064621.db2.gz DACPDKWBKYIVOI-HDICACEKSA-N 1 1 390.528 3.883 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000543632286 859120168 /nfs/dbraw/zinc/12/01/68/859120168.db2.gz RNFBKTDPVPQNDR-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000596841464 859120549 /nfs/dbraw/zinc/12/05/49/859120549.db2.gz DKSFUPVZDQDFES-LJQANCHMSA-N 1 1 382.464 3.684 20 5 GHBDMO CCc1nn(C)c(NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301942937 859207678 /nfs/dbraw/zinc/20/76/78/859207678.db2.gz XSUIIINLOCCQSV-MLGOLLRUSA-N 1 1 395.866 3.788 20 5 GHBDMO CCc1nn(C)c(NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301942937 859207688 /nfs/dbraw/zinc/20/76/88/859207688.db2.gz XSUIIINLOCCQSV-MLGOLLRUSA-N 1 1 395.866 3.788 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 ZINC000068824378 859214322 /nfs/dbraw/zinc/21/43/22/859214322.db2.gz JKXVNVBTLXBSAI-INIZCTEOSA-N 1 1 386.427 3.768 20 5 GHBDMO C[C@@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000597094026 859280986 /nfs/dbraw/zinc/28/09/86/859280986.db2.gz AKZRPMYXUGNLLC-NEPJUHHUSA-N 1 1 395.891 3.605 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597094350 859281453 /nfs/dbraw/zinc/28/14/53/859281453.db2.gz FCYFVNQPFRVCHX-UHFFFAOYSA-N 1 1 397.907 3.806 20 5 GHBDMO CCOc1cc(N2CC[NH+](Cc3cc(COC)cs3)CC2)ccc1[N+](=O)[O-] ZINC000597117310 859294119 /nfs/dbraw/zinc/29/41/19/859294119.db2.gz NAXBDMQNCYJYON-UHFFFAOYSA-N 1 1 391.493 3.524 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597209906 859348993 /nfs/dbraw/zinc/34/89/93/859348993.db2.gz FMUVEUUDJYGHNU-AVRDEDQJSA-N 1 1 398.459 3.651 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000764572374 859506101 /nfs/dbraw/zinc/50/61/01/859506101.db2.gz DDDKWQBGSQMCHO-KRWDZBQOSA-N 1 1 385.439 3.636 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000301975234 859594270 /nfs/dbraw/zinc/59/42/70/859594270.db2.gz BOGMVBPLNOYWRH-UHFFFAOYSA-N 1 1 385.855 3.608 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000301975234 859594280 /nfs/dbraw/zinc/59/42/80/859594280.db2.gz BOGMVBPLNOYWRH-UHFFFAOYSA-N 1 1 385.855 3.608 20 5 GHBDMO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000474230464 859650664 /nfs/dbraw/zinc/65/06/64/859650664.db2.gz KXZNDXMICGESEV-KRWDZBQOSA-N 1 1 397.431 3.716 20 5 GHBDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000474230464 859650666 /nfs/dbraw/zinc/65/06/66/859650666.db2.gz KXZNDXMICGESEV-KRWDZBQOSA-N 1 1 397.431 3.716 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC001170347596 881470341 /nfs/dbraw/zinc/47/03/41/881470341.db2.gz SCNVFSWZEGKHLG-MAUKXSAKSA-N 1 1 386.448 3.696 20 5 GHBDMO Cc1cc(N2CCC(Nc3ccnc4cc([N+](=O)[O-])ccc43)CC2)nc(C)[nH+]1 ZINC000593467527 859890283 /nfs/dbraw/zinc/89/02/83/859890283.db2.gz KHXDTKVAOATSCB-UHFFFAOYSA-N 1 1 378.436 3.631 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](c4c(F)cccc4F)C3)o2)cc1 ZINC000185333722 859908282 /nfs/dbraw/zinc/90/82/82/859908282.db2.gz NAXWFDQBMILKBD-ZDUSSCGKSA-N 1 1 386.358 3.913 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](c4c(F)cccc4F)C3)o2)cc1 ZINC000185333722 859908283 /nfs/dbraw/zinc/90/82/83/859908283.db2.gz NAXWFDQBMILKBD-ZDUSSCGKSA-N 1 1 386.358 3.913 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351237 881485703 /nfs/dbraw/zinc/48/57/03/881485703.db2.gz BQEXBIBMTIEIHJ-HUUCEWRRSA-N 1 1 378.469 3.588 20 5 GHBDMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000092098647 859989555 /nfs/dbraw/zinc/98/95/55/859989555.db2.gz KETKJNWSRCRRDM-INIZCTEOSA-N 1 1 389.839 3.751 20 5 GHBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000131334952 860019881 /nfs/dbraw/zinc/01/98/81/860019881.db2.gz VAKPPPXHOQUUAC-KBPBESRZSA-N 1 1 387.411 3.595 20 5 GHBDMO CC[N@@H+](Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000092407375 860040074 /nfs/dbraw/zinc/04/00/74/860040074.db2.gz KHGYXLWIIXBYJN-CYBMUJFWSA-N 1 1 392.374 3.545 20 5 GHBDMO CC[N@H+](Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000092407375 860040082 /nfs/dbraw/zinc/04/00/82/860040082.db2.gz KHGYXLWIIXBYJN-CYBMUJFWSA-N 1 1 392.374 3.545 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154298635 860053515 /nfs/dbraw/zinc/05/35/15/860053515.db2.gz XFKLKYVEJUIDCC-KRWDZBQOSA-N 1 1 390.443 3.537 20 5 GHBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092706236 860108899 /nfs/dbraw/zinc/10/88/99/860108899.db2.gz PTPJXZWQHVPRGU-MRXNPFEDSA-N 1 1 385.464 3.839 20 5 GHBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCN(CCC(F)(F)F)CC1 ZINC000602685471 860217096 /nfs/dbraw/zinc/21/70/96/860217096.db2.gz HEUMEAKXASBQLV-UHFFFAOYSA-N 1 1 386.374 3.585 20 5 GHBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000602685471 860217107 /nfs/dbraw/zinc/21/71/07/860217107.db2.gz HEUMEAKXASBQLV-UHFFFAOYSA-N 1 1 386.374 3.585 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CCc3ccccc3)C(F)F)CC2)cn1 ZINC000602722806 860225275 /nfs/dbraw/zinc/22/52/75/860225275.db2.gz HVMVBWYPHXCWCJ-SFHVURJKSA-N 1 1 390.434 3.815 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124124584 860238795 /nfs/dbraw/zinc/23/87/95/860238795.db2.gz UNMPEEGGKXXTDD-AHKGRUIUSA-N 1 1 381.480 3.806 20 5 GHBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000602806248 860290887 /nfs/dbraw/zinc/29/08/87/860290887.db2.gz PUXNTBBUGBDOEE-AWEZNQCLSA-N 1 1 384.411 3.897 20 5 GHBDMO C[C@](CO)([NH2+]Cc1ccccc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602965764 860373360 /nfs/dbraw/zinc/37/33/60/860373360.db2.gz NOBKEUDLXZWVDQ-QGZVFWFLSA-N 1 1 384.354 3.533 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000093943256 860380115 /nfs/dbraw/zinc/38/01/15/860380115.db2.gz UQDLVBYASSKHRI-AWEZNQCLSA-N 1 1 387.505 3.758 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000093943256 860380121 /nfs/dbraw/zinc/38/01/21/860380121.db2.gz UQDLVBYASSKHRI-AWEZNQCLSA-N 1 1 387.505 3.758 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCCC[NH+]1CCCCC1 ZINC000603110690 860496222 /nfs/dbraw/zinc/49/62/22/860496222.db2.gz OZLVTTIWNDWSMF-MRXNPFEDSA-N 1 1 387.484 3.904 20 5 GHBDMO O=[N+]([O-])c1ccc(Cn2cc(C[NH2+][C@@H]3CCc4ccccc43)nn2)c(Cl)c1 ZINC000603219002 860565955 /nfs/dbraw/zinc/56/59/55/860565955.db2.gz QLHKTZZMCOJQRQ-LJQANCHMSA-N 1 1 383.839 3.665 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000603249339 860586595 /nfs/dbraw/zinc/58/65/95/860586595.db2.gz GWAULHYORNGQHP-QVKFZJNVSA-N 1 1 377.448 3.881 20 5 GHBDMO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000132635310 860593914 /nfs/dbraw/zinc/59/39/14/860593914.db2.gz DAZKZVMMHVSSQV-SUMWQHHRSA-N 1 1 395.381 3.858 20 5 GHBDMO Cc1c(Br)cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000125494039 860686075 /nfs/dbraw/zinc/68/60/75/860686075.db2.gz QEWHHRPCVMTVRN-CQSZACIVSA-N 1 1 398.301 3.612 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000520428956 881583293 /nfs/dbraw/zinc/58/32/93/881583293.db2.gz CCZFRGMVAAEYKN-DFGXFYAUSA-N 1 1 391.537 3.939 20 5 GHBDMO CN(c1ccccc1)c1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000603633173 860952622 /nfs/dbraw/zinc/95/26/22/860952622.db2.gz IEFFSVJEDHKFEA-GOSISDBHSA-N 1 1 380.492 3.937 20 5 GHBDMO CN(c1ccccc1)c1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000603633173 860952629 /nfs/dbraw/zinc/95/26/29/860952629.db2.gz IEFFSVJEDHKFEA-GOSISDBHSA-N 1 1 380.492 3.937 20 5 GHBDMO CNc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603667780 861021776 /nfs/dbraw/zinc/02/17/76/861021776.db2.gz KCJFIZJYNJNGJH-MRXNPFEDSA-N 1 1 396.491 3.798 20 5 GHBDMO Cc1ccc(CNc2c(Br)cncc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000302033647 861180614 /nfs/dbraw/zinc/18/06/14/861180614.db2.gz DGCXOXMOGNDCFM-UHFFFAOYSA-N 1 1 392.257 3.668 20 5 GHBDMO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000444059484 863234056 /nfs/dbraw/zinc/23/40/56/863234056.db2.gz USNFNQWPIXDKAJ-UHFFFAOYSA-N 1 1 397.884 3.891 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC[C@@H]21 ZINC000160158869 863381840 /nfs/dbraw/zinc/38/18/40/863381840.db2.gz KZMJXDDNCWCGFF-RISCZKNCSA-N 1 1 386.374 3.562 20 5 GHBDMO O=[N+]([O-])c1c(Br)cccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000856737513 881703496 /nfs/dbraw/zinc/70/34/96/881703496.db2.gz GGFXZHAGTRSKGF-DOMZBBRYSA-N 1 1 380.286 3.810 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)nc1-c1ccncc1 ZINC000172905072 864105508 /nfs/dbraw/zinc/10/55/08/864105508.db2.gz YJXJWGXLAQYALB-MRXNPFEDSA-N 1 1 381.411 3.515 20 5 GHBDMO COc1ccc(CC(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000734300128 864133152 /nfs/dbraw/zinc/13/31/52/864133152.db2.gz TVPUTOVGCWAKTM-LJQANCHMSA-N 1 1 398.459 3.601 20 5 GHBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000475689936 881734426 /nfs/dbraw/zinc/73/44/26/881734426.db2.gz ABBNDEYYHLRALB-LBPRGKRZSA-N 1 1 392.408 3.605 20 5 GHBDMO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000475123583 864258227 /nfs/dbraw/zinc/25/82/27/864258227.db2.gz XYWOFEBJUDDDMR-QZTJIDSGSA-N 1 1 386.473 3.893 20 5 GHBDMO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000475123583 864258233 /nfs/dbraw/zinc/25/82/33/864258233.db2.gz XYWOFEBJUDDDMR-QZTJIDSGSA-N 1 1 386.473 3.893 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000792876473 881765122 /nfs/dbraw/zinc/76/51/22/881765122.db2.gz NHCFACCPCJWRHE-KRWDZBQOSA-N 1 1 387.392 3.533 20 5 GHBDMO C[C@H](CCN(C)C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237447147 864564584 /nfs/dbraw/zinc/56/45/84/864564584.db2.gz BHKKVGJCYYDVKD-QGZVFWFLSA-N 1 1 393.491 3.877 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CCc1ccccc1)C1CC1 ZINC000735309546 864734200 /nfs/dbraw/zinc/73/42/00/864734200.db2.gz ILRISBIJKQJMSB-UHFFFAOYSA-N 1 1 381.432 3.600 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000480520339 864799962 /nfs/dbraw/zinc/79/99/62/864799962.db2.gz RZOILMRMKVKJFE-GOSISDBHSA-N 1 1 388.512 3.897 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](Cc4ccc(F)cc4)C3)o2)cc1 ZINC000121315043 865529567 /nfs/dbraw/zinc/52/95/67/865529567.db2.gz KPDOTUOBDHMUFQ-OAHLLOKOSA-N 1 1 382.395 3.849 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CCO)c3cccs3)cs2)c1 ZINC000740900451 866089500 /nfs/dbraw/zinc/08/95/00/866089500.db2.gz QBOUUFBONMWQJM-HNNXBMFYSA-N 1 1 375.475 3.993 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185493403 866146577 /nfs/dbraw/zinc/14/65/77/866146577.db2.gz CASQXXWEOCVQKJ-YQQAZPJKSA-N 1 1 385.439 3.617 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000737414438 866210964 /nfs/dbraw/zinc/21/09/64/866210964.db2.gz YERMTSGNHMSRFI-WBVHZDCISA-N 1 1 384.436 3.992 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475577940 866390183 /nfs/dbraw/zinc/39/01/83/866390183.db2.gz JSDMTIXDSTVNQU-SFHVURJKSA-N 1 1 388.411 3.638 20 5 GHBDMO C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000456338038 866499251 /nfs/dbraw/zinc/49/92/51/866499251.db2.gz NZNQWXQXKIUMRY-MRXNPFEDSA-N 1 1 392.459 3.670 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183629660 866907067 /nfs/dbraw/zinc/90/70/67/866907067.db2.gz ADKKJEQUMGFQQL-OAHLLOKOSA-N 1 1 383.452 3.686 20 5 GHBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000742418295 867284656 /nfs/dbraw/zinc/28/46/56/867284656.db2.gz BCNYVKHCSXBRKZ-GFCCVEGCSA-N 1 1 390.362 3.832 20 5 GHBDMO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000742419713 867284957 /nfs/dbraw/zinc/28/49/57/867284957.db2.gz MHKHGTSLURQHLV-CQSZACIVSA-N 1 1 385.855 3.779 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000534714702 867358850 /nfs/dbraw/zinc/35/88/50/867358850.db2.gz AKDBMRORXYOCGC-UHFFFAOYSA-N 1 1 385.306 3.701 20 5 GHBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444925370 867469141 /nfs/dbraw/zinc/46/91/41/867469141.db2.gz SYMZGXVZVJNPQR-SFHVURJKSA-N 1 1 398.463 3.732 20 5 GHBDMO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000534840801 867619654 /nfs/dbraw/zinc/61/96/54/867619654.db2.gz DKAOAPQXXRJJBN-NRFANRHFSA-N 1 1 392.459 3.956 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000535253969 868429560 /nfs/dbraw/zinc/42/95/60/868429560.db2.gz YGZFEMQEKJZVSC-AWEZNQCLSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000535253969 868429567 /nfs/dbraw/zinc/42/95/67/868429567.db2.gz YGZFEMQEKJZVSC-AWEZNQCLSA-N 1 1 397.258 3.700 20 5 GHBDMO CC[N@@H+](Cc1ccc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc1)C(C)C ZINC000445612966 868743232 /nfs/dbraw/zinc/74/32/32/868743232.db2.gz LWFKQIKGENCMPV-UHFFFAOYSA-N 1 1 384.440 3.584 20 5 GHBDMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000029842749 869209430 /nfs/dbraw/zinc/20/94/30/869209430.db2.gz FVACDYQBKVYYCP-AWEZNQCLSA-N 1 1 397.431 3.563 20 5 GHBDMO O=C(N[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)c1cc2ccccc2o1 ZINC000440935963 869318928 /nfs/dbraw/zinc/31/89/28/869318928.db2.gz LROWYJYMUFLWJV-GOSISDBHSA-N 1 1 393.443 3.778 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462414443 869395656 /nfs/dbraw/zinc/39/56/56/869395656.db2.gz LZUFOXUJQZDMEE-WOJBJXKFSA-N 1 1 381.476 3.554 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000539672410 869589355 /nfs/dbraw/zinc/58/93/55/869589355.db2.gz WHUYVMCVJVJAAA-ZIAGYGMSSA-N 1 1 377.510 3.842 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000470954094 869759460 /nfs/dbraw/zinc/75/94/60/869759460.db2.gz WBYYDJORCSABGU-PSASIEDQSA-N 1 1 384.301 3.978 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000470954094 869759466 /nfs/dbraw/zinc/75/94/66/869759466.db2.gz WBYYDJORCSABGU-PSASIEDQSA-N 1 1 384.301 3.978 20 5 GHBDMO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446422523 869848607 /nfs/dbraw/zinc/84/86/07/869848607.db2.gz KCVVBTPGWDIJSK-OAQYLSRUSA-N 1 1 397.450 3.673 20 5 GHBDMO O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446422523 869848619 /nfs/dbraw/zinc/84/86/19/869848619.db2.gz KCVVBTPGWDIJSK-OAQYLSRUSA-N 1 1 397.450 3.673 20 5 GHBDMO COc1ccc(C[N@H+](CCO)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000539830767 869865224 /nfs/dbraw/zinc/86/52/24/869865224.db2.gz GMFUGGAUBCSTRO-UHFFFAOYSA-N 1 1 388.464 3.730 20 5 GHBDMO COc1ccc(C[N@@H+](CCO)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000539830767 869865231 /nfs/dbraw/zinc/86/52/31/869865231.db2.gz GMFUGGAUBCSTRO-UHFFFAOYSA-N 1 1 388.464 3.730 20 5 GHBDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000746033532 869960975 /nfs/dbraw/zinc/96/09/75/869960975.db2.gz CKASEIVBAAFPER-UHFFFAOYSA-N 1 1 381.436 3.732 20 5 GHBDMO CCC[N@H+](Cc1ccc(OC)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000746033532 869960985 /nfs/dbraw/zinc/96/09/85/869960985.db2.gz CKASEIVBAAFPER-UHFFFAOYSA-N 1 1 381.436 3.732 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001127240802 870052263 /nfs/dbraw/zinc/05/22/63/870052263.db2.gz CTSAIMHRLYNCNF-HUUCEWRRSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001127240802 870052278 /nfs/dbraw/zinc/05/22/78/870052278.db2.gz CTSAIMHRLYNCNF-HUUCEWRRSA-N 1 1 387.867 3.983 20 5 GHBDMO CN(C(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746397461 870606764 /nfs/dbraw/zinc/60/67/64/870606764.db2.gz LYHZLWDQGYWESP-IBGZPJMESA-N 1 1 384.505 3.888 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c1[N+](=O)[O-] ZINC000804271714 870693631 /nfs/dbraw/zinc/69/36/31/870693631.db2.gz UQMOFHSQYHGWCH-GOSISDBHSA-N 1 1 397.406 3.896 20 5 GHBDMO Cc1cc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461721014 870833160 /nfs/dbraw/zinc/83/31/60/870833160.db2.gz VNHPWFJJGKOOKN-QGZVFWFLSA-N 1 1 388.434 3.606 20 5 GHBDMO Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461738019 870837282 /nfs/dbraw/zinc/83/72/82/870837282.db2.gz YDKBUOFLDHURFF-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO C[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000617734138 870837476 /nfs/dbraw/zinc/83/74/76/870837476.db2.gz HKZQBXUHLMZCCE-ZACQAIPSSA-N 1 1 397.475 3.946 20 5 GHBDMO CCc1ccc(CC[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC001193176949 870910827 /nfs/dbraw/zinc/91/08/27/870910827.db2.gz OHZDPPHEVFKCCR-UHFFFAOYSA-N 1 1 393.491 3.788 20 5 GHBDMO COc1cc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)ccc1OCCC(C)C ZINC000540376296 871107191 /nfs/dbraw/zinc/10/71/91/871107191.db2.gz OODREOOVJNSQRV-CQSZACIVSA-N 1 1 376.457 3.613 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC([N@@H+](C2CCC2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169057828 871144433 /nfs/dbraw/zinc/14/44/33/871144433.db2.gz XTRPMVOJQNODPG-YJBOKZPZSA-N 1 1 381.517 3.686 20 5 GHBDMO CC[C@H](C[N@@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC001193591840 871177357 /nfs/dbraw/zinc/17/73/57/871177357.db2.gz BMGAHRFCLWTOJQ-QGZVFWFLSA-N 1 1 381.476 4.000 20 5 GHBDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001193754319 871293936 /nfs/dbraw/zinc/29/39/36/871293936.db2.gz TYNMFZMHQAFFEW-KRWDZBQOSA-N 1 1 399.491 3.708 20 5 GHBDMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001193754319 871293951 /nfs/dbraw/zinc/29/39/51/871293951.db2.gz TYNMFZMHQAFFEW-KRWDZBQOSA-N 1 1 399.491 3.708 20 5 GHBDMO COc1ccc(OCC[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000441238624 871355226 /nfs/dbraw/zinc/35/52/26/871355226.db2.gz ZANAIXAVJCYUSU-LJQANCHMSA-N 1 1 386.448 3.663 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000539137767 871396990 /nfs/dbraw/zinc/39/69/90/871396990.db2.gz OTQSMRWZEZPNPD-UHFFFAOYSA-N 1 1 375.513 3.744 20 5 GHBDMO O=C(CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCc1ccccc1Cl ZINC000441247534 871468169 /nfs/dbraw/zinc/46/81/69/871468169.db2.gz KTSQBYIOYNGKAC-UHFFFAOYSA-N 1 1 387.867 3.919 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540524056 871489985 /nfs/dbraw/zinc/48/99/85/871489985.db2.gz DNEHAWCXNVXBKV-KRWDZBQOSA-N 1 1 382.464 3.651 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001169542495 871621116 /nfs/dbraw/zinc/62/11/16/871621116.db2.gz XDRQJDKJAKCZJK-HNAYVOBHSA-N 1 1 399.516 3.957 20 5 GHBDMO CCCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCC[C@H]1OC ZINC001194349097 871631072 /nfs/dbraw/zinc/63/10/72/871631072.db2.gz YQEVTJYGLOAMLA-WOJBJXKFSA-N 1 1 389.496 3.544 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000540588082 871687321 /nfs/dbraw/zinc/68/73/21/871687321.db2.gz VLPDGRNVCWOAPI-FUHWJXTLSA-N 1 1 397.475 3.776 20 5 GHBDMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001194478332 871740553 /nfs/dbraw/zinc/74/05/53/871740553.db2.gz TUJVSTLDXZCVCU-KRWDZBQOSA-N 1 1 383.448 3.812 20 5 GHBDMO CCC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000539328128 871746351 /nfs/dbraw/zinc/74/63/51/871746351.db2.gz QOFYLFMMDYTUIK-SFHVURJKSA-N 1 1 389.402 3.893 20 5 GHBDMO Cc1ccccc1[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001169832511 871902137 /nfs/dbraw/zinc/90/21/37/871902137.db2.gz WDLKJMVBWOCBJV-INIZCTEOSA-N 1 1 393.365 3.709 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552047046 871932701 /nfs/dbraw/zinc/93/27/01/871932701.db2.gz YLPBFVCRENFLEF-PMACEKPBSA-N 1 1 385.512 3.662 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000767117173 872274023 /nfs/dbraw/zinc/27/40/23/872274023.db2.gz APSHFCLRLWZBDR-KGLIPLIRSA-N 1 1 389.402 3.608 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000767117173 872274037 /nfs/dbraw/zinc/27/40/37/872274037.db2.gz APSHFCLRLWZBDR-KGLIPLIRSA-N 1 1 389.402 3.608 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl ZINC000478065718 872472248 /nfs/dbraw/zinc/47/22/48/872472248.db2.gz WRIVKDQLKZJRRQ-UHFFFAOYSA-N 1 1 386.839 3.972 20 5 GHBDMO COc1cc(C[NH+]2CC([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000619432154 872643610 /nfs/dbraw/zinc/64/36/10/872643610.db2.gz PGNYHCZYXFRLGK-KRWDZBQOSA-N 1 1 398.459 3.651 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448034769 872723685 /nfs/dbraw/zinc/72/36/85/872723685.db2.gz LGEYGXBBXONZDT-MGPUTAFESA-N 1 1 382.464 3.825 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000619638897 872823366 /nfs/dbraw/zinc/82/33/66/872823366.db2.gz CITOYCAMDXGPRR-SFHVURJKSA-N 1 1 398.463 3.732 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000541099132 872927918 /nfs/dbraw/zinc/92/79/18/872927918.db2.gz ALJMBABAYKBKDD-MAUKXSAKSA-N 1 1 398.463 3.636 20 5 GHBDMO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n1 ZINC000541247799 873237264 /nfs/dbraw/zinc/23/72/64/873237264.db2.gz ZMUUQQLJQRFVFE-UHFFFAOYSA-N 1 1 393.447 3.584 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1O ZINC000448359445 873260547 /nfs/dbraw/zinc/26/05/47/873260547.db2.gz MKBVQYYCEGOZBD-MRXNPFEDSA-N 1 1 395.253 3.820 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000448415950 873350028 /nfs/dbraw/zinc/35/00/28/873350028.db2.gz IHKPEBKHCGUBHD-CQSZACIVSA-N 1 1 375.494 3.907 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858014648 882723224 /nfs/dbraw/zinc/72/32/24/882723224.db2.gz NUMNKYTVHZQYNT-LJQANCHMSA-N 1 1 383.448 3.919 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858014648 882723239 /nfs/dbraw/zinc/72/32/39/882723239.db2.gz NUMNKYTVHZQYNT-LJQANCHMSA-N 1 1 383.448 3.919 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015791 882727186 /nfs/dbraw/zinc/72/71/86/882727186.db2.gz CGVRCSYZKYFIIX-GOSISDBHSA-N 1 1 383.448 3.789 20 5 GHBDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768891099 873651694 /nfs/dbraw/zinc/65/16/94/873651694.db2.gz AOHUESJCVMTEBJ-ZDUSSCGKSA-N 1 1 379.254 3.740 20 5 GHBDMO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000023182705 873876641 /nfs/dbraw/zinc/87/66/41/873876641.db2.gz BMMAGYTZXZAFGW-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000023182705 873876659 /nfs/dbraw/zinc/87/66/59/873876659.db2.gz BMMAGYTZXZAFGW-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)nc1 ZINC000858043199 882774216 /nfs/dbraw/zinc/77/42/16/882774216.db2.gz ULKGSPBBPFWBEH-GOSISDBHSA-N 1 1 380.404 3.607 20 5 GHBDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)nc1 ZINC000858043199 882774225 /nfs/dbraw/zinc/77/42/25/882774225.db2.gz ULKGSPBBPFWBEH-GOSISDBHSA-N 1 1 380.404 3.607 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000448773290 873948482 /nfs/dbraw/zinc/94/84/82/873948482.db2.gz HCASVWNJBILPMH-APWZRJJASA-N 1 1 395.459 3.509 20 5 GHBDMO COC(=O)CCC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769399932 874018389 /nfs/dbraw/zinc/01/83/89/874018389.db2.gz YWXGGCZOSIYNBJ-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769514878 874122379 /nfs/dbraw/zinc/12/23/79/874122379.db2.gz LYJLRBKTCQRVRX-OAHLLOKOSA-N 1 1 382.302 3.521 20 5 GHBDMO COc1cccc(NC(=O)CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000174709989 874213284 /nfs/dbraw/zinc/21/32/84/874213284.db2.gz LJJVWFSUGJHMFN-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO COc1cccc(NC(=O)CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000174709989 874213293 /nfs/dbraw/zinc/21/32/93/874213293.db2.gz LJJVWFSUGJHMFN-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000129848981 874321373 /nfs/dbraw/zinc/32/13/73/874321373.db2.gz BQOPIIJUEBCLMO-YVEFUNNKSA-N 1 1 377.441 3.608 20 5 GHBDMO CN(C)[C@@H](C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC001198907722 874723913 /nfs/dbraw/zinc/72/39/13/874723913.db2.gz FNCXHPUZOXJYJA-KRWDZBQOSA-N 1 1 378.270 3.750 20 5 GHBDMO CC[C@@H](CO)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449377752 874793354 /nfs/dbraw/zinc/79/33/54/874793354.db2.gz UHINYWSQHWMKDZ-SFHVURJKSA-N 1 1 380.448 3.650 20 5 GHBDMO COc1ccc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542034765 874819972 /nfs/dbraw/zinc/81/99/72/874819972.db2.gz JDXGXFITPKLCOS-SFHVURJKSA-N 1 1 398.463 3.732 20 5 GHBDMO COc1ccc(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542034763 874820649 /nfs/dbraw/zinc/82/06/49/874820649.db2.gz JDXGXFITPKLCOS-GOSISDBHSA-N 1 1 398.463 3.732 20 5 GHBDMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000542070155 874867170 /nfs/dbraw/zinc/86/71/70/874867170.db2.gz XPCRAWKXYYHFRJ-HNNXBMFYSA-N 1 1 387.411 3.593 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000449467346 874923781 /nfs/dbraw/zinc/92/37/81/874923781.db2.gz IWDLWEPGIGWBEK-ILZDJORESA-N 1 1 386.448 3.989 20 5 GHBDMO C[C@@H](CCNC(=O)CSc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000542189819 875116830 /nfs/dbraw/zinc/11/68/30/875116830.db2.gz CFBWAQJOHXICFZ-INIZCTEOSA-N 1 1 387.505 3.714 20 5 GHBDMO Cc1sc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000465186473 875266315 /nfs/dbraw/zinc/26/63/15/875266315.db2.gz OMACGXJNBMQMEQ-CYBMUJFWSA-N 1 1 389.477 3.938 20 5 GHBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542363151 875431505 /nfs/dbraw/zinc/43/15/05/875431505.db2.gz MUHUGSFODYYUKG-AWEZNQCLSA-N 1 1 385.917 3.673 20 5 GHBDMO C[C@H](c1ccc(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000271881176 875840159 /nfs/dbraw/zinc/84/01/59/875840159.db2.gz ZBVJTEDRKFWHHS-JKSUJKDBSA-N 1 1 398.463 3.871 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000030201650 875912040 /nfs/dbraw/zinc/91/20/40/875912040.db2.gz PSDLYESDYXNCCZ-ZDUSSCGKSA-N 1 1 391.269 3.636 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@@H]1CO ZINC000443848515 876029150 /nfs/dbraw/zinc/02/91/50/876029150.db2.gz AFZJAYGLZPZFFY-MEDUHNTESA-N 1 1 395.253 3.820 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000549961066 876041234 /nfs/dbraw/zinc/04/12/34/876041234.db2.gz XWFHMDJHLRPPAH-QFIPXVFZSA-N 1 1 387.439 3.841 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000549961066 876041249 /nfs/dbraw/zinc/04/12/49/876041249.db2.gz XWFHMDJHLRPPAH-QFIPXVFZSA-N 1 1 387.439 3.841 20 5 GHBDMO O=[N+]([O-])c1cccc2c1ccnc2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000450435531 876422399 /nfs/dbraw/zinc/42/23/99/876422399.db2.gz OYNRKBZUIRJJCT-SFHVURJKSA-N 1 1 392.459 3.712 20 5 GHBDMO COC(=O)c1nc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)ccc1Cl ZINC000850513475 876984511 /nfs/dbraw/zinc/98/45/11/876984511.db2.gz GKZBGOURVTTZSL-QGZVFWFLSA-N 1 1 389.839 3.987 20 5 GHBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000477173873 877178114 /nfs/dbraw/zinc/17/81/14/877178114.db2.gz GHEGQJSJHYNWMH-UHFFFAOYSA-N 1 1 385.464 3.588 20 5 GHBDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000610003850 877277684 /nfs/dbraw/zinc/27/76/84/877277684.db2.gz KOYLPJIFHJCKED-ZDUSSCGKSA-N 1 1 385.395 3.651 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000787411105 877375518 /nfs/dbraw/zinc/37/55/18/877375518.db2.gz OTCGNNZJPAIYDT-XIEWFSOVSA-N 1 1 382.460 3.823 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000787411105 877375531 /nfs/dbraw/zinc/37/55/31/877375531.db2.gz OTCGNNZJPAIYDT-XIEWFSOVSA-N 1 1 382.460 3.823 20 5 GHBDMO COC[C@@]1(C)CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000451202553 877566292 /nfs/dbraw/zinc/56/62/92/877566292.db2.gz PJIPBNXCIDAWAT-UNMCSNQZSA-N 1 1 397.475 3.941 20 5 GHBDMO COC[C@@]1(C)CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000451202553 877566303 /nfs/dbraw/zinc/56/63/03/877566303.db2.gz PJIPBNXCIDAWAT-UNMCSNQZSA-N 1 1 397.475 3.941 20 5 GHBDMO NC(=O)c1cccc(C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C2CC2)c1 ZINC000451207019 877575827 /nfs/dbraw/zinc/57/58/27/877575827.db2.gz ILUKGFHJQRVQPV-UHFFFAOYSA-N 1 1 393.365 3.877 20 5 GHBDMO NC(=O)c1cccc(C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C2CC2)c1 ZINC000451207019 877575841 /nfs/dbraw/zinc/57/58/41/877575841.db2.gz ILUKGFHJQRVQPV-UHFFFAOYSA-N 1 1 393.365 3.877 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000787994287 877763472 /nfs/dbraw/zinc/76/34/72/877763472.db2.gz FWOZRFCPWGLJDS-HXUWFJFHSA-N 1 1 375.469 3.613 20 5 GHBDMO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546762 878118849 /nfs/dbraw/zinc/11/88/49/878118849.db2.gz JSQLKFYMDPUGHH-WMLDXEAASA-N 1 1 379.420 3.980 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)cc1OC ZINC000451576097 878185878 /nfs/dbraw/zinc/18/58/78/878185878.db2.gz UBPVJOIRRXVSNH-HDMKZQKVSA-N 1 1 380.485 3.885 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC000852474406 878356964 /nfs/dbraw/zinc/35/69/64/878356964.db2.gz ARGQVUDHUUCYKT-SFHVURJKSA-N 1 1 381.457 3.810 20 5 GHBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852515018 878389313 /nfs/dbraw/zinc/38/93/13/878389313.db2.gz OPFZAUMSFHVTNW-HOTGVXAUSA-N 1 1 385.247 3.600 20 5 GHBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852515018 878389332 /nfs/dbraw/zinc/38/93/32/878389332.db2.gz OPFZAUMSFHVTNW-HOTGVXAUSA-N 1 1 385.247 3.600 20 5 GHBDMO COC(=O)COc1ccc(CNc2ccc([NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000788960627 878467536 /nfs/dbraw/zinc/46/75/36/878467536.db2.gz JSOAOSWGFJRKDB-UHFFFAOYSA-N 1 1 399.447 3.749 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](Cn4ccnn4)C3)o2)c(Cl)c1 ZINC000597174594 878664747 /nfs/dbraw/zinc/66/47/47/878664747.db2.gz KXISAEUOIOVEET-ZDUSSCGKSA-N 1 1 387.827 3.622 20 5 GHBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000616274985 878711829 /nfs/dbraw/zinc/71/18/29/878711829.db2.gz KPXPABIGESHOOM-SFHVURJKSA-N 1 1 397.475 3.554 20 5 GHBDMO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460972438 878894979 /nfs/dbraw/zinc/89/49/79/878894979.db2.gz YEQUKLXEABQATA-LAUBAEHRSA-N 1 1 381.476 3.821 20 5 GHBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000461028231 878991389 /nfs/dbraw/zinc/99/13/89/878991389.db2.gz PAOXLOJQPPUAQG-MRXNPFEDSA-N 1 1 384.480 3.665 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000068880069 879143327 /nfs/dbraw/zinc/14/33/27/879143327.db2.gz GOOHRTCSJCQLMJ-GOSISDBHSA-N 1 1 379.420 3.657 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000068880069 879143344 /nfs/dbraw/zinc/14/33/44/879143344.db2.gz GOOHRTCSJCQLMJ-GOSISDBHSA-N 1 1 379.420 3.657 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000853796403 879289343 /nfs/dbraw/zinc/28/93/43/879289343.db2.gz URILNRBOGSIRTG-CQSZACIVSA-N 1 1 379.819 3.566 20 5 GHBDMO O=C1[C@@H]([N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCN1Cc1ccccc1 ZINC000790322488 879598601 /nfs/dbraw/zinc/59/86/01/879598601.db2.gz QNCHVJYNTUQEEK-NRFANRHFSA-N 1 1 379.460 3.750 20 5 GHBDMO O=C1[C@@H]([N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCN1Cc1ccccc1 ZINC000790322488 879598606 /nfs/dbraw/zinc/59/86/06/879598606.db2.gz QNCHVJYNTUQEEK-NRFANRHFSA-N 1 1 379.460 3.750 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000493973682 879792114 /nfs/dbraw/zinc/79/21/14/879792114.db2.gz YDNIMASBKMOKPI-GOSISDBHSA-N 1 1 381.476 3.897 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439463 879813159 /nfs/dbraw/zinc/81/31/59/879813159.db2.gz ROBZNZNVKGDLSK-LEWJYISDSA-N 1 1 393.487 3.508 20 5 GHBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461439262 879814768 /nfs/dbraw/zinc/81/47/68/879814768.db2.gz QCNZAMAHYCCNMW-WMZOPIPTSA-N 1 1 399.878 3.842 20 5 GHBDMO Cc1sc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000461452691 879896771 /nfs/dbraw/zinc/89/67/71/879896771.db2.gz VWNHVHGECFWZNH-IRXDYDNUSA-N 1 1 385.489 3.559 20 5 GHBDMO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000130263462 880685507 /nfs/dbraw/zinc/68/55/07/880685507.db2.gz FXSOJIXFYOYWMP-SFHVURJKSA-N 1 1 397.450 3.531 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000791981650 880820472 /nfs/dbraw/zinc/82/04/72/880820472.db2.gz XHFPBYIGHCYVED-PXNSSMCTSA-N 1 1 394.475 3.540 20 5 GHBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc(F)ccc1[N+](=O)[O-] ZINC000856170282 881008427 /nfs/dbraw/zinc/00/84/27/881008427.db2.gz XMSZSFXHPNKPBN-QGZVFWFLSA-N 1 1 397.450 3.766 20 5 GHBDMO COc1cc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1C ZINC000792526089 881155773 /nfs/dbraw/zinc/15/57/73/881155773.db2.gz YBLMWQPJTTYJNX-IEBWSBKVSA-N 1 1 395.459 3.668 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000856479369 881277326 /nfs/dbraw/zinc/27/73/26/881277326.db2.gz KRSVDJHAKPKOLY-GFCCVEGCSA-N 1 1 386.279 3.753 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNc2ccncc2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000609797759 883658607 /nfs/dbraw/zinc/65/86/07/883658607.db2.gz RIFFWVWAJIOJRB-KBXCAEBGSA-N 1 1 394.397 3.926 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1)[NH+]1CCOCC1 ZINC000859234345 883685949 /nfs/dbraw/zinc/68/59/49/883685949.db2.gz OJSSEXDXHNPKPP-ZDUSSCGKSA-N 1 1 389.839 3.894 20 5 GHBDMO COC(=O)/C=C\c1ccc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000914571941 884177979 /nfs/dbraw/zinc/17/79/79/884177979.db2.gz UMGSSRHWPWLRLG-SIJIIQCFSA-N 1 1 395.459 3.640 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)cn1 ZINC000761917041 884975062 /nfs/dbraw/zinc/97/50/62/884975062.db2.gz UIPSMWYNBLZLFB-UHFFFAOYSA-N 1 1 387.359 3.682 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000532471055 885670743 /nfs/dbraw/zinc/67/07/43/885670743.db2.gz FHIXTHKUXQJKBC-QILLFSRXSA-N 1 1 375.469 3.833 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000194915302 885686894 /nfs/dbraw/zinc/68/68/94/885686894.db2.gz XSRREYPTQLXGLI-GOSISDBHSA-N 1 1 385.439 3.605 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000762250875 885851430 /nfs/dbraw/zinc/85/14/30/885851430.db2.gz MCFMYYRARNNHJJ-ASNOHIGWSA-N 1 1 385.851 3.823 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000762250875 885851434 /nfs/dbraw/zinc/85/14/34/885851434.db2.gz MCFMYYRARNNHJJ-ASNOHIGWSA-N 1 1 385.851 3.823 20 5 GHBDMO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1ccccc1 ZINC000532500176 885878511 /nfs/dbraw/zinc/87/85/11/885878511.db2.gz ZEHUFIVBTZAQSF-CQSZACIVSA-N 1 1 391.855 3.896 20 5 GHBDMO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1ccccc1 ZINC000532500176 885878526 /nfs/dbraw/zinc/87/85/26/885878526.db2.gz ZEHUFIVBTZAQSF-CQSZACIVSA-N 1 1 391.855 3.896 20 5 GHBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532579541 886163539 /nfs/dbraw/zinc/16/35/39/886163539.db2.gz OZQNWAFSYXLEAA-WMLDXEAASA-N 1 1 383.423 3.501 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000915308379 886299122 /nfs/dbraw/zinc/29/91/22/886299122.db2.gz FMKZEEKDIGNJQO-NSHDSACASA-N 1 1 394.884 3.878 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000915308379 886299140 /nfs/dbraw/zinc/29/91/40/886299140.db2.gz FMKZEEKDIGNJQO-NSHDSACASA-N 1 1 394.884 3.878 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000556868163 886419815 /nfs/dbraw/zinc/41/98/15/886419815.db2.gz PNGHDBUCZFZNIU-IBGZPJMESA-N 1 1 380.448 3.865 20 5 GHBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762686593 886705323 /nfs/dbraw/zinc/70/53/23/886705323.db2.gz MIAQQIJTAUWJJT-UHFFFAOYSA-N 1 1 397.450 3.862 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000747527499 886767434 /nfs/dbraw/zinc/76/74/34/886767434.db2.gz BZJKFNVPQHIUAV-OAHLLOKOSA-N 1 1 393.484 3.730 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000747527499 886767448 /nfs/dbraw/zinc/76/74/48/886767448.db2.gz BZJKFNVPQHIUAV-OAHLLOKOSA-N 1 1 393.484 3.730 20 5 GHBDMO Cc1nn(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000863303540 887018023 /nfs/dbraw/zinc/01/80/23/887018023.db2.gz VPDWQQOKOLZXIA-CJNGLKHVSA-N 1 1 388.468 3.510 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000863303540 887018039 /nfs/dbraw/zinc/01/80/39/887018039.db2.gz VPDWQQOKOLZXIA-CJNGLKHVSA-N 1 1 388.468 3.510 20 5 GHBDMO Cn1c[nH+]cc1CCc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 ZINC000809364801 887374028 /nfs/dbraw/zinc/37/40/28/887374028.db2.gz ZIPZZOMLGBGPBC-UHFFFAOYSA-N 1 1 391.387 3.956 20 5 GHBDMO COCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000272426909 887478008 /nfs/dbraw/zinc/47/80/08/887478008.db2.gz IWJYZLASLATTLE-IAQYHMDHSA-N 1 1 381.816 3.536 20 5 GHBDMO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(N)=O ZINC000794717438 887963941 /nfs/dbraw/zinc/96/39/41/887963941.db2.gz MUVKZDHFLQORFW-ZUZCIYMTSA-N 1 1 382.247 3.649 20 5 GHBDMO O=[N+]([O-])c1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000810019688 888086804 /nfs/dbraw/zinc/08/68/04/888086804.db2.gz ONCVDEZMTREBDY-QGZVFWFLSA-N 1 1 376.840 3.918 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)[C@@H]1c1cccs1 ZINC000865558676 888443566 /nfs/dbraw/zinc/44/35/66/888443566.db2.gz NSEXXDCVITWLSS-KZULUSFZSA-N 1 1 379.457 3.783 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001168265575 888556184 /nfs/dbraw/zinc/55/61/84/888556184.db2.gz SRRATECVUFVQQT-SCLBCKFNSA-N 1 1 394.313 3.806 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001168265574 888557106 /nfs/dbraw/zinc/55/71/06/888557106.db2.gz SRRATECVUFVQQT-FZKQIMNGSA-N 1 1 394.313 3.806 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001132307113 888580097 /nfs/dbraw/zinc/58/00/97/888580097.db2.gz LIWNRQIEAYJDGX-FUHWJXTLSA-N 1 1 399.516 3.571 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001132338048 888622979 /nfs/dbraw/zinc/62/29/79/888622979.db2.gz HFKROMLHMXNHKM-GOSISDBHSA-N 1 1 397.475 3.778 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCSCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000866542736 888925665 /nfs/dbraw/zinc/92/56/65/888925665.db2.gz MDGRBVOLRNADEC-AWEZNQCLSA-N 1 1 388.415 3.693 20 5 GHBDMO CNc1ccc(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000532798847 888964182 /nfs/dbraw/zinc/96/41/82/888964182.db2.gz QAJMQSHJJYZKOI-AEFFLSMTSA-N 1 1 396.491 3.667 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@H+]1C ZINC000123404294 888987103 /nfs/dbraw/zinc/98/71/03/888987103.db2.gz NFNACNUOWJHWFX-SJLPKXTDSA-N 1 1 396.491 3.762 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000532795697 889003521 /nfs/dbraw/zinc/00/35/21/889003521.db2.gz QHXWIZNTGBGZKR-YLJYHZDGSA-N 1 1 396.491 3.695 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000154135191 889320171 /nfs/dbraw/zinc/32/01/71/889320171.db2.gz QECGTUBHOMQVOG-ZDUSSCGKSA-N 1 1 379.810 3.954 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccc2ccccc21 ZINC000532919008 889327227 /nfs/dbraw/zinc/32/72/27/889327227.db2.gz BQBBDZLKDDCQMX-UHFFFAOYSA-N 1 1 375.428 3.769 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000532990168 889516145 /nfs/dbraw/zinc/51/61/45/889516145.db2.gz JFVYDDBEXKWPCA-LBPRGKRZSA-N 1 1 399.875 3.629 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000532990168 889516154 /nfs/dbraw/zinc/51/61/54/889516154.db2.gz JFVYDDBEXKWPCA-LBPRGKRZSA-N 1 1 399.875 3.629 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533021791 889527225 /nfs/dbraw/zinc/52/72/25/889527225.db2.gz CAUXNVZNDGKJEX-CQSZACIVSA-N 1 1 391.431 3.587 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533021791 889527238 /nfs/dbraw/zinc/52/72/38/889527238.db2.gz CAUXNVZNDGKJEX-CQSZACIVSA-N 1 1 391.431 3.587 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)s1 ZINC000533009809 889547486 /nfs/dbraw/zinc/54/74/86/889547486.db2.gz ZGNFESGAWHVVEW-UHFFFAOYSA-N 1 1 399.451 3.575 20 5 GHBDMO CC(C)[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1F ZINC000533251227 890096608 /nfs/dbraw/zinc/09/66/08/890096608.db2.gz VGOYCHNQECDXCO-UHFFFAOYSA-N 1 1 387.411 3.943 20 5 GHBDMO C[N@@H+](CCc1ccc(Br)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154158576 890138671 /nfs/dbraw/zinc/13/86/71/890138671.db2.gz ATOFXGXSMYIRGP-KRWDZBQOSA-N 1 1 379.254 3.565 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812289698 890509703 /nfs/dbraw/zinc/50/97/03/890509703.db2.gz ODUHWDUWZZJSPW-KRWDZBQOSA-N 1 1 387.867 3.696 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812289698 890509709 /nfs/dbraw/zinc/50/97/09/890509709.db2.gz ODUHWDUWZZJSPW-KRWDZBQOSA-N 1 1 387.867 3.696 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000812840269 891028265 /nfs/dbraw/zinc/02/82/65/891028265.db2.gz GZBDZXNDQLHGPT-TWILYEHCSA-N 1 1 377.441 3.655 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000872036371 891128620 /nfs/dbraw/zinc/12/86/20/891128620.db2.gz UQEGNJACQDZGAV-RHSMWYFYSA-N 1 1 379.526 3.611 20 5 GHBDMO Cc1cc(F)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000296662022 891136195 /nfs/dbraw/zinc/13/61/95/891136195.db2.gz GNKNBPPTIBVZMX-DYVFJYSZSA-N 1 1 376.432 3.523 20 5 GHBDMO CC(C)[C@@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC000813171869 891330675 /nfs/dbraw/zinc/33/06/75/891330675.db2.gz VZXQMFLUPMXCAB-VQTJNVASSA-N 1 1 383.448 3.547 20 5 GHBDMO CC(C)[C@@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC000813171869 891330694 /nfs/dbraw/zinc/33/06/94/891330694.db2.gz VZXQMFLUPMXCAB-VQTJNVASSA-N 1 1 383.448 3.547 20 5 GHBDMO O=C(Cc1c[nH]c2ccc(F)cc12)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172175 891334965 /nfs/dbraw/zinc/33/49/65/891334965.db2.gz BFRNLYPWKPQTMC-SFHVURJKSA-N 1 1 397.406 3.575 20 5 GHBDMO O=C(Cc1c[nH]c2ccc(F)cc12)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172175 891334979 /nfs/dbraw/zinc/33/49/79/891334979.db2.gz BFRNLYPWKPQTMC-SFHVURJKSA-N 1 1 397.406 3.575 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001126754413 891510622 /nfs/dbraw/zinc/51/06/22/891510622.db2.gz SLQIMCZDJATOTB-QFBILLFUSA-N 1 1 381.476 3.995 20 5 GHBDMO Cc1c(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000067662393 891617534 /nfs/dbraw/zinc/61/75/34/891617534.db2.gz XXADSHTYCHNYTB-SFHVURJKSA-N 1 1 382.464 3.937 20 5 GHBDMO Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000917211566 891630126 /nfs/dbraw/zinc/63/01/26/891630126.db2.gz FPBPRDSMLWGFFQ-GOSISDBHSA-N 1 1 396.491 3.751 20 5 GHBDMO Cc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000917211566 891630137 /nfs/dbraw/zinc/63/01/37/891630137.db2.gz FPBPRDSMLWGFFQ-GOSISDBHSA-N 1 1 396.491 3.751 20 5 GHBDMO C[N@H+]1CCCN(c2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000814318745 892518421 /nfs/dbraw/zinc/51/84/21/892518421.db2.gz UYFPXRZKQAJGKY-UHFFFAOYSA-N 1 1 396.491 3.653 20 5 GHBDMO COc1cccc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000192501933 892626385 /nfs/dbraw/zinc/62/63/85/892626385.db2.gz KDXCZWIERLCOPN-UHFFFAOYSA-N 1 1 397.475 3.588 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000747966641 893023897 /nfs/dbraw/zinc/02/38/97/893023897.db2.gz HEQNLEXVYNJEMP-GFCCVEGCSA-N 1 1 379.810 3.954 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000933458036 893047900 /nfs/dbraw/zinc/04/79/00/893047900.db2.gz WXPWDUTZTGVDJR-DLVXIWMQSA-N 1 1 399.516 3.959 20 5 GHBDMO Cc1noc(C[C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)n1 ZINC000933569688 893081304 /nfs/dbraw/zinc/08/13/04/893081304.db2.gz LWVNVDQUEUDHBK-GFCCVEGCSA-N 1 1 395.257 3.503 20 5 GHBDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)n1 ZINC000933569688 893081325 /nfs/dbraw/zinc/08/13/25/893081325.db2.gz LWVNVDQUEUDHBK-GFCCVEGCSA-N 1 1 395.257 3.503 20 5 GHBDMO COC[C@H]1CC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000536673835 893510941 /nfs/dbraw/zinc/51/09/41/893510941.db2.gz UGFGOVHYFLASQP-KRWDZBQOSA-N 1 1 386.448 3.651 20 5 GHBDMO C[C@@H](c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1)C(F)(F)F ZINC000459504219 893649449 /nfs/dbraw/zinc/64/94/49/893649449.db2.gz HQBVQBKCUSYYQE-AWEZNQCLSA-N 1 1 394.397 3.978 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC(OCc3ccccc3)CC2)o1 ZINC000877897038 893880032 /nfs/dbraw/zinc/88/00/32/893880032.db2.gz OLFULJDYVXDWAR-UHFFFAOYSA-N 1 1 394.431 3.826 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459674149 894046349 /nfs/dbraw/zinc/04/63/49/894046349.db2.gz KFGIHTHVJQEJJO-IEBWSBKVSA-N 1 1 383.448 3.810 20 5 GHBDMO CSC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878647352 894482016 /nfs/dbraw/zinc/48/20/16/894482016.db2.gz LTQACGNNQQVSLG-NSHDSACASA-N 1 1 382.873 3.873 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC001135520937 894726709 /nfs/dbraw/zinc/72/67/09/894726709.db2.gz FSZQILVLTSUKLP-UHFFFAOYSA-N 1 1 385.489 3.583 20 5 GHBDMO COc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000816450643 894840738 /nfs/dbraw/zinc/84/07/38/894840738.db2.gz AQYXROYYOALQNM-KXBFYZLASA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000565795088 895885260 /nfs/dbraw/zinc/88/52/60/895885260.db2.gz JAOOQVDFQBXNCO-OXJNMPFZSA-N 1 1 381.476 3.652 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881101406 896138135 /nfs/dbraw/zinc/13/81/35/896138135.db2.gz OONDGAJDNHSLAU-VFNWGFHPSA-N 1 1 377.448 3.963 20 5 GHBDMO C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778533067 896272977 /nfs/dbraw/zinc/27/29/77/896272977.db2.gz YQDIKSPRLYCNNF-NVXWUHKLSA-N 1 1 384.505 3.792 20 5 GHBDMO C[C@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000567137874 896904896 /nfs/dbraw/zinc/90/48/96/896904896.db2.gz YNGDILSOIZGUGL-MGPUTAFESA-N 1 1 399.466 3.791 20 5 GHBDMO CC(=O)c1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000567377299 897103637 /nfs/dbraw/zinc/10/36/37/897103637.db2.gz HISNURZIAVRGFN-IBGZPJMESA-N 1 1 383.448 3.500 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823598253 899122132 /nfs/dbraw/zinc/12/21/32/899122132.db2.gz GUHYDBZXWRUSRI-XOBRGWDASA-N 1 1 382.420 3.545 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001136759626 899178859 /nfs/dbraw/zinc/17/88/59/899178859.db2.gz JHUHRRGTZZFKSF-INIZCTEOSA-N 1 1 389.496 3.575 20 5 GHBDMO C[C@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332385998 899627016 /nfs/dbraw/zinc/62/70/16/899627016.db2.gz BVUFBOBJQDDCIT-QSJFSLAZSA-N 1 1 377.460 3.701 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c(F)c1 ZINC000332460284 899684978 /nfs/dbraw/zinc/68/49/78/899684978.db2.gz PBUPKPHKPIGMMO-UHFFFAOYSA-N 1 1 383.221 3.530 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](O)CC3)o2)c(Br)c1 ZINC000574429301 900887784 /nfs/dbraw/zinc/88/77/84/900887784.db2.gz DAJCFRQPLUZAEA-CYBMUJFWSA-N 1 1 395.253 3.964 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000575074346 901106540 /nfs/dbraw/zinc/10/65/40/901106540.db2.gz VBVWOULGONZHJU-UHFFFAOYSA-N 1 1 381.354 3.727 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000575074346 901106546 /nfs/dbraw/zinc/10/65/46/901106546.db2.gz VBVWOULGONZHJU-UHFFFAOYSA-N 1 1 381.354 3.727 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000158420509 901407875 /nfs/dbraw/zinc/40/78/75/901407875.db2.gz JJEHANRRUPGQJF-GJZGRUSLSA-N 1 1 379.526 3.898 20 5 GHBDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406643 901978038 /nfs/dbraw/zinc/97/80/38/901978038.db2.gz KXGBEYQIDYOBPZ-GOSISDBHSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406643 901978046 /nfs/dbraw/zinc/97/80/46/901978046.db2.gz KXGBEYQIDYOBPZ-GOSISDBHSA-N 1 1 380.404 3.991 20 5 GHBDMO Cc1cc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001186621640 914665786 /nfs/dbraw/zinc/66/57/86/914665786.db2.gz WXSXCBJQZCDXSX-QGZVFWFLSA-N 1 1 391.475 3.715 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)[NH+]1CCOCC1 ZINC000264431510 903088552 /nfs/dbraw/zinc/08/85/52/903088552.db2.gz KSKPJVNPJKBVNH-ZDUSSCGKSA-N 1 1 389.839 3.894 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000577717441 903100110 /nfs/dbraw/zinc/10/01/10/903100110.db2.gz YIYIOODKHPZWQB-CRAIPNDOSA-N 1 1 398.463 3.778 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccsc2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000601136649 903377223 /nfs/dbraw/zinc/37/72/23/903377223.db2.gz INLPNCDGNFXCSP-UHFFFAOYSA-N 1 1 376.356 3.982 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000601303334 903555168 /nfs/dbraw/zinc/55/51/68/903555168.db2.gz FAXRNULACLFJIO-OALUTQOASA-N 1 1 384.480 3.747 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000601303335 903555462 /nfs/dbraw/zinc/55/54/62/903555462.db2.gz FAXRNULACLFJIO-RBUKOAKNSA-N 1 1 384.480 3.747 20 5 GHBDMO CCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@@H]1CC[N@@H+](CC)C1 ZINC001146909851 903636431 /nfs/dbraw/zinc/63/64/31/903636431.db2.gz FFVNGRBUKFNCJT-SECBINFHSA-N 1 1 378.231 3.597 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000578469581 903874819 /nfs/dbraw/zinc/87/48/19/903874819.db2.gz QAWZPEMNBBJYRF-WBHUJUFNSA-N 1 1 390.465 3.757 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000578469581 903874834 /nfs/dbraw/zinc/87/48/34/903874834.db2.gz QAWZPEMNBBJYRF-WBHUJUFNSA-N 1 1 390.465 3.757 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)s1 ZINC000578508111 903916739 /nfs/dbraw/zinc/91/67/39/903916739.db2.gz WBRAPDQYHUVPPO-AWEZNQCLSA-N 1 1 381.461 3.800 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000579057510 904320080 /nfs/dbraw/zinc/32/00/80/904320080.db2.gz XLLHAUHMTTVOAU-DOTOQJQBSA-N 1 1 385.439 3.934 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000826657220 904708489 /nfs/dbraw/zinc/70/84/89/904708489.db2.gz FDIQBNSMHKSIMZ-UHFFFAOYSA-N 1 1 379.819 3.558 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001171455678 904719751 /nfs/dbraw/zinc/71/97/51/904719751.db2.gz CJZDLNUCIJIXPJ-HOCLYGCPSA-N 1 1 375.469 3.690 20 5 GHBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC[C@H]21 ZINC001171813606 905070592 /nfs/dbraw/zinc/07/05/92/905070592.db2.gz BLCPMOXFKNKPNV-OXQOHEQNSA-N 1 1 397.500 3.912 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000174033585 905190670 /nfs/dbraw/zinc/19/06/70/905190670.db2.gz KSMRFAQEXHETDC-CQSZACIVSA-N 1 1 382.420 3.716 20 5 GHBDMO CC(C)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C ZINC000777305526 905791508 /nfs/dbraw/zinc/79/15/08/905791508.db2.gz OZSURCJHOUQPAE-GOSISDBHSA-N 1 1 377.485 3.520 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801600368 921178411 /nfs/dbraw/zinc/17/84/11/921178411.db2.gz PBJIHRZIVASJLQ-QGZVFWFLSA-N 1 1 377.485 3.716 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCO[C@@H](COc3ccccc3)C1)CC2 ZINC001172920046 905990848 /nfs/dbraw/zinc/99/08/48/905990848.db2.gz IAZIYFNSXSJLJC-SIKLNZKXSA-N 1 1 382.460 3.622 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+](Cc1cccnc1)C1CCOCC1)CC2 ZINC001172912513 906022209 /nfs/dbraw/zinc/02/22/09/906022209.db2.gz BCFYXUTUUHNGBM-FQEVSTJZSA-N 1 1 381.476 3.918 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2)c1F ZINC001173189582 906269583 /nfs/dbraw/zinc/26/95/83/906269583.db2.gz LBBUOIXOKVIMIS-CYBMUJFWSA-N 1 1 392.427 3.823 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)Cc2cccc3c2OCO3)c1F ZINC001173191964 906275767 /nfs/dbraw/zinc/27/57/67/906275767.db2.gz GULQXSNGTAMADA-GFCCVEGCSA-N 1 1 376.384 3.534 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1F ZINC001173192031 906276005 /nfs/dbraw/zinc/27/60/05/906276005.db2.gz HIUQLWLUHLIMMM-CZUORRHYSA-N 1 1 392.402 3.966 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1F ZINC001173193619 906277313 /nfs/dbraw/zinc/27/73/13/906277313.db2.gz UQZYXAWHQIAOCK-CABCVRRESA-N 1 1 389.427 3.530 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001173218897 906295985 /nfs/dbraw/zinc/29/59/85/906295985.db2.gz SRAWIRRBXGTXJU-CJNGLKHVSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001173221693 906299615 /nfs/dbraw/zinc/29/96/15/906299615.db2.gz LIWPPQYUUFCFAW-KKSFZXQISA-N 1 1 389.496 3.859 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001173223460 906303100 /nfs/dbraw/zinc/30/31/00/906303100.db2.gz FXUQKSAOYLGBMO-XXBNENTESA-N 1 1 395.503 3.897 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001173223997 906305559 /nfs/dbraw/zinc/30/55/59/906305559.db2.gz DCSHAOZTIHYRRF-MAUKXSAKSA-N 1 1 377.485 3.905 20 5 GHBDMO CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173238111 906347734 /nfs/dbraw/zinc/34/77/34/906347734.db2.gz NFRHMEDDTMRGOY-XXBNENTESA-N 1 1 397.519 3.749 20 5 GHBDMO CC(C)[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001174574771 907092878 /nfs/dbraw/zinc/09/28/78/907092878.db2.gz OEMUVAQPQSJQNS-JOCHJYFZSA-N 1 1 383.492 3.816 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C)[C@H]2CO)cc1OC ZINC001175004203 907321625 /nfs/dbraw/zinc/32/16/25/907321625.db2.gz OBSWEGLVMGFKMA-HDMKZQKVSA-N 1 1 380.485 3.621 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000183608196 907421555 /nfs/dbraw/zinc/42/15/55/907421555.db2.gz JLBVYHQKAICDDQ-WBVHZDCISA-N 1 1 383.452 3.507 20 5 GHBDMO CC1CC[NH+](CC[C@@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001175353021 907514991 /nfs/dbraw/zinc/51/49/91/907514991.db2.gz SQGYSENCTYEJAP-SFHVURJKSA-N 1 1 388.512 3.510 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)O1 ZINC001175678436 907689136 /nfs/dbraw/zinc/68/91/36/907689136.db2.gz QIUYPWBQWVDDCR-VGOFRKELSA-N 1 1 399.466 3.599 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](C(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC001175883455 907791217 /nfs/dbraw/zinc/79/12/17/907791217.db2.gz VEWHSBOGUZASSD-FXAWDEMLSA-N 1 1 397.475 3.676 20 5 GHBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176971131 908339107 /nfs/dbraw/zinc/33/91/07/908339107.db2.gz JNHBXIHXPQKNAR-UHFFFAOYSA-N 1 1 393.484 3.553 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193789103 908713829 /nfs/dbraw/zinc/71/38/29/908713829.db2.gz GXQKKQHIPLJZCM-SJLPKXTDSA-N 1 1 399.516 3.714 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)o1 ZINC001177804775 908764705 /nfs/dbraw/zinc/76/47/05/908764705.db2.gz RKYSUQRLKCZSHC-SFHVURJKSA-N 1 1 385.464 3.588 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)CCC2 ZINC000192933024 908835371 /nfs/dbraw/zinc/83/53/71/908835371.db2.gz CESRMHSDFDXXRB-HSZRJFAPSA-N 1 1 395.503 3.719 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000267008242 909365617 /nfs/dbraw/zinc/36/56/17/909365617.db2.gz LBEWWEOJAFBWKN-UHFFFAOYSA-N 1 1 399.447 3.550 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cc(F)c(Br)cc2F)cc1[N+](=O)[O-] ZINC001179358400 909483366 /nfs/dbraw/zinc/48/33/66/909483366.db2.gz DPJWUBTYWYAGKL-UHFFFAOYSA-N 1 1 387.180 3.934 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H](C)N1CCCC1=O ZINC001181312614 910704973 /nfs/dbraw/zinc/70/49/73/910704973.db2.gz FFZGKHSSVBDZMU-HNNXBMFYSA-N 1 1 390.487 3.712 20 5 GHBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1OC(F)F ZINC000271610454 910984144 /nfs/dbraw/zinc/98/41/44/910984144.db2.gz KEYHICMYJZSCIY-RYUDHWBXSA-N 1 1 379.363 3.874 20 5 GHBDMO Cc1cc(N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC001186922919 914902787 /nfs/dbraw/zinc/90/27/87/914902787.db2.gz SGTODLVHNLITAZ-LEWJYISDSA-N 1 1 385.439 3.522 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000303754299 915085879 /nfs/dbraw/zinc/08/58/79/915085879.db2.gz MQMYQCCHNDDWIJ-CVEARBPZSA-N 1 1 383.448 3.728 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001187362603 915197052 /nfs/dbraw/zinc/19/70/52/915197052.db2.gz ZWMKARSXXAUYMU-QGZVFWFLSA-N 1 1 375.856 3.870 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCO[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001187362603 915197057 /nfs/dbraw/zinc/19/70/57/915197057.db2.gz ZWMKARSXXAUYMU-QGZVFWFLSA-N 1 1 375.856 3.870 20 5 GHBDMO CCOc1cc(N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001187534029 915335243 /nfs/dbraw/zinc/33/52/43/915335243.db2.gz NGHWSCVAJAUWAS-GCJKJVERSA-N 1 1 381.476 3.952 20 5 GHBDMO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000775130246 915372759 /nfs/dbraw/zinc/37/27/59/915372759.db2.gz NQEWNBQAPQPHED-MRXNPFEDSA-N 1 1 391.855 3.614 20 5 GHBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000293362931 916151030 /nfs/dbraw/zinc/15/10/30/916151030.db2.gz CWFBGTBLJZSBLK-QWHCGFSZSA-N 1 1 399.413 3.996 20 5 GHBDMO C[C@@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294687003 916933450 /nfs/dbraw/zinc/93/34/50/916933450.db2.gz IKBFUQNSEDSVPX-MRXNPFEDSA-N 1 1 379.464 3.857 20 5 GHBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1 ZINC000362336321 917215059 /nfs/dbraw/zinc/21/50/59/917215059.db2.gz ODXQZJRQTLVWIS-RHSMWYFYSA-N 1 1 385.489 3.814 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001190596962 917439666 /nfs/dbraw/zinc/43/96/66/917439666.db2.gz IBZRFGNZFUAWCF-LJQANCHMSA-N 1 1 383.448 3.639 20 5 GHBDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001191155952 917789262 /nfs/dbraw/zinc/78/92/62/917789262.db2.gz JIEWXYVWTFGQKI-AEFFLSMTSA-N 1 1 379.460 3.670 20 5 GHBDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC001191257736 917851223 /nfs/dbraw/zinc/85/12/23/917851223.db2.gz KPZHYZIANNDPMI-BXWFABGCSA-N 1 1 388.464 3.963 20 5 GHBDMO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119798540 919654767 /nfs/dbraw/zinc/65/47/67/919654767.db2.gz BDTOQQUPDFTXDZ-SFHVURJKSA-N 1 1 397.450 3.531 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364762190 919959803 /nfs/dbraw/zinc/95/98/03/919959803.db2.gz NSJNYBBUDSFOQD-DZGCQCFKSA-N 1 1 388.855 3.535 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364762190 919959814 /nfs/dbraw/zinc/95/98/14/919959814.db2.gz NSJNYBBUDSFOQD-DZGCQCFKSA-N 1 1 388.855 3.535 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)C1 ZINC000801523686 921095799 /nfs/dbraw/zinc/09/57/99/921095799.db2.gz FMZCVLOIIJIBOA-HNNXBMFYSA-N 1 1 379.432 3.708 20 5 GHBDMO COc1cc(NC2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)cc(OC)c1 ZINC000801524580 921096388 /nfs/dbraw/zinc/09/63/88/921096388.db2.gz VDZXVAUDYBFMQW-UHFFFAOYSA-N 1 1 389.427 3.828 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cc(OC)c1 ZINC000801524750 921097990 /nfs/dbraw/zinc/09/79/90/921097990.db2.gz ZERZVNJJROCMNI-HNNXBMFYSA-N 1 1 389.427 3.828 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cc(OC)c1 ZINC000801524750 921097999 /nfs/dbraw/zinc/09/79/99/921097999.db2.gz ZERZVNJJROCMNI-HNNXBMFYSA-N 1 1 389.427 3.828 20 5 GHBDMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000367452263 922113561 /nfs/dbraw/zinc/11/35/61/922113561.db2.gz SXVQGMUWEXJXOL-ZDUSSCGKSA-N 1 1 381.392 3.848 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cccc(-n4cncn4)c3)cs2)c1 ZINC000369413753 923329702 /nfs/dbraw/zinc/32/97/02/923329702.db2.gz ZOQZXIGILQRQNP-UHFFFAOYSA-N 1 1 392.444 3.589 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000726601062 926755507 /nfs/dbraw/zinc/75/55/07/926755507.db2.gz PQJKUDHOKOSOFT-QAPCUYQASA-N 1 1 377.485 3.905 20 5 GHBDMO Cc1cc(N2CCC(Nc3nc4ccc([N+](=O)[O-])cc4s3)CC2)nc(C)[nH+]1 ZINC000750029078 927396442 /nfs/dbraw/zinc/39/64/42/927396442.db2.gz FBWPOJHVXHKKKS-UHFFFAOYSA-N 1 1 384.465 3.692 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CCCc3c2cnn3CCO)c2ccccc2)c1 ZINC000374917419 927697681 /nfs/dbraw/zinc/69/76/81/927697681.db2.gz YEJXVFNHTZDINZ-IRLDBZIGSA-N 1 1 392.459 3.540 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H](O)c3ccccc3)n2)c1 ZINC000750608417 927746114 /nfs/dbraw/zinc/74/61/14/927746114.db2.gz GMYJDCNABVPLSH-QUCCMNQESA-N 1 1 394.431 3.733 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000544192653 928915467 /nfs/dbraw/zinc/91/54/67/928915467.db2.gz UWNPNBAYFBFURX-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000544235294 928963486 /nfs/dbraw/zinc/96/34/86/928963486.db2.gz DUZPBKSEPLIUPU-ZDUSSCGKSA-N 1 1 385.917 3.531 20 5 GHBDMO Cc1c(Br)c(N2CCC(C[N@H+](C)C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000544410572 929143999 /nfs/dbraw/zinc/14/39/99/929143999.db2.gz RUBUVGDPNJAQTB-UHFFFAOYSA-N 1 1 385.306 3.617 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000753094750 929201640 /nfs/dbraw/zinc/20/16/40/929201640.db2.gz OMHCTKYRDZJXNH-UHFFFAOYSA-N 1 1 377.460 3.771 20 5 GHBDMO Cc1ccc(-c2noc([C@H](C)[NH2+]CCOc3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000544508823 929243098 /nfs/dbraw/zinc/24/30/98/929243098.db2.gz DTHCZGBBSJUNLN-ZDUSSCGKSA-N 1 1 386.383 3.822 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[N@H+]1Cc1ccccc1 ZINC000753293805 929288998 /nfs/dbraw/zinc/28/89/98/929288998.db2.gz QMMIPBPMYQPGIS-RDJZCZTQSA-N 1 1 385.439 3.764 20 5 GHBDMO CC[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1Cc1ccccc1 ZINC000544770121 929562769 /nfs/dbraw/zinc/56/27/69/929562769.db2.gz UPRXOJPNBHTQLY-KRWDZBQOSA-N 1 1 392.459 3.813 20 5 GHBDMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000546586370 930278870 /nfs/dbraw/zinc/27/88/70/930278870.db2.gz HCPBHCTVJJPLPA-GOSISDBHSA-N 1 1 389.452 3.778 20 5 GHBDMO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000546586370 930278878 /nfs/dbraw/zinc/27/88/78/930278878.db2.gz HCPBHCTVJJPLPA-GOSISDBHSA-N 1 1 389.452 3.778 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000546681969 930354492 /nfs/dbraw/zinc/35/44/92/930354492.db2.gz NBVHQQNGGLXZDP-LJQANCHMSA-N 1 1 395.463 3.812 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000470126550 930391304 /nfs/dbraw/zinc/39/13/04/930391304.db2.gz RGPPFFIDVHZVOQ-SJORKVTESA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000470126550 930391311 /nfs/dbraw/zinc/39/13/11/930391311.db2.gz RGPPFFIDVHZVOQ-SJORKVTESA-N 1 1 392.818 3.954 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000470168369 930425893 /nfs/dbraw/zinc/42/58/93/930425893.db2.gz ZWFIVWSFLCGBQY-FQEVSTJZSA-N 1 1 387.455 3.549 20 5 GHBDMO C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781381770 930824811 /nfs/dbraw/zinc/82/48/11/930824811.db2.gz ODIMIWOTZUARRZ-KBPBESRZSA-N 1 1 394.903 3.700 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C1 ZINC000781627632 930915080 /nfs/dbraw/zinc/91/50/80/930915080.db2.gz CPDLULSSQKDCRR-UHFFFAOYSA-N 1 1 398.419 3.800 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C1 ZINC000781627632 930915089 /nfs/dbraw/zinc/91/50/89/930915089.db2.gz CPDLULSSQKDCRR-UHFFFAOYSA-N 1 1 398.419 3.800 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000470969031 931064980 /nfs/dbraw/zinc/06/49/80/931064980.db2.gz UBXPPYGFRJSMFD-FUHWJXTLSA-N 1 1 397.475 3.634 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000782511717 931248548 /nfs/dbraw/zinc/24/85/48/931248548.db2.gz FZHMHQZEXYOQFX-CVEARBPZSA-N 1 1 379.432 3.708 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000782511717 931248559 /nfs/dbraw/zinc/24/85/59/931248559.db2.gz FZHMHQZEXYOQFX-CVEARBPZSA-N 1 1 379.432 3.708 20 5 GHBDMO O=C(CC[N@@H+]1CCc2ccc(Cl)cc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782523706 931256525 /nfs/dbraw/zinc/25/65/25/931256525.db2.gz FQIQYUBRTDIBPB-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO O=C(CC[N@H+]1CCc2ccc(Cl)cc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782523706 931256529 /nfs/dbraw/zinc/25/65/29/931256529.db2.gz FQIQYUBRTDIBPB-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO COC(=O)c1cc(C)nc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1[N+](=O)[O-] ZINC000557477692 931459923 /nfs/dbraw/zinc/45/99/23/931459923.db2.gz GFFQOVLNFOMJAL-UHFFFAOYSA-N 1 1 395.419 3.905 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc1Cl ZINC000783680274 931616075 /nfs/dbraw/zinc/61/60/75/931616075.db2.gz VJTSNTBZNQJECT-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO CCC[N@H+]1CCC[C@H]1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000557761553 931663807 /nfs/dbraw/zinc/66/38/07/931663807.db2.gz HMIIMAATEBFRSI-JTQLQIEISA-N 1 1 382.333 3.930 20 5 GHBDMO C/C(=C/C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783893279 931706424 /nfs/dbraw/zinc/70/64/24/931706424.db2.gz IUMYDBKBBRPKLC-ICFOKQHNSA-N 1 1 379.460 3.563 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000558734669 932200523 /nfs/dbraw/zinc/20/05/23/932200523.db2.gz SDZBYMPEJNXMJC-UHFFFAOYSA-N 1 1 385.420 3.704 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558743784 932206740 /nfs/dbraw/zinc/20/67/40/932206740.db2.gz XMGGHFSMHSJAQT-HNNXBMFYSA-N 1 1 385.386 3.978 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc([N+](=O)[O-])cc1Br ZINC000798396950 932629268 /nfs/dbraw/zinc/62/92/68/932629268.db2.gz NWQNUWNEZSBWQO-UHFFFAOYSA-N 1 1 388.225 3.859 20 5 GHBDMO C[C@@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000798528814 932693654 /nfs/dbraw/zinc/69/36/54/932693654.db2.gz GEJJIFIPKMBCJL-ZHRRBRCNSA-N 1 1 399.466 3.866 20 5 GHBDMO C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCN(Cc2ccccc2)C1 ZINC000798934742 932823276 /nfs/dbraw/zinc/82/32/76/932823276.db2.gz HZSMDZNYJXSVQZ-JAXLGGSGSA-N 1 1 397.523 3.777 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000799155724 932890688 /nfs/dbraw/zinc/89/06/88/932890688.db2.gz JVUBEPNLUJJAAN-XGWTYTTDSA-N 1 1 392.887 3.817 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc([N+](=O)[O-])cc3C)C2)s1 ZINC000560483241 933283786 /nfs/dbraw/zinc/28/37/86/933283786.db2.gz ZMQGFBNNDPCUPY-INIZCTEOSA-N 1 1 387.505 3.867 20 5 GHBDMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116545679 933624627 /nfs/dbraw/zinc/62/46/27/933624627.db2.gz KETCVGCVYAWRAF-MRXNPFEDSA-N 1 1 394.475 3.944 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1F ZINC001116633270 933675969 /nfs/dbraw/zinc/67/59/69/933675969.db2.gz WBKZKBNHQFBJDW-CYBMUJFWSA-N 1 1 384.411 3.998 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)nn21 ZINC001117674738 933979188 /nfs/dbraw/zinc/97/91/88/933979188.db2.gz QHKJYSFDQBGHGV-AYHJJNSGSA-N 1 1 392.463 3.635 20 5 GHBDMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC001117726825 933997767 /nfs/dbraw/zinc/99/77/67/933997767.db2.gz KYDHEEOOEHVFQN-AYHJJNSGSA-N 1 1 385.489 3.972 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000931748729 934706512 /nfs/dbraw/zinc/70/65/12/934706512.db2.gz CSHOVUSGPOWIHX-GFCCVEGCSA-N 1 1 377.242 3.527 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000931748729 934706517 /nfs/dbraw/zinc/70/65/17/934706517.db2.gz CSHOVUSGPOWIHX-GFCCVEGCSA-N 1 1 377.242 3.527 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000828145368 935585353 /nfs/dbraw/zinc/58/53/53/935585353.db2.gz DCEGVJQDYNTTLP-UONOGXRCSA-N 1 1 379.888 3.939 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2nsnc21)[C@H]1CC[C@H](O)CC1 ZINC000828807870 935716898 /nfs/dbraw/zinc/71/68/98/935716898.db2.gz SHUFSGAORCWBBW-QAQDUYKDSA-N 1 1 398.488 3.905 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000470173542 1016742359 /nfs/dbraw/zinc/74/23/59/1016742359.db2.gz CKIRYAQGKABMMR-NBVRZTHBSA-N 1 1 381.476 3.967 20 5 GHBDMO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470820793 1016899481 /nfs/dbraw/zinc/89/94/81/1016899481.db2.gz DRAXBTATGUCENO-OAQYLSRUSA-N 1 1 395.503 3.995 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001221177213 1032318191 /nfs/dbraw/zinc/31/81/91/1032318191.db2.gz COXZNUJVCXOLDW-KRWDZBQOSA-N 1 1 396.491 3.746 20 5 GHBDMO CCOC(=O)c1ccc(O[C@@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001227301948 1032362812 /nfs/dbraw/zinc/36/28/12/1032362812.db2.gz SALYCPVJBPCOJE-NVXWUHKLSA-N 1 1 399.447 3.771 20 5 GHBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000559326108 1017427010 /nfs/dbraw/zinc/42/70/10/1017427010.db2.gz BOHHMZYGRGUCFH-OAQYLSRUSA-N 1 1 395.503 3.613 20 5 GHBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000559326108 1017427013 /nfs/dbraw/zinc/42/70/13/1017427013.db2.gz BOHHMZYGRGUCFH-OAQYLSRUSA-N 1 1 395.503 3.613 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935732536 1019042227 /nfs/dbraw/zinc/04/22/27/1019042227.db2.gz FALJUZKDBDICFJ-MRXNPFEDSA-N 1 1 385.489 3.569 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000779212520 1020525354 /nfs/dbraw/zinc/52/53/54/1020525354.db2.gz VODCJZPPRVKBIE-HNNXBMFYSA-N 1 1 392.358 3.628 20 5 GHBDMO O=C(OC[C@H]1CCC[N@@H+]1Cc1ccco1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000779230407 1020549043 /nfs/dbraw/zinc/54/90/43/1020549043.db2.gz MNMPUVONKYAUSV-CYBMUJFWSA-N 1 1 396.346 3.611 20 5 GHBDMO O=C(OC[C@H]1CCC[N@H+]1Cc1ccco1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000779230407 1020549050 /nfs/dbraw/zinc/54/90/50/1020549050.db2.gz MNMPUVONKYAUSV-CYBMUJFWSA-N 1 1 396.346 3.611 20 5 GHBDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796105354 1021109389 /nfs/dbraw/zinc/10/93/89/1021109389.db2.gz AYVXPZMFDPUZAT-KRWDZBQOSA-N 1 1 384.354 3.701 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000754093857 1022476577 /nfs/dbraw/zinc/47/65/77/1022476577.db2.gz FZSRZEUOWMWAIH-NOCRFKNCSA-N 1 1 379.460 3.561 20 5 GHBDMO COC(=O)c1cc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc([N+](=O)[O-])c1 ZINC001228769926 1033087957 /nfs/dbraw/zinc/08/79/57/1033087957.db2.gz DYDWJYSCJJTUIP-KRWDZBQOSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1cc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc([N+](=O)[O-])c1 ZINC001228769926 1033087973 /nfs/dbraw/zinc/08/79/73/1033087973.db2.gz DYDWJYSCJJTUIP-KRWDZBQOSA-N 1 1 388.395 3.564 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000836349333 1022905932 /nfs/dbraw/zinc/90/59/32/1022905932.db2.gz QDZGMIRMKHHMGR-UHFFFAOYSA-N 1 1 387.867 3.735 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000754942478 1022976781 /nfs/dbraw/zinc/97/67/81/1022976781.db2.gz PVKWEMMQODVIAB-BMRADRMJSA-N 1 1 397.450 3.872 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000754942478 1022976788 /nfs/dbraw/zinc/97/67/88/1022976788.db2.gz PVKWEMMQODVIAB-BMRADRMJSA-N 1 1 397.450 3.872 20 5 GHBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000755031139 1023032584 /nfs/dbraw/zinc/03/25/84/1023032584.db2.gz TWKYGMXEESNPCJ-UHFFFAOYSA-N 1 1 399.289 3.695 20 5 GHBDMO C[C@H](C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000755745509 1023360081 /nfs/dbraw/zinc/36/00/81/1023360081.db2.gz DUVNVGARBSJWOT-ZFWWWQNUSA-N 1 1 376.384 3.638 20 5 GHBDMO C[NH+](C)[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 ZINC000756994520 1023902117 /nfs/dbraw/zinc/90/21/17/1023902117.db2.gz XTXRCSZJHXYYGM-INIZCTEOSA-N 1 1 382.247 3.821 20 5 GHBDMO C[C@@H](Oc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229006526 1033228417 /nfs/dbraw/zinc/22/84/17/1033228417.db2.gz ANWIFSIOBMLQTH-IERDGZPVSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@@H](Oc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229006526 1033228422 /nfs/dbraw/zinc/22/84/22/1033228422.db2.gz ANWIFSIOBMLQTH-IERDGZPVSA-N 1 1 393.443 3.811 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1F ZINC000831936283 1025037931 /nfs/dbraw/zinc/03/79/31/1025037931.db2.gz KGIVQCNCPAANSY-STQMWFEESA-N 1 1 381.423 3.564 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001229060041 1033256260 /nfs/dbraw/zinc/25/62/60/1033256260.db2.gz ZJEKRGUQXWFHSG-OZOXKJRCSA-N 1 1 396.443 3.671 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c1F ZINC000832022466 1025143617 /nfs/dbraw/zinc/14/36/17/1025143617.db2.gz BDRVKNNEFXFGQG-UHFFFAOYSA-N 1 1 396.419 3.657 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1F ZINC000832022466 1025143622 /nfs/dbraw/zinc/14/36/22/1025143622.db2.gz BDRVKNNEFXFGQG-UHFFFAOYSA-N 1 1 396.419 3.657 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001162267833 1025697256 /nfs/dbraw/zinc/69/72/56/1025697256.db2.gz WOLVFKXIYSUNIE-RDJZCZTQSA-N 1 1 383.448 3.937 20 5 GHBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@@H]2C1 ZINC001162568159 1025799569 /nfs/dbraw/zinc/79/95/69/1025799569.db2.gz LEXDCTDBHXYLSP-OXJNMPFZSA-N 1 1 397.500 3.912 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000832681154 1025831335 /nfs/dbraw/zinc/83/13/35/1025831335.db2.gz ZSCINVJCFJLWIN-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000832681154 1025831354 /nfs/dbraw/zinc/83/13/54/1025831354.db2.gz ZSCINVJCFJLWIN-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO CCOC(=O)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839463213 1025952667 /nfs/dbraw/zinc/95/26/67/1025952667.db2.gz VDJFFDJORVSQHA-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)n1 ZINC000839468289 1025957362 /nfs/dbraw/zinc/95/73/62/1025957362.db2.gz VPZXYOGTNIMMTR-CYBMUJFWSA-N 1 1 391.269 3.835 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)n1 ZINC000839468289 1025957367 /nfs/dbraw/zinc/95/73/67/1025957367.db2.gz VPZXYOGTNIMMTR-CYBMUJFWSA-N 1 1 391.269 3.835 20 5 GHBDMO O=C(CC[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000839514320 1025997304 /nfs/dbraw/zinc/99/73/04/1025997304.db2.gz GLEYFQOJJHDCFJ-TZIWHRDSSA-N 1 1 383.448 3.512 20 5 GHBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1Br ZINC000839562142 1026060248 /nfs/dbraw/zinc/06/02/48/1026060248.db2.gz ZMEPXVJJWYECKW-UHFFFAOYSA-N 1 1 391.265 3.841 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839642062 1026150451 /nfs/dbraw/zinc/15/04/51/1026150451.db2.gz OZTGRLSOXWWFKW-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839642062 1026150456 /nfs/dbraw/zinc/15/04/56/1026150456.db2.gz OZTGRLSOXWWFKW-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO CCOc1cnc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c([N+](=O)[O-])c1 ZINC001164484659 1026525135 /nfs/dbraw/zinc/52/51/35/1026525135.db2.gz GLMVWZBSLZBYPL-BHIYHBOVSA-N 1 1 382.464 3.711 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(N3CCC([N@H+]4CCc5ccccc5C4)CC3)cnc2c1 ZINC001165151613 1026636416 /nfs/dbraw/zinc/63/64/16/1026636416.db2.gz ZQNDVUDFGQZXLI-UHFFFAOYSA-N 1 1 389.459 3.565 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000841024408 1028050887 /nfs/dbraw/zinc/05/08/87/1028050887.db2.gz STQYTYHKNZBRAB-RYTRXMBJSA-N 1 1 391.471 3.841 20 5 GHBDMO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1F ZINC000842076444 1029058279 /nfs/dbraw/zinc/05/82/79/1029058279.db2.gz NHUWRUGINUREBV-HNNXBMFYSA-N 1 1 378.375 3.543 20 5 GHBDMO COC(=O)c1ccc(CO[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001223413331 1030564679 /nfs/dbraw/zinc/56/46/79/1030564679.db2.gz KWGNRRRRAVTFJF-LJQANCHMSA-N 1 1 384.432 3.563 20 5 GHBDMO C[NH+]1CCN(c2ncc(NC(=O)c3c4ccccc4cc4ccccc43)cn2)CC1 ZINC001153489590 1031614332 /nfs/dbraw/zinc/61/43/32/1031614332.db2.gz QIXAXNWEWHZORK-UHFFFAOYSA-N 1 1 397.482 3.787 20 5 GHBDMO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225848078 1031648613 /nfs/dbraw/zinc/64/86/13/1031648613.db2.gz VUQHZMQXZRDEDR-WCQYABFASA-N 1 1 382.342 3.618 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225848078 1031648617 /nfs/dbraw/zinc/64/86/17/1031648617.db2.gz VUQHZMQXZRDEDR-WCQYABFASA-N 1 1 382.342 3.618 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ncc([N+](=O)[O-])cc1Br ZINC001226344609 1031922507 /nfs/dbraw/zinc/92/25/07/1031922507.db2.gz RQMZPAVMEYKEDQ-LRDDRELGSA-N 1 1 392.253 3.652 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncc([N+](=O)[O-])cc1Br ZINC001226344609 1031922516 /nfs/dbraw/zinc/92/25/16/1031922516.db2.gz RQMZPAVMEYKEDQ-LRDDRELGSA-N 1 1 392.253 3.652 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226437043 1031959482 /nfs/dbraw/zinc/95/94/82/1031959482.db2.gz SCRJKWBFUUFIOM-MGPUTAFESA-N 1 1 378.432 3.827 20 5 GHBDMO Cc1ccc(N2CCC[C@@H](Oc3cc(Br)cnc3[N+](=O)[O-])C2)[nH+]c1 ZINC001229560700 1033557637 /nfs/dbraw/zinc/55/76/37/1033557637.db2.gz PTIAOOKKDCVDRK-CYBMUJFWSA-N 1 1 393.241 3.504 20 5 GHBDMO COc1c(O)ccc(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC001205790034 1033572475 /nfs/dbraw/zinc/57/24/75/1033572475.db2.gz YTKSGOSSBTUCFU-UHFFFAOYSA-N 1 1 382.338 3.927 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CNCc3noc4c3CCCC4)CC2)cc1 ZINC001206127547 1033731288 /nfs/dbraw/zinc/73/12/88/1033731288.db2.gz IKDBVKLHXSOXSK-UHFFFAOYSA-N 1 1 398.507 3.506 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001230251371 1033962307 /nfs/dbraw/zinc/96/23/07/1033962307.db2.gz RXXJBAHXGPSXGF-QGZVFWFLSA-N 1 1 389.839 3.860 20 5 GHBDMO CC[N@H+]1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C(C)(C)C1 ZINC001158569787 1034158520 /nfs/dbraw/zinc/15/85/20/1034158520.db2.gz YBZREYHZHNWFHU-UHFFFAOYSA-N 1 1 375.860 3.626 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231052846 1034366777 /nfs/dbraw/zinc/36/67/77/1034366777.db2.gz FTYKPIIEIYJLAW-HNAYVOBHSA-N 1 1 378.432 3.827 20 5 GHBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001231235774 1034476371 /nfs/dbraw/zinc/47/63/71/1034476371.db2.gz DYVNNMBVZNUCRS-WDAIWFPHSA-N 1 1 389.330 3.631 20 5 GHBDMO C[N@@H+](CC(=O)N1CCOCC1)Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001231816459 1034926330 /nfs/dbraw/zinc/92/63/30/1034926330.db2.gz CPSFLVPCPIBLKE-UHFFFAOYSA-N 1 1 388.467 3.981 20 5 GHBDMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232221827 1035170366 /nfs/dbraw/zinc/17/03/66/1035170366.db2.gz DMJVGBRKASXKIP-OFNKIYASSA-N 1 1 377.488 3.801 20 5 GHBDMO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC001462155349 1070040460 /nfs/dbraw/zinc/04/04/60/1070040460.db2.gz NAPYATABXSDHCY-UHFFFAOYSA-N 1 1 388.449 3.778 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(c3ccc(F)cc3)CCNCC1)CC2 ZINC001246337010 1037301478 /nfs/dbraw/zinc/30/14/78/1037301478.db2.gz PUEBOCOYSDEUQF-HXUWFJFHSA-N 1 1 383.467 3.850 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1Cc3ccccc3C13CCNCC3)CC2 ZINC001247011425 1037836490 /nfs/dbraw/zinc/83/64/90/1037836490.db2.gz RYWURDPOHVTIFD-HXUWFJFHSA-N 1 1 377.488 3.937 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1Cc3ccccc3C13CCNCC3)CC2 ZINC001247011425 1037836514 /nfs/dbraw/zinc/83/65/14/1037836514.db2.gz RYWURDPOHVTIFD-HXUWFJFHSA-N 1 1 377.488 3.937 20 5 GHBDMO COc1ccc(C[C@@H](C)[NH+]2CCC3(CC2)NCc2ccccc23)c([N+](=O)[O-])c1 ZINC001247016446 1037841038 /nfs/dbraw/zinc/84/10/38/1037841038.db2.gz VJPLFGDMFWAWEC-MRXNPFEDSA-N 1 1 381.476 3.629 20 5 GHBDMO CCN(CC)c1ccc(-c2noc([C@@H]([NH3+])Cc3ccccc3[N+](=O)[O-])n2)cc1 ZINC001247665258 1038301055 /nfs/dbraw/zinc/30/10/55/1038301055.db2.gz DLFSXCRJACYOSH-KRWDZBQOSA-N 1 1 381.436 3.734 20 5 GHBDMO [NH3+][C@@H](Cc1cccc2ccccc21)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247669802 1038304782 /nfs/dbraw/zinc/30/47/82/1038304782.db2.gz DOSURPWJANGSRU-HNNXBMFYSA-N 1 1 379.351 3.575 20 5 GHBDMO CC[N@@H+]1CC[C@@H](Oc2c(C(C)=O)ccc(OCc3ccccc3)c2[N+](=O)[O-])C1 ZINC001233830513 1039650919 /nfs/dbraw/zinc/65/09/19/1039650919.db2.gz RYHHTSVOICMBFU-QGZVFWFLSA-N 1 1 384.432 3.849 20 5 GHBDMO CC[N@H+]1CC[C@@H](Oc2c(C(C)=O)ccc(OCc3ccccc3)c2[N+](=O)[O-])C1 ZINC001233830513 1039650929 /nfs/dbraw/zinc/65/09/29/1039650929.db2.gz RYHHTSVOICMBFU-QGZVFWFLSA-N 1 1 384.432 3.849 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001233979753 1039739528 /nfs/dbraw/zinc/73/95/28/1039739528.db2.gz CANUKGBBEWDRRW-VGSWGCGISA-N 1 1 384.476 3.804 20 5 GHBDMO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001234409007 1040012441 /nfs/dbraw/zinc/01/24/41/1040012441.db2.gz TXNXLLUARSTUNZ-LJQANCHMSA-N 1 1 398.459 3.744 20 5 GHBDMO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001254236918 1040089211 /nfs/dbraw/zinc/08/92/11/1040089211.db2.gz DBIHTTOHFKVGEB-NEPJUHHUSA-N 1 1 379.844 3.901 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001254389728 1040205387 /nfs/dbraw/zinc/20/53/87/1040205387.db2.gz CGPGFZVGPAHYAB-FQEVSTJZSA-N 1 1 388.512 3.576 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001254550606 1040319467 /nfs/dbraw/zinc/31/94/67/1040319467.db2.gz NCDHNGRBEHPUKG-RDJZCZTQSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001254562106 1040334621 /nfs/dbraw/zinc/33/46/21/1040334621.db2.gz JOMGSMFDMRTEHZ-YPMHNXCESA-N 1 1 384.358 3.807 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001254568526 1040345330 /nfs/dbraw/zinc/34/53/30/1040345330.db2.gz ZZWWFYPMFKVUIG-CVEARBPZSA-N 1 1 377.485 3.715 20 5 GHBDMO C[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254592961 1040365240 /nfs/dbraw/zinc/36/52/40/1040365240.db2.gz IDGBVHQPXPZBSB-LJQANCHMSA-N 1 1 389.496 3.641 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@H](OCC3CC3)[C@@H]1Cc1cccnc1)C2 ZINC001254597659 1040369413 /nfs/dbraw/zinc/36/94/13/1040369413.db2.gz UZCAPJMAUAAGBV-VABKMULXSA-N 1 1 393.487 3.569 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H](c2ccccc2)C1 ZINC001254606099 1040377726 /nfs/dbraw/zinc/37/77/26/1040377726.db2.gz DUWGEJSAQVGHGS-DUXKGJEZSA-N 1 1 380.444 3.688 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612374 1040384416 /nfs/dbraw/zinc/38/44/16/1040384416.db2.gz VSUGXHPETBLRIQ-NQIIRXRSSA-N 1 1 389.496 3.689 20 5 GHBDMO O=[N+]([O-])c1c(F)cc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1F ZINC001255485601 1041082954 /nfs/dbraw/zinc/08/29/54/1041082954.db2.gz BBTIRBRBFIBDES-ZDUSSCGKSA-N 1 1 386.358 3.913 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCc4ccc(C)cc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256092948 1041522261 /nfs/dbraw/zinc/52/22/61/1041522261.db2.gz BYTJBLIGYZKAAT-UHFFFAOYSA-N 1 1 381.476 3.939 20 5 GHBDMO CCCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCC[C@H]1C ZINC001294181337 1044510713 /nfs/dbraw/zinc/51/07/13/1044510713.db2.gz HIEUENZXKLGZSJ-MRXNPFEDSA-N 1 1 386.500 3.574 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001295095671 1044913293 /nfs/dbraw/zinc/91/32/93/1044913293.db2.gz UWYDGTXWGNYACR-PBHICJAKSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001295095671 1044913299 /nfs/dbraw/zinc/91/32/99/1044913299.db2.gz UWYDGTXWGNYACR-PBHICJAKSA-N 1 1 377.803 3.563 20 5 GHBDMO CC[C@@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC001296188582 1045277229 /nfs/dbraw/zinc/27/72/29/1045277229.db2.gz LSLMSDRKNJYXFW-SJLPKXTDSA-N 1 1 399.466 3.960 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001299858294 1046069510 /nfs/dbraw/zinc/06/95/10/1046069510.db2.gz BQMADVJLXPUBDB-KRWDZBQOSA-N 1 1 382.464 3.530 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001301883139 1046744260 /nfs/dbraw/zinc/74/42/60/1046744260.db2.gz UJWNJUXLLNVNRX-WMLDXEAASA-N 1 1 387.867 3.889 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001302280464 1046899860 /nfs/dbraw/zinc/89/98/60/1046899860.db2.gz DQHSWDNCVBXLRN-RDJZCZTQSA-N 1 1 392.459 3.574 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001303368164 1047373806 /nfs/dbraw/zinc/37/38/06/1047373806.db2.gz NCPCCYCMWMHVKP-VGSWGCGISA-N 1 1 397.450 3.636 20 5 GHBDMO Cc1c(CC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001279363369 1047780743 /nfs/dbraw/zinc/78/07/43/1047780743.db2.gz BPKMPDDEVIBZHE-QFIPXVFZSA-N 1 1 395.503 3.815 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(C)C)c1 ZINC001280066891 1048068764 /nfs/dbraw/zinc/06/87/64/1048068764.db2.gz PAHMMGYLNMETCX-OAQYLSRUSA-N 1 1 381.476 3.886 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)c1 ZINC001280066891 1048068778 /nfs/dbraw/zinc/06/87/78/1048068778.db2.gz PAHMMGYLNMETCX-OAQYLSRUSA-N 1 1 381.476 3.886 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001306944409 1048972218 /nfs/dbraw/zinc/97/22/18/1048972218.db2.gz LHQRIDAIVAGOSG-UHFFFAOYSA-N 1 1 387.440 3.752 20 5 GHBDMO COc1cc(NC[C@H](C)[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])cc1OC ZINC001306951762 1048976048 /nfs/dbraw/zinc/97/60/48/1048976048.db2.gz RDLYFWNJGSSQHI-LBPRGKRZSA-N 1 1 377.466 3.532 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001307185714 1049124796 /nfs/dbraw/zinc/12/47/96/1049124796.db2.gz SADCMVREJVQLNN-AEFFLSMTSA-N 1 1 397.475 3.870 20 5 GHBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001307660116 1049485580 /nfs/dbraw/zinc/48/55/80/1049485580.db2.gz UWEPEYRTOVSYMB-NRFANRHFSA-N 1 1 383.492 3.960 20 5 GHBDMO CCN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307660116 1049485584 /nfs/dbraw/zinc/48/55/84/1049485584.db2.gz UWEPEYRTOVSYMB-NRFANRHFSA-N 1 1 383.492 3.960 20 5 GHBDMO CCN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307660116 1049485591 /nfs/dbraw/zinc/48/55/91/1049485591.db2.gz UWEPEYRTOVSYMB-NRFANRHFSA-N 1 1 383.492 3.960 20 5 GHBDMO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001307706419 1049522690 /nfs/dbraw/zinc/52/26/90/1049522690.db2.gz MAKNQSSVTILWEO-FQEVSTJZSA-N 1 1 381.480 3.717 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001307706419 1049522706 /nfs/dbraw/zinc/52/27/06/1049522706.db2.gz MAKNQSSVTILWEO-FQEVSTJZSA-N 1 1 381.480 3.717 20 5 GHBDMO C[C@@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Br)C(=O)OC(C)(C)C ZINC001307826743 1049619556 /nfs/dbraw/zinc/61/95/56/1049619556.db2.gz DDXVJAWOIPTMFR-NSHDSACASA-N 1 1 387.274 3.767 20 5 GHBDMO C[C@@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br)C(=O)OC(C)(C)C ZINC001307826743 1049619561 /nfs/dbraw/zinc/61/95/61/1049619561.db2.gz DDXVJAWOIPTMFR-NSHDSACASA-N 1 1 387.274 3.767 20 5 GHBDMO COC[C@H](C)[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001307976675 1049735200 /nfs/dbraw/zinc/73/52/00/1049735200.db2.gz VDGXREBZSAGJCT-BTYIYWSLSA-N 1 1 398.459 3.906 20 5 GHBDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001307989336 1049742736 /nfs/dbraw/zinc/74/27/36/1049742736.db2.gz FFHCXVHGVWOKLO-ROUUACIJSA-N 1 1 388.439 3.742 20 5 GHBDMO O=C(CC[N@H+]1CCCC[C@@H](C2CCOCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001308039453 1049791037 /nfs/dbraw/zinc/79/10/37/1049791037.db2.gz PXJQPTQCWRFAIM-MRXNPFEDSA-N 1 1 393.459 3.591 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001308083147 1049829567 /nfs/dbraw/zinc/82/95/67/1049829567.db2.gz CJDNQFVAJMDVMB-INIZCTEOSA-N 1 1 393.484 3.695 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001290467068 1049847965 /nfs/dbraw/zinc/84/79/65/1049847965.db2.gz QCSQQWVUPLJHOU-UHFFFAOYSA-N 1 1 393.487 3.875 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC001308823645 1050108711 /nfs/dbraw/zinc/10/87/11/1050108711.db2.gz GSNHAUNQLVSNFX-CVEARBPZSA-N 1 1 378.469 3.793 20 5 GHBDMO C[C@H](c1ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1)[NH+]1CCOCC1 ZINC001329884853 1050917243 /nfs/dbraw/zinc/91/72/43/1050917243.db2.gz YIPSLTRPPVQJML-OAHLLOKOSA-N 1 1 396.447 3.536 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001335093996 1052033471 /nfs/dbraw/zinc/03/34/71/1052033471.db2.gz WNYNBTOAYVZHSG-AGRHKRQWSA-N 1 1 386.427 3.540 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001335694075 1052151855 /nfs/dbraw/zinc/15/18/55/1052151855.db2.gz ADDCHBXNZBFHRW-BKTGTZMESA-N 1 1 386.427 3.540 20 5 GHBDMO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001313135552 1052966074 /nfs/dbraw/zinc/96/60/74/1052966074.db2.gz CSVKDLIIIWRLPT-FUHIMQAGSA-N 1 1 396.491 3.723 20 5 GHBDMO C[C@@H](CNC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001313352184 1053027796 /nfs/dbraw/zinc/02/77/96/1053027796.db2.gz NAADJLHXQNEVSX-JTSKRJEESA-N 1 1 396.491 3.662 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318186485 1054483101 /nfs/dbraw/zinc/48/31/01/1054483101.db2.gz BZHVRGQXKOHYTA-FQEVSTJZSA-N 1 1 381.432 3.551 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001318644797 1054768191 /nfs/dbraw/zinc/76/81/91/1054768191.db2.gz UTOZZTSEUWLHTD-NRFANRHFSA-N 1 1 381.476 3.617 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001319375351 1055211863 /nfs/dbraw/zinc/21/18/63/1055211863.db2.gz SMGOLSMFLCSQKY-JTSKRJEESA-N 1 1 395.459 3.943 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001319375351 1055211870 /nfs/dbraw/zinc/21/18/70/1055211870.db2.gz SMGOLSMFLCSQKY-JTSKRJEESA-N 1 1 395.459 3.943 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001320012741 1055596170 /nfs/dbraw/zinc/59/61/70/1055596170.db2.gz VQUVDGUQOCYZFT-HNNXBMFYSA-N 1 1 393.447 3.679 20 5 GHBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320643034 1055913034 /nfs/dbraw/zinc/91/30/34/1055913034.db2.gz LFEFYFMJLKZLHU-MIUNTBIASA-N 1 1 389.839 3.594 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@@H+]2CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000848474099 1057110836 /nfs/dbraw/zinc/11/08/36/1057110836.db2.gz XQVKYOYCXHCTFC-RTWAWAEBSA-N 1 1 395.459 3.714 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000848474099 1057110838 /nfs/dbraw/zinc/11/08/38/1057110838.db2.gz XQVKYOYCXHCTFC-RTWAWAEBSA-N 1 1 395.459 3.714 20 5 GHBDMO COc1ccc([C@H]2CCC[N@@H+]2CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000848474098 1057111008 /nfs/dbraw/zinc/11/10/08/1057111008.db2.gz XQVKYOYCXHCTFC-NHCUHLMSSA-N 1 1 395.459 3.714 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000848474098 1057111010 /nfs/dbraw/zinc/11/10/10/1057111010.db2.gz XQVKYOYCXHCTFC-NHCUHLMSSA-N 1 1 395.459 3.714 20 5 GHBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001443722952 1059181905 /nfs/dbraw/zinc/18/19/05/1059181905.db2.gz HLYNHFWZVDCGFH-IRXDYDNUSA-N 1 1 390.528 3.539 20 5 GHBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001448998216 1060312977 /nfs/dbraw/zinc/31/29/77/1060312977.db2.gz JVYNGZSAFGFMNR-NSHDSACASA-N 1 1 392.258 3.891 20 5 GHBDMO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001454438263 1061778014 /nfs/dbraw/zinc/77/80/14/1061778014.db2.gz HPQZEHWMPFFZKR-OAHLLOKOSA-N 1 1 391.830 3.526 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC001435388505 1062564454 /nfs/dbraw/zinc/56/44/54/1062564454.db2.gz RXQXHXQPZNVCOX-VQIMIIECSA-N 1 1 381.476 3.995 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001348454506 1063086477 /nfs/dbraw/zinc/08/64/77/1063086477.db2.gz QOJMHNCSSLWHBQ-WBVHZDCISA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001348454506 1063086496 /nfs/dbraw/zinc/08/64/96/1063086496.db2.gz QOJMHNCSSLWHBQ-WBVHZDCISA-N 1 1 377.803 3.563 20 5 GHBDMO CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457541529 1063233068 /nfs/dbraw/zinc/23/30/68/1063233068.db2.gz BVIBUCDOCRLKDU-FDFHNCONSA-N 1 1 393.487 3.821 20 5 GHBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC001458145718 1063600737 /nfs/dbraw/zinc/60/07/37/1063600737.db2.gz ULRCGQHKQQKTPX-GFCCVEGCSA-N 1 1 380.370 3.867 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc3cnccc3c2[N+](=O)[O-])cc1 ZINC001458500296 1063850334 /nfs/dbraw/zinc/85/03/34/1063850334.db2.gz XGPWVYDZCPQNIE-KRWDZBQOSA-N 1 1 378.432 3.838 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001437732363 1063924224 /nfs/dbraw/zinc/92/42/24/1063924224.db2.gz XMGZPTSRYUBFIO-OAQYLSRUSA-N 1 1 381.476 3.886 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC001459837220 1064237283 /nfs/dbraw/zinc/23/72/83/1064237283.db2.gz CMHRYJOZNZGWJW-KRWDZBQOSA-N 1 1 395.228 3.590 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC001459837220 1064237289 /nfs/dbraw/zinc/23/72/89/1064237289.db2.gz CMHRYJOZNZGWJW-KRWDZBQOSA-N 1 1 395.228 3.590 20 5 GHBDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001351109499 1064268696 /nfs/dbraw/zinc/26/86/96/1064268696.db2.gz OFCCULBCSFWAEC-TZIWHRDSSA-N 1 1 381.476 3.759 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001465077334 1065376993 /nfs/dbraw/zinc/37/69/93/1065376993.db2.gz ZHBMKVRICGJBST-CQSZACIVSA-N 1 1 381.904 3.808 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC[N@H+]1Cc1ccccc1 ZINC001466401440 1066133265 /nfs/dbraw/zinc/13/32/65/1066133265.db2.gz QOUXPRAXEIBNQW-GOSISDBHSA-N 1 1 396.491 3.763 20 5 GHBDMO C[C@H](Nc1ccc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000847826908 1066218633 /nfs/dbraw/zinc/21/86/33/1066218633.db2.gz ZZRPQUQFKPCERP-JKSUJKDBSA-N 1 1 398.463 3.662 20 5 GHBDMO CCOc1cc(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001466988125 1066430188 /nfs/dbraw/zinc/43/01/88/1066430188.db2.gz CSLVIHJKZHDMRU-OAHLLOKOSA-N 1 1 398.463 3.562 20 5 GHBDMO Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)cnn1-c1cc[nH+]cc1 ZINC001468234809 1067643359 /nfs/dbraw/zinc/64/33/59/1067643359.db2.gz HMZPOEXUUJVNMR-UHFFFAOYSA-N 1 1 380.408 3.557 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001468275946 1067664591 /nfs/dbraw/zinc/66/45/91/1067664591.db2.gz LOFKOEGZALYVBP-LMMKCTJWSA-N 1 1 396.491 3.833 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001477797067 1078570579 /nfs/dbraw/zinc/57/05/79/1078570579.db2.gz GHYPZBLVKCOGQV-KRWDZBQOSA-N 1 1 396.919 3.745 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001460166945 1068825749 /nfs/dbraw/zinc/82/57/49/1068825749.db2.gz QQRFORDRYHZOPF-QGZVFWFLSA-N 1 1 389.883 3.897 20 5 GHBDMO C[C@@]1(Cc2cccc(Br)c2)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001460802930 1069190173 /nfs/dbraw/zinc/19/01/73/1069190173.db2.gz IOJUKDUWTLHDHQ-KRWDZBQOSA-N 1 1 393.285 3.651 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001472504393 1073519118 /nfs/dbraw/zinc/51/91/18/1073519118.db2.gz DQPCJSDNDSLNIV-GOSISDBHSA-N 1 1 395.450 3.848 20 5 GHBDMO O=[N+]([O-])c1cc2c(nc1N1CCC[N@@H+](Cc3ccc(F)cc3)CC1)CCCC2 ZINC001472646582 1073593726 /nfs/dbraw/zinc/59/37/26/1073593726.db2.gz VYLJUGDGDVJBOM-UHFFFAOYSA-N 1 1 384.455 3.720 20 5 GHBDMO O=[N+]([O-])c1cccc2c1ccnc2Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001472665060 1073604147 /nfs/dbraw/zinc/60/41/47/1073604147.db2.gz DIRCPRJPGIRUQQ-UHFFFAOYSA-N 1 1 378.432 3.761 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001472734862 1073642434 /nfs/dbraw/zinc/64/24/34/1073642434.db2.gz JMBUOXIGSGNWRU-UHFFFAOYSA-N 1 1 386.496 3.718 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccncc1)c1cccc(Br)c1[N+](=O)[O-] ZINC001472821064 1073680858 /nfs/dbraw/zinc/68/08/58/1073680858.db2.gz CMVLTKHIPJWGNZ-UHFFFAOYSA-N 1 1 393.285 3.711 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473283375 1073905471 /nfs/dbraw/zinc/90/54/71/1073905471.db2.gz PRQQYIBHRKDICD-MSOLQXFVSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473283375 1073905472 /nfs/dbraw/zinc/90/54/72/1073905472.db2.gz PRQQYIBHRKDICD-MSOLQXFVSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473283375 1073905474 /nfs/dbraw/zinc/90/54/74/1073905474.db2.gz PRQQYIBHRKDICD-MSOLQXFVSA-N 1 1 396.491 3.518 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)cc1 ZINC001473372259 1073937706 /nfs/dbraw/zinc/93/77/06/1073937706.db2.gz RVCAKNNNJSSZOW-SFHVURJKSA-N 1 1 398.381 3.789 20 5 GHBDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473507327 1073994213 /nfs/dbraw/zinc/99/42/13/1073994213.db2.gz XGICMXMHKULCOE-GUXCAODWSA-N 1 1 379.460 3.750 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001473864681 1074180796 /nfs/dbraw/zinc/18/07/96/1074180796.db2.gz BSBWNPSXSRFWLZ-KUHUBIRLSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001473864681 1074180799 /nfs/dbraw/zinc/18/07/99/1074180799.db2.gz BSBWNPSXSRFWLZ-KUHUBIRLSA-N 1 1 379.432 3.613 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC001474055654 1074249781 /nfs/dbraw/zinc/24/97/81/1074249781.db2.gz JQQROEHRBHGCCM-GOSISDBHSA-N 1 1 396.491 3.521 20 5 GHBDMO CCc1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)[nH+]c1 ZINC001474246366 1074308118 /nfs/dbraw/zinc/30/81/18/1074308118.db2.gz RVDWQSQGWIFHML-UHFFFAOYSA-N 1 1 383.189 3.769 20 5 GHBDMO CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825419136 608549252 /nfs/dbraw/zinc/54/92/52/608549252.db2.gz IDEVHXYQPOTAJW-PMGBHYCQSA-N 1 1 378.436 3.871 20 5 GHBDMO c1csc(C[NH+]2C[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@H]3C2)n1 ZINC001164790114 721400030 /nfs/dbraw/zinc/40/00/30/721400030.db2.gz WTPHJGKBROFNEW-QZTJIDSGSA-N 1 1 387.512 3.808 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019878 721815039 /nfs/dbraw/zinc/81/50/39/721815039.db2.gz CANGCYWCSVZWAG-IHPCNDPISA-N 1 1 395.507 3.739 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000177997220 837533910 /nfs/dbraw/zinc/53/39/10/837533910.db2.gz HWJLUYLDBPMQLF-FPOVZHCZSA-N 1 1 397.475 3.562 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176931582 837604193 /nfs/dbraw/zinc/60/41/93/837604193.db2.gz JLKUHALQEPFIBX-DOTOQJQBSA-N 1 1 398.463 3.778 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000536033051 834424924 /nfs/dbraw/zinc/42/49/24/834424924.db2.gz XGOFPIVVXSIJON-MRXNPFEDSA-N 1 1 379.338 3.530 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000536033051 834424929 /nfs/dbraw/zinc/42/49/29/834424929.db2.gz XGOFPIVVXSIJON-MRXNPFEDSA-N 1 1 379.338 3.530 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246845611 834444717 /nfs/dbraw/zinc/44/47/17/834444717.db2.gz BDOCQIIBXKXLPB-UYAOXDASSA-N 1 1 379.460 3.722 20 5 GHBDMO COc1ccc(-c2ccc(CN3CCC[C@H]4C[N@H+](C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532989 834586889 /nfs/dbraw/zinc/58/68/89/834586889.db2.gz ZOEYVWBRSZKRPP-KXBFYZLASA-N 1 1 385.464 3.780 20 5 GHBDMO COc1ccc(-c2ccc(CN3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532989 834586898 /nfs/dbraw/zinc/58/68/98/834586898.db2.gz ZOEYVWBRSZKRPP-KXBFYZLASA-N 1 1 385.464 3.780 20 5 GHBDMO CCOc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579768957 834612623 /nfs/dbraw/zinc/61/26/23/834612623.db2.gz YWXSQMCSYUXRSF-LEWJYISDSA-N 1 1 395.503 3.947 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000175291548 834697217 /nfs/dbraw/zinc/69/72/17/834697217.db2.gz SCXOGPNJBUWNCZ-IBGZPJMESA-N 1 1 381.476 3.508 20 5 GHBDMO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)cc1OC(F)F ZINC000430193666 834955907 /nfs/dbraw/zinc/95/59/07/834955907.db2.gz FXNMAGYSGFIVJP-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)cc1OC(F)F ZINC000430193666 834955915 /nfs/dbraw/zinc/95/59/15/834955915.db2.gz FXNMAGYSGFIVJP-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000430202316 835040270 /nfs/dbraw/zinc/04/02/70/835040270.db2.gz CBZIZXLLYGBRRU-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000430202316 835040279 /nfs/dbraw/zinc/04/02/79/835040279.db2.gz CBZIZXLLYGBRRU-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000512950336 844020932 /nfs/dbraw/zinc/02/09/32/844020932.db2.gz ZMZDKTJCIAYKSI-GOSISDBHSA-N 1 1 375.856 3.552 20 5 GHBDMO CCOCCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000610212560 835145974 /nfs/dbraw/zinc/14/59/74/835145974.db2.gz GTGMWOFGSNBOHT-UHFFFAOYSA-N 1 1 389.521 3.868 20 5 GHBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000126934485 835263125 /nfs/dbraw/zinc/26/31/25/835263125.db2.gz XFPQDDMUPUNOKF-IFXJQAMLSA-N 1 1 387.411 3.525 20 5 GHBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000126934485 835263127 /nfs/dbraw/zinc/26/31/27/835263127.db2.gz XFPQDDMUPUNOKF-IFXJQAMLSA-N 1 1 387.411 3.525 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000246892974 835277827 /nfs/dbraw/zinc/27/78/27/835277827.db2.gz VHJRTGFSMNHKHM-NVXWUHKLSA-N 1 1 398.463 3.507 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000246892974 835277836 /nfs/dbraw/zinc/27/78/36/835277836.db2.gz VHJRTGFSMNHKHM-NVXWUHKLSA-N 1 1 398.463 3.507 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000430236926 835319628 /nfs/dbraw/zinc/31/96/28/835319628.db2.gz CQLUFDLPZXCWDR-MRXNPFEDSA-N 1 1 392.459 3.862 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000430236926 835319636 /nfs/dbraw/zinc/31/96/36/835319636.db2.gz CQLUFDLPZXCWDR-MRXNPFEDSA-N 1 1 392.459 3.862 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000278544998 835358380 /nfs/dbraw/zinc/35/83/80/835358380.db2.gz UKKLZRVCJQLDGW-UHFFFAOYSA-N 1 1 375.812 3.635 20 5 GHBDMO Cc1[nH+]ccn1CCCN(C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278579021 835455208 /nfs/dbraw/zinc/45/52/08/835455208.db2.gz YAWCFMLXSUJTLL-UHFFFAOYSA-N 1 1 393.316 3.675 20 5 GHBDMO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177030718 835505728 /nfs/dbraw/zinc/50/57/28/835505728.db2.gz IXKIKIXCBUZMLI-OAHLLOKOSA-N 1 1 388.468 3.645 20 5 GHBDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177030718 835505733 /nfs/dbraw/zinc/50/57/33/835505733.db2.gz IXKIKIXCBUZMLI-OAHLLOKOSA-N 1 1 388.468 3.645 20 5 GHBDMO CC[C@@H](O)C[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC000134480648 835749731 /nfs/dbraw/zinc/74/97/31/835749731.db2.gz AWUSVAGQRYQSSK-GOSISDBHSA-N 1 1 385.464 3.505 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000573159713 835805386 /nfs/dbraw/zinc/80/53/86/835805386.db2.gz FZRJCXWFQKSLAZ-HNNXBMFYSA-N 1 1 397.401 3.825 20 5 GHBDMO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000549686550 844115225 /nfs/dbraw/zinc/11/52/25/844115225.db2.gz HQZSAMDCQVCTAL-QRWLVFNGSA-N 1 1 385.439 3.570 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000535629077 836059962 /nfs/dbraw/zinc/05/99/62/836059962.db2.gz RRRYTBMMXWXNHR-OAHLLOKOSA-N 1 1 385.464 3.661 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000411136048 836065192 /nfs/dbraw/zinc/06/51/92/836065192.db2.gz RZMAWEVGIUCDGN-GFCCVEGCSA-N 1 1 393.390 3.903 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000411173147 836077282 /nfs/dbraw/zinc/07/72/82/836077282.db2.gz OSPHRHLRACLTEV-LBPRGKRZSA-N 1 1 393.390 3.903 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000120697585 836097215 /nfs/dbraw/zinc/09/72/15/836097215.db2.gz PSZUYUGJNJVJCT-MMOPVJDHSA-N 1 1 397.475 3.676 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000120697585 836097225 /nfs/dbraw/zinc/09/72/25/836097225.db2.gz PSZUYUGJNJVJCT-MMOPVJDHSA-N 1 1 397.475 3.676 20 5 GHBDMO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000431821215 836248729 /nfs/dbraw/zinc/24/87/29/836248729.db2.gz DUXBLIOVUILCNU-NVXWUHKLSA-N 1 1 398.463 3.632 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000173693534 836251478 /nfs/dbraw/zinc/25/14/78/836251478.db2.gz LAYLCXKEYVNKHE-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000173693534 836251488 /nfs/dbraw/zinc/25/14/88/836251488.db2.gz LAYLCXKEYVNKHE-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO C[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000582460802 836298167 /nfs/dbraw/zinc/29/81/67/836298167.db2.gz HQQQHTXTPGJFEB-DYESRHJHSA-N 1 1 381.476 3.821 20 5 GHBDMO CN(Cc1ccccc1)C(=O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180171482 836464666 /nfs/dbraw/zinc/46/46/66/836464666.db2.gz IACZMKZUEOTZJD-HSZRJFAPSA-N 1 1 389.455 3.932 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000510167800 836487849 /nfs/dbraw/zinc/48/78/49/836487849.db2.gz OIUFDLCIGSDBLM-WBVHZDCISA-N 1 1 385.439 3.764 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411998666 836488322 /nfs/dbraw/zinc/48/83/22/836488322.db2.gz LHXFGAYNYUSMKR-OXQOHEQNSA-N 1 1 395.459 3.776 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411998666 836488325 /nfs/dbraw/zinc/48/83/25/836488325.db2.gz LHXFGAYNYUSMKR-OXQOHEQNSA-N 1 1 395.459 3.776 20 5 GHBDMO CC[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000612664573 836563906 /nfs/dbraw/zinc/56/39/06/836563906.db2.gz YIDODYVGNCBIHE-QGZVFWFLSA-N 1 1 377.448 3.639 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)c1C ZINC000893838810 844187908 /nfs/dbraw/zinc/18/79/08/844187908.db2.gz HNRYRAUABOXZOU-IBGZPJMESA-N 1 1 394.475 3.748 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414265698 836822829 /nfs/dbraw/zinc/82/28/29/836822829.db2.gz RJXIDGCNEGTYLB-SFHVURJKSA-N 1 1 394.493 3.643 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496768 844205577 /nfs/dbraw/zinc/20/55/77/844205577.db2.gz ILOVTTPFHJNMJE-HSZRJFAPSA-N 1 1 393.487 3.652 20 5 GHBDMO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000120538058 844226043 /nfs/dbraw/zinc/22/60/43/844226043.db2.gz XETAMLNFFVHFJC-UHFFFAOYSA-N 1 1 388.855 3.988 20 5 GHBDMO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000120538058 844226050 /nfs/dbraw/zinc/22/60/50/844226050.db2.gz XETAMLNFFVHFJC-UHFFFAOYSA-N 1 1 388.855 3.988 20 5 GHBDMO Cc1cc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000066676205 837197787 /nfs/dbraw/zinc/19/77/87/837197787.db2.gz RAVNXAHYIIPADY-UHFFFAOYSA-N 1 1 381.476 3.887 20 5 GHBDMO Cc1ccc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cn1 ZINC000543990859 837243668 /nfs/dbraw/zinc/24/36/68/837243668.db2.gz XTRLRSXMIZMZPB-INIZCTEOSA-N 1 1 382.464 3.813 20 5 GHBDMO CCOC(=O)c1cc(NCCc2[nH+]ccn2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000177049168 837854587 /nfs/dbraw/zinc/85/45/87/837854587.db2.gz VUONFGALFSFYSI-UHFFFAOYSA-N 1 1 394.431 3.671 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000101561529 837954672 /nfs/dbraw/zinc/95/46/72/837954672.db2.gz NUHHYFCOHMIIFP-CQSZACIVSA-N 1 1 386.427 3.637 20 5 GHBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275634436 838120677 /nfs/dbraw/zinc/12/06/77/838120677.db2.gz JTKQSCOBLBFLQH-MRXNPFEDSA-N 1 1 377.488 3.801 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000535675021 844296274 /nfs/dbraw/zinc/29/62/74/844296274.db2.gz ITTXRFTWBPTADW-CQSZACIVSA-N 1 1 398.488 3.780 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000610296859 838201816 /nfs/dbraw/zinc/20/18/16/838201816.db2.gz MVURXYGZFPFIFQ-LJQANCHMSA-N 1 1 394.475 3.516 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610296995 838201887 /nfs/dbraw/zinc/20/18/87/838201887.db2.gz SSRTYGYRKWIYNZ-FQEVSTJZSA-N 1 1 381.476 3.605 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000610296912 838201948 /nfs/dbraw/zinc/20/19/48/838201948.db2.gz PEGCGKKVHPJNLJ-MRXNPFEDSA-N 1 1 385.489 3.663 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000610297640 838227309 /nfs/dbraw/zinc/22/73/09/838227309.db2.gz OJVXTMPBKNYEJV-QFBILLFUSA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@H](CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+](C)Cc1ccccc1 ZINC000471465194 838301565 /nfs/dbraw/zinc/30/15/65/838301565.db2.gz OZCPYAOCHZBHGA-QGZVFWFLSA-N 1 1 394.475 3.576 20 5 GHBDMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000118866269 838735022 /nfs/dbraw/zinc/73/50/22/838735022.db2.gz PGKOPDIBNQTOLO-KRWDZBQOSA-N 1 1 382.464 3.804 20 5 GHBDMO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000610372538 838760480 /nfs/dbraw/zinc/76/04/80/838760480.db2.gz ZTNKAPCXJSIIFO-HXUWFJFHSA-N 1 1 383.492 3.818 20 5 GHBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000610372538 838760486 /nfs/dbraw/zinc/76/04/86/838760486.db2.gz ZTNKAPCXJSIIFO-HXUWFJFHSA-N 1 1 383.492 3.818 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378298559 838807301 /nfs/dbraw/zinc/80/73/01/838807301.db2.gz GTGXZIKRVWGVQA-UHFFFAOYSA-N 1 1 379.460 3.723 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414827835 838875084 /nfs/dbraw/zinc/87/50/84/838875084.db2.gz KSVUTCWMENMNFA-QGZVFWFLSA-N 1 1 391.475 3.537 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)C1 ZINC000275822383 839245271 /nfs/dbraw/zinc/24/52/71/839245271.db2.gz SMYDUQCGXWFYPG-QVKFZJNVSA-N 1 1 377.488 3.896 20 5 GHBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247279160 839701149 /nfs/dbraw/zinc/70/11/49/839701149.db2.gz XDZRQWHLCYFAHI-LPHOPBHVSA-N 1 1 397.475 3.776 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000610445850 839742647 /nfs/dbraw/zinc/74/26/47/839742647.db2.gz ISMBAYJOYPHXKT-KRWDZBQOSA-N 1 1 399.516 3.810 20 5 GHBDMO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419380509 844469168 /nfs/dbraw/zinc/46/91/68/844469168.db2.gz BKXXOTAAEKRZLU-LJQANCHMSA-N 1 1 394.431 3.997 20 5 GHBDMO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419380509 844469173 /nfs/dbraw/zinc/46/91/73/844469173.db2.gz BKXXOTAAEKRZLU-LJQANCHMSA-N 1 1 394.431 3.997 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275943820 840107738 /nfs/dbraw/zinc/10/77/38/840107738.db2.gz JQXSEKZCSRUMQI-OAHLLOKOSA-N 1 1 399.441 3.974 20 5 GHBDMO Cc1ccccc1OCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015099264 840192446 /nfs/dbraw/zinc/19/24/46/840192446.db2.gz GSNYXNFXXABVOE-CQSZACIVSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1ccccc1OCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015099264 840192452 /nfs/dbraw/zinc/19/24/52/840192452.db2.gz GSNYXNFXXABVOE-CQSZACIVSA-N 1 1 391.855 3.894 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000566422601 840473852 /nfs/dbraw/zinc/47/38/52/840473852.db2.gz AZIWREYLYGBALO-OAHLLOKOSA-N 1 1 385.468 3.656 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000053232088 840569180 /nfs/dbraw/zinc/56/91/80/840569180.db2.gz MFDPDJWGJWHQTR-UHFFFAOYSA-N 1 1 387.411 3.736 20 5 GHBDMO Cc1cc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549465544 840603818 /nfs/dbraw/zinc/60/38/18/840603818.db2.gz MQFKXVWMZFZWJM-QGZVFWFLSA-N 1 1 388.434 3.606 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473504720 844559902 /nfs/dbraw/zinc/55/99/02/844559902.db2.gz CKQSTUASHLAGBP-UHFFFAOYSA-N 1 1 386.496 3.718 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000511763452 840676146 /nfs/dbraw/zinc/67/61/46/840676146.db2.gz SPQJBEWDNLOLRQ-AOIWGVFYSA-N 1 1 386.423 3.747 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCCC2 ZINC000417311659 840708016 /nfs/dbraw/zinc/70/80/16/840708016.db2.gz POVZFTSURBCCIX-VSKRKVRLSA-N 1 1 387.524 3.720 20 5 GHBDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000511802159 840808440 /nfs/dbraw/zinc/80/84/40/840808440.db2.gz MEGXVZRBGYBKEY-UHFFFAOYSA-N 1 1 385.464 3.765 20 5 GHBDMO Cc1sc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000106405485 840940244 /nfs/dbraw/zinc/94/02/44/840940244.db2.gz YLNKLCFNGQWRTK-LBPRGKRZSA-N 1 1 375.450 3.610 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126419676 841052999 /nfs/dbraw/zinc/05/29/99/841052999.db2.gz JNDDUKZXWBPEJU-TXPKVOOTSA-N 1 1 382.464 3.618 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000077221388 841080312 /nfs/dbraw/zinc/08/03/12/841080312.db2.gz UHCHIBBNGIKBAU-UHFFFAOYSA-N 1 1 378.473 3.579 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542866747 844605646 /nfs/dbraw/zinc/60/56/46/844605646.db2.gz HHCNQNYEGXERKJ-OCCSQVGLSA-N 1 1 397.422 3.579 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000123101386 841423636 /nfs/dbraw/zinc/42/36/36/841423636.db2.gz UDRNIPHDXUNQHR-MRXNPFEDSA-N 1 1 398.463 3.732 20 5 GHBDMO CCOc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1[N+](=O)[O-] ZINC000119362802 841479160 /nfs/dbraw/zinc/47/91/60/841479160.db2.gz GZXOXRABSNKIQH-AWEZNQCLSA-N 1 1 394.431 3.979 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000500204859 841651630 /nfs/dbraw/zinc/65/16/30/841651630.db2.gz ARODDYVUSMCQHQ-QFIPXVFZSA-N 1 1 397.475 3.986 20 5 GHBDMO C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487352648 841668003 /nfs/dbraw/zinc/66/80/03/841668003.db2.gz JCKZPJPIJSUBMP-HOCLYGCPSA-N 1 1 387.867 3.889 20 5 GHBDMO CO[C@@H](C)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000566646287 841888197 /nfs/dbraw/zinc/88/81/97/841888197.db2.gz HCLWFFYWLIBKQV-INIZCTEOSA-N 1 1 380.448 3.914 20 5 GHBDMO COc1ccccc1C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000051799802 841986796 /nfs/dbraw/zinc/98/67/96/841986796.db2.gz DATUPRYVOXUIEA-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1ccccc1C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000051799802 841986803 /nfs/dbraw/zinc/98/68/03/841986803.db2.gz DATUPRYVOXUIEA-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cccc(NC2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000111305114 842045094 /nfs/dbraw/zinc/04/50/94/842045094.db2.gz BTOGJISSOJATPE-UHFFFAOYSA-N 1 1 399.447 3.546 20 5 GHBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000047937961 842063198 /nfs/dbraw/zinc/06/31/98/842063198.db2.gz FDFNGRXEYOPSRX-OAHLLOKOSA-N 1 1 393.447 3.909 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)CC2CCOCC2)cc1OC ZINC000541986313 842065372 /nfs/dbraw/zinc/06/53/72/842065372.db2.gz FUQONJDLGUESKZ-OAHLLOKOSA-N 1 1 380.485 3.887 20 5 GHBDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)sc2C1 ZINC000131234317 861275665 /nfs/dbraw/zinc/27/56/65/861275665.db2.gz OAJCEXQCSHRJSZ-UHFFFAOYSA-N 1 1 388.493 3.979 20 5 GHBDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)sc2C1 ZINC000131234317 861275684 /nfs/dbraw/zinc/27/56/84/861275684.db2.gz OAJCEXQCSHRJSZ-UHFFFAOYSA-N 1 1 388.493 3.979 20 5 GHBDMO CC[C@H](Nc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471692934 842172968 /nfs/dbraw/zinc/17/29/68/842172968.db2.gz LNXOMAHPWWSPCZ-RXVVDRJESA-N 1 1 385.464 3.695 20 5 GHBDMO CC[C@H](Nc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471692934 842172975 /nfs/dbraw/zinc/17/29/75/842172975.db2.gz LNXOMAHPWWSPCZ-RXVVDRJESA-N 1 1 385.464 3.695 20 5 GHBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000054056550 842254065 /nfs/dbraw/zinc/25/40/65/842254065.db2.gz OECTURWSYDJGLR-GOSISDBHSA-N 1 1 391.830 3.954 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000187611733 842678336 /nfs/dbraw/zinc/67/83/36/842678336.db2.gz NEFQHOBIMBNWKG-LJQANCHMSA-N 1 1 387.867 3.889 20 5 GHBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000182091096 842726803 /nfs/dbraw/zinc/72/68/03/842726803.db2.gz SMHQEGGOVOQCQJ-HNNXBMFYSA-N 1 1 397.504 3.907 20 5 GHBDMO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc2ncccc21 ZINC000302774182 861358288 /nfs/dbraw/zinc/35/82/88/861358288.db2.gz DMTADXBXYVYGPA-SFHVURJKSA-N 1 1 392.459 3.846 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000610581043 843083685 /nfs/dbraw/zinc/08/36/85/843083685.db2.gz AYGUOFZPFUKXGG-UHFFFAOYSA-N 1 1 380.448 3.752 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)nc2c1 ZINC000512254417 843237917 /nfs/dbraw/zinc/23/79/17/843237917.db2.gz WDFHUQLUKGDYHN-QFIPXVFZSA-N 1 1 392.459 3.834 20 5 GHBDMO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000599600558 861398112 /nfs/dbraw/zinc/39/81/12/861398112.db2.gz MRHKCVLYTSFCDL-NSHDSACASA-N 1 1 393.827 3.555 20 5 GHBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000131504403 861431861 /nfs/dbraw/zinc/43/18/61/861431861.db2.gz OOMYUNZOINYNAY-ZDUSSCGKSA-N 1 1 383.370 3.858 20 5 GHBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000512403033 843665101 /nfs/dbraw/zinc/66/51/01/843665101.db2.gz JFIVMLYZSIZLIY-AJNOYIKESA-N 1 1 384.411 3.643 20 5 GHBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000512403033 843665103 /nfs/dbraw/zinc/66/51/03/843665103.db2.gz JFIVMLYZSIZLIY-AJNOYIKESA-N 1 1 384.411 3.643 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429894289 843847827 /nfs/dbraw/zinc/84/78/27/843847827.db2.gz CGISYONWADVJPH-FUHWJXTLSA-N 1 1 381.476 3.824 20 5 GHBDMO CC[NH+](CC)Cc1cccc(CN[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000120495926 843857324 /nfs/dbraw/zinc/85/73/24/843857324.db2.gz MJJZORZCUJNVKG-INIZCTEOSA-N 1 1 384.480 3.553 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)NCc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000509760615 843945516 /nfs/dbraw/zinc/94/55/16/843945516.db2.gz GOGAOAYBVGQEBF-PKOBYXMFSA-N 1 1 396.491 3.695 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512480138 843964013 /nfs/dbraw/zinc/96/40/13/843964013.db2.gz LJNONTFAQMWYIS-WMZHIEFXSA-N 1 1 394.519 3.548 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000429916935 843964758 /nfs/dbraw/zinc/96/47/58/843964758.db2.gz CBCMUZGSMSSVSO-GOSISDBHSA-N 1 1 389.883 3.945 20 5 GHBDMO Cc1c(CC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000610971873 844938160 /nfs/dbraw/zinc/93/81/60/844938160.db2.gz USIFWJGUSPAKEY-QGZVFWFLSA-N 1 1 381.476 3.569 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000512709833 845112014 /nfs/dbraw/zinc/11/20/14/845112014.db2.gz HHRNEFMQOGDPSM-GOSISDBHSA-N 1 1 384.432 3.677 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000604012628 861573429 /nfs/dbraw/zinc/57/34/29/861573429.db2.gz XPLCIXLJGMOCGH-UHFFFAOYSA-N 1 1 387.455 3.711 20 5 GHBDMO COc1cccc(CCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000513656152 846199094 /nfs/dbraw/zinc/19/90/94/846199094.db2.gz QFIVQMVRWJSZOY-HXUWFJFHSA-N 1 1 380.448 3.649 20 5 GHBDMO COc1ccc(C(C)(C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000513678370 846225479 /nfs/dbraw/zinc/22/54/79/846225479.db2.gz MDYCVISDRQMWNO-FQEVSTJZSA-N 1 1 394.475 3.994 20 5 GHBDMO COC(=O)c1nc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)sc1C ZINC000280344311 846368786 /nfs/dbraw/zinc/36/87/86/846368786.db2.gz HVRRMDACWBJQHJ-OAHLLOKOSA-N 1 1 375.450 3.526 20 5 GHBDMO COC(=O)c1nc([C@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)sc1C ZINC000280344311 846368791 /nfs/dbraw/zinc/36/87/91/846368791.db2.gz HVRRMDACWBJQHJ-OAHLLOKOSA-N 1 1 375.450 3.526 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000582138744 846464901 /nfs/dbraw/zinc/46/49/01/846464901.db2.gz ZWIJHPSTAUGWMQ-GOSISDBHSA-N 1 1 399.516 3.706 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000582138744 846464904 /nfs/dbraw/zinc/46/49/04/846464904.db2.gz ZWIJHPSTAUGWMQ-GOSISDBHSA-N 1 1 399.516 3.706 20 5 GHBDMO CCN(CCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513755962 846491425 /nfs/dbraw/zinc/49/14/25/846491425.db2.gz VJWOUEDOJUYJEI-OAQYLSRUSA-N 1 1 393.491 3.924 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501149384 846697157 /nfs/dbraw/zinc/69/71/57/846697157.db2.gz DPIZABRBMYMKLP-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO C[N@@H+](CCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000548717033 846745299 /nfs/dbraw/zinc/74/52/99/846745299.db2.gz DOSFOYAUPNASRJ-LJQANCHMSA-N 1 1 377.510 3.823 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000582292658 846805295 /nfs/dbraw/zinc/80/52/95/846805295.db2.gz GLCPZNQFZSHSOX-CQSZACIVSA-N 1 1 383.477 3.700 20 5 GHBDMO C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501603714 847040713 /nfs/dbraw/zinc/04/07/13/847040713.db2.gz HDHUQBUYRRNROJ-CVEARBPZSA-N 1 1 392.459 3.811 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000501769859 847165273 /nfs/dbraw/zinc/16/52/73/847165273.db2.gz KZTBVCNWMDFHOA-UHFFFAOYSA-N 1 1 383.920 3.819 20 5 GHBDMO O=C1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1Cc1ccccc1C(F)(F)F ZINC000183811703 847177754 /nfs/dbraw/zinc/17/77/54/847177754.db2.gz DWEQBTGADHRLHM-CYBMUJFWSA-N 1 1 399.394 3.566 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000158369784 847343775 /nfs/dbraw/zinc/34/37/75/847343775.db2.gz GZSXMHDAZWXQAI-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183397756 847405864 /nfs/dbraw/zinc/40/58/64/847405864.db2.gz ZNTIPTJQCSICCA-GOSISDBHSA-N 1 1 387.411 3.524 20 5 GHBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000479671392 847787818 /nfs/dbraw/zinc/78/78/18/847787818.db2.gz KMQWPHJEENDXEY-OXJNMPFZSA-N 1 1 396.491 3.613 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303678456 861833982 /nfs/dbraw/zinc/83/39/82/861833982.db2.gz YKDLFVGXZMMTJY-KZNAEPCWSA-N 1 1 388.512 3.508 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000503630758 847846616 /nfs/dbraw/zinc/84/66/16/847846616.db2.gz SETURLSDKHIYLV-PBHICJAKSA-N 1 1 377.510 3.653 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000502455284 847911226 /nfs/dbraw/zinc/91/12/26/847911226.db2.gz JQUQZPGUYSWVBH-NVXWUHKLSA-N 1 1 379.526 3.846 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611706582 848032053 /nfs/dbraw/zinc/03/20/53/848032053.db2.gz KNZITPYFGQDWAH-MRXNPFEDSA-N 1 1 377.448 3.639 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc([N+](=O)[O-])s3)C2)s1 ZINC000567768014 861862886 /nfs/dbraw/zinc/86/28/86/861862886.db2.gz WNIXLZSSNIOGLR-ZDUSSCGKSA-N 1 1 379.507 3.620 20 5 GHBDMO CC[NH+](CC)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000121884756 848238288 /nfs/dbraw/zinc/23/82/88/848238288.db2.gz RJJJWOUXQZGKNJ-HNNXBMFYSA-N 1 1 397.522 3.555 20 5 GHBDMO O=[N+]([O-])c1cnccc1NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000609431417 848938505 /nfs/dbraw/zinc/93/85/05/848938505.db2.gz VZOFSYCDPQITCZ-UHFFFAOYSA-N 1 1 381.263 3.795 20 5 GHBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000434898287 849879107 /nfs/dbraw/zinc/87/91/07/849879107.db2.gz UOYNHSAUSHBJMU-CRAIPNDOSA-N 1 1 381.432 3.771 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434907291 849889691 /nfs/dbraw/zinc/88/96/91/849889691.db2.gz WRYIJTVQRJQFTQ-VKJFTORMSA-N 1 1 383.448 3.808 20 5 GHBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000514577079 850017127 /nfs/dbraw/zinc/01/71/27/850017127.db2.gz AITNCUMWCHSDCH-HXUWFJFHSA-N 1 1 381.476 3.798 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000132464213 862084853 /nfs/dbraw/zinc/08/48/53/862084853.db2.gz CWEUFONKXPEAAI-NVXWUHKLSA-N 1 1 385.439 3.859 20 5 GHBDMO Cc1c(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435323076 850353434 /nfs/dbraw/zinc/35/34/34/850353434.db2.gz JLZQUKHYFDPFBW-LLVKDONJSA-N 1 1 399.289 3.662 20 5 GHBDMO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCc2sccc2C1 ZINC000519132662 850672317 /nfs/dbraw/zinc/67/23/17/850672317.db2.gz NYEOIHZNPRBTSJ-LBPRGKRZSA-N 1 1 385.445 3.579 20 5 GHBDMO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@H+]1CCc2sccc2C1 ZINC000519132662 850672320 /nfs/dbraw/zinc/67/23/20/850672320.db2.gz NYEOIHZNPRBTSJ-LBPRGKRZSA-N 1 1 385.445 3.579 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccs1 ZINC000435814556 850874045 /nfs/dbraw/zinc/87/40/45/850874045.db2.gz WWWBDSBGXBIREH-IBGZPJMESA-N 1 1 391.496 3.776 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2c1 ZINC000604472607 862215321 /nfs/dbraw/zinc/21/53/21/862215321.db2.gz GJGTXASKJAUNOE-GOSISDBHSA-N 1 1 376.460 3.889 20 5 GHBDMO COc1ccccc1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000604475003 862217804 /nfs/dbraw/zinc/21/78/04/862217804.db2.gz XLRQAUHWWOEJEL-HXUWFJFHSA-N 1 1 386.448 3.663 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000505787025 851444288 /nfs/dbraw/zinc/44/42/88/851444288.db2.gz JFMDYCRYPAZXOQ-LSDHHAIUSA-N 1 1 379.526 3.947 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000488529255 851585786 /nfs/dbraw/zinc/58/57/86/851585786.db2.gz NYGMSJBHTLTZJJ-IRXDYDNUSA-N 1 1 377.510 3.700 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000604509880 862266852 /nfs/dbraw/zinc/26/68/52/862266852.db2.gz OCFBIOPYZWQMKY-UHFFFAOYSA-N 1 1 376.372 3.765 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303828001 851699109 /nfs/dbraw/zinc/69/91/09/851699109.db2.gz LAOVVYGWIDRGLZ-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000184231662 851749015 /nfs/dbraw/zinc/74/90/15/851749015.db2.gz WZONJKAINYTDSY-CQSZACIVSA-N 1 1 387.411 3.593 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000184231662 851749021 /nfs/dbraw/zinc/74/90/21/851749021.db2.gz WZONJKAINYTDSY-CQSZACIVSA-N 1 1 387.411 3.593 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425553282 851917554 /nfs/dbraw/zinc/91/75/54/851917554.db2.gz MAIQMUVYKUZNMW-KBXCAEBGSA-N 1 1 398.463 3.987 20 5 GHBDMO Cc1cccc(N2CCC(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000489087299 851993271 /nfs/dbraw/zinc/99/32/71/851993271.db2.gz HHHMFUMXOFBJBP-UHFFFAOYSA-N 1 1 397.479 3.502 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000163186771 862318390 /nfs/dbraw/zinc/31/83/90/862318390.db2.gz UELKRLDLYOAYBM-HNNXBMFYSA-N 1 1 388.493 3.998 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOC[C@@H]3Cc3ccccc3)o2)c1 ZINC000426778602 852384750 /nfs/dbraw/zinc/38/47/50/852384750.db2.gz YXSSYUXUGYXVEE-FQEVSTJZSA-N 1 1 393.443 3.736 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000150804639 852409418 /nfs/dbraw/zinc/40/94/18/852409418.db2.gz NSVNUOINKIAATD-RDJZCZTQSA-N 1 1 377.485 3.763 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438507165 852507644 /nfs/dbraw/zinc/50/76/44/852507644.db2.gz VBPLTWBCDRPTDC-OAQYLSRUSA-N 1 1 383.448 3.596 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000489711110 852539749 /nfs/dbraw/zinc/53/97/49/852539749.db2.gz SGCJGCXLEQOKNH-CQSZACIVSA-N 1 1 382.386 3.769 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000506286967 852598677 /nfs/dbraw/zinc/59/86/77/852598677.db2.gz ZYNRSRZRIINFPV-BBWFWOEESA-N 1 1 393.553 3.950 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000489848125 852605430 /nfs/dbraw/zinc/60/54/30/852605430.db2.gz XQKWIYPXUGCHGA-ZDUSSCGKSA-N 1 1 398.385 3.606 20 5 GHBDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000489865563 852616923 /nfs/dbraw/zinc/61/69/23/852616923.db2.gz XFGJTPOBPLRIRL-VQIMIIECSA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489895152 852628956 /nfs/dbraw/zinc/62/89/56/852628956.db2.gz XMUYEUQCKNKKDD-QFBILLFUSA-N 1 1 382.464 3.538 20 5 GHBDMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000507168263 852638937 /nfs/dbraw/zinc/63/89/37/852638937.db2.gz BMPCYRQMZWOIHA-INIZCTEOSA-N 1 1 386.448 3.946 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507215481 852679768 /nfs/dbraw/zinc/67/97/68/852679768.db2.gz YDXIFNDCRFHDRH-INIZCTEOSA-N 1 1 383.448 3.730 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507215481 852679774 /nfs/dbraw/zinc/67/97/74/852679774.db2.gz YDXIFNDCRFHDRH-INIZCTEOSA-N 1 1 383.448 3.730 20 5 GHBDMO CNC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000490137413 852786829 /nfs/dbraw/zinc/78/68/29/852786829.db2.gz QVFHIAPCJAQSTJ-NRFANRHFSA-N 1 1 375.428 3.834 20 5 GHBDMO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490285809 852899024 /nfs/dbraw/zinc/89/90/24/852899024.db2.gz KAKMAWIQXNMIBR-HKUYNNGSSA-N 1 1 395.503 3.899 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH+](Cc3cccs3)CC2)c1 ZINC000505999726 852907264 /nfs/dbraw/zinc/90/72/64/852907264.db2.gz MLHZJXLKCXZQDB-UHFFFAOYSA-N 1 1 383.420 3.576 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490330184 852960072 /nfs/dbraw/zinc/96/00/72/852960072.db2.gz YRRCTWDJBCSPBN-RDJZCZTQSA-N 1 1 395.431 3.888 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490330184 852960075 /nfs/dbraw/zinc/96/00/75/852960075.db2.gz YRRCTWDJBCSPBN-RDJZCZTQSA-N 1 1 395.431 3.888 20 5 GHBDMO COc1cc(C[N@@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490355886 852976441 /nfs/dbraw/zinc/97/64/41/852976441.db2.gz RJHKYIPIZZPGMD-MRXNPFEDSA-N 1 1 390.452 3.821 20 5 GHBDMO COc1cc(C[N@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490355886 852976447 /nfs/dbraw/zinc/97/64/47/852976447.db2.gz RJHKYIPIZZPGMD-MRXNPFEDSA-N 1 1 390.452 3.821 20 5 GHBDMO CC(C)(NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000490408918 853000743 /nfs/dbraw/zinc/00/07/43/853000743.db2.gz OKYGQIYDNOLIPX-SFHVURJKSA-N 1 1 396.491 3.651 20 5 GHBDMO C[N@H+](CC(=O)NC1CC1)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506050804 853139671 /nfs/dbraw/zinc/13/96/71/853139671.db2.gz GHUZEBVPFVCUMB-UHFFFAOYSA-N 1 1 389.839 3.751 20 5 GHBDMO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506050804 853139679 /nfs/dbraw/zinc/13/96/79/853139679.db2.gz GHUZEBVPFVCUMB-UHFFFAOYSA-N 1 1 389.839 3.751 20 5 GHBDMO CC1=CC[N@@H+](CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000427467675 853146771 /nfs/dbraw/zinc/14/67/71/853146771.db2.gz UZTZOPBNXLSLKY-UHFFFAOYSA-N 1 1 395.459 3.556 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCc3cccc(F)c3)C3CC3)n2)c1 ZINC000506496201 853327074 /nfs/dbraw/zinc/32/70/74/853327074.db2.gz SVRXMJNHQLJDTR-UHFFFAOYSA-N 1 1 382.395 3.991 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCc3cccc(F)c3)C3CC3)n2)c1 ZINC000506496201 853327084 /nfs/dbraw/zinc/32/70/84/853327084.db2.gz SVRXMJNHQLJDTR-UHFFFAOYSA-N 1 1 382.395 3.991 20 5 GHBDMO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491089041 853447173 /nfs/dbraw/zinc/44/71/73/853447173.db2.gz MBZKWXDKYVVJIE-UHFFFAOYSA-N 1 1 387.411 3.593 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c(F)c1 ZINC000491092940 853448912 /nfs/dbraw/zinc/44/89/12/853448912.db2.gz URLTVXPCMUUMDQ-UHFFFAOYSA-N 1 1 383.383 3.559 20 5 GHBDMO C[N@H+](CCCOCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000439478567 853688499 /nfs/dbraw/zinc/68/84/99/853688499.db2.gz YOZIZCHHCZYKID-UHFFFAOYSA-N 1 1 391.855 3.725 20 5 GHBDMO C[N@@H+](CCCOCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000439478567 853688503 /nfs/dbraw/zinc/68/85/03/853688503.db2.gz YOZIZCHHCZYKID-UHFFFAOYSA-N 1 1 391.855 3.725 20 5 GHBDMO C[N@H+](CCCOCc1ccccc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000439486107 853695149 /nfs/dbraw/zinc/69/51/49/853695149.db2.gz KPOMQAQAUWPMJF-UHFFFAOYSA-N 1 1 382.420 3.684 20 5 GHBDMO C[N@@H+](CCCOCc1ccccc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000439486107 853695154 /nfs/dbraw/zinc/69/51/54/853695154.db2.gz KPOMQAQAUWPMJF-UHFFFAOYSA-N 1 1 382.420 3.684 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000517369221 853717840 /nfs/dbraw/zinc/71/78/40/853717840.db2.gz JVFFZRUGIDYQQZ-HNNXBMFYSA-N 1 1 385.439 3.896 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000571308702 853837512 /nfs/dbraw/zinc/83/75/12/853837512.db2.gz OWFXTOABIQCAFH-CQSZACIVSA-N 1 1 387.311 3.508 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@]3(CO)CCOc4ccccc43)o2)cc1 ZINC000441355677 854126812 /nfs/dbraw/zinc/12/68/12/854126812.db2.gz YTZKKTOYGPLUEQ-OAQYLSRUSA-N 1 1 380.400 3.615 20 5 GHBDMO CCC[N@@H+](CCc1cccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000184512915 854454152 /nfs/dbraw/zinc/45/41/52/854454152.db2.gz USLAOJZGGQVFJS-UHFFFAOYSA-N 1 1 377.466 3.558 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000248373248 854699547 /nfs/dbraw/zinc/69/95/47/854699547.db2.gz HNZHZVJZEWXGOQ-RHSMWYFYSA-N 1 1 399.472 3.781 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000248373248 854699555 /nfs/dbraw/zinc/69/95/55/854699555.db2.gz HNZHZVJZEWXGOQ-RHSMWYFYSA-N 1 1 399.472 3.781 20 5 GHBDMO COC(=O)c1cccc(NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000589199739 854744715 /nfs/dbraw/zinc/74/47/15/854744715.db2.gz ZHNMGRDCPLDKCL-UHFFFAOYSA-N 1 1 387.411 3.597 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589335172 854796522 /nfs/dbraw/zinc/79/65/22/854796522.db2.gz NAUSJCRSZPBZRI-RBUKOAKNSA-N 1 1 394.475 3.889 20 5 GHBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000589341426 854798991 /nfs/dbraw/zinc/79/89/91/854798991.db2.gz DYHGCEKXWIOSIA-IRXDYDNUSA-N 1 1 398.438 3.720 20 5 GHBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000129521755 854860721 /nfs/dbraw/zinc/86/07/21/854860721.db2.gz YRPJXRZSYVEHPF-UHFFFAOYSA-N 1 1 393.443 3.679 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000129521755 854860725 /nfs/dbraw/zinc/86/07/25/854860725.db2.gz YRPJXRZSYVEHPF-UHFFFAOYSA-N 1 1 393.443 3.679 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301550804 855241539 /nfs/dbraw/zinc/24/15/39/855241539.db2.gz QTKQFVVEWXYAGD-UONOGXRCSA-N 1 1 397.317 3.843 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000590034265 855242948 /nfs/dbraw/zinc/24/29/48/855242948.db2.gz LNGQLOHXRAOCFX-GOSISDBHSA-N 1 1 381.476 3.605 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301608866 855333591 /nfs/dbraw/zinc/33/35/91/855333591.db2.gz AGMOZDDFZAMWIQ-VQIMIIECSA-N 1 1 396.491 3.808 20 5 GHBDMO C[C@@H](NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000465666046 855544867 /nfs/dbraw/zinc/54/48/67/855544867.db2.gz RGPPJRDXUZQEFR-ZWKOTPCHSA-N 1 1 396.491 3.962 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000520553594 855643609 /nfs/dbraw/zinc/64/36/09/855643609.db2.gz IWIPJZBXBTZXJV-IBGZPJMESA-N 1 1 395.463 3.812 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000573281756 856008750 /nfs/dbraw/zinc/00/87/50/856008750.db2.gz SJTRVNGKYZSNCL-CXAGYDPISA-N 1 1 396.451 3.565 20 5 GHBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591525511 856091115 /nfs/dbraw/zinc/09/11/15/856091115.db2.gz OAEVJELTXNOREO-HNNXBMFYSA-N 1 1 377.510 3.796 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542872822 856233378 /nfs/dbraw/zinc/23/33/78/856233378.db2.gz DLGFCHOAWUXYSS-OKILXGFUSA-N 1 1 399.438 3.684 20 5 GHBDMO C[C@@H]1C[N@H+](CCCCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C[C@H](C)O1 ZINC000573570878 856323994 /nfs/dbraw/zinc/32/39/94/856323994.db2.gz NGOMDCCXMHGIGN-JKIFEVAISA-N 1 1 389.418 3.677 20 5 GHBDMO COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000482195486 862793032 /nfs/dbraw/zinc/79/30/32/862793032.db2.gz XQJQULJHAYGRHV-UHFFFAOYSA-N 1 1 396.399 3.940 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000058262398 856418231 /nfs/dbraw/zinc/41/82/31/856418231.db2.gz YPYUTKNLEHBMMW-QGZVFWFLSA-N 1 1 381.476 3.828 20 5 GHBDMO CCOc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nc1 ZINC000592131066 856671458 /nfs/dbraw/zinc/67/14/58/856671458.db2.gz SSHLLOOKZYCZHR-WGSAOQKQSA-N 1 1 385.464 3.694 20 5 GHBDMO CCOc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nc1 ZINC000592131066 856671467 /nfs/dbraw/zinc/67/14/67/856671467.db2.gz SSHLLOOKZYCZHR-WGSAOQKQSA-N 1 1 385.464 3.694 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000248456955 856675668 /nfs/dbraw/zinc/67/56/68/856675668.db2.gz LZNHWHRDXSAAAN-WDEREUQCSA-N 1 1 382.873 3.767 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H](C)c1nccs1 ZINC000248456955 856675677 /nfs/dbraw/zinc/67/56/77/856675677.db2.gz LZNHWHRDXSAAAN-WDEREUQCSA-N 1 1 382.873 3.767 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cc2)C1 ZINC000058395280 856716237 /nfs/dbraw/zinc/71/62/37/856716237.db2.gz XUQAZBKALSBZHD-CYBMUJFWSA-N 1 1 386.427 3.800 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000507946835 856729669 /nfs/dbraw/zinc/72/96/69/856729669.db2.gz AVIAJIXRDXVEKM-ZDUSSCGKSA-N 1 1 388.420 3.719 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592189246 856792735 /nfs/dbraw/zinc/79/27/35/856792735.db2.gz YYASNRGIYNQGDF-WIYYLYMNSA-N 1 1 380.444 3.728 20 5 GHBDMO Cc1ccc(C[C@H]2CCC[N@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000733300251 862845973 /nfs/dbraw/zinc/84/59/73/862845973.db2.gz LIEWHTJQAIIMAW-LJQANCHMSA-N 1 1 377.448 3.826 20 5 GHBDMO C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000485673028 856910535 /nfs/dbraw/zinc/91/05/35/856910535.db2.gz SBBXHXWYCNKGQI-SWLSCSKDSA-N 1 1 391.269 4.000 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)nc1 ZINC000173468630 856947745 /nfs/dbraw/zinc/94/77/45/856947745.db2.gz XRDYUZVIDMCMMT-OAHLLOKOSA-N 1 1 399.451 3.939 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)nc1 ZINC000173468630 856947783 /nfs/dbraw/zinc/94/77/83/856947783.db2.gz XRDYUZVIDMCMMT-OAHLLOKOSA-N 1 1 399.451 3.939 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000485877707 857179503 /nfs/dbraw/zinc/17/95/03/857179503.db2.gz AEFUYBQZEYESMM-XUVXKRRUSA-N 1 1 379.460 3.852 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC[C@H]21 ZINC000301700580 857250959 /nfs/dbraw/zinc/25/09/59/857250959.db2.gz FNMKRKNMGDPNSA-RBUKOAKNSA-N 1 1 379.460 3.746 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000159649197 862896600 /nfs/dbraw/zinc/89/66/00/862896600.db2.gz RPQPDUVTPYEABT-GOSISDBHSA-N 1 1 396.491 3.621 20 5 GHBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000174540608 857340044 /nfs/dbraw/zinc/34/00/44/857340044.db2.gz IORYBXYPFSULRI-MRXNPFEDSA-N 1 1 383.448 3.801 20 5 GHBDMO COc1ccc(CN(C)CC(C)(C)C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592427922 857403235 /nfs/dbraw/zinc/40/32/35/857403235.db2.gz YTMYHUSBKJEHMF-UHFFFAOYSA-N 1 1 387.480 3.599 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC001129099644 857638796 /nfs/dbraw/zinc/63/87/96/857638796.db2.gz RHAYOHYLOIDACQ-UHFFFAOYSA-N 1 1 397.475 3.535 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000113900968 857775692 /nfs/dbraw/zinc/77/56/92/857775692.db2.gz YZLMUBNCJPWFHO-MSOLQXFVSA-N 1 1 388.512 3.510 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(N(C)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000065956514 857892629 /nfs/dbraw/zinc/89/26/29/857892629.db2.gz KTTVZHCOWMZDFB-KRWDZBQOSA-N 1 1 396.491 3.831 20 5 GHBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312668967 857908412 /nfs/dbraw/zinc/90/84/12/857908412.db2.gz IREVGRJZKAKKLA-HOCLYGCPSA-N 1 1 387.867 3.889 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](CCCO)[C@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000114193575 857935744 /nfs/dbraw/zinc/93/57/44/857935744.db2.gz PKCDKXXDXANZAQ-NRFANRHFSA-N 1 1 397.475 3.604 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000255568907 858006889 /nfs/dbraw/zinc/00/68/89/858006889.db2.gz UUOQXBCITJSQKK-NCRRVARUSA-N 1 1 380.448 3.662 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000114475694 858054421 /nfs/dbraw/zinc/05/44/21/858054421.db2.gz LPRDQLSOZMGRJQ-QGZVFWFLSA-N 1 1 390.528 3.674 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@H](C)O)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594616096 858242783 /nfs/dbraw/zinc/24/27/83/858242783.db2.gz RNJNLLXPSRGPEM-HNNXBMFYSA-N 1 1 386.448 3.528 20 5 GHBDMO CC[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000442968393 858276556 /nfs/dbraw/zinc/27/65/56/858276556.db2.gz WSZXNRHNUJWTJC-HNNXBMFYSA-N 1 1 389.839 3.751 20 5 GHBDMO CC[N@@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000442968393 858276559 /nfs/dbraw/zinc/27/65/59/858276559.db2.gz WSZXNRHNUJWTJC-HNNXBMFYSA-N 1 1 389.839 3.751 20 5 GHBDMO Cc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)c1 ZINC000301863237 858361642 /nfs/dbraw/zinc/36/16/42/858361642.db2.gz LRWFJEQGSUKWMB-UHFFFAOYSA-N 1 1 375.432 3.687 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OC ZINC000482414066 863054111 /nfs/dbraw/zinc/05/41/11/863054111.db2.gz XESQPINEPVVUER-NRFANRHFSA-N 1 1 384.432 3.634 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OC ZINC000482414066 863054127 /nfs/dbraw/zinc/05/41/27/863054127.db2.gz XESQPINEPVVUER-NRFANRHFSA-N 1 1 384.432 3.634 20 5 GHBDMO COC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H](C)O1 ZINC000249148131 858771261 /nfs/dbraw/zinc/77/12/61/858771261.db2.gz GTHXVEMTZPCCGN-WFASDCNBSA-N 1 1 380.828 3.744 20 5 GHBDMO COC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H](C)O1 ZINC000249148131 858771264 /nfs/dbraw/zinc/77/12/64/858771264.db2.gz GTHXVEMTZPCCGN-WFASDCNBSA-N 1 1 380.828 3.744 20 5 GHBDMO COc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596152799 858794166 /nfs/dbraw/zinc/79/41/66/858794166.db2.gz RWMPQNGMYQJHPZ-UHFFFAOYSA-N 1 1 391.859 3.745 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000060090381 858847057 /nfs/dbraw/zinc/84/70/57/858847057.db2.gz RNZWHVYEZFKBOA-SFHVURJKSA-N 1 1 387.436 3.506 20 5 GHBDMO O=C(c1cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596478940 858907818 /nfs/dbraw/zinc/90/78/18/858907818.db2.gz PQHCSCXBNJSVNO-QGZVFWFLSA-N 1 1 386.496 3.650 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614059 858967903 /nfs/dbraw/zinc/96/79/03/858967903.db2.gz PXLMQVODOQLEBR-BEFAXECRSA-N 1 1 394.431 3.915 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614059 858967911 /nfs/dbraw/zinc/96/79/11/858967911.db2.gz PXLMQVODOQLEBR-BEFAXECRSA-N 1 1 394.431 3.915 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(-c3ccc([N+](=O)[O-])cc3)n2)O1 ZINC000596613840 858969078 /nfs/dbraw/zinc/96/90/78/858969078.db2.gz LSOFFFNSLSAYRL-RDTXWAMCSA-N 1 1 380.404 3.607 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(-c3ccc([N+](=O)[O-])cc3)n2)O1 ZINC000596613840 858969081 /nfs/dbraw/zinc/96/90/81/858969081.db2.gz LSOFFFNSLSAYRL-RDTXWAMCSA-N 1 1 380.404 3.607 20 5 GHBDMO CCCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cc(C)on1 ZINC000185036247 859009973 /nfs/dbraw/zinc/00/99/73/859009973.db2.gz KHKDJTBLQHRBAI-OAHLLOKOSA-N 1 1 380.832 3.832 20 5 GHBDMO C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000543256215 859048021 /nfs/dbraw/zinc/04/80/21/859048021.db2.gz CMWUFMAQTGCBNO-QWHCGFSZSA-N 1 1 385.917 3.577 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483111308 859154820 /nfs/dbraw/zinc/15/48/20/859154820.db2.gz MYXIBDIXDMNXAF-UKRRQHHQSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483111308 859154826 /nfs/dbraw/zinc/15/48/26/859154826.db2.gz MYXIBDIXDMNXAF-UKRRQHHQSA-N 1 1 387.411 3.559 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1F ZINC000543641569 859163424 /nfs/dbraw/zinc/16/34/24/859163424.db2.gz NZVNIGMRUWCQMW-UHFFFAOYSA-N 1 1 387.346 3.689 20 5 GHBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543643384 859179661 /nfs/dbraw/zinc/17/96/61/859179661.db2.gz CCXMAYKPRYAKGB-HOCLYGCPSA-N 1 1 386.427 3.766 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095316 859273621 /nfs/dbraw/zinc/27/36/21/859273621.db2.gz SBLATOLUVHOSFI-LBPRGKRZSA-N 1 1 383.880 3.607 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1(CO)CCC1 ZINC000597254864 859400159 /nfs/dbraw/zinc/40/01/59/859400159.db2.gz NDEZCAGPDHFNJP-UHFFFAOYSA-N 1 1 395.253 3.964 20 5 GHBDMO C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185128987 859487404 /nfs/dbraw/zinc/48/74/04/859487404.db2.gz WFPXCEGUNKYHMY-DZGCQCFKSA-N 1 1 394.903 3.700 20 5 GHBDMO COc1cc([C@@H](C)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc([N+](=O)[O-])c1 ZINC000903167519 859525066 /nfs/dbraw/zinc/52/50/66/859525066.db2.gz ZSAGSFSVFGEMPT-MRXNPFEDSA-N 1 1 399.491 3.927 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1F ZINC000764614184 859534272 /nfs/dbraw/zinc/53/42/72/859534272.db2.gz UDFBKLYDTXLBHY-DOTOQJQBSA-N 1 1 385.439 3.825 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611195562 859638643 /nfs/dbraw/zinc/63/86/43/859638643.db2.gz DBZLIKSAZJJSIZ-KRWDZBQOSA-N 1 1 392.459 3.718 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611200892 859648423 /nfs/dbraw/zinc/64/84/23/859648423.db2.gz ZBGUJHHOUTWPAP-LSDHHAIUSA-N 1 1 389.521 3.986 20 5 GHBDMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000474230465 859650339 /nfs/dbraw/zinc/65/03/39/859650339.db2.gz KXZNDXMICGESEV-QGZVFWFLSA-N 1 1 397.431 3.716 20 5 GHBDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000474230465 859650352 /nfs/dbraw/zinc/65/03/52/859650352.db2.gz KXZNDXMICGESEV-QGZVFWFLSA-N 1 1 397.431 3.716 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC=C(c3c[nH]c4ncccc34)CC1)OCCO2 ZINC000611253428 859664685 /nfs/dbraw/zinc/66/46/85/859664685.db2.gz AWUQXFRKTKJGHJ-UHFFFAOYSA-N 1 1 392.415 3.532 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC=C(c3c[nH]c4ncccc34)CC1)OCCO2 ZINC000611253428 859664688 /nfs/dbraw/zinc/66/46/88/859664688.db2.gz AWUQXFRKTKJGHJ-UHFFFAOYSA-N 1 1 392.415 3.532 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000552071960 859689275 /nfs/dbraw/zinc/68/92/75/859689275.db2.gz MACDNTJBIUYRAP-UHFFFAOYSA-N 1 1 392.402 3.722 20 5 GHBDMO Cc1nn(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049935 859751983 /nfs/dbraw/zinc/75/19/83/859751983.db2.gz UZEGOHWLYCCLMJ-LJQANCHMSA-N 1 1 393.491 3.664 20 5 GHBDMO C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611517948 859796698 /nfs/dbraw/zinc/79/66/98/859796698.db2.gz BFRMPAUKMFHEGA-WBVHZDCISA-N 1 1 380.448 3.736 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000060693026 859832860 /nfs/dbraw/zinc/83/28/60/859832860.db2.gz MFLJNTILCASWAF-HOTGVXAUSA-N 1 1 379.526 3.846 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000466529867 859880102 /nfs/dbraw/zinc/88/01/02/859880102.db2.gz PEHXGBPJHSUTRX-LPHOPBHVSA-N 1 1 396.491 3.792 20 5 GHBDMO 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C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093420292 860269285 /nfs/dbraw/zinc/26/92/85/860269285.db2.gz PAFBRZWURFWXQU-STQMWFEESA-N 1 1 382.507 3.577 20 5 GHBDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093420292 860269293 /nfs/dbraw/zinc/26/92/93/860269293.db2.gz PAFBRZWURFWXQU-STQMWFEESA-N 1 1 382.507 3.577 20 5 GHBDMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000484790987 860350490 /nfs/dbraw/zinc/35/04/90/860350490.db2.gz MDVJAOGAMWLYAX-QGZVFWFLSA-N 1 1 396.472 3.514 20 5 GHBDMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000484790987 860350498 /nfs/dbraw/zinc/35/04/98/860350498.db2.gz MDVJAOGAMWLYAX-QGZVFWFLSA-N 1 1 396.472 3.514 20 5 GHBDMO CN(CCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000552234866 860402618 /nfs/dbraw/zinc/40/26/18/860402618.db2.gz UUGLKNWOMCHBPJ-FQEVSTJZSA-N 1 1 397.454 3.673 20 5 GHBDMO 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C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC000171051814 863364180 /nfs/dbraw/zinc/36/41/80/863364180.db2.gz CMVCXRSDJHFWEL-IAGOWNOFSA-N 1 1 387.480 3.834 20 5 GHBDMO CC1CCC([N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]2CCCO2)CC1 ZINC000444211910 863673068 /nfs/dbraw/zinc/67/30/68/863673068.db2.gz JEAIZCZBZZMFPE-OUNSHVDWSA-N 1 1 389.496 3.617 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000153053699 881693830 /nfs/dbraw/zinc/69/38/30/881693830.db2.gz UEQCQWRWVTVIAG-MRXNPFEDSA-N 1 1 380.366 3.575 20 5 GHBDMO CC(C)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000127104485 864322503 /nfs/dbraw/zinc/32/25/03/864322503.db2.gz WCWYZAVNWOAEJK-GOSISDBHSA-N 1 1 382.464 3.624 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897061952 864377394 /nfs/dbraw/zinc/37/73/94/864377394.db2.gz BTXNFEZNPYTUAU-HNNXBMFYSA-N 1 1 398.463 3.655 20 5 GHBDMO CSc1cccc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1[N+](=O)[O-] ZINC000186172269 864404957 /nfs/dbraw/zinc/40/49/57/864404957.db2.gz YBTKOGFHSRXMEW-OAHLLOKOSA-N 1 1 383.473 3.942 20 5 GHBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000475188961 864433992 /nfs/dbraw/zinc/43/39/92/864433992.db2.gz GEDFWVWDSKHYFJ-LBPRGKRZSA-N 1 1 388.390 3.713 20 5 GHBDMO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000072097710 864482700 /nfs/dbraw/zinc/48/27/00/864482700.db2.gz HUQWZTMPQPBTIV-INIZCTEOSA-N 1 1 396.491 3.790 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000475215836 864585811 /nfs/dbraw/zinc/58/58/11/864585811.db2.gz MBPIXQJTSVIFJM-WCQYABFASA-N 1 1 388.390 3.950 20 5 GHBDMO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735490424 864826362 /nfs/dbraw/zinc/82/63/62/864826362.db2.gz KBBSFBPMQNIBME-UHFFFAOYSA-N 1 1 383.876 3.985 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H](O)c1ccc(C)cc1 ZINC000173832216 865093433 /nfs/dbraw/zinc/09/34/33/865093433.db2.gz PVYGSRMBYMPCRL-HXUWFJFHSA-N 1 1 385.464 3.596 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000716275985 865383739 /nfs/dbraw/zinc/38/37/39/865383739.db2.gz DUMSCTCDICUCRF-KUHUBIRLSA-N 1 1 387.867 3.889 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000737677810 865415956 /nfs/dbraw/zinc/41/59/56/865415956.db2.gz GAVUCKNHEPFUPF-WBVHZDCISA-N 1 1 385.439 3.859 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000608977611 865873742 /nfs/dbraw/zinc/87/37/42/865873742.db2.gz WGTCCYYHURVAQK-IBGZPJMESA-N 1 1 384.432 3.972 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000555312852 865887236 /nfs/dbraw/zinc/88/72/36/865887236.db2.gz GJBXSSBNEPYYHZ-FIKGOQFSSA-N 1 1 381.476 3.725 20 5 GHBDMO 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ZINC000444711761 867103070 /nfs/dbraw/zinc/10/30/70/867103070.db2.gz VHVYAXSTPZIFFU-CQSZACIVSA-N 1 1 383.477 3.791 20 5 GHBDMO NC(=O)CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000122115413 867157344 /nfs/dbraw/zinc/15/73/44/867157344.db2.gz TYCCGNYQCBKPNE-UHFFFAOYSA-N 1 1 379.416 3.732 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)o2)c1 ZINC000183665828 867186548 /nfs/dbraw/zinc/18/65/48/867186548.db2.gz HJQFWWVMSOUBMZ-UHFFFAOYSA-N 1 1 378.432 3.568 20 5 GHBDMO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000553525982 867625619 /nfs/dbraw/zinc/62/56/19/867625619.db2.gz LTOGQCJHNLRIBO-CYBMUJFWSA-N 1 1 397.928 3.673 20 5 GHBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442715901 868375425 /nfs/dbraw/zinc/37/54/25/868375425.db2.gz BYLPKNXTXFESSI-OAHLLOKOSA-N 1 1 385.489 3.912 20 5 GHBDMO C[C@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000442733222 868520834 /nfs/dbraw/zinc/52/08/34/868520834.db2.gz PBDYCBRRVFPBHO-CQSZACIVSA-N 1 1 385.489 3.959 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000041904763 868793969 /nfs/dbraw/zinc/79/39/69/868793969.db2.gz CTQVZIHJZQDMHV-GOSISDBHSA-N 1 1 388.855 3.519 20 5 GHBDMO C[C@H](CCc1ccccc1)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000539408549 869082049 /nfs/dbraw/zinc/08/20/49/869082049.db2.gz LLEQUWHUTXLVCS-MRXNPFEDSA-N 1 1 387.505 3.683 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539697994 869626571 /nfs/dbraw/zinc/62/65/71/869626571.db2.gz IEQPYPSOQFVICN-RDJZCZTQSA-N 1 1 394.834 3.669 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539697994 869626575 /nfs/dbraw/zinc/62/65/75/869626575.db2.gz IEQPYPSOQFVICN-RDJZCZTQSA-N 1 1 394.834 3.669 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000524866571 869691709 /nfs/dbraw/zinc/69/17/09/869691709.db2.gz DFIBQHILWXYNLA-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000524885152 869730917 /nfs/dbraw/zinc/73/09/17/869730917.db2.gz KZKNAKLLAKEOJK-QZTJIDSGSA-N 1 1 396.491 3.962 20 5 GHBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000539827832 869861190 /nfs/dbraw/zinc/86/11/90/869861190.db2.gz HHVWFLODCFVQGT-FNQPIQQGSA-N 1 1 385.851 3.999 20 5 GHBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000539827832 869861203 /nfs/dbraw/zinc/86/12/03/869861203.db2.gz HHVWFLODCFVQGT-FNQPIQQGSA-N 1 1 385.851 3.999 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000746107021 870049645 /nfs/dbraw/zinc/04/96/45/870049645.db2.gz VRWHFIKMSAVRTL-GASCZTMLSA-N 1 1 397.431 3.625 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000746107021 870049656 /nfs/dbraw/zinc/04/96/56/870049656.db2.gz VRWHFIKMSAVRTL-GASCZTMLSA-N 1 1 397.431 3.625 20 5 GHBDMO CCOc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000441056350 870095673 /nfs/dbraw/zinc/09/56/73/870095673.db2.gz BLZCUKFADVFJGU-UHFFFAOYSA-N 1 1 383.448 3.689 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1)CC1CC1 ZINC000540013083 870196722 /nfs/dbraw/zinc/19/67/22/870196722.db2.gz NEQUELWXHAVSIG-UHFFFAOYSA-N 1 1 389.496 3.578 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](O)C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462865819 870244577 /nfs/dbraw/zinc/24/45/77/870244577.db2.gz FQTNZEXQBHWXCC-FQEVSTJZSA-N 1 1 386.448 3.528 20 5 GHBDMO COc1cc(CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000538717882 870410160 /nfs/dbraw/zinc/41/01/60/870410160.db2.gz GATFZMFYZPFAIS-KRWDZBQOSA-N 1 1 399.491 3.708 20 5 GHBDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000538721602 870418786 /nfs/dbraw/zinc/41/87/86/870418786.db2.gz UEHRLGWAKMLCNQ-IBGZPJMESA-N 1 1 399.491 3.848 20 5 GHBDMO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746358069 870541737 /nfs/dbraw/zinc/54/17/37/870541737.db2.gz YSERYCNQOLTTLX-QGFLDLQWSA-N 1 1 379.460 3.731 20 5 GHBDMO CC[C@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1c1ccccc1 ZINC000746382875 870589919 /nfs/dbraw/zinc/58/99/19/870589919.db2.gz OVEAHUXTHXPWGQ-YJBOKZPZSA-N 1 1 381.432 3.976 20 5 GHBDMO CC[C@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1c1ccccc1 ZINC000746382875 870589925 /nfs/dbraw/zinc/58/99/25/870589925.db2.gz OVEAHUXTHXPWGQ-YJBOKZPZSA-N 1 1 381.432 3.976 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000463198288 871112770 /nfs/dbraw/zinc/11/27/70/871112770.db2.gz DENSMTACCNRUMX-ZSFPCNDZSA-N 1 1 380.460 3.894 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccc(C)s1)C(C)C ZINC000144922999 871125079 /nfs/dbraw/zinc/12/50/79/871125079.db2.gz RYZRDLIGXCIFSC-UHFFFAOYSA-N 1 1 377.466 3.822 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc(C)s1)C(C)C ZINC000144922999 871125084 /nfs/dbraw/zinc/12/50/84/871125084.db2.gz RYZRDLIGXCIFSC-UHFFFAOYSA-N 1 1 377.466 3.822 20 5 GHBDMO CCC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1F ZINC000540424873 871250804 /nfs/dbraw/zinc/25/08/04/871250804.db2.gz HGRASCFKQZOJFV-GOSISDBHSA-N 1 1 389.402 3.893 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC3(CCCC3)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000443350492 871482691 /nfs/dbraw/zinc/48/26/91/871482691.db2.gz XRISGJIOROQNTM-UHFFFAOYSA-N 1 1 375.469 3.655 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181828851 871525390 /nfs/dbraw/zinc/52/53/90/871525390.db2.gz KBRDWXNTSMLAOB-IBGZPJMESA-N 1 1 399.447 3.514 20 5 GHBDMO C[C@@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539238014 871572951 /nfs/dbraw/zinc/57/29/51/871572951.db2.gz AETZDJSESOJYCZ-OAHLLOKOSA-N 1 1 382.464 3.671 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000181982041 871686324 /nfs/dbraw/zinc/68/63/24/871686324.db2.gz CGMMBNIODZVVPJ-GHMZBOCLSA-N 1 1 379.363 3.559 20 5 GHBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000618570494 871725864 /nfs/dbraw/zinc/72/58/64/871725864.db2.gz KCCPMSOZHFQCGS-QHAWAJNXSA-N 1 1 397.523 3.777 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000462183490 871786055 /nfs/dbraw/zinc/78/60/55/871786055.db2.gz BXSQUIYPAAKNAP-WMLDXEAASA-N 1 1 385.489 3.567 20 5 GHBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ncc(-c3ccccc3)cn2)n1 ZINC000447600193 871959250 /nfs/dbraw/zinc/95/92/50/871959250.db2.gz ZSASKBIAFDCMJE-MSOLQXFVSA-N 1 1 378.436 3.522 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000447677541 872082924 /nfs/dbraw/zinc/08/29/24/872082924.db2.gz GOOKZGHRNCPADL-MWLCHTKSSA-N 1 1 380.317 3.683 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000478014238 872319084 /nfs/dbraw/zinc/31/90/84/872319084.db2.gz GBHQDBYNOGRAFF-ROUUACIJSA-N 1 1 375.469 3.511 20 5 GHBDMO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000447932568 872566959 /nfs/dbraw/zinc/56/69/59/872566959.db2.gz ZNCCNKHNBAVJRD-YWZLYKJASA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000447932568 872566963 /nfs/dbraw/zinc/56/69/63/872566963.db2.gz ZNCCNKHNBAVJRD-YWZLYKJASA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448034771 872723854 /nfs/dbraw/zinc/72/38/54/872723854.db2.gz LGEYGXBBXONZDT-YWZLYKJASA-N 1 1 382.464 3.825 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1OC ZINC000541058623 872813681 /nfs/dbraw/zinc/81/36/81/872813681.db2.gz UIECJWQRUCFTAE-ULQDDVLXSA-N 1 1 392.496 3.887 20 5 GHBDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000460355514 872929844 /nfs/dbraw/zinc/92/98/44/872929844.db2.gz XNMRYWZFMPAQFG-ROUUACIJSA-N 1 1 383.492 3.720 20 5 GHBDMO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001196469213 873117163 /nfs/dbraw/zinc/11/71/63/873117163.db2.gz HTIUIXCFAWXJSB-DJJJIMSYSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001196469213 873117169 /nfs/dbraw/zinc/11/71/69/873117169.db2.gz HTIUIXCFAWXJSB-DJJJIMSYSA-N 1 1 379.432 3.613 20 5 GHBDMO COc1cc(CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c([N+](=O)[O-])cc1F ZINC000464093378 873191238 /nfs/dbraw/zinc/19/12/38/873191238.db2.gz PCVOYOPWMFVDEV-CQSZACIVSA-N 1 1 389.427 3.748 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000541261311 873231964 /nfs/dbraw/zinc/23/19/64/873231964.db2.gz DVSNWIJEUFTVPQ-KRWDZBQOSA-N 1 1 399.516 3.810 20 5 GHBDMO COc1ccc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)CCCO)cc1 ZINC001196684557 873294803 /nfs/dbraw/zinc/29/48/03/873294803.db2.gz NOIYAZVVZHLPIS-OAHLLOKOSA-N 1 1 398.463 3.643 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)CCCO)cc1 ZINC001196684557 873294812 /nfs/dbraw/zinc/29/48/12/873294812.db2.gz NOIYAZVVZHLPIS-OAHLLOKOSA-N 1 1 398.463 3.643 20 5 GHBDMO Cc1cc(Cl)ccc1C1=CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC001196705640 873311826 /nfs/dbraw/zinc/31/18/26/873311826.db2.gz GOERKKOMMXXYAL-UHFFFAOYSA-N 1 1 385.851 3.945 20 5 GHBDMO Cc1cc(Cl)ccc1C1=CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC001196705640 873311840 /nfs/dbraw/zinc/31/18/40/873311840.db2.gz GOERKKOMMXXYAL-UHFFFAOYSA-N 1 1 385.851 3.945 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001197060608 873570130 /nfs/dbraw/zinc/57/01/30/873570130.db2.gz XTJYPRHIOWDVEN-OAHLLOKOSA-N 1 1 378.469 3.936 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001197060608 873570136 /nfs/dbraw/zinc/57/01/36/873570136.db2.gz XTJYPRHIOWDVEN-OAHLLOKOSA-N 1 1 378.469 3.936 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+](C)Cc3cccc(C(N)=O)c3)o2)c([N+](=O)[O-])c1 ZINC000768927150 873697374 /nfs/dbraw/zinc/69/73/74/873697374.db2.gz QGFJJOZLPHXDFU-UHFFFAOYSA-N 1 1 395.415 3.594 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+](C)Cc3cccc(C(N)=O)c3)o2)c([N+](=O)[O-])c1 ZINC000768927150 873697384 /nfs/dbraw/zinc/69/73/84/873697384.db2.gz QGFJJOZLPHXDFU-UHFFFAOYSA-N 1 1 395.415 3.594 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3C3OCCO3)o2)c([N+](=O)[O-])c1 ZINC000769299202 873948706 /nfs/dbraw/zinc/94/87/06/873948706.db2.gz VYLIFGVWQLQVQD-QGZVFWFLSA-N 1 1 388.420 3.591 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3C3OCCO3)o2)c([N+](=O)[O-])c1 ZINC000769299202 873948709 /nfs/dbraw/zinc/94/87/09/873948709.db2.gz VYLIFGVWQLQVQD-QGZVFWFLSA-N 1 1 388.420 3.591 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)c([N+](=O)[O-])cc1F ZINC000464488299 873949563 /nfs/dbraw/zinc/94/95/63/873949563.db2.gz SPXUNICGAFWJHV-AWEZNQCLSA-N 1 1 384.411 3.838 20 5 GHBDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000769342361 873985864 /nfs/dbraw/zinc/98/58/64/873985864.db2.gz LJHCWHYSDPSICS-GOSISDBHSA-N 1 1 383.448 3.832 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000023236330 874063782 /nfs/dbraw/zinc/06/37/82/874063782.db2.gz ZYANQCDLOYASDG-LJQANCHMSA-N 1 1 394.431 3.964 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](Oc4ccc(C5CC5)cn4)C3)nc2c1 ZINC000858051594 882790924 /nfs/dbraw/zinc/79/09/24/882790924.db2.gz YZFRZLDUYDONAJ-INIZCTEOSA-N 1 1 380.404 3.662 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](Oc4ccc(C5CC5)cn4)C3)nc2c1 ZINC000858051594 882790931 /nfs/dbraw/zinc/79/09/31/882790931.db2.gz YZFRZLDUYDONAJ-INIZCTEOSA-N 1 1 380.404 3.662 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541681051 874087226 /nfs/dbraw/zinc/08/72/26/874087226.db2.gz OQJBKTZNXJIDGP-OAHLLOKOSA-N 1 1 389.521 3.844 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775847021 874401270 /nfs/dbraw/zinc/40/12/70/874401270.db2.gz XXVFHDWJZKVNDN-QZHFEQFPSA-N 1 1 390.480 3.603 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775847021 874401277 /nfs/dbraw/zinc/40/12/77/874401277.db2.gz XXVFHDWJZKVNDN-QZHFEQFPSA-N 1 1 390.480 3.603 20 5 GHBDMO O=C1[C@@H]([N@H+]2CC[C@H](CSc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000464766661 874458919 /nfs/dbraw/zinc/45/89/19/874458919.db2.gz UWVXULBHFXBKOO-JXFKEZNVSA-N 1 1 397.500 3.814 20 5 GHBDMO COc1ccc(OCCN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000464842853 874615830 /nfs/dbraw/zinc/61/58/30/874615830.db2.gz MNBFLYOJCOBFSL-SFHVURJKSA-N 1 1 399.491 3.579 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464843108 874615917 /nfs/dbraw/zinc/61/59/17/874615917.db2.gz PZWSLLKIHXECRV-ZWKOTPCHSA-N 1 1 396.491 3.518 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)CC2CCOCC2)cc1OC ZINC000541986306 874675232 /nfs/dbraw/zinc/67/52/32/874675232.db2.gz FUQONJDLGUESKZ-HNNXBMFYSA-N 1 1 380.485 3.887 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)CSc3ccccc3[N+](=O)[O-])sc2C1 ZINC000542208899 875183275 /nfs/dbraw/zinc/18/32/75/875183275.db2.gz LOMZGIWLFQKGAP-UHFFFAOYSA-N 1 1 392.506 3.549 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)CSc3ccccc3[N+](=O)[O-])sc2C1 ZINC000542208899 875183279 /nfs/dbraw/zinc/18/32/79/875183279.db2.gz LOMZGIWLFQKGAP-UHFFFAOYSA-N 1 1 392.506 3.549 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)c1 ZINC000465182758 875260077 /nfs/dbraw/zinc/26/00/77/875260077.db2.gz GONJIXYLYWDWQL-OAHLLOKOSA-N 1 1 399.447 3.576 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465191231 875279279 /nfs/dbraw/zinc/27/92/79/875279279.db2.gz LBTNVLOVDBIFHW-HNNXBMFYSA-N 1 1 383.448 3.876 20 5 GHBDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000449747913 875342927 /nfs/dbraw/zinc/34/29/27/875342927.db2.gz YTMVZKKVDNDYDZ-OAHLLOKOSA-N 1 1 388.493 3.559 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271808814 875505509 /nfs/dbraw/zinc/50/55/09/875505509.db2.gz MXJLJXSZMQVQSM-RMKBEBRYSA-N 1 1 376.478 3.970 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccc2nccn2c1 ZINC001201281305 875588399 /nfs/dbraw/zinc/58/83/99/875588399.db2.gz CUKLOBLBMOGWEP-UHFFFAOYSA-N 1 1 397.438 3.591 20 5 GHBDMO O=[N+]([O-])c1cccc2c1ccnc2NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000450225212 876115924 /nfs/dbraw/zinc/11/59/24/876115924.db2.gz FNVZHITVBMOZSD-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO COc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001202425263 876191222 /nfs/dbraw/zinc/19/12/22/876191222.db2.gz MIGYAJZFIYJLIO-GOSISDBHSA-N 1 1 398.463 3.780 20 5 GHBDMO C[C@@H]1C[N@@H+](CCC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000537659562 883006597 /nfs/dbraw/zinc/00/65/97/883006597.db2.gz YJYANOWGHMLXCC-QCHNEIPXSA-N 1 1 387.524 3.819 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000537659562 883006612 /nfs/dbraw/zinc/00/66/12/883006612.db2.gz YJYANOWGHMLXCC-QCHNEIPXSA-N 1 1 387.524 3.819 20 5 GHBDMO CCOc1cc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492512009 876973253 /nfs/dbraw/zinc/97/32/53/876973253.db2.gz KATGTJJJRUYRRH-UHFFFAOYSA-N 1 1 387.455 3.841 20 5 GHBDMO CCOc1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492512009 876973268 /nfs/dbraw/zinc/97/32/68/876973268.db2.gz KATGTJJJRUYRRH-UHFFFAOYSA-N 1 1 387.455 3.841 20 5 GHBDMO CCOc1cc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492512009 876973277 /nfs/dbraw/zinc/97/32/77/876973277.db2.gz KATGTJJJRUYRRH-UHFFFAOYSA-N 1 1 387.455 3.841 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610003731 877277736 /nfs/dbraw/zinc/27/77/36/877277736.db2.gz IRZREQBJCBEKQB-CYBMUJFWSA-N 1 1 387.411 3.690 20 5 GHBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492676570 877327766 /nfs/dbraw/zinc/32/77/66/877327766.db2.gz RLCZUMYDWYCKET-DOTOQJQBSA-N 1 1 377.485 3.510 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000787405536 877399906 /nfs/dbraw/zinc/39/99/06/877399906.db2.gz FRQHBKOKDCBABC-OBHPCNEJSA-N 1 1 375.469 3.845 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000031005674 877746181 /nfs/dbraw/zinc/74/61/81/877746181.db2.gz LCTBLCUDJUSQMP-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000031005674 877746191 /nfs/dbraw/zinc/74/61/91/877746191.db2.gz LCTBLCUDJUSQMP-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537707120 878105697 /nfs/dbraw/zinc/10/56/97/878105697.db2.gz XQAHRXGFRFKLBX-LJQANCHMSA-N 1 1 381.476 3.867 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nc(Cc4ccccc4)no3)C2)cc1 ZINC000451548101 878125499 /nfs/dbraw/zinc/12/54/99/878125499.db2.gz MUWMRXNQXABVQE-GOSISDBHSA-N 1 1 378.432 3.948 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nc(Cc4ccccc4)no3)C2)cc1 ZINC000451548101 878125506 /nfs/dbraw/zinc/12/55/06/878125506.db2.gz MUWMRXNQXABVQE-GOSISDBHSA-N 1 1 378.432 3.948 20 5 GHBDMO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549704 878125781 /nfs/dbraw/zinc/12/57/81/878125781.db2.gz QHZXWQQKEFSEPD-DOTOQJQBSA-N 1 1 378.436 3.511 20 5 GHBDMO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549704 878125786 /nfs/dbraw/zinc/12/57/86/878125786.db2.gz QHZXWQQKEFSEPD-DOTOQJQBSA-N 1 1 378.436 3.511 20 5 GHBDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000616135981 878567238 /nfs/dbraw/zinc/56/72/38/878567238.db2.gz GDZKMGHJOGUZCP-SFHVURJKSA-N 1 1 384.432 3.656 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451912589 878687357 /nfs/dbraw/zinc/68/73/57/878687357.db2.gz PKQRHUVXVOZCSI-QGZVFWFLSA-N 1 1 385.247 3.908 20 5 GHBDMO Cc1ccncc1N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000467550004 879048054 /nfs/dbraw/zinc/04/80/54/879048054.db2.gz FXCRXMVQARGGFV-UHFFFAOYSA-N 1 1 378.432 3.880 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)c2c(Cl)c1 ZINC000853571657 879130137 /nfs/dbraw/zinc/13/01/37/879130137.db2.gz MMFJFPXTWUGJDJ-GUYCJALGSA-N 1 1 378.860 3.837 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)c2c(Cl)c1 ZINC000853571657 879130143 /nfs/dbraw/zinc/13/01/43/879130143.db2.gz MMFJFPXTWUGJDJ-GUYCJALGSA-N 1 1 378.860 3.837 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790169340 879505153 /nfs/dbraw/zinc/50/51/53/879505153.db2.gz MNRMHATXRLHQOA-HKUYNNGSSA-N 1 1 383.423 3.799 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c2c(c1)COCO2 ZINC000069286850 880067757 /nfs/dbraw/zinc/06/77/57/880067757.db2.gz GCGVRYPIMGWVDT-UHFFFAOYSA-N 1 1 395.415 3.982 20 5 GHBDMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000792187020 880975804 /nfs/dbraw/zinc/97/58/04/880975804.db2.gz KVBKPRJGVXQCTM-NRFANRHFSA-N 1 1 380.448 3.547 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC001170194463 881227343 /nfs/dbraw/zinc/22/73/43/881227343.db2.gz NXQIAYHPMVTSMW-QGZVFWFLSA-N 1 1 390.867 3.900 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000174966742 883129315 /nfs/dbraw/zinc/12/93/15/883129315.db2.gz WANPPRBBFLLPIQ-INIZCTEOSA-N 1 1 387.867 3.842 20 5 GHBDMO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350708 883163271 /nfs/dbraw/zinc/16/32/71/883163271.db2.gz HVJLXDCOYMXSAH-SFHVURJKSA-N 1 1 383.492 3.861 20 5 GHBDMO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350708 883163281 /nfs/dbraw/zinc/16/32/81/883163281.db2.gz HVJLXDCOYMXSAH-SFHVURJKSA-N 1 1 383.492 3.861 20 5 GHBDMO C[N@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000609449408 883205693 /nfs/dbraw/zinc/20/56/93/883205693.db2.gz QHJVWABSXWEBOE-QGZVFWFLSA-N 1 1 393.365 3.851 20 5 GHBDMO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000609449408 883205708 /nfs/dbraw/zinc/20/57/08/883205708.db2.gz QHJVWABSXWEBOE-QGZVFWFLSA-N 1 1 393.365 3.851 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCS[C@H](c4ccccc4)C3)n2)c1 ZINC000609800330 883661201 /nfs/dbraw/zinc/66/12/01/883661201.db2.gz BPIPHMQXTNRKMR-KRWDZBQOSA-N 1 1 382.445 3.935 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCS[C@H](c4ccccc4)C3)n2)c1 ZINC000609800330 883661207 /nfs/dbraw/zinc/66/12/07/883661207.db2.gz BPIPHMQXTNRKMR-KRWDZBQOSA-N 1 1 382.445 3.935 20 5 GHBDMO C[NH+](C)C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000859848005 884118439 /nfs/dbraw/zinc/11/84/39/884118439.db2.gz ZJWXDGJXPVUREO-MSOLQXFVSA-N 1 1 398.290 3.828 20 5 GHBDMO CCNc1ccc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000070854524 884496528 /nfs/dbraw/zinc/49/65/28/884496528.db2.gz DUECGNHFFWASIB-OAHLLOKOSA-N 1 1 398.463 3.672 20 5 GHBDMO COc1ccc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001130668728 884809161 /nfs/dbraw/zinc/80/91/61/884809161.db2.gz PNUUNDVEKJBBTN-YESZJQIVSA-N 1 1 397.475 3.727 20 5 GHBDMO Cc1cc(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)ccc1Br ZINC000495249440 884959599 /nfs/dbraw/zinc/95/95/99/884959599.db2.gz HDIFDPSELMFPKB-UHFFFAOYSA-N 1 1 393.285 3.779 20 5 GHBDMO COc1cccc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000498655900 885176016 /nfs/dbraw/zinc/17/60/16/885176016.db2.gz YRUBVMKUKRKEQG-OAHLLOKOSA-N 1 1 383.448 3.810 20 5 GHBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000550619838 885511889 /nfs/dbraw/zinc/51/18/89/885511889.db2.gz TUFBYMMLKFZXEK-UHFFFAOYSA-N 1 1 396.491 3.746 20 5 GHBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OC(F)F)c1 ZINC000171128015 885737887 /nfs/dbraw/zinc/73/78/87/885737887.db2.gz LXGWUILDEVXOAH-NSHDSACASA-N 1 1 380.347 3.914 20 5 GHBDMO CCOCCCN1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000495439878 885808716 /nfs/dbraw/zinc/80/87/16/885808716.db2.gz OHEBYJSILKLTFX-YJBOKZPZSA-N 1 1 383.920 3.517 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc(Br)c1 ZINC000532493421 885854856 /nfs/dbraw/zinc/85/48/56/885854856.db2.gz RWQVDCFEVXAJBK-GFCCVEGCSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cccc(Br)c1 ZINC000532493421 885854867 /nfs/dbraw/zinc/85/48/67/885854867.db2.gz RWQVDCFEVXAJBK-GFCCVEGCSA-N 1 1 392.253 3.816 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000808059329 885962578 /nfs/dbraw/zinc/96/25/78/885962578.db2.gz BPYULRLQBXLEEB-WGLAMXGCSA-N 1 1 399.516 3.958 20 5 GHBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000532584207 886182135 /nfs/dbraw/zinc/18/21/35/886182135.db2.gz OJSAWEXGOBAVGZ-KRWDZBQOSA-N 1 1 383.448 3.846 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000067795644 886566440 /nfs/dbraw/zinc/56/64/40/886566440.db2.gz ADSFCGGIQKXYCE-MRXNPFEDSA-N 1 1 397.475 3.765 20 5 GHBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000808929161 886948231 /nfs/dbraw/zinc/94/82/31/886948231.db2.gz QWCQPSYENUACND-NRFANRHFSA-N 1 1 399.878 3.986 20 5 GHBDMO COCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000272426904 887478335 /nfs/dbraw/zinc/47/83/35/887478335.db2.gz IWJYZLASLATTLE-ABAIWWIYSA-N 1 1 381.816 3.536 20 5 GHBDMO COC[C@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000272570064 887777379 /nfs/dbraw/zinc/77/73/79/887777379.db2.gz JPEMMPRJQMFHSB-HNNXBMFYSA-N 1 1 396.390 3.725 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809918374 887967205 /nfs/dbraw/zinc/96/72/05/887967205.db2.gz YEKWWJRHPTXYPS-HNNXBMFYSA-N 1 1 388.855 3.892 20 5 GHBDMO CC(C)Oc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001132075724 888172357 /nfs/dbraw/zinc/17/23/57/888172357.db2.gz WEDLEUMMAYSPGS-QGZVFWFLSA-N 1 1 397.475 3.901 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)[C@H]1c1cccs1 ZINC000865558679 888443049 /nfs/dbraw/zinc/44/30/49/888443049.db2.gz NSEXXDCVITWLSS-SGTLLEGYSA-N 1 1 379.457 3.783 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000865988792 888680626 /nfs/dbraw/zinc/68/06/26/888680626.db2.gz FYBXQHRECKAHAN-LPHOPBHVSA-N 1 1 399.466 3.788 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000866058027 888713684 /nfs/dbraw/zinc/71/36/84/888713684.db2.gz SFSFQHLFHBGLAM-KUHUBIRLSA-N 1 1 391.468 3.537 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153845188 888724427 /nfs/dbraw/zinc/72/44/27/888724427.db2.gz WPYFEZCWQPRHMV-IBGZPJMESA-N 1 1 397.479 3.817 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nc1 ZINC000153986075 889010692 /nfs/dbraw/zinc/01/06/92/889010692.db2.gz HJZOKQZXCBKAEJ-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nc1 ZINC000153986075 889010703 /nfs/dbraw/zinc/01/07/03/889010703.db2.gz HJZOKQZXCBKAEJ-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1nn(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121231342 889037188 /nfs/dbraw/zinc/03/71/88/889037188.db2.gz GQKCMMHIZQLQKB-LJQANCHMSA-N 1 1 393.491 3.664 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCc2ccccc21 ZINC000532935157 889378611 /nfs/dbraw/zinc/37/86/11/889378611.db2.gz OMMLVDSEPQUTIJ-IBGZPJMESA-N 1 1 383.448 3.941 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000811484388 889634625 /nfs/dbraw/zinc/63/46/25/889634625.db2.gz VXVYRCIEIRPJSB-QGZVFWFLSA-N 1 1 382.416 3.918 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000796146171 913370817 /nfs/dbraw/zinc/37/08/17/913370817.db2.gz PFMODNKQFJCMHQ-GFCCVEGCSA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000796146171 913370827 /nfs/dbraw/zinc/37/08/27/913370827.db2.gz PFMODNKQFJCMHQ-GFCCVEGCSA-N 1 1 393.793 3.529 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000533297909 890237866 /nfs/dbraw/zinc/23/78/66/890237866.db2.gz MFQCMPYWICVYIB-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000795103186 890265910 /nfs/dbraw/zinc/26/59/10/890265910.db2.gz PMZIBAUMORFKHL-BBRMVZONSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000795103186 890265925 /nfs/dbraw/zinc/26/59/25/890265925.db2.gz PMZIBAUMORFKHL-BBRMVZONSA-N 1 1 379.432 3.565 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533431190 890547471 /nfs/dbraw/zinc/54/74/71/890547471.db2.gz XTGRTPCUPUGLMM-PWIZWCRZSA-N 1 1 389.496 3.757 20 5 GHBDMO Cc1ccc(N2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cc1 ZINC000917088260 891068066 /nfs/dbraw/zinc/06/80/66/891068066.db2.gz GYWLBUIPJZLLIL-UHFFFAOYSA-N 1 1 393.447 3.666 20 5 GHBDMO Cc1ccc(N2CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cc1 ZINC000917088260 891068081 /nfs/dbraw/zinc/06/80/81/891068081.db2.gz GYWLBUIPJZLLIL-UHFFFAOYSA-N 1 1 393.447 3.666 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000872065188 891135162 /nfs/dbraw/zinc/13/51/62/891135162.db2.gz VGVDSCWHGBRWTE-SNVBAGLBSA-N 1 1 386.520 3.633 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000064350415 891232963 /nfs/dbraw/zinc/23/29/63/891232963.db2.gz QNXDNIWIXQAWMA-UHFFFAOYSA-N 1 1 387.392 3.780 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000064350415 891232981 /nfs/dbraw/zinc/23/29/81/891232981.db2.gz QNXDNIWIXQAWMA-UHFFFAOYSA-N 1 1 387.392 3.780 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc([C@H]2CCOC2)c1 ZINC000813171343 891332111 /nfs/dbraw/zinc/33/21/11/891332111.db2.gz UPONOIVEXXKUHX-FPOVZHCZSA-N 1 1 396.443 3.530 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc([C@H]2CCOC2)c1 ZINC000813171343 891332126 /nfs/dbraw/zinc/33/21/26/891332126.db2.gz UPONOIVEXXKUHX-FPOVZHCZSA-N 1 1 396.443 3.530 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc2ncccc21 ZINC000813172744 891333531 /nfs/dbraw/zinc/33/35/31/891333531.db2.gz NFYXKBJTSUJOOB-KRWDZBQOSA-N 1 1 377.400 3.574 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc2ncccc21 ZINC000813172744 891333550 /nfs/dbraw/zinc/33/35/50/891333550.db2.gz NFYXKBJTSUJOOB-KRWDZBQOSA-N 1 1 377.400 3.574 20 5 GHBDMO CC(C)[C@H]1C[C@H](CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCO1 ZINC000813172627 891333638 /nfs/dbraw/zinc/33/36/38/891333638.db2.gz PFRTYPDHALGESH-LSTHTHJFSA-N 1 1 390.480 3.554 20 5 GHBDMO CC(C)[C@H]1C[C@H](CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCO1 ZINC000813172627 891333655 /nfs/dbraw/zinc/33/36/55/891333655.db2.gz PFRTYPDHALGESH-LSTHTHJFSA-N 1 1 390.480 3.554 20 5 GHBDMO Cc1ccc([C@H](C)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000191837725 891563408 /nfs/dbraw/zinc/56/34/08/891563408.db2.gz BRITUFCBBNCJLI-RXVVDRJESA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000191837725 891563412 /nfs/dbraw/zinc/56/34/12/891563412.db2.gz BRITUFCBBNCJLI-RXVVDRJESA-N 1 1 383.492 3.845 20 5 GHBDMO COc1cccc(NC2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000110037342 891581196 /nfs/dbraw/zinc/58/11/96/891581196.db2.gz BYPQZSZULKUBDU-HNNXBMFYSA-N 1 1 398.463 3.507 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813409369 891586249 /nfs/dbraw/zinc/58/62/49/891586249.db2.gz GDIQXXQLPNZJAW-TXEJJXNPSA-N 1 1 388.295 3.999 20 5 GHBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000497483107 891680557 /nfs/dbraw/zinc/68/05/57/891680557.db2.gz LZVNVMBJCWXWIT-KBPBESRZSA-N 1 1 388.493 3.569 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc([S@@](C)=O)cc1 ZINC000533742912 892720467 /nfs/dbraw/zinc/72/04/67/892720467.db2.gz NXYMFNOHINYRDH-RPHGYIDUSA-N 1 1 384.404 3.784 20 5 GHBDMO Cc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933342010 893010340 /nfs/dbraw/zinc/01/03/40/893010340.db2.gz SOXANINMVVTHGU-CMPLNLGQSA-N 1 1 388.390 3.868 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001134556151 893076896 /nfs/dbraw/zinc/07/68/96/893076896.db2.gz NZPNHKNSHPTCLK-OAHLLOKOSA-N 1 1 377.510 3.844 20 5 GHBDMO Cc1cc(Br)c2c(c1)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000778190758 893190423 /nfs/dbraw/zinc/19/04/23/893190423.db2.gz TZFQYPOWTXOSCE-GOSISDBHSA-N 1 1 391.265 3.757 20 5 GHBDMO Cc1cc(Br)c2c(c1)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000778190758 893190427 /nfs/dbraw/zinc/19/04/27/893190427.db2.gz TZFQYPOWTXOSCE-GOSISDBHSA-N 1 1 391.265 3.757 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000934332157 893552503 /nfs/dbraw/zinc/55/25/03/893552503.db2.gz DJGCMZGARNKJAW-NSHDSACASA-N 1 1 399.419 3.726 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](O)[C@H](C4CCCC4)C3)o2)c1 ZINC000459785448 894201586 /nfs/dbraw/zinc/20/15/86/894201586.db2.gz BYMSRPHHPPSTDF-RBUKOAKNSA-N 1 1 385.464 3.665 20 5 GHBDMO Cc1ccc(S(=O)(=O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000537031484 894240495 /nfs/dbraw/zinc/24/04/95/894240495.db2.gz SCXJNLVETDROCN-UHFFFAOYSA-N 1 1 390.505 3.978 20 5 GHBDMO Cc1ccc(S(=O)(=O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000537031484 894240505 /nfs/dbraw/zinc/24/05/05/894240505.db2.gz SCXJNLVETDROCN-UHFFFAOYSA-N 1 1 390.505 3.978 20 5 GHBDMO COc1cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000537175017 894495777 /nfs/dbraw/zinc/49/57/77/894495777.db2.gz NWGVQKWGDPZBTK-INIZCTEOSA-N 1 1 398.410 3.815 20 5 GHBDMO Cc1c(CC(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000816453115 894845001 /nfs/dbraw/zinc/84/50/01/894845001.db2.gz KGXDIAFDRJTNJX-IIBYNOLFSA-N 1 1 382.460 3.900 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000564916443 895309029 /nfs/dbraw/zinc/30/90/29/895309029.db2.gz CJWGKIVSMUNFHK-HNNXBMFYSA-N 1 1 394.374 3.858 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000564916443 895309044 /nfs/dbraw/zinc/30/90/44/895309044.db2.gz CJWGKIVSMUNFHK-HNNXBMFYSA-N 1 1 394.374 3.858 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000817286864 895439071 /nfs/dbraw/zinc/43/90/71/895439071.db2.gz NHJKXVWTUQNELY-UHFFFAOYSA-N 1 1 379.432 3.709 20 5 GHBDMO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000774911128 914013205 /nfs/dbraw/zinc/01/32/05/914013205.db2.gz YSCVAMPMNNJYJH-INIZCTEOSA-N 1 1 384.436 3.599 20 5 GHBDMO Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)n1 ZINC000566036545 896061986 /nfs/dbraw/zinc/06/19/86/896061986.db2.gz MTSLJSQEOSLYNX-OAHLLOKOSA-N 1 1 395.488 3.905 20 5 GHBDMO C[C@@H](NC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000819065253 896382622 /nfs/dbraw/zinc/38/26/22/896382622.db2.gz FKEPREAPYJUDGW-UTKZUKDTSA-N 1 1 383.492 3.881 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000819186258 896455727 /nfs/dbraw/zinc/45/57/27/896455727.db2.gz XHFPBYIGHCYVED-XLIONFOSSA-N 1 1 394.475 3.540 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000819323607 896568088 /nfs/dbraw/zinc/56/80/88/896568088.db2.gz NMSCPUDHDKTVLB-DENIHFKCSA-N 1 1 383.492 3.520 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819323607 896568098 /nfs/dbraw/zinc/56/80/98/896568098.db2.gz NMSCPUDHDKTVLB-DENIHFKCSA-N 1 1 383.492 3.520 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000820009230 897083232 /nfs/dbraw/zinc/08/32/32/897083232.db2.gz BXCVRTSXZMOSIV-WIYYLYMNSA-N 1 1 390.443 3.833 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])cc1 ZINC000303002518 914190803 /nfs/dbraw/zinc/19/08/03/914190803.db2.gz IGYGEZXEUBUQNM-MRXNPFEDSA-N 1 1 385.489 3.878 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc2)C1 ZINC000822537103 898426465 /nfs/dbraw/zinc/42/64/65/898426465.db2.gz HKIZMVZJCAJVNY-CALCHBBNSA-N 1 1 375.513 3.616 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000823974641 899336830 /nfs/dbraw/zinc/33/68/30/899336830.db2.gz SVQDNSPKCNRSME-RDJZCZTQSA-N 1 1 397.479 3.599 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000570610401 899438966 /nfs/dbraw/zinc/43/89/66/899438966.db2.gz WMAVUPAONQENPA-UHFFFAOYSA-N 1 1 382.464 3.815 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000332263194 899527221 /nfs/dbraw/zinc/52/72/21/899527221.db2.gz BHURROSCSDLCKF-VNHYZAJKSA-N 1 1 397.422 3.674 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)co2)cc1 ZINC000119429437 899608741 /nfs/dbraw/zinc/60/87/41/899608741.db2.gz XYFWHESUKFDCHC-ZWKOTPCHSA-N 1 1 383.404 3.931 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)co2)cc1 ZINC000119429437 899608751 /nfs/dbraw/zinc/60/87/51/899608751.db2.gz XYFWHESUKFDCHC-ZWKOTPCHSA-N 1 1 383.404 3.931 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccco3)co2)cc1 ZINC000119429560 899609137 /nfs/dbraw/zinc/60/91/37/899609137.db2.gz XYFWHESUKFDCHC-ROUUACIJSA-N 1 1 383.404 3.931 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccco3)co2)cc1 ZINC000119429560 899609146 /nfs/dbraw/zinc/60/91/46/899609146.db2.gz XYFWHESUKFDCHC-ROUUACIJSA-N 1 1 383.404 3.931 20 5 GHBDMO COc1c(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000332543753 899752579 /nfs/dbraw/zinc/75/25/79/899752579.db2.gz YRWUAFCFJUENIO-INIZCTEOSA-N 1 1 389.496 3.720 20 5 GHBDMO COC(=O)/C=C/c1ccc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000772904625 900838998 /nfs/dbraw/zinc/83/89/98/900838998.db2.gz RPXAPHKGCSDMBB-LKUPDRCFSA-N 1 1 375.469 3.561 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)c1Br ZINC000886688444 901227988 /nfs/dbraw/zinc/22/79/88/901227988.db2.gz RPMXBYNVIWYHTE-CYBMUJFWSA-N 1 1 377.242 3.527 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)c1Br ZINC000886688444 901227994 /nfs/dbraw/zinc/22/79/94/901227994.db2.gz RPMXBYNVIWYHTE-CYBMUJFWSA-N 1 1 377.242 3.527 20 5 GHBDMO C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000575847020 901377455 /nfs/dbraw/zinc/37/74/55/901377455.db2.gz CFSXPOXHNJGOMH-DZFGPLHGSA-N 1 1 393.487 3.679 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000122131175 901731974 /nfs/dbraw/zinc/73/19/74/901731974.db2.gz CJZBBIIKXFOFEU-CXAGYDPISA-N 1 1 388.493 3.521 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778942452 902024129 /nfs/dbraw/zinc/02/41/29/902024129.db2.gz DVBGQJHEEBEJTA-INIZCTEOSA-N 1 1 393.484 3.682 20 5 GHBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)c1 ZINC000047742818 902355513 /nfs/dbraw/zinc/35/55/13/902355513.db2.gz MQWVZOAUEFALRC-UHFFFAOYSA-N 1 1 382.395 3.711 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000845734268 902355870 /nfs/dbraw/zinc/35/58/70/902355870.db2.gz GNODYPAGQLIIAV-AWEZNQCLSA-N 1 1 375.450 3.748 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000134868285 903584202 /nfs/dbraw/zinc/58/42/02/903584202.db2.gz CRRFDYTYPHOOLZ-YLJYHZDGSA-N 1 1 396.491 3.741 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)o2)c1 ZINC000134868285 903584257 /nfs/dbraw/zinc/58/42/57/903584257.db2.gz CRRFDYTYPHOOLZ-YLJYHZDGSA-N 1 1 396.491 3.741 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)o2)c1 ZINC000134868285 903584269 /nfs/dbraw/zinc/58/42/69/903584269.db2.gz CRRFDYTYPHOOLZ-YLJYHZDGSA-N 1 1 396.491 3.741 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC001171678735 904920137 /nfs/dbraw/zinc/92/01/37/904920137.db2.gz WDAPDBSRYRCODE-NJDAHSKKSA-N 1 1 395.459 3.918 20 5 GHBDMO O=C(C[NH2+]C1(c2nccs2)CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000175010207 905417903 /nfs/dbraw/zinc/41/79/03/905417903.db2.gz LWAGZLQSCXVJCP-UHFFFAOYSA-N 1 1 380.857 3.702 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cnn(CC)c21 ZINC001172909034 905972102 /nfs/dbraw/zinc/97/21/02/905972102.db2.gz QPBUESMAMAPCHU-WOJBJXKFSA-N 1 1 398.507 3.695 20 5 GHBDMO COc1cc2c(cc1OC)C[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172915510 905986135 /nfs/dbraw/zinc/98/61/35/905986135.db2.gz NPYZKAJVGQUJRU-IBGZPJMESA-N 1 1 382.460 3.918 20 5 GHBDMO O=C(C1CCCCC1)N1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172920970 905990758 /nfs/dbraw/zinc/99/07/58/905990758.db2.gz MVRDUPBYUDZTRJ-NRFANRHFSA-N 1 1 399.535 3.957 20 5 GHBDMO CCOC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921776 905993164 /nfs/dbraw/zinc/99/31/64/905993164.db2.gz SVGRCBJBLWVTFB-GOSISDBHSA-N 1 1 388.489 3.969 20 5 GHBDMO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921776 905993170 /nfs/dbraw/zinc/99/31/70/905993170.db2.gz SVGRCBJBLWVTFB-GOSISDBHSA-N 1 1 388.489 3.969 20 5 GHBDMO CC(=O)N1CCCC[C@]12CCC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172911850 906020520 /nfs/dbraw/zinc/02/05/20/906020520.db2.gz WTQQSZXBBPGFCG-IFMALSPDSA-N 1 1 385.508 3.709 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC(F)(F)[C@@H](F)C3)CC2)c(F)c1 ZINC001173009920 906084782 /nfs/dbraw/zinc/08/47/82/906084782.db2.gz JQZUREVZMZBNLF-AWEZNQCLSA-N 1 1 379.329 3.521 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCC(F)(F)[C@@H](F)C3)CC2)c(F)c1 ZINC001173009920 906084788 /nfs/dbraw/zinc/08/47/88/906084788.db2.gz JQZUREVZMZBNLF-AWEZNQCLSA-N 1 1 379.329 3.521 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)C4(F)F)CC2)c(F)c1 ZINC001173009444 906085151 /nfs/dbraw/zinc/08/51/51/906085151.db2.gz CIGNHZWTNQOXAP-TXEJJXNPSA-N 1 1 387.377 3.819 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@H](F)C(F)(F)CC3)CC2)c(F)c1 ZINC001173010169 906086424 /nfs/dbraw/zinc/08/64/24/906086424.db2.gz NNJBYALWKBOCLY-HNNXBMFYSA-N 1 1 393.356 3.911 20 5 GHBDMO Cc1nc2c(s1)C[N@H+](C1CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC1)CC2 ZINC001173017556 906095328 /nfs/dbraw/zinc/09/53/28/906095328.db2.gz FTVGQENUTXFXOJ-UHFFFAOYSA-N 1 1 394.447 3.665 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CCCC(=O)c2cccnc2)c1F ZINC001173190475 906271949 /nfs/dbraw/zinc/27/19/49/906271949.db2.gz SZTFMTYGEXHQCV-CQSZACIVSA-N 1 1 389.427 3.663 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1F ZINC001173191489 906273941 /nfs/dbraw/zinc/27/39/41/906273941.db2.gz FLYFPLGLGUCWIK-ZBFHGGJFSA-N 1 1 386.423 3.878 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1F ZINC001173191985 906275191 /nfs/dbraw/zinc/27/51/91/906275191.db2.gz GVDZRHZMJPNJJO-ZACQAIPSSA-N 1 1 399.466 3.742 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CCC(=O)c2cccs2)c1F ZINC001173193471 906277837 /nfs/dbraw/zinc/27/78/37/906277837.db2.gz SKGSNYZXATVSJE-GFCCVEGCSA-N 1 1 380.441 3.940 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c(OC)c1 ZINC001173195865 906281870 /nfs/dbraw/zinc/28/18/70/906281870.db2.gz JTCOARJNKBSGBO-ZDUSSCGKSA-N 1 1 392.427 3.823 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CCCN2C(=O)OC(C)(C)C ZINC001173222514 906301099 /nfs/dbraw/zinc/30/10/99/906301099.db2.gz SOPQTSAOPPQMTI-HNNXBMFYSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001173222523 906302044 /nfs/dbraw/zinc/30/20/44/906302044.db2.gz SRPPKQUWHSLSGU-HHXXYDBFSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001173233369 906318467 /nfs/dbraw/zinc/31/84/67/906318467.db2.gz VUZKWLQNGDLDMH-WDYCEAGBSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC001173235344 906322335 /nfs/dbraw/zinc/32/23/35/906322335.db2.gz WHJMOJUQDCVJNH-HNNXBMFYSA-N 1 1 387.867 3.637 20 5 GHBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001174760467 907211151 /nfs/dbraw/zinc/21/11/51/907211151.db2.gz PHUAQGSMNWMWKG-AWEZNQCLSA-N 1 1 397.397 3.728 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001175983334 907851048 /nfs/dbraw/zinc/85/10/48/907851048.db2.gz OWQIZNKWBDIODF-AUSJPIAWSA-N 1 1 375.469 3.845 20 5 GHBDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001176664799 908200953 /nfs/dbraw/zinc/20/09/53/908200953.db2.gz OAMMHLIXJMTRPP-FQEVSTJZSA-N 1 1 385.489 3.643 20 5 GHBDMO CC[C@](C)(O)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000189726036 908369242 /nfs/dbraw/zinc/36/92/42/908369242.db2.gz BHXOHXFVALPDSX-NRFANRHFSA-N 1 1 396.447 3.808 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000189726036 908369248 /nfs/dbraw/zinc/36/92/48/908369248.db2.gz BHXOHXFVALPDSX-NRFANRHFSA-N 1 1 396.447 3.808 20 5 GHBDMO C[C@H](O)CC[N@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000245463733 909660971 /nfs/dbraw/zinc/66/09/71/909660971.db2.gz XMQCXQMCMLQMQX-SCLBCKFNSA-N 1 1 391.855 3.631 20 5 GHBDMO C[C@H](O)CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000245463733 909660979 /nfs/dbraw/zinc/66/09/79/909660979.db2.gz XMQCXQMCMLQMQX-SCLBCKFNSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1C ZINC001179898397 909782554 /nfs/dbraw/zinc/78/25/54/909782554.db2.gz MTXFVISRSPQCNF-MNOVXSKESA-N 1 1 376.320 3.723 20 5 GHBDMO CNc1ccccc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001180353426 910091587 /nfs/dbraw/zinc/09/15/87/910091587.db2.gz GZJIIHKUTFVEOY-UHFFFAOYSA-N 1 1 394.397 3.978 20 5 GHBDMO C[C@@H]([N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C(C)(C)C ZINC000795407360 910225136 /nfs/dbraw/zinc/22/51/36/910225136.db2.gz BJZGZBCCEANVBS-SNVBAGLBSA-N 1 1 384.274 3.637 20 5 GHBDMO COc1cc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(OC)cc1Cl ZINC000271693153 911016454 /nfs/dbraw/zinc/01/64/54/911016454.db2.gz FQEIOIKRQXWUJT-NSHDSACASA-N 1 1 393.827 3.555 20 5 GHBDMO O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000092785959 911804277 /nfs/dbraw/zinc/80/42/77/911804277.db2.gz AQRVPXMQBRJYBZ-CQSZACIVSA-N 1 1 398.394 3.869 20 5 GHBDMO CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775062561 914901214 /nfs/dbraw/zinc/90/12/14/914901214.db2.gz BPSNSDUXMFQLMN-IBGZPJMESA-N 1 1 384.436 3.599 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000293434892 916202222 /nfs/dbraw/zinc/20/22/22/916202222.db2.gz BLWZXJPRJSKQOK-ZDUSSCGKSA-N 1 1 386.292 3.893 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000293434892 916202240 /nfs/dbraw/zinc/20/22/40/916202240.db2.gz BLWZXJPRJSKQOK-ZDUSSCGKSA-N 1 1 386.292 3.893 20 5 GHBDMO Cc1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nc(N2CCCC2)n1 ZINC000293714168 916342997 /nfs/dbraw/zinc/34/29/97/916342997.db2.gz PCFYQPKEGZZNIT-LJQANCHMSA-N 1 1 381.480 3.806 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294191901 916641583 /nfs/dbraw/zinc/64/15/83/916641583.db2.gz BBKFVQXDOALXOB-OAHLLOKOSA-N 1 1 397.353 3.774 20 5 GHBDMO CCCn1ccc(C(=O)n2c3ccc(OCC)cc3c(=[NH2+])c3ccc(N)cc32)n1 ZINC001189834676 916957037 /nfs/dbraw/zinc/95/70/37/916957037.db2.gz VHUOLTXCOOXPTK-UHFFFAOYSA-N 1 1 389.459 3.550 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000421805868 917169388 /nfs/dbraw/zinc/16/93/88/917169388.db2.gz YAUJIOZOCCIOOH-UHFFFAOYSA-N 1 1 397.475 3.593 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295766388 917477015 /nfs/dbraw/zinc/47/70/15/917477015.db2.gz SFTVTLKOJAVEHS-ZDUSSCGKSA-N 1 1 395.887 3.592 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)o1 ZINC001192116014 918421199 /nfs/dbraw/zinc/42/11/99/918421199.db2.gz KSOHRRIBRZCMID-AZUAARDMSA-N 1 1 394.431 3.733 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000114475654 919391573 /nfs/dbraw/zinc/39/15/73/919391573.db2.gz ZELAVRNJXBPUQZ-UHFFFAOYSA-N 1 1 396.919 3.631 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000115443834 919452539 /nfs/dbraw/zinc/45/25/39/919452539.db2.gz QDAWANKQMVKKEO-SFHVURJKSA-N 1 1 396.491 3.621 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117338752 919538439 /nfs/dbraw/zinc/53/84/39/919538439.db2.gz NTYSDMOFLAZSNL-QGZVFWFLSA-N 1 1 397.431 3.739 20 5 GHBDMO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866053 919597987 /nfs/dbraw/zinc/59/79/87/919597987.db2.gz BFDRQJVLHZNEFI-INIZCTEOSA-N 1 1 379.420 3.640 20 5 GHBDMO Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866053 919597993 /nfs/dbraw/zinc/59/79/93/919597993.db2.gz BFDRQJVLHZNEFI-INIZCTEOSA-N 1 1 379.420 3.640 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364762192 919962264 /nfs/dbraw/zinc/96/22/64/919962264.db2.gz NSJNYBBUDSFOQD-UKRRQHHQSA-N 1 1 388.855 3.535 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364762192 919962280 /nfs/dbraw/zinc/96/22/80/919962280.db2.gz NSJNYBBUDSFOQD-UKRRQHHQSA-N 1 1 388.855 3.535 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)/C(C)=C\c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000800567528 920277525 /nfs/dbraw/zinc/27/75/25/920277525.db2.gz MGYWRBGCVNHPKM-OVKKFJMPSA-N 1 1 379.460 3.734 20 5 GHBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000369166334 923173882 /nfs/dbraw/zinc/17/38/82/923173882.db2.gz QVVOFEVPQCUEKM-UHFFFAOYSA-N 1 1 397.460 3.701 20 5 GHBDMO Cc1ccc(C)n1C1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000748539976 923709875 /nfs/dbraw/zinc/70/98/75/923709875.db2.gz IQWFPDMERUTUFT-UHFFFAOYSA-N 1 1 390.871 3.942 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCN(c2cnccn2)CC1 ZINC000370042386 923824102 /nfs/dbraw/zinc/82/41/02/923824102.db2.gz XRKSQKLNMKUVEU-UHFFFAOYSA-N 1 1 393.447 3.746 20 5 GHBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000410053910 925282341 /nfs/dbraw/zinc/28/23/41/925282341.db2.gz OQICALSZXMHVSP-KRWDZBQOSA-N 1 1 387.505 3.859 20 5 GHBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000410049092 925285829 /nfs/dbraw/zinc/28/58/29/925285829.db2.gz MSWVOUPHTDTAAL-NRFANRHFSA-N 1 1 395.503 3.727 20 5 GHBDMO CC[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827798481 926007041 /nfs/dbraw/zinc/00/70/41/926007041.db2.gz OTQGRSSSWGWOPZ-WBVHZDCISA-N 1 1 385.867 3.566 20 5 GHBDMO CC[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827798481 926007049 /nfs/dbraw/zinc/00/70/49/926007049.db2.gz OTQGRSSSWGWOPZ-WBVHZDCISA-N 1 1 385.867 3.566 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000411294544 926280197 /nfs/dbraw/zinc/28/01/97/926280197.db2.gz IFDMOTJZAFAXFP-KDOFPFPSSA-N 1 1 387.436 3.998 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000412034790 927023385 /nfs/dbraw/zinc/02/33/85/927023385.db2.gz TYNWAAFASAXBAR-ONGXBYRLSA-N 1 1 395.459 3.730 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000749419935 927097253 /nfs/dbraw/zinc/09/72/53/927097253.db2.gz HTSRWQKEEZVRBW-GWHIEVBUSA-N 1 1 379.460 3.635 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000749603751 927209641 /nfs/dbraw/zinc/20/96/41/927209641.db2.gz SSWJVUSYTMDGOC-SFHVURJKSA-N 1 1 388.512 3.579 20 5 GHBDMO Cc1nn(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c2ncc([N+](=O)[O-])cc12 ZINC000749952104 927369217 /nfs/dbraw/zinc/36/92/17/927369217.db2.gz SYQBNBFBSHMSAE-KRWDZBQOSA-N 1 1 383.427 3.842 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000374665923 927392951 /nfs/dbraw/zinc/39/29/51/927392951.db2.gz TUKHHQOJOLHVDZ-HNNXBMFYSA-N 1 1 398.463 3.513 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000750032049 927397637 /nfs/dbraw/zinc/39/76/37/927397637.db2.gz FAKPVUMEMMKUHV-IBGZPJMESA-N 1 1 384.432 3.802 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(C[NH+](C)C)CC2)cc1OC ZINC000543843524 928490031 /nfs/dbraw/zinc/49/00/31/928490031.db2.gz TYLIEDGEMCMYPY-INIZCTEOSA-N 1 1 393.528 3.802 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(c4cccc(F)c4)CC3)n2)c1 ZINC000751950469 928503169 /nfs/dbraw/zinc/50/31/69/928503169.db2.gz QETONHUJGUAMQI-UHFFFAOYSA-N 1 1 381.411 3.830 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000752347915 928782133 /nfs/dbraw/zinc/78/21/33/928782133.db2.gz OYHLUOUTUNLFST-LJQANCHMSA-N 1 1 382.416 3.802 20 5 GHBDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000467228777 928854649 /nfs/dbraw/zinc/85/46/49/928854649.db2.gz ZOPLHZCRRRHFGW-JOCHJYFZSA-N 1 1 395.459 3.990 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@@H+]2CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000752784949 929021412 /nfs/dbraw/zinc/02/14/12/929021412.db2.gz CBQOXYYSRPNAMH-SFHVURJKSA-N 1 1 396.447 3.640 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000752784949 929021417 /nfs/dbraw/zinc/02/14/17/929021417.db2.gz CBQOXYYSRPNAMH-SFHVURJKSA-N 1 1 396.447 3.640 20 5 GHBDMO Cc1c(Br)c(N2CC[NH+](C3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000544394700 929128196 /nfs/dbraw/zinc/12/81/96/929128196.db2.gz QJWDCGZOZYJNOC-UHFFFAOYSA-N 1 1 383.290 3.515 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[N@H+]1Cc1ccccc1 ZINC000753293801 929289386 /nfs/dbraw/zinc/28/93/86/929289386.db2.gz QMMIPBPMYQPGIS-DOTOQJQBSA-N 1 1 385.439 3.764 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@H+]1Cc1ccccc1 ZINC000467697999 929313050 /nfs/dbraw/zinc/31/30/50/929313050.db2.gz ODQWLRKRHNWJOB-WMLDXEAASA-N 1 1 379.416 3.734 20 5 GHBDMO COc1cc(C[NH2+]C(C)(C)c2ccc(C)nc2)c([N+](=O)[O-])cc1OC(F)F ZINC000544760075 929546177 /nfs/dbraw/zinc/54/61/77/929546177.db2.gz YUAGDDRBBDJAKB-UHFFFAOYSA-N 1 1 381.379 3.933 20 5 GHBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757109730 929648025 /nfs/dbraw/zinc/64/80/25/929648025.db2.gz PRKJZSUIVAEGNE-CXAGYDPISA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757109730 929648035 /nfs/dbraw/zinc/64/80/35/929648035.db2.gz PRKJZSUIVAEGNE-CXAGYDPISA-N 1 1 381.448 3.859 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000758779360 930164768 /nfs/dbraw/zinc/16/47/68/930164768.db2.gz IMEGFGUXSDFPHM-GDBMZVCRSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1ccc(C[N@@H+](CCO)C/C(C)=C/c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000470169935 930428167 /nfs/dbraw/zinc/42/81/67/930428167.db2.gz LZQDPVKOFDGOQS-LFIBNONCSA-N 1 1 386.448 3.510 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCOc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000780762250 930593513 /nfs/dbraw/zinc/59/35/13/930593513.db2.gz BWPNHAQSVXDABR-IBGZPJMESA-N 1 1 384.411 3.616 20 5 GHBDMO CCc1cc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000470864664 930980320 /nfs/dbraw/zinc/98/03/20/930980320.db2.gz OOOSGNASLUZPGL-KRWDZBQOSA-N 1 1 395.507 3.782 20 5 GHBDMO CN(C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(=O)OC(C)(C)C ZINC000782473074 931234563 /nfs/dbraw/zinc/23/45/63/931234563.db2.gz RUDNVVZZHOWSHX-CYBMUJFWSA-N 1 1 383.876 3.937 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(=O)OC(C)(C)C ZINC000782473074 931234573 /nfs/dbraw/zinc/23/45/73/931234573.db2.gz RUDNVVZZHOWSHX-CYBMUJFWSA-N 1 1 383.876 3.937 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C)c1ccccc1 ZINC000782483883 931237844 /nfs/dbraw/zinc/23/78/44/931237844.db2.gz VKDYECPMODSPAH-HNNXBMFYSA-N 1 1 389.427 3.772 20 5 GHBDMO C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000557458974 931443516 /nfs/dbraw/zinc/44/35/16/931443516.db2.gz GSLPGEWAFSEFSG-OXJNMPFZSA-N 1 1 393.443 3.939 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1Cl ZINC000783653083 931608271 /nfs/dbraw/zinc/60/82/71/931608271.db2.gz WDPAKNVNCOTDMK-AWEZNQCLSA-N 1 1 385.645 3.834 20 5 GHBDMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000784005662 931751052 /nfs/dbraw/zinc/75/10/52/931751052.db2.gz QUGOLBAKFWRIDY-PZJWPPBQSA-N 1 1 378.432 3.988 20 5 GHBDMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000784005662 931751055 /nfs/dbraw/zinc/75/10/55/931751055.db2.gz QUGOLBAKFWRIDY-PZJWPPBQSA-N 1 1 378.432 3.988 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000784007687 931752592 /nfs/dbraw/zinc/75/25/92/931752592.db2.gz KNHMHBOMWLBVJP-YWZLYKJASA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000784007687 931752598 /nfs/dbraw/zinc/75/25/98/931752598.db2.gz KNHMHBOMWLBVJP-YWZLYKJASA-N 1 1 393.447 3.903 20 5 GHBDMO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000784487478 931911747 /nfs/dbraw/zinc/91/17/47/931911747.db2.gz OQKVIOYZWOTZRR-LJQANCHMSA-N 1 1 389.883 3.818 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000784504969 931916326 /nfs/dbraw/zinc/91/63/26/931916326.db2.gz KXZDYCSFIBFISN-KBAYOESNSA-N 1 1 375.469 3.720 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000784512946 931920518 /nfs/dbraw/zinc/92/05/18/931920518.db2.gz WWDLSQAPYJLWCO-USXIJHARSA-N 1 1 375.469 3.720 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000797090007 932178321 /nfs/dbraw/zinc/17/83/21/932178321.db2.gz WQVSJDKHAAWDLF-VDUMAWNISA-N 1 1 377.444 3.751 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000797339077 932253574 /nfs/dbraw/zinc/25/35/74/932253574.db2.gz IOHACFULSHCIBL-HXUWFJFHSA-N 1 1 382.460 3.981 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000797519165 932317858 /nfs/dbraw/zinc/31/78/58/932317858.db2.gz XHKSUBVMURXQIP-RHSMWYFYSA-N 1 1 393.484 3.729 20 5 GHBDMO CCNc1ccc(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000798523186 932686222 /nfs/dbraw/zinc/68/62/22/932686222.db2.gz GLBWSDVYOSHONY-QFIPXVFZSA-N 1 1 396.491 3.669 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798528548 932693361 /nfs/dbraw/zinc/69/33/61/932693361.db2.gz DBUGVDBMZVDMBK-NRFANRHFSA-N 1 1 399.516 3.959 20 5 GHBDMO C[N@H+]1CCN(CCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC000799325553 932950553 /nfs/dbraw/zinc/95/05/53/932950553.db2.gz FRQHLLLHSWYFJJ-UHFFFAOYSA-N 1 1 394.825 3.705 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799359538 932968627 /nfs/dbraw/zinc/96/86/27/932968627.db2.gz WICSNVMLOHXCQU-OAHLLOKOSA-N 1 1 393.484 3.730 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)o2)cc1 ZINC000559959519 932981040 /nfs/dbraw/zinc/98/10/40/932981040.db2.gz WPNQKJMTZXXOKJ-GUYCJALGSA-N 1 1 384.354 3.990 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001116666935 933693556 /nfs/dbraw/zinc/69/35/56/933693556.db2.gz YVAYVUNDSXJSNR-WBVHZDCISA-N 1 1 389.452 3.631 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001116666935 933693564 /nfs/dbraw/zinc/69/35/64/933693564.db2.gz YVAYVUNDSXJSNR-WBVHZDCISA-N 1 1 389.452 3.631 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC001118591140 934204976 /nfs/dbraw/zinc/20/49/76/934204976.db2.gz HNJFZYHNZUVPHF-SJKOYZFVSA-N 1 1 387.871 3.645 20 5 GHBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n1)OC2 ZINC000561932955 934570450 /nfs/dbraw/zinc/57/04/50/934570450.db2.gz CPTOCQMLPPDGNI-FZKQIMNGSA-N 1 1 386.433 3.785 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@]4(CC(F)(F)C4(F)F)C3)n2)cc1 ZINC000931916933 934764518 /nfs/dbraw/zinc/76/45/18/934764518.db2.gz CVIOEJLYXAKZFD-CQSZACIVSA-N 1 1 386.305 3.511 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@]4(CC(F)(F)C4(F)F)C3)n2)cc1 ZINC000931916933 934764524 /nfs/dbraw/zinc/76/45/24/934764524.db2.gz CVIOEJLYXAKZFD-CQSZACIVSA-N 1 1 386.305 3.511 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931930602 934768038 /nfs/dbraw/zinc/76/80/38/934768038.db2.gz WVCCUOOGOMTTQQ-DAESXHAQSA-N 1 1 376.416 3.979 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000828043931 935568530 /nfs/dbraw/zinc/56/85/30/935568530.db2.gz IISGPNQLWWFFBD-OQLLNIDSSA-N 1 1 391.431 3.717 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)c1cccc(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000828807206 935715692 /nfs/dbraw/zinc/71/56/92/935715692.db2.gz KITMLFWIISLTBI-SFHLNBCPSA-N 1 1 388.439 3.573 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000557374308 1016990549 /nfs/dbraw/zinc/99/05/49/1016990549.db2.gz HIGVRZRTJRIGDA-HXUWFJFHSA-N 1 1 381.476 3.508 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001227046202 1032251581 /nfs/dbraw/zinc/25/15/81/1032251581.db2.gz GFKXZHNTRBVUOY-QRWLVFNGSA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001227124577 1032280110 /nfs/dbraw/zinc/28/01/10/1032280110.db2.gz NURXCDXWLMEQSM-HNNXBMFYSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001227124577 1032280119 /nfs/dbraw/zinc/28/01/19/1032280119.db2.gz NURXCDXWLMEQSM-HNNXBMFYSA-N 1 1 390.823 3.688 20 5 GHBDMO CCOC(=O)c1ccc(OC2CCN(c3cc(C)cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC001227301196 1032362273 /nfs/dbraw/zinc/36/22/73/1032362273.db2.gz MHXHGBOWKGQOIL-UHFFFAOYSA-N 1 1 385.420 3.523 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c([N+](=O)[O-])c1 ZINC001227466132 1032430966 /nfs/dbraw/zinc/43/09/66/1032430966.db2.gz LGHMNHNNYAGYAX-IGOJGBNBSA-N 1 1 383.404 3.792 20 5 GHBDMO COc1cc(O[C@@H]2CCC[N@H+](C(C)C)C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001227645184 1032499821 /nfs/dbraw/zinc/49/98/21/1032499821.db2.gz FPLUGRCHTCZPAV-CYBMUJFWSA-N 1 1 399.443 3.618 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000558181587 1017135277 /nfs/dbraw/zinc/13/52/77/1017135277.db2.gz KJDCEWKMPMYSPZ-LJQANCHMSA-N 1 1 378.831 3.814 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000558181587 1017135302 /nfs/dbraw/zinc/13/53/02/1017135302.db2.gz KJDCEWKMPMYSPZ-LJQANCHMSA-N 1 1 378.831 3.814 20 5 GHBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-n2cccn2)c(F)c1 ZINC000559333655 1017428464 /nfs/dbraw/zinc/42/84/64/1017428464.db2.gz QCVVYWAXUMGCKS-ZDUSSCGKSA-N 1 1 398.394 3.637 20 5 GHBDMO C[N@H+](CCCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000561057409 1017784203 /nfs/dbraw/zinc/78/42/03/1017784203.db2.gz ZRKHBSVBZPMXDA-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO C[N@@H+](CCCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000561057409 1017784217 /nfs/dbraw/zinc/78/42/17/1017784217.db2.gz ZRKHBSVBZPMXDA-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000777969364 1017938569 /nfs/dbraw/zinc/93/85/69/1017938569.db2.gz ISKYYQHAPORDCO-CQSZACIVSA-N 1 1 385.395 3.869 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000777969364 1017938572 /nfs/dbraw/zinc/93/85/72/1017938572.db2.gz ISKYYQHAPORDCO-CQSZACIVSA-N 1 1 385.395 3.869 20 5 GHBDMO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000569744256 1019508459 /nfs/dbraw/zinc/50/84/59/1019508459.db2.gz BBMPRYOYARUYQM-CYBMUJFWSA-N 1 1 388.411 3.984 20 5 GHBDMO Cc1nccnc1N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000578928182 1020373168 /nfs/dbraw/zinc/37/31/68/1020373168.db2.gz XOVZOYGKHPADMN-UHFFFAOYSA-N 1 1 395.488 3.744 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCCc3c(F)cccc3Cl)CC2)cn1 ZINC000578952204 1020374034 /nfs/dbraw/zinc/37/40/34/1020374034.db2.gz CXUAEBMXHIVJFA-UHFFFAOYSA-N 1 1 378.835 3.537 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cnc2c1 ZINC001156315166 1032976588 /nfs/dbraw/zinc/97/65/88/1032976588.db2.gz KJDMAQAZRYANTN-YTQUADARSA-N 1 1 389.459 3.861 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000835068019 1021847110 /nfs/dbraw/zinc/84/71/10/1021847110.db2.gz CNOIITWXHXRITL-GOEBONIOSA-N 1 1 393.484 3.586 20 5 GHBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000725753609 1022381486 /nfs/dbraw/zinc/38/14/86/1022381486.db2.gz HPDAKODIYNWIIF-KAMYIIQDSA-N 1 1 393.487 3.775 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000725847590 1022388264 /nfs/dbraw/zinc/38/82/64/1022388264.db2.gz GGDXKLPRKSRNOF-UHFFFAOYSA-N 1 1 383.448 3.519 20 5 GHBDMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)s1 ZINC000754418673 1022693203 /nfs/dbraw/zinc/69/32/03/1022693203.db2.gz LAHDJAXRKXBXDJ-HNNXBMFYSA-N 1 1 380.857 3.693 20 5 GHBDMO C[C@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228759205 1033082268 /nfs/dbraw/zinc/08/22/68/1033082268.db2.gz XNRFNEZZXPQBRR-IFXJQAMLSA-N 1 1 376.840 3.917 20 5 GHBDMO C[C@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228759205 1033082275 /nfs/dbraw/zinc/08/22/75/1033082275.db2.gz XNRFNEZZXPQBRR-IFXJQAMLSA-N 1 1 376.840 3.917 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836784932 1023364866 /nfs/dbraw/zinc/36/48/66/1023364866.db2.gz JXXJPWQIQMWCLG-UHFFFAOYSA-N 1 1 389.839 3.944 20 5 GHBDMO C[NH+](C)CC[C@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001228858013 1033139772 /nfs/dbraw/zinc/13/97/72/1033139772.db2.gz ARPWLLMLIPWFLN-ZDUSSCGKSA-N 1 1 385.342 3.786 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1Cl ZINC000756952975 1023883029 /nfs/dbraw/zinc/88/30/29/1023883029.db2.gz GPGVSEQUCHWZKE-MRXNPFEDSA-N 1 1 375.812 3.633 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1Cl ZINC000756952975 1023883041 /nfs/dbraw/zinc/88/30/41/1023883041.db2.gz GPGVSEQUCHWZKE-MRXNPFEDSA-N 1 1 375.812 3.633 20 5 GHBDMO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001228935571 1033186925 /nfs/dbraw/zinc/18/69/25/1033186925.db2.gz FBFPNHDFGQIVLX-OAHLLOKOSA-N 1 1 396.365 3.893 20 5 GHBDMO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001228935571 1033186930 /nfs/dbraw/zinc/18/69/30/1033186930.db2.gz FBFPNHDFGQIVLX-OAHLLOKOSA-N 1 1 396.365 3.893 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000830958708 1024274560 /nfs/dbraw/zinc/27/45/60/1024274560.db2.gz WVODEEZHRHYWLN-AXYPVASZSA-N 1 1 395.887 3.591 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000830958708 1024274567 /nfs/dbraw/zinc/27/45/67/1024274567.db2.gz WVODEEZHRHYWLN-AXYPVASZSA-N 1 1 395.887 3.591 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000839092304 1025589935 /nfs/dbraw/zinc/58/99/35/1025589935.db2.gz QYNXKGCPOUKVPJ-GOEBONIOSA-N 1 1 393.484 3.586 20 5 GHBDMO COc1ccc(C[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1[N+](=O)[O-] ZINC000839153701 1025652745 /nfs/dbraw/zinc/65/27/45/1025652745.db2.gz GWGRUCGVVMXIIU-HXUWFJFHSA-N 1 1 392.402 3.827 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839153370 1025654363 /nfs/dbraw/zinc/65/43/63/1025654363.db2.gz FNFMSWNFQJYTKQ-IBGZPJMESA-N 1 1 380.366 3.958 20 5 GHBDMO O=[N+]([O-])c1ccc(NCC[C@@H]2CC[NH2+]CC2(F)F)nc1-c1ccc(F)cc1 ZINC001162814178 1025927439 /nfs/dbraw/zinc/92/74/39/1025927439.db2.gz KLLNHOCMTQXWFK-ZDUSSCGKSA-N 1 1 380.370 3.843 20 5 GHBDMO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839529249 1026014523 /nfs/dbraw/zinc/01/45/23/1026014523.db2.gz DUHNRYXUHYBQEH-UHFFFAOYSA-N 1 1 382.873 3.596 20 5 GHBDMO CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839529249 1026014542 /nfs/dbraw/zinc/01/45/42/1026014542.db2.gz DUHNRYXUHYBQEH-UHFFFAOYSA-N 1 1 382.873 3.596 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000839654009 1026174360 /nfs/dbraw/zinc/17/43/60/1026174360.db2.gz CSHLDTLILGCABL-IBGZPJMESA-N 1 1 390.867 3.868 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cc(OC)c([N+](=O)[O-])cc2Cl)cc1 ZINC001163753422 1026303536 /nfs/dbraw/zinc/30/35/36/1026303536.db2.gz APFCGSLHNKDFCA-CQSZACIVSA-N 1 1 391.855 3.952 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2cc(OC)c([N+](=O)[O-])cc2Cl)cc1 ZINC001163753422 1026303542 /nfs/dbraw/zinc/30/35/42/1026303542.db2.gz APFCGSLHNKDFCA-CQSZACIVSA-N 1 1 391.855 3.952 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001141706405 1026303749 /nfs/dbraw/zinc/30/37/49/1026303749.db2.gz FWAAEASEBZQVIA-RTWAWAEBSA-N 1 1 381.476 3.855 20 5 GHBDMO c1cnc(N2CCO[C@H]3C[N@H+](Cc4c5ccccc5cc5ccccc54)C[C@H]32)nc1 ZINC001141723379 1026342150 /nfs/dbraw/zinc/34/21/50/1026342150.db2.gz VSXNLLZRGNWWRR-RPWUZVMVSA-N 1 1 396.494 3.873 20 5 GHBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)n1 ZINC001165183756 1026652847 /nfs/dbraw/zinc/65/28/47/1026652847.db2.gz SEEFRVDOOSGBSY-XJKSGUPXSA-N 1 1 389.887 3.693 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)ncc1[N+](=O)[O-] ZINC001166115168 1026921851 /nfs/dbraw/zinc/92/18/51/1026921851.db2.gz AJDGHZUPTGZOGZ-PALWXXHSSA-N 1 1 386.496 3.554 20 5 GHBDMO Cc1cc([N+](=O)[O-])cnc1N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001166569077 1027029385 /nfs/dbraw/zinc/02/93/85/1027029385.db2.gz LRQAKTWFKHWZIA-UHFFFAOYSA-N 1 1 383.839 3.826 20 5 GHBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC001209889651 1027264260 /nfs/dbraw/zinc/26/42/60/1027264260.db2.gz VHRQFWYHMVWONS-LBPRGKRZSA-N 1 1 388.390 3.870 20 5 GHBDMO C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC001461325530 1069500901 /nfs/dbraw/zinc/50/09/01/1069500901.db2.gz WLWSFFRNTYIQBO-RHSMWYFYSA-N 1 1 391.418 3.949 20 5 GHBDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CN1Cc1ccccc1 ZINC001461325530 1069500911 /nfs/dbraw/zinc/50/09/11/1069500911.db2.gz WLWSFFRNTYIQBO-RHSMWYFYSA-N 1 1 391.418 3.949 20 5 GHBDMO CC(=O)N(C)c1ccc(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])cc1 ZINC001461635264 1069650874 /nfs/dbraw/zinc/65/08/74/1069650874.db2.gz AVCSCLFIBOPILW-UHFFFAOYSA-N 1 1 392.253 3.630 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223485864 1030599155 /nfs/dbraw/zinc/59/91/55/1030599155.db2.gz HPROFWFRLDASLJ-FOIQADDNSA-N 1 1 385.420 3.930 20 5 GHBDMO COC(=O)c1cccc(CO[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001223662311 1030693057 /nfs/dbraw/zinc/69/30/57/1030693057.db2.gz GHJUDEUFYNLJDA-GOSISDBHSA-N 1 1 384.432 3.563 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001151210405 1030807796 /nfs/dbraw/zinc/80/77/96/1030807796.db2.gz KDIBYPMJMIPIJL-ZBFHGGJFSA-N 1 1 387.867 3.746 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4CCC5(C[NH2+]C5)C4)ccc3c21 ZINC001218233794 1030842802 /nfs/dbraw/zinc/84/28/02/1030842802.db2.gz AEPYYOVAYVSRCV-CQSZACIVSA-N 1 1 377.396 3.919 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224102128 1030883899 /nfs/dbraw/zinc/88/38/99/1030883899.db2.gz WPFCUKPEUOLQMW-RHSMWYFYSA-N 1 1 386.408 3.640 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cccn2ccnc12 ZINC001151475422 1030919073 /nfs/dbraw/zinc/91/90/73/1030919073.db2.gz BKGOUCKWCRYGNM-UHFFFAOYSA-N 1 1 397.438 3.591 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001219005265 1031207827 /nfs/dbraw/zinc/20/78/27/1031207827.db2.gz ITTNMWYKZWMDKD-LJQANCHMSA-N 1 1 380.492 3.659 20 5 GHBDMO CCOc1cc(NC(=O)NCc2ccc(C)[nH+]c2N2CCCC2)ccc1[N+](=O)[O-] ZINC001219318281 1031355209 /nfs/dbraw/zinc/35/52/09/1031355209.db2.gz RPIYTQFSNGBHIY-UHFFFAOYSA-N 1 1 399.451 3.619 20 5 GHBDMO CCOc1cc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001219318596 1031356125 /nfs/dbraw/zinc/35/61/25/1031356125.db2.gz VDKLHKSLCMGTHS-KRWDZBQOSA-N 1 1 398.463 3.637 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001226441720 1031961566 /nfs/dbraw/zinc/96/15/66/1031961566.db2.gz UFCMMBMHMZDWET-NBHGPNQESA-N 1 1 390.443 3.827 20 5 GHBDMO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229233003 1033357149 /nfs/dbraw/zinc/35/71/49/1033357149.db2.gz PMVFZHLUUWHTDV-ITGUQSILSA-N 1 1 383.242 3.564 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001205641482 1033507008 /nfs/dbraw/zinc/50/70/08/1033507008.db2.gz JMJNUIMURPQVCN-INIZCTEOSA-N 1 1 378.448 3.900 20 5 GHBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001205662361 1033517752 /nfs/dbraw/zinc/51/77/52/1033517752.db2.gz HJPMNWZRKDFCKJ-AWEZNQCLSA-N 1 1 380.876 3.943 20 5 GHBDMO COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC001207393200 1034338949 /nfs/dbraw/zinc/33/89/49/1034338949.db2.gz ORJCMDRXNSCHJQ-INIZCTEOSA-N 1 1 375.812 3.540 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(O[C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)c21 ZINC001231056023 1034368141 /nfs/dbraw/zinc/36/81/41/1034368141.db2.gz OUDRVRNHJGIXOJ-HNNXBMFYSA-N 1 1 384.823 3.845 20 5 GHBDMO CCCC(=O)Nc1c(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001231358237 1034535646 /nfs/dbraw/zinc/53/56/46/1034535646.db2.gz CKSDLSGGHQECAI-KRWDZBQOSA-N 1 1 383.448 3.987 20 5 GHBDMO C[N@@H+](CCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)Cc1ccccc1 ZINC001207779380 1034572203 /nfs/dbraw/zinc/57/22/03/1034572203.db2.gz CVPGERDNUQHQQW-UHFFFAOYSA-N 1 1 393.447 3.787 20 5 GHBDMO c1cncc(C[NH+]2C[C@H]3CN(Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)c1 ZINC001232219789 1035168627 /nfs/dbraw/zinc/16/86/27/1035168627.db2.gz FAWCSBCARMLVKF-VXKWHMMOSA-N 1 1 395.510 3.742 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219854 1035169210 /nfs/dbraw/zinc/16/92/10/1035169210.db2.gz HNIIQZBBWKGLTN-SFHVURJKSA-N 1 1 378.476 3.882 20 5 GHBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3nc(Cl)c(Cl)cc3[N+](=O)[O-])C2)c1 ZINC001161187955 1035171456 /nfs/dbraw/zinc/17/14/56/1035171456.db2.gz MNDWKRXELLJMIQ-LBPRGKRZSA-N 1 1 397.262 3.992 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(OC(F)(F)F)c2)no1 ZINC001248208849 1035639336 /nfs/dbraw/zinc/63/93/36/1035639336.db2.gz MBDIITOIDHVZAF-CQSZACIVSA-N 1 1 394.309 3.786 20 5 GHBDMO CCn1nnc2c1[C@H](c1nc(-c3cc4ccccc4c4ccccc34)no1)C[NH2+]C2 ZINC001247136201 1037939735 /nfs/dbraw/zinc/93/97/35/1037939735.db2.gz PKABRUZOJORXNQ-LJQANCHMSA-N 1 1 396.454 3.890 20 5 GHBDMO CCOc1ccc(-c2noc([C@@H]([NH3+])Cc3ccccc3[N+](=O)[O-])n2)cc1Cl ZINC001247665639 1038301185 /nfs/dbraw/zinc/30/11/85/1038301185.db2.gz HSZJYMGMTZPPGU-AWEZNQCLSA-N 1 1 388.811 3.939 20 5 GHBDMO [NH3+][C@@H](Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247682320 1038319102 /nfs/dbraw/zinc/31/91/02/1038319102.db2.gz SQDCHASYFCQLBY-NSHDSACASA-N 1 1 398.181 3.728 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001252256774 1038915505 /nfs/dbraw/zinc/91/55/05/1038915505.db2.gz SNDVZTZHBRGPIE-SFHVURJKSA-N 1 1 394.475 3.532 20 5 GHBDMO O=[N+]([O-])c1cccc2ccc(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)nc21 ZINC001233837197 1039655976 /nfs/dbraw/zinc/65/59/76/1039655976.db2.gz XHSUVKJAFCZIEB-IBGZPJMESA-N 1 1 393.443 3.813 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001233985181 1039742390 /nfs/dbraw/zinc/74/23/90/1039742390.db2.gz VOEPWQKHGFNQKT-PWRODBHTSA-N 1 1 396.487 3.804 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1[N+](=O)[O-] ZINC001234056040 1039789549 /nfs/dbraw/zinc/78/95/49/1039789549.db2.gz BNNGHTAPVBSFAC-NBHGPNQESA-N 1 1 396.443 3.671 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](OCc4ccccc4)C3)CC2)cc1 ZINC001254478982 1040267279 /nfs/dbraw/zinc/26/72/79/1040267279.db2.gz NGQPMXIWNNNGRJ-QFIPXVFZSA-N 1 1 381.476 3.855 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001254560256 1040331865 /nfs/dbraw/zinc/33/18/65/1040331865.db2.gz QQMMYCBQHFALNS-HNNXBMFYSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001254560256 1040331875 /nfs/dbraw/zinc/33/18/75/1040331875.db2.gz QQMMYCBQHFALNS-HNNXBMFYSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001254570926 1040347894 /nfs/dbraw/zinc/34/78/94/1040347894.db2.gz QRHCXVYIOSWRMD-MGPUTAFESA-N 1 1 377.485 3.763 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(c3cccc(C(F)(F)F)c3)COC1)C2 ZINC001254575146 1040351074 /nfs/dbraw/zinc/35/10/74/1040351074.db2.gz PBKFGKBYISFAQM-INIZCTEOSA-N 1 1 378.350 3.596 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254589184 1040361992 /nfs/dbraw/zinc/36/19/92/1040361992.db2.gz NIEOGXOMZULKPT-XMSQKQJNSA-N 1 1 399.454 3.723 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594575 1040367109 /nfs/dbraw/zinc/36/71/09/1040367109.db2.gz RRQMRPAYBATTGS-RXVVDRJESA-N 1 1 387.480 3.537 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCN3Cc3cccc(F)c3)C1)C2 ZINC001254595777 1040369187 /nfs/dbraw/zinc/36/91/87/1040369187.db2.gz MLNOSZASFRVPRN-DHIUTWEWSA-N 1 1 395.478 3.942 20 5 GHBDMO CC[C@H]1[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001254596598 1040369733 /nfs/dbraw/zinc/36/97/33/1040369733.db2.gz PMTMGOQBVVLJCM-XPNTWCBSSA-N 1 1 397.519 3.708 20 5 GHBDMO CN1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605678 1040376671 /nfs/dbraw/zinc/37/66/71/1040376671.db2.gz CFKIUIZRYSSBRK-QFIPXVFZSA-N 1 1 383.467 3.798 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1-c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255487568 1041085711 /nfs/dbraw/zinc/08/57/11/1041085711.db2.gz PSRDHPUJQJBFLM-CQSZACIVSA-N 1 1 395.375 3.543 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@@H](c4ccccn4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099764 1041527592 /nfs/dbraw/zinc/52/75/92/1041527592.db2.gz WINGDLVMSWZDPD-QGZVFWFLSA-N 1 1 396.491 3.847 20 5 GHBDMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC001462578503 1070385985 /nfs/dbraw/zinc/38/59/85/1070385985.db2.gz KMESDUIHCZJNKV-NSHDSACASA-N 1 1 393.237 3.995 20 5 GHBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001293328512 1044117098 /nfs/dbraw/zinc/11/70/98/1044117098.db2.gz PICAOBYOSHAKLS-IBGZPJMESA-N 1 1 396.491 3.811 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC001297647221 1045596686 /nfs/dbraw/zinc/59/66/86/1045596686.db2.gz RWNGYLROZLINDZ-GOSISDBHSA-N 1 1 397.406 3.896 20 5 GHBDMO O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccn(-c2cc[nH+]cc2)n1 ZINC001261238770 1045936085 /nfs/dbraw/zinc/93/60/85/1045936085.db2.gz PZCCBQAFTFPVRZ-UHFFFAOYSA-N 1 1 392.293 3.551 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001261260762 1045945656 /nfs/dbraw/zinc/94/56/56/1045945656.db2.gz XMUXKEGDUYCPTP-WMZOPIPTSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001261260762 1045945663 /nfs/dbraw/zinc/94/56/63/1045945663.db2.gz XMUXKEGDUYCPTP-WMZOPIPTSA-N 1 1 391.830 3.871 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001299863154 1046070870 /nfs/dbraw/zinc/07/08/70/1046070870.db2.gz ZJHQXSPCRTZLBE-GOSISDBHSA-N 1 1 394.475 3.877 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001262356261 1046246581 /nfs/dbraw/zinc/24/65/81/1046246581.db2.gz WNSSJWXGWJYFMZ-FXAWDEMLSA-N 1 1 386.448 3.909 20 5 GHBDMO C[N@@H+](CCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)Cc1ccccc1 ZINC001264263854 1047286836 /nfs/dbraw/zinc/28/68/36/1047286836.db2.gz MSBVFIOHYJVZJK-UHFFFAOYSA-N 1 1 381.476 3.655 20 5 GHBDMO Cc1c(Br)c(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001306953903 1048977090 /nfs/dbraw/zinc/97/70/90/1048977090.db2.gz RCUMMYBHIVECID-LLVKDONJSA-N 1 1 385.306 3.983 20 5 GHBDMO CCC[NH+](CCC)c1ccc(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])cc1 ZINC001307156602 1049109553 /nfs/dbraw/zinc/10/95/53/1049109553.db2.gz GGQXKMHORXKANA-UHFFFAOYSA-N 1 1 392.481 3.612 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c1C ZINC001288601979 1049157071 /nfs/dbraw/zinc/15/70/71/1049157071.db2.gz ZEOJOJZIGGDFLO-XXBNENTESA-N 1 1 393.487 3.806 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001307459697 1049296006 /nfs/dbraw/zinc/29/60/06/1049296006.db2.gz ZRAKKKWWZJQVAM-FQEVSTJZSA-N 1 1 396.535 3.714 20 5 GHBDMO CC(C)[C@H](CO)[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1 ZINC001307507689 1049349382 /nfs/dbraw/zinc/34/93/82/1049349382.db2.gz MZJWHSDNMMDGET-IBGZPJMESA-N 1 1 396.447 3.664 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001307514064 1049356470 /nfs/dbraw/zinc/35/64/70/1049356470.db2.gz PODNJLSCOBBLEG-CQSZACIVSA-N 1 1 399.278 3.950 20 5 GHBDMO C[N@@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001307655787 1049482493 /nfs/dbraw/zinc/48/24/93/1049482493.db2.gz MIOSRXMAQVNFPT-GOSISDBHSA-N 1 1 390.281 3.846 20 5 GHBDMO C[N@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001307655787 1049482500 /nfs/dbraw/zinc/48/25/00/1049482500.db2.gz MIOSRXMAQVNFPT-GOSISDBHSA-N 1 1 390.281 3.846 20 5 GHBDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001307822717 1049617385 /nfs/dbraw/zinc/61/73/85/1049617385.db2.gz YDFGDCDSGOHHBZ-CQSZACIVSA-N 1 1 393.846 3.977 20 5 GHBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001307849762 1049632772 /nfs/dbraw/zinc/63/27/72/1049632772.db2.gz JFYZQZLSLRHNKR-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001307849762 1049632780 /nfs/dbraw/zinc/63/27/80/1049632780.db2.gz JFYZQZLSLRHNKR-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC001290012517 1049708711 /nfs/dbraw/zinc/70/87/11/1049708711.db2.gz AJGGIVCBEXAJCV-QGZVFWFLSA-N 1 1 375.856 3.898 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001308076567 1049822796 /nfs/dbraw/zinc/82/27/96/1049822796.db2.gz QUQIJYFNEDBIBC-CYBMUJFWSA-N 1 1 377.242 3.527 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001308083317 1049828427 /nfs/dbraw/zinc/82/84/27/1049828427.db2.gz FKFCOEBDXXOJKU-KRWDZBQOSA-N 1 1 393.484 3.695 20 5 GHBDMO CN1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCC1=O ZINC001329531531 1050830751 /nfs/dbraw/zinc/83/07/51/1050830751.db2.gz USJIGIUCKLVYLV-ZDUSSCGKSA-N 1 1 377.828 3.561 20 5 GHBDMO CCOc1cc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001310944286 1051722292 /nfs/dbraw/zinc/72/22/92/1051722292.db2.gz AUYLEDMJLNCBHU-HNNXBMFYSA-N 1 1 378.473 3.770 20 5 GHBDMO CCOc1cc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001310945760 1051723651 /nfs/dbraw/zinc/72/36/51/1051723651.db2.gz XUKOUVLZZKUBKR-QAPCUYQASA-N 1 1 398.463 3.636 20 5 GHBDMO CCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC001318868636 1054925085 /nfs/dbraw/zinc/92/50/85/1054925085.db2.gz BXQQFYXSNSFSQF-UHFFFAOYSA-N 1 1 381.476 3.814 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001319073325 1055021797 /nfs/dbraw/zinc/02/17/97/1055021797.db2.gz VBLSMZHVJXWRIX-APWZRJJASA-N 1 1 382.464 3.530 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001319073325 1055021810 /nfs/dbraw/zinc/02/18/10/1055021810.db2.gz VBLSMZHVJXWRIX-APWZRJJASA-N 1 1 382.464 3.530 20 5 GHBDMO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C3CCCC3)CC2)c(Br)c1 ZINC001320712152 1055936871 /nfs/dbraw/zinc/93/68/71/1055936871.db2.gz PQWWUALKGRIEGL-UHFFFAOYSA-N 1 1 382.302 3.808 20 5 GHBDMO COC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001324356862 1057119498 /nfs/dbraw/zinc/11/94/98/1057119498.db2.gz AXGOFFBMZGBCMD-WFASDCNBSA-N 1 1 380.828 3.744 20 5 GHBDMO COC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001324356862 1057119501 /nfs/dbraw/zinc/11/95/01/1057119501.db2.gz AXGOFFBMZGBCMD-WFASDCNBSA-N 1 1 380.828 3.744 20 5 GHBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+]1Cc1ccccc1 ZINC001447498890 1059972414 /nfs/dbraw/zinc/97/24/14/1059972414.db2.gz NAGAMTMPXLCIGN-IBGZPJMESA-N 1 1 381.476 3.948 20 5 GHBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[N@H+]1Cc1ccccc1 ZINC001447498890 1059972417 /nfs/dbraw/zinc/97/24/17/1059972417.db2.gz NAGAMTMPXLCIGN-IBGZPJMESA-N 1 1 381.476 3.948 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+]1Cc1ccccc1 ZINC001447498892 1059973105 /nfs/dbraw/zinc/97/31/05/1059973105.db2.gz NAGAMTMPXLCIGN-LJQANCHMSA-N 1 1 381.476 3.948 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[N@H+]1Cc1ccccc1 ZINC001447498892 1059973107 /nfs/dbraw/zinc/97/31/07/1059973107.db2.gz NAGAMTMPXLCIGN-LJQANCHMSA-N 1 1 381.476 3.948 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001341132949 1060436159 /nfs/dbraw/zinc/43/61/59/1060436159.db2.gz KQNYBGHXJMUEIJ-IAGOWNOFSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001341132949 1060436170 /nfs/dbraw/zinc/43/61/70/1060436170.db2.gz KQNYBGHXJMUEIJ-IAGOWNOFSA-N 1 1 377.803 3.563 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001361189129 1061702857 /nfs/dbraw/zinc/70/28/57/1061702857.db2.gz VTNZHIYPCADFDE-IBGZPJMESA-N 1 1 383.448 3.513 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001454409358 1061768475 /nfs/dbraw/zinc/76/84/75/1061768475.db2.gz VJIDXFTZLLZHPD-DNVCBOLYSA-N 1 1 392.459 3.717 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC001454497594 1061806475 /nfs/dbraw/zinc/80/64/75/1061806475.db2.gz MCGMKOJAUHAGMB-CYBMUJFWSA-N 1 1 391.830 3.906 20 5 GHBDMO CC[NH+](CC)[C@H](C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1)c1ccccc1 ZINC001435860447 1062967031 /nfs/dbraw/zinc/96/70/31/1062967031.db2.gz GCRCRRJYZRNIMF-FQEVSTJZSA-N 1 1 385.464 3.787 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001458009170 1063503166 /nfs/dbraw/zinc/50/31/66/1063503166.db2.gz WTIZDHQJDPQPPE-IAGOWNOFSA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001458009170 1063503185 /nfs/dbraw/zinc/50/31/85/1063503185.db2.gz WTIZDHQJDPQPPE-IAGOWNOFSA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001458009188 1063504442 /nfs/dbraw/zinc/50/44/42/1063504442.db2.gz WTIZDHQJDPQPPE-SJORKVTESA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001458009188 1063504457 /nfs/dbraw/zinc/50/44/57/1063504457.db2.gz WTIZDHQJDPQPPE-SJORKVTESA-N 1 1 381.476 3.947 20 5 GHBDMO CCCOc1cc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC001349084815 1063534449 /nfs/dbraw/zinc/53/44/49/1063534449.db2.gz KEUFJZCRLFLJKT-GJZGRUSLSA-N 1 1 393.484 3.841 20 5 GHBDMO CCOc1ccc(C[NH+]2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)cc1 ZINC001458083986 1063553636 /nfs/dbraw/zinc/55/36/36/1063553636.db2.gz ZEEXQXDZPOPKDU-UHFFFAOYSA-N 1 1 396.491 3.590 20 5 GHBDMO Cn1cc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)n1 ZINC001458113203 1063575425 /nfs/dbraw/zinc/57/54/25/1063575425.db2.gz KUMBVGWNRMLGNV-MRXNPFEDSA-N 1 1 383.477 3.601 20 5 GHBDMO Cn1cc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)n1 ZINC001458113203 1063575444 /nfs/dbraw/zinc/57/54/44/1063575444.db2.gz KUMBVGWNRMLGNV-MRXNPFEDSA-N 1 1 383.477 3.601 20 5 GHBDMO CC(C)N(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001437030137 1063744830 /nfs/dbraw/zinc/74/48/30/1063744830.db2.gz NUYAWNFQIQPQKN-FQEVSTJZSA-N 1 1 399.466 3.788 20 5 GHBDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC001458637200 1063910595 /nfs/dbraw/zinc/91/05/95/1063910595.db2.gz DTYPJRIPMROHHW-QGZVFWFLSA-N 1 1 383.427 3.655 20 5 GHBDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001437725402 1063922317 /nfs/dbraw/zinc/92/23/17/1063922317.db2.gz HBOZKIXZEBBABL-OAQYLSRUSA-N 1 1 381.476 3.886 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001438561836 1064069428 /nfs/dbraw/zinc/06/94/28/1064069428.db2.gz BWIXNPFCLOYNOI-QGZVFWFLSA-N 1 1 385.439 3.827 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(NC[C@H]3CCC[N@@H+](CC4CC4)C3)c2c1 ZINC001350515294 1064111202 /nfs/dbraw/zinc/11/12/02/1064111202.db2.gz PADKLHZQRAJKDY-CYBMUJFWSA-N 1 1 375.860 3.725 20 5 GHBDMO C[C@H](Cc1ccsc1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001459621655 1064146895 /nfs/dbraw/zinc/14/68/95/1064146895.db2.gz KSAKKZUFUMHNRN-CYBMUJFWSA-N 1 1 375.450 3.517 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001438981390 1064152622 /nfs/dbraw/zinc/15/26/22/1064152622.db2.gz IKAXXDIEPOWSLR-IBGZPJMESA-N 1 1 397.475 3.730 20 5 GHBDMO O=[N+]([O-])c1cccc(OCCN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001459649428 1064154910 /nfs/dbraw/zinc/15/49/10/1064154910.db2.gz BDQNZCCGNAXZFY-OFNKIYASSA-N 1 1 395.503 3.960 20 5 GHBDMO CN(C(=O)C[NH+]1CCC(Cc2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001459661271 1064157379 /nfs/dbraw/zinc/15/73/79/1064157379.db2.gz YRZUDVGWPXMUCI-UHFFFAOYSA-N 1 1 385.439 3.651 20 5 GHBDMO COc1ccc2c(c1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C1CCCCC1)C2 ZINC001459664330 1064158875 /nfs/dbraw/zinc/15/88/75/1064158875.db2.gz LWOJNSABHPUFCL-FQEVSTJZSA-N 1 1 384.480 3.807 20 5 GHBDMO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001459915281 1064269156 /nfs/dbraw/zinc/26/91/56/1064269156.db2.gz DYZMQGZKBVMFFG-IEBWSBKVSA-N 1 1 396.491 3.518 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)o1 ZINC001460035929 1064364429 /nfs/dbraw/zinc/36/44/29/1064364429.db2.gz BGGYKAMKVFXJEO-KYJSFNMBSA-N 1 1 386.452 3.550 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC001473544554 1067564820 /nfs/dbraw/zinc/56/48/20/1067564820.db2.gz CPOIQROMONJSRI-SJLPKXTDSA-N 1 1 393.528 3.943 20 5 GHBDMO CC(C)c1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC001359812465 1068201141 /nfs/dbraw/zinc/20/11/41/1068201141.db2.gz GPLNVSBRKMDFQI-AWEZNQCLSA-N 1 1 387.505 3.956 20 5 GHBDMO CC(C)c1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC001359812465 1068201145 /nfs/dbraw/zinc/20/11/45/1068201145.db2.gz GPLNVSBRKMDFQI-AWEZNQCLSA-N 1 1 387.505 3.956 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001470249344 1068646015 /nfs/dbraw/zinc/64/60/15/1068646015.db2.gz KENAAFAPGAXZJD-AWEZNQCLSA-N 1 1 379.888 3.704 20 5 GHBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2Cc2cccc(Br)c2)c1 ZINC001460288395 1068908407 /nfs/dbraw/zinc/90/84/07/1068908407.db2.gz YWMARNSDDWQRRL-MRXNPFEDSA-N 1 1 393.285 3.651 20 5 GHBDMO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001460299087 1068913338 /nfs/dbraw/zinc/91/33/38/1068913338.db2.gz RHKIZIPENAERAG-YJBOKZPZSA-N 1 1 380.510 3.517 20 5 GHBDMO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001460442033 1068966307 /nfs/dbraw/zinc/96/63/07/1068966307.db2.gz IHBSFBSVJQGTBL-UHFFFAOYSA-N 1 1 391.390 3.960 20 5 GHBDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001460442033 1068966308 /nfs/dbraw/zinc/96/63/08/1068966308.db2.gz IHBSFBSVJQGTBL-UHFFFAOYSA-N 1 1 391.390 3.960 20 5 GHBDMO COC[C@@H](C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC001460578053 1069005751 /nfs/dbraw/zinc/00/57/51/1069005751.db2.gz PEHGNRZDVULBQE-IERDGZPVSA-N 1 1 397.475 3.948 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@]2(C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001460682250 1069083710 /nfs/dbraw/zinc/08/37/10/1069083710.db2.gz BYKNUIAVMXQMMV-HXUWFJFHSA-N 1 1 375.469 3.977 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@]2(C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001460682250 1069083713 /nfs/dbraw/zinc/08/37/13/1069083713.db2.gz BYKNUIAVMXQMMV-HXUWFJFHSA-N 1 1 375.469 3.977 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC001460928426 1069279818 /nfs/dbraw/zinc/27/98/18/1069279818.db2.gz IJWDXNKCZQKDDD-LLVKDONJSA-N 1 1 382.283 3.878 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC001460928426 1069279827 /nfs/dbraw/zinc/27/98/27/1069279827.db2.gz IJWDXNKCZQKDDD-LLVKDONJSA-N 1 1 382.283 3.878 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001472700132 1073625395 /nfs/dbraw/zinc/62/53/95/1073625395.db2.gz KFUCPZUQXSXJHB-LBPRGKRZSA-N 1 1 393.285 3.684 20 5 GHBDMO O=[N+]([O-])c1cc2c(nc1NC[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCCC2 ZINC001472756167 1073651621 /nfs/dbraw/zinc/65/16/21/1073651621.db2.gz AVSNFVNYTKQHCN-IBGZPJMESA-N 1 1 396.491 3.572 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC001472767452 1073657260 /nfs/dbraw/zinc/65/72/60/1073657260.db2.gz LDOINVYYFHRWKC-KRWDZBQOSA-N 1 1 379.464 3.955 20 5 GHBDMO C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001479212937 1079155660 /nfs/dbraw/zinc/15/56/60/1079155660.db2.gz NZWTZOQNPOTKJR-FGTMMUONSA-N 1 1 396.491 3.960 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC001473290030 1073908877 /nfs/dbraw/zinc/90/88/77/1073908877.db2.gz SZAUFNNQKJNENU-JYJNAYRXSA-N 1 1 379.501 3.553 20 5 GHBDMO CC(C)(C)SCCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001473365076 1073936652 /nfs/dbraw/zinc/93/66/52/1073936652.db2.gz YQZDEYHMNTXRBH-UHFFFAOYSA-N 1 1 391.541 3.905 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2cccc(Br)c2)c(Cl)c1 ZINC001473376721 1073939656 /nfs/dbraw/zinc/93/96/56/1073939656.db2.gz HSGJVGSEDVFSAC-OAHLLOKOSA-N 1 1 385.645 3.834 20 5 GHBDMO Cc1c(C[NH+]2CCN(c3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] ZINC001473461804 1073976723 /nfs/dbraw/zinc/97/67/23/1073976723.db2.gz CQOHQMPPQNVCQS-UHFFFAOYSA-N 1 1 390.281 3.988 20 5 GHBDMO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001473493415 1073987947 /nfs/dbraw/zinc/98/79/47/1073987947.db2.gz BLFFAYSZUVYARU-HNNXBMFYSA-N 1 1 375.856 3.838 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001473612649 1074048627 /nfs/dbraw/zinc/04/86/27/1074048627.db2.gz YXQTWBRVOWFFHY-HNNXBMFYSA-N 1 1 383.448 3.594 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001473612649 1074048636 /nfs/dbraw/zinc/04/86/36/1074048636.db2.gz YXQTWBRVOWFFHY-HNNXBMFYSA-N 1 1 383.448 3.594 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C1CC1 ZINC001473780699 1074139392 /nfs/dbraw/zinc/13/93/92/1074139392.db2.gz LPUPFUMAPJIBAX-LSDHHAIUSA-N 1 1 387.436 3.536 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1c1ccc(F)cc1 ZINC001474182052 1074285467 /nfs/dbraw/zinc/28/54/67/1074285467.db2.gz XWMKXKFBZUBKCO-LJQANCHMSA-N 1 1 395.390 3.889 20 5 GHBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001476324209 1075124899 /nfs/dbraw/zinc/12/48/99/1075124899.db2.gz AWJMENCGBSMZAP-NEPJUHHUSA-N 1 1 388.390 3.856 20 5 GHBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001476325351 1075125404 /nfs/dbraw/zinc/12/54/04/1075125404.db2.gz QZWQEOGYTILNBB-CQSZACIVSA-N 1 1 388.390 3.856 20 5 GHBDMO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001655735690 1126255913 /nfs/dbraw/zinc/25/59/13/1126255913.db2.gz GPOOVGZYZQPDRG-QGZVFWFLSA-N 1 1 397.244 3.580 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3cccc([N+](=O)[O-])c3n1)[C@H]2C ZINC001164862537 720956133 /nfs/dbraw/zinc/95/61/33/720956133.db2.gz VZOLVKRUOUIPLK-HNNXBMFYSA-N 1 1 394.479 3.761 20 5 GHBDMO c1csc(C[NH+]2C[C@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)n1 ZINC001164790115 721400354 /nfs/dbraw/zinc/40/03/54/721400354.db2.gz WTPHJGKBROFNEW-ROUUACIJSA-N 1 1 387.512 3.808 20 5 GHBDMO O=[N+]([O-])c1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc2[nH]ccc21 ZINC001164994044 722205218 /nfs/dbraw/zinc/20/52/18/722205218.db2.gz DSURNBNXTCQHFZ-OAQYLSRUSA-N 1 1 395.438 3.855 20 5 GHBDMO COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000133888170 837396944 /nfs/dbraw/zinc/39/69/44/837396944.db2.gz IJIDQMPIGCSJEA-UHFFFAOYSA-N 1 1 396.399 3.940 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275585643 837451781 /nfs/dbraw/zinc/45/17/81/837451781.db2.gz CFIGJEMIHRFTRT-MOPGFXCFSA-N 1 1 397.425 3.728 20 5 GHBDMO CSc1cccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000186992645 837521044 /nfs/dbraw/zinc/52/10/44/837521044.db2.gz GWYPDAGHYKGRTD-ZIAGYGMSSA-N 1 1 377.510 3.700 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176581599 837682992 /nfs/dbraw/zinc/68/29/92/837682992.db2.gz KOSHPAYDKKJLGT-PKOBYXMFSA-N 1 1 396.491 3.566 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000581967205 837757723 /nfs/dbraw/zinc/75/77/23/837757723.db2.gz ITZWYEMRZCRPBZ-LJQANCHMSA-N 1 1 378.831 3.814 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000581967205 837757727 /nfs/dbraw/zinc/75/77/27/837757727.db2.gz ITZWYEMRZCRPBZ-LJQANCHMSA-N 1 1 378.831 3.814 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000582015321 837774272 /nfs/dbraw/zinc/77/42/72/837774272.db2.gz LMJQLUUZPMBUNH-OXJNMPFZSA-N 1 1 397.475 3.634 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000536072955 834645974 /nfs/dbraw/zinc/64/59/74/834645974.db2.gz NNMHULLOKFAWBW-OAHLLOKOSA-N 1 1 379.338 3.530 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000536072955 834645976 /nfs/dbraw/zinc/64/59/76/834645976.db2.gz NNMHULLOKFAWBW-OAHLLOKOSA-N 1 1 379.338 3.530 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000302003615 834778329 /nfs/dbraw/zinc/77/83/29/834778329.db2.gz YNUOAEOBGMNDJK-SECBINFHSA-N 1 1 385.302 3.629 20 5 GHBDMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000120204416 834882550 /nfs/dbraw/zinc/88/25/50/834882550.db2.gz RWVTWUOEEUJCNE-CYBMUJFWSA-N 1 1 382.869 3.509 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000430209451 835118827 /nfs/dbraw/zinc/11/88/27/835118827.db2.gz XXIHPOSPOQGTKJ-SFHVURJKSA-N 1 1 380.448 3.926 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000278480643 835198139 /nfs/dbraw/zinc/19/81/39/835198139.db2.gz ORXREBAULZKVBA-UHFFFAOYSA-N 1 1 391.300 3.751 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000510098947 835222349 /nfs/dbraw/zinc/22/23/49/835222349.db2.gz NJKDVYSXROJBJX-MJGOQNOKSA-N 1 1 381.476 3.934 20 5 GHBDMO Cc1cc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000510103016 835233043 /nfs/dbraw/zinc/23/30/43/835233043.db2.gz YPOSHKFWQRFSSW-MJGOQNOKSA-N 1 1 381.476 3.934 20 5 GHBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000179000175 835233954 /nfs/dbraw/zinc/23/39/54/835233954.db2.gz AAAONVYOXIXASW-GUYCJALGSA-N 1 1 385.489 3.898 20 5 GHBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)c1cccc(OC)c1 ZINC000052705979 835304498 /nfs/dbraw/zinc/30/44/98/835304498.db2.gz PQWMKHDPPDRESV-OAHLLOKOSA-N 1 1 383.448 3.576 20 5 GHBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)c1cccc(OC)c1 ZINC000052705979 835304508 /nfs/dbraw/zinc/30/45/08/835304508.db2.gz PQWMKHDPPDRESV-OAHLLOKOSA-N 1 1 383.448 3.576 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612128102 835569281 /nfs/dbraw/zinc/56/92/81/835569281.db2.gz QLRHXJNIPFCVGN-KSEOMHKRSA-N 1 1 393.487 3.554 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])s1 ZINC000612133003 835583024 /nfs/dbraw/zinc/58/30/24/835583024.db2.gz RGDXRQPKPHLXMP-YESZJQIVSA-N 1 1 385.489 3.687 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(Br)cs1 ZINC000052847952 835711659 /nfs/dbraw/zinc/71/16/59/835711659.db2.gz PLMPQETVYZBWNC-UHFFFAOYSA-N 1 1 398.282 3.879 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179462006 835716566 /nfs/dbraw/zinc/71/65/66/835716566.db2.gz AWSQIWZLADZYGC-NHCUHLMSSA-N 1 1 396.491 3.960 20 5 GHBDMO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000102691908 835762956 /nfs/dbraw/zinc/76/29/56/835762956.db2.gz FFSKJHOZYVIKIA-GFCCVEGCSA-N 1 1 377.828 3.855 20 5 GHBDMO CC(C)c1ccc(C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000584313548 835872359 /nfs/dbraw/zinc/87/23/59/835872359.db2.gz VOUMWCDBMGANKA-UHFFFAOYSA-N 1 1 384.480 3.707 20 5 GHBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000614660579 835944582 /nfs/dbraw/zinc/94/45/82/835944582.db2.gz GGLNPRQSGPQMAS-JOCHJYFZSA-N 1 1 389.411 3.951 20 5 GHBDMO O=C(c1cc2ccccc2c2cccnc12)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000625181135 836092899 /nfs/dbraw/zinc/09/28/99/836092899.db2.gz DPSRCXAUECSJHG-IBGZPJMESA-N 1 1 389.499 3.715 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000365170327 836247147 /nfs/dbraw/zinc/24/71/47/836247147.db2.gz LPRFWXIUYPYWKU-DYESRHJHSA-N 1 1 391.431 3.594 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000365173211 836247582 /nfs/dbraw/zinc/24/75/82/836247582.db2.gz XZGYDJKKAKUQDX-DYESRHJHSA-N 1 1 391.431 3.594 20 5 GHBDMO CCOc1cc(NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)ccc1[N+](=O)[O-] ZINC000471242376 836255858 /nfs/dbraw/zinc/25/58/58/836255858.db2.gz HFISSSNRPCLQHC-UHFFFAOYSA-N 1 1 388.468 3.922 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639649 836505489 /nfs/dbraw/zinc/50/54/89/836505489.db2.gz QZSOVMMETNWGAM-UHFFFAOYSA-N 1 1 382.464 3.932 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000043341587 836653087 /nfs/dbraw/zinc/65/30/87/836653087.db2.gz VKRDRYWTRQYTGO-LLVKDONJSA-N 1 1 394.884 3.878 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000043341587 836653093 /nfs/dbraw/zinc/65/30/93/836653093.db2.gz VKRDRYWTRQYTGO-LLVKDONJSA-N 1 1 394.884 3.878 20 5 GHBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000511375386 836743547 /nfs/dbraw/zinc/74/35/47/836743547.db2.gz BTODHRLJNHQMSC-OAHLLOKOSA-N 1 1 381.432 3.767 20 5 GHBDMO C[C@@H](c1cccc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1)[NH+]1CCOCC1 ZINC000511377399 836772346 /nfs/dbraw/zinc/77/23/46/836772346.db2.gz KIVNHTWUOITWDE-AWEZNQCLSA-N 1 1 396.447 3.616 20 5 GHBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496173 844214660 /nfs/dbraw/zinc/21/46/60/844214660.db2.gz GNGXNOBSUMCBOF-FQEVSTJZSA-N 1 1 385.489 3.785 20 5 GHBDMO Cc1sc(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000472489016 837130980 /nfs/dbraw/zinc/13/09/80/837130980.db2.gz ZRRQQPMDSUHFMR-BDQBCWGISA-N 1 1 387.505 3.851 20 5 GHBDMO COc1ccc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000066676426 837177283 /nfs/dbraw/zinc/17/72/83/837177283.db2.gz AJZSVRKUGSQFRB-UHFFFAOYSA-N 1 1 397.475 3.588 20 5 GHBDMO CN(C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000180566862 837354868 /nfs/dbraw/zinc/35/48/68/837354868.db2.gz KYZQTQAXNLTQNM-MRXNPFEDSA-N 1 1 399.344 3.980 20 5 GHBDMO C[C@@H](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+](C)Cc1ccccc1 ZINC000471457284 838220392 /nfs/dbraw/zinc/22/03/92/838220392.db2.gz DNZLFMMEAJQNKT-HNNXBMFYSA-N 1 1 381.432 3.981 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000549814976 844358251 /nfs/dbraw/zinc/35/82/51/844358251.db2.gz JWAFJFSQFJKXII-CQSZACIVSA-N 1 1 387.411 3.561 20 5 GHBDMO O=C(CC[N@H+]1CCc2ccccc2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000416242224 838790193 /nfs/dbraw/zinc/79/01/93/838790193.db2.gz FKHIADXZEWPIRM-NRFANRHFSA-N 1 1 393.487 3.749 20 5 GHBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000378376404 838982011 /nfs/dbraw/zinc/98/20/11/838982011.db2.gz JOVQWDCNECNNHB-XLIONFOSSA-N 1 1 396.447 3.676 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000580194977 839035529 /nfs/dbraw/zinc/03/55/29/839035529.db2.gz JQBALDPJTFRWMH-LAUBAEHRSA-N 1 1 395.503 3.899 20 5 GHBDMO COc1ccc(-c2ccc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000415053485 839122456 /nfs/dbraw/zinc/12/24/56/839122456.db2.gz ORJXFDCKVNTSMH-DNVCBOLYSA-N 1 1 385.464 3.827 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000549167166 839134835 /nfs/dbraw/zinc/13/48/35/839134835.db2.gz FKWKHAYVCXRJJU-KRWDZBQOSA-N 1 1 382.382 3.692 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCCC2(CC2)C1 ZINC000473434604 844431009 /nfs/dbraw/zinc/43/10/09/844431009.db2.gz CWFVKTJASHFHGO-CYBMUJFWSA-N 1 1 386.477 3.921 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCCC2(CC2)C1 ZINC000473434604 844431012 /nfs/dbraw/zinc/43/10/12/844431012.db2.gz CWFVKTJASHFHGO-CYBMUJFWSA-N 1 1 386.477 3.921 20 5 GHBDMO Cc1c(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000580368192 839401225 /nfs/dbraw/zinc/40/12/25/839401225.db2.gz DJUYDBAGPGYONE-SNVBAGLBSA-N 1 1 387.278 3.516 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC[N@H+]1Cc1ccccc1 ZINC001266608740 839484181 /nfs/dbraw/zinc/48/41/81/839484181.db2.gz OGUYXCQUSZNLFF-IBGZPJMESA-N 1 1 397.475 3.730 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC[C@H]21 ZINC000275907133 839769587 /nfs/dbraw/zinc/76/95/87/839769587.db2.gz CVXJXLIDENHNRN-IIBYNOLFSA-N 1 1 375.472 3.650 20 5 GHBDMO Cc1ccc([C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000136806942 839887518 /nfs/dbraw/zinc/88/75/18/839887518.db2.gz MAFBBKIFLCCMCI-HNNXBMFYSA-N 1 1 377.828 3.717 20 5 GHBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000512551017 844503320 /nfs/dbraw/zinc/50/33/20/844503320.db2.gz AGIOGGGBAMFEPE-KRWDZBQOSA-N 1 1 385.464 3.983 20 5 GHBDMO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000015144442 840428183 /nfs/dbraw/zinc/42/81/83/840428183.db2.gz DCJOPCUDJWWJFM-UHFFFAOYSA-N 1 1 379.382 3.931 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000511763454 840677183 /nfs/dbraw/zinc/67/71/83/840677183.db2.gz SPQJBEWDNLOLRQ-ZHALLVOQSA-N 1 1 386.423 3.747 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511784986 840751196 /nfs/dbraw/zinc/75/11/96/840751196.db2.gz JAXAETDZUSBHOS-FQEVSTJZSA-N 1 1 397.475 3.634 20 5 GHBDMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000106206224 840754621 /nfs/dbraw/zinc/75/46/21/840754621.db2.gz OGBIKMBEFKMTDL-SFHVURJKSA-N 1 1 395.463 3.980 20 5 GHBDMO Cc1csc(C[C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000933123258 840951323 /nfs/dbraw/zinc/95/13/23/840951323.db2.gz LXODUBHDTLULPZ-OAHLLOKOSA-N 1 1 388.493 3.561 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC(OC4CCCCC4)CC3)n2)cc1 ZINC000124727985 841008986 /nfs/dbraw/zinc/00/89/86/841008986.db2.gz ONTHKBPVWUOAJS-UHFFFAOYSA-N 1 1 385.468 3.625 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126419440 841052949 /nfs/dbraw/zinc/05/29/49/841052949.db2.gz JNDDUKZXWBPEJU-JTDSTZFVSA-N 1 1 382.464 3.618 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1OCCc2ccccc21 ZINC000511650288 841349173 /nfs/dbraw/zinc/34/91/73/841349173.db2.gz WBXJNQHVTKCQDG-SFHVURJKSA-N 1 1 378.375 3.942 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1OCCc2ccccc21 ZINC000511650288 841349182 /nfs/dbraw/zinc/34/91/82/841349182.db2.gz WBXJNQHVTKCQDG-SFHVURJKSA-N 1 1 378.375 3.942 20 5 GHBDMO C[S@](=O)c1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000610574787 841397395 /nfs/dbraw/zinc/39/73/95/841397395.db2.gz GPNXNMBQMWJWDX-SANMLTNESA-N 1 1 387.486 3.746 20 5 GHBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487348911 841502134 /nfs/dbraw/zinc/50/21/34/841502134.db2.gz DQGPPBHVRHQSMF-UHFFFAOYSA-N 1 1 382.445 3.681 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000500204858 841651830 /nfs/dbraw/zinc/65/18/30/841651830.db2.gz ARODDYVUSMCQHQ-JOCHJYFZSA-N 1 1 397.475 3.986 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3cc(OC)ccc3[N+](=O)[O-])CC2)cs1 ZINC000549492884 841760275 /nfs/dbraw/zinc/76/02/75/841760275.db2.gz QEZDFVNNDMRIQX-UHFFFAOYSA-N 1 1 390.509 3.946 20 5 GHBDMO COc1ccccc1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000603848101 861267909 /nfs/dbraw/zinc/26/79/09/861267909.db2.gz LHZZGQSZIFSAND-GOSISDBHSA-N 1 1 386.448 3.663 20 5 GHBDMO CCC1([NH+]2CCOCC2)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000600207996 861277736 /nfs/dbraw/zinc/27/77/36/861277736.db2.gz HRMCQIVJRAJKIK-UHFFFAOYSA-N 1 1 399.491 3.932 20 5 GHBDMO CCS[C@@H]1CCCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112089242 842183069 /nfs/dbraw/zinc/18/30/69/842183069.db2.gz KPZQZWBHALXHKW-OAHLLOKOSA-N 1 1 381.498 3.540 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000157949898 842228148 /nfs/dbraw/zinc/22/81/48/842228148.db2.gz HAPRZOGTXGKCGM-YLJYHZDGSA-N 1 1 396.491 3.789 20 5 GHBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302547324 861299906 /nfs/dbraw/zinc/29/99/06/861299906.db2.gz PGTPPDFHXBVKFP-SNVBAGLBSA-N 1 1 395.809 3.548 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000134658334 842420384 /nfs/dbraw/zinc/42/03/84/842420384.db2.gz LJKMCWAIKJPWMW-QWHCGFSZSA-N 1 1 390.440 3.614 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000134658334 842420388 /nfs/dbraw/zinc/42/03/88/842420388.db2.gz LJKMCWAIKJPWMW-QWHCGFSZSA-N 1 1 390.440 3.614 20 5 GHBDMO Cc1cccc(OC[C@@H](O)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C(C)C)c1 ZINC001167487883 842489252 /nfs/dbraw/zinc/48/92/52/842489252.db2.gz SXQAPPIYTRAXTM-INIZCTEOSA-N 1 1 376.428 3.693 20 5 GHBDMO Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C(C)C)c1 ZINC001167487883 842489255 /nfs/dbraw/zinc/48/92/55/842489255.db2.gz SXQAPPIYTRAXTM-INIZCTEOSA-N 1 1 376.428 3.693 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](O)COCc1ccccc1 ZINC000511937004 842490896 /nfs/dbraw/zinc/49/08/96/842490896.db2.gz CROLDAUSXQJDML-GOSISDBHSA-N 1 1 396.443 3.864 20 5 GHBDMO Cc1cccc(OC[C@H](O)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C(C)C)c1 ZINC001167487884 842500513 /nfs/dbraw/zinc/50/05/13/842500513.db2.gz SXQAPPIYTRAXTM-MRXNPFEDSA-N 1 1 376.428 3.693 20 5 GHBDMO Cc1cccc(OC[C@H](O)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C(C)C)c1 ZINC001167487884 842500520 /nfs/dbraw/zinc/50/05/20/842500520.db2.gz SXQAPPIYTRAXTM-MRXNPFEDSA-N 1 1 376.428 3.693 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093820789 842749926 /nfs/dbraw/zinc/74/99/26/842749926.db2.gz WUYYVDHMOPERPH-QFIPXVFZSA-N 1 1 398.459 3.795 20 5 GHBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000510628842 843088139 /nfs/dbraw/zinc/08/81/39/843088139.db2.gz JGMDDBKMXWZYNT-OAHLLOKOSA-N 1 1 398.381 3.794 20 5 GHBDMO COc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510640502 843100320 /nfs/dbraw/zinc/10/03/20/843100320.db2.gz JXCBSJWJSKKQNU-WOJBJXKFSA-N 1 1 398.459 3.936 20 5 GHBDMO COc1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510640502 843100322 /nfs/dbraw/zinc/10/03/22/843100322.db2.gz JXCBSJWJSKKQNU-WOJBJXKFSA-N 1 1 398.459 3.936 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611204810 843484344 /nfs/dbraw/zinc/48/43/44/843484344.db2.gz IFILOBICHQDINJ-MSOLQXFVSA-N 1 1 389.521 3.986 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176039472 843545776 /nfs/dbraw/zinc/54/57/76/843545776.db2.gz WJZSIJDHFGFJQO-MRXNPFEDSA-N 1 1 384.480 3.915 20 5 GHBDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC)c1 ZINC000510815751 843549874 /nfs/dbraw/zinc/54/98/74/843549874.db2.gz WIUBEACDFIXMAX-LJQANCHMSA-N 1 1 392.839 3.825 20 5 GHBDMO O=C(C[N@@H+](C[C@H]1CCCO1)C1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302997243 861446619 /nfs/dbraw/zinc/44/66/19/861446619.db2.gz GUNBDBVBBSQHBN-OAHLLOKOSA-N 1 1 381.860 3.610 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000510890433 843737463 /nfs/dbraw/zinc/73/74/63/843737463.db2.gz QXYCJIZIEBKDPX-NSHDSACASA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000510890433 843737469 /nfs/dbraw/zinc/73/74/69/843737469.db2.gz QXYCJIZIEBKDPX-NSHDSACASA-N 1 1 393.793 3.529 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000510911796 843781101 /nfs/dbraw/zinc/78/11/01/843781101.db2.gz HQGWQDAGLMJHGS-FQEVSTJZSA-N 1 1 396.491 3.695 20 5 GHBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000279972249 844749621 /nfs/dbraw/zinc/74/96/21/844749621.db2.gz DBMKXQSPDHQPQC-INIZCTEOSA-N 1 1 394.518 3.962 20 5 GHBDMO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599660935 861493461 /nfs/dbraw/zinc/49/34/61/861493461.db2.gz QNKFLEUONRXRTL-INIZCTEOSA-N 1 1 384.480 3.506 20 5 GHBDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000513158426 844753327 /nfs/dbraw/zinc/75/33/27/844753327.db2.gz HOTVAFPLDPIMRY-GOSISDBHSA-N 1 1 380.803 3.955 20 5 GHBDMO CSc1cccc(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)c1[N+](=O)[O-] ZINC000614449260 844886983 /nfs/dbraw/zinc/88/69/83/844886983.db2.gz JMSMCAWYYYZWJE-UHFFFAOYSA-N 1 1 386.477 3.550 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000433063520 845109656 /nfs/dbraw/zinc/10/96/56/845109656.db2.gz SQKIHRCHAYMROP-SFHVURJKSA-N 1 1 397.475 3.984 20 5 GHBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000509787756 845419523 /nfs/dbraw/zinc/41/95/23/845419523.db2.gz OGOFAKXUTBDVIG-ZDUSSCGKSA-N 1 1 376.384 3.767 20 5 GHBDMO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000538824296 845644104 /nfs/dbraw/zinc/64/41/04/845644104.db2.gz ULPFLWIUQLIPIK-UHFFFAOYSA-N 1 1 389.427 3.730 20 5 GHBDMO CC(C)C(=O)NCC[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000538824296 845644111 /nfs/dbraw/zinc/64/41/11/845644111.db2.gz ULPFLWIUQLIPIK-UHFFFAOYSA-N 1 1 389.427 3.730 20 5 GHBDMO COCCN1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000237125518 845708135 /nfs/dbraw/zinc/70/81/35/845708135.db2.gz PDDQBAFKIKRZFG-UHFFFAOYSA-N 1 1 393.871 3.709 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000157603786 846017119 /nfs/dbraw/zinc/01/71/19/846017119.db2.gz ZYGRIPGSDXVNLC-KDOFPFPSSA-N 1 1 387.386 3.630 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000502636008 846279739 /nfs/dbraw/zinc/27/97/39/846279739.db2.gz JILPUGCJAAQMKS-LBPRGKRZSA-N 1 1 386.399 3.582 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000421535453 846332941 /nfs/dbraw/zinc/33/29/41/846332941.db2.gz BIOVDDBYKFIOAP-HSZRJFAPSA-N 1 1 393.487 3.950 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000158022058 846364001 /nfs/dbraw/zinc/36/40/01/846364001.db2.gz OJPLHVJHEXSDNM-HNNXBMFYSA-N 1 1 380.404 3.643 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000501008258 846538450 /nfs/dbraw/zinc/53/84/50/846538450.db2.gz PPGXVFVGUKUWEY-INIZCTEOSA-N 1 1 385.464 3.743 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501027446 846562630 /nfs/dbraw/zinc/56/26/30/846562630.db2.gz WJYGOKBSTNZOJW-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501027446 846562634 /nfs/dbraw/zinc/56/26/34/846562634.db2.gz WJYGOKBSTNZOJW-JXFKEZNVSA-N 1 1 383.448 3.694 20 5 GHBDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]2C ZINC000501050828 846577892 /nfs/dbraw/zinc/57/78/92/846577892.db2.gz HTLRLHBSXKACHA-GJZGRUSLSA-N 1 1 383.448 3.940 20 5 GHBDMO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511097517 846810342 /nfs/dbraw/zinc/81/03/42/846810342.db2.gz WEZJPISWJOFKRP-HUUCEWRRSA-N 1 1 389.883 3.988 20 5 GHBDMO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511097517 846810347 /nfs/dbraw/zinc/81/03/47/846810347.db2.gz WEZJPISWJOFKRP-HUUCEWRRSA-N 1 1 389.883 3.988 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000501616977 847060264 /nfs/dbraw/zinc/06/02/64/847060264.db2.gz LKMPUOQEPJBJJO-JKSUJKDBSA-N 1 1 392.459 3.811 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829681 861757135 /nfs/dbraw/zinc/75/71/35/861757135.db2.gz BMCJSDDGZUCEGJ-OAHLLOKOSA-N 1 1 385.468 3.919 20 5 GHBDMO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511123759 847223878 /nfs/dbraw/zinc/22/38/78/847223878.db2.gz ROGZHEIESSMBLV-KRWDZBQOSA-N 1 1 387.505 3.667 20 5 GHBDMO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511123759 847223887 /nfs/dbraw/zinc/22/38/87/847223887.db2.gz ROGZHEIESSMBLV-KRWDZBQOSA-N 1 1 387.505 3.667 20 5 GHBDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511125449 847243691 /nfs/dbraw/zinc/24/36/91/847243691.db2.gz MVBYRFUXZDPOBV-ZDUSSCGKSA-N 1 1 384.461 3.706 20 5 GHBDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511125449 847243700 /nfs/dbraw/zinc/24/37/00/847243700.db2.gz MVBYRFUXZDPOBV-ZDUSSCGKSA-N 1 1 384.461 3.706 20 5 GHBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475004891 861780162 /nfs/dbraw/zinc/78/01/62/861780162.db2.gz XAGMAFPIEHDIAQ-GOSISDBHSA-N 1 1 398.463 3.732 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000511141979 847421022 /nfs/dbraw/zinc/42/10/22/847421022.db2.gz XXOLNXAMEDQKGA-HNNXBMFYSA-N 1 1 399.274 3.816 20 5 GHBDMO Cc1cc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)no1 ZINC000048017765 847484106 /nfs/dbraw/zinc/48/41/06/847484106.db2.gz DHNLOXNTJGSNRU-UHFFFAOYSA-N 1 1 398.488 3.938 20 5 GHBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCSc2ccc(Br)cc21 ZINC000472234862 847839156 /nfs/dbraw/zinc/83/91/56/847839156.db2.gz UBGNDLCWZUGFHL-AWEZNQCLSA-N 1 1 397.298 3.723 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000503630759 847846308 /nfs/dbraw/zinc/84/63/08/847846308.db2.gz SETURLSDKHIYLV-RHSMWYFYSA-N 1 1 377.510 3.653 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000502455282 847911492 /nfs/dbraw/zinc/91/14/92/847911492.db2.gz JQUQZPGUYSWVBH-DOTOQJQBSA-N 1 1 379.526 3.846 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000137217819 847930106 /nfs/dbraw/zinc/93/01/06/847930106.db2.gz CBGAKKVJBHBEQS-UHFFFAOYSA-N 1 1 397.460 3.526 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611713206 848269222 /nfs/dbraw/zinc/26/92/22/848269222.db2.gz ZXRHDVBGECAKQX-HZPDHXFCSA-N 1 1 377.448 3.637 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000132110569 861911209 /nfs/dbraw/zinc/91/12/09/861911209.db2.gz GIKYZBPRDUHJEB-DYESRHJHSA-N 1 1 381.476 3.649 20 5 GHBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000604187234 861948514 /nfs/dbraw/zinc/94/85/14/861948514.db2.gz ARBNTDHMYAORLG-UHFFFAOYSA-N 1 1 379.888 3.976 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000176398627 849079347 /nfs/dbraw/zinc/07/93/47/849079347.db2.gz YFMWHGJQZBIWIA-CQSZACIVSA-N 1 1 389.418 3.700 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000434894055 849864256 /nfs/dbraw/zinc/86/42/56/849864256.db2.gz CYTAFPQCXGTTBV-CRAIPNDOSA-N 1 1 383.448 3.810 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000434894055 849864270 /nfs/dbraw/zinc/86/42/70/849864270.db2.gz CYTAFPQCXGTTBV-CRAIPNDOSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000481697650 862091194 /nfs/dbraw/zinc/09/11/94/862091194.db2.gz XOFRFGDQBATWDI-NRFANRHFSA-N 1 1 384.432 3.504 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000514683207 850136152 /nfs/dbraw/zinc/13/61/52/850136152.db2.gz UJNHLMZYBGYTTR-QZTJIDSGSA-N 1 1 387.524 3.985 20 5 GHBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000514692194 850179622 /nfs/dbraw/zinc/17/96/22/850179622.db2.gz YSQSXFQUFKJDHG-ZDUSSCGKSA-N 1 1 376.482 3.569 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000514771603 850270118 /nfs/dbraw/zinc/27/01/18/850270118.db2.gz UIOVKILAIJUFSZ-CVEARBPZSA-N 1 1 383.448 3.730 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000439693759 850275076 /nfs/dbraw/zinc/27/50/76/850275076.db2.gz HACDWKZOUVBEGZ-AWEZNQCLSA-N 1 1 398.301 3.598 20 5 GHBDMO Cc1nn(CCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000522590830 862114893 /nfs/dbraw/zinc/11/48/93/862114893.db2.gz YYQFJZKQXLARGB-HNNXBMFYSA-N 1 1 399.495 3.811 20 5 GHBDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435330777 850377391 /nfs/dbraw/zinc/37/73/91/850377391.db2.gz WEBYTKFNGQGHIJ-GFCCVEGCSA-N 1 1 399.289 3.519 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+]Cc2c(OC)cc(OC)cc2OC)cc1[N+](=O)[O-] ZINC000504900118 850405074 /nfs/dbraw/zinc/40/50/74/850405074.db2.gz RMRCTRCAZNDMFA-ZDUSSCGKSA-N 1 1 390.436 3.870 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@H](c4ccc(Cl)cc4)C3)n2)c1 ZINC000732186549 862128894 /nfs/dbraw/zinc/12/88/94/862128894.db2.gz JQTDNRMODHMZLF-INIZCTEOSA-N 1 1 383.839 3.954 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCC[NH+]2CCCC2)cc1 ZINC000061556935 862143849 /nfs/dbraw/zinc/14/38/49/862143849.db2.gz XBUJWSOJKWSQFX-UHFFFAOYSA-N 1 1 391.475 3.633 20 5 GHBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426554627 850718396 /nfs/dbraw/zinc/71/83/96/850718396.db2.gz WPZCGPKRDZJXII-INIZCTEOSA-N 1 1 385.464 3.540 20 5 GHBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)[C@@H]2C1 ZINC000425060767 850901139 /nfs/dbraw/zinc/90/11/39/850901139.db2.gz WZJDRNYDAYDXOX-HNAYVOBHSA-N 1 1 381.432 3.553 20 5 GHBDMO Cc1c(CC(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cccc1[N+](=O)[O-] ZINC000425074450 851035108 /nfs/dbraw/zinc/03/51/08/851035108.db2.gz CADZSDPJRRBGOH-UHFFFAOYSA-N 1 1 388.493 3.698 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000488055854 851127195 /nfs/dbraw/zinc/12/71/95/851127195.db2.gz JINUFOIDYRAOAS-HNAYVOBHSA-N 1 1 385.439 3.884 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000488055854 851127202 /nfs/dbraw/zinc/12/72/02/851127202.db2.gz JINUFOIDYRAOAS-HNAYVOBHSA-N 1 1 385.439 3.884 20 5 GHBDMO C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+]1CCCC[C@H]1C ZINC000436102071 851199919 /nfs/dbraw/zinc/19/99/19/851199919.db2.gz PUOFUNAMUJQIMW-CVEARBPZSA-N 1 1 377.488 3.674 20 5 GHBDMO Cc1c(C[N@@H+](CCO)Cc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000488191655 851240241 /nfs/dbraw/zinc/24/02/41/851240241.db2.gz VSKHIBMKWNLCCW-UHFFFAOYSA-N 1 1 379.254 3.660 20 5 GHBDMO C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@H+]1CCC[C@@H](C)C1 ZINC000436113437 851241300 /nfs/dbraw/zinc/24/13/00/851241300.db2.gz YVSDYONLNTYTSF-HUUCEWRRSA-N 1 1 395.478 3.671 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436242850 851360038 /nfs/dbraw/zinc/36/00/38/851360038.db2.gz GHXPQEZOKMUSPD-HNNXBMFYSA-N 1 1 395.478 3.671 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488385862 851452066 /nfs/dbraw/zinc/45/20/66/851452066.db2.gz KPOGMCCEAYWCPY-DAXSKMNVSA-N 1 1 391.265 3.865 20 5 GHBDMO Cc1ccc(C[N@@H+](CCO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000488391473 851455730 /nfs/dbraw/zinc/45/57/30/851455730.db2.gz ALZOZKDVZBBWOQ-UHFFFAOYSA-N 1 1 379.254 3.660 20 5 GHBDMO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000430091516 851521848 /nfs/dbraw/zinc/52/18/48/851521848.db2.gz STQIZIVBKHBHBH-MRXNPFEDSA-N 1 1 392.477 3.644 20 5 GHBDMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000430091516 851521854 /nfs/dbraw/zinc/52/18/54/851521854.db2.gz STQIZIVBKHBHBH-MRXNPFEDSA-N 1 1 392.477 3.644 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000436381502 851538276 /nfs/dbraw/zinc/53/82/76/851538276.db2.gz AXOXVBOWZJYPNY-HNNXBMFYSA-N 1 1 394.397 3.985 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC[NH2+]2)cc1 ZINC000505492079 851561120 /nfs/dbraw/zinc/56/11/20/851561120.db2.gz WDVMBSDTXIKYKM-VLIAUNLRSA-N 1 1 385.439 3.573 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434734762 851619647 /nfs/dbraw/zinc/61/96/47/851619647.db2.gz HALGYPDOHYZDMT-NRFANRHFSA-N 1 1 383.448 3.514 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434734762 851619655 /nfs/dbraw/zinc/61/96/55/851619655.db2.gz HALGYPDOHYZDMT-NRFANRHFSA-N 1 1 383.448 3.514 20 5 GHBDMO Cc1c(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000025042052 851818061 /nfs/dbraw/zinc/81/80/61/851818061.db2.gz AFNDYGIFMNOTAA-GJZGRUSLSA-N 1 1 383.448 3.765 20 5 GHBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)c2C1 ZINC000488916476 851861142 /nfs/dbraw/zinc/86/11/42/851861142.db2.gz MLAXTLYUSWOHOM-UHFFFAOYSA-N 1 1 397.431 3.938 20 5 GHBDMO Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000473771327 851916441 /nfs/dbraw/zinc/91/64/41/851916441.db2.gz YOKKTWIEIPCYCO-HNNXBMFYSA-N 1 1 388.493 3.998 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000436452969 851937615 /nfs/dbraw/zinc/93/76/15/851937615.db2.gz DIVAJKNRTIIUBQ-UHFFFAOYSA-N 1 1 399.447 3.550 20 5 GHBDMO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000489120646 852023950 /nfs/dbraw/zinc/02/39/50/852023950.db2.gz CFZBEWBMLMTNQV-UHFFFAOYSA-N 1 1 377.828 3.636 20 5 GHBDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000489120646 852023956 /nfs/dbraw/zinc/02/39/56/852023956.db2.gz CFZBEWBMLMTNQV-UHFFFAOYSA-N 1 1 377.828 3.636 20 5 GHBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000517626249 852167804 /nfs/dbraw/zinc/16/78/04/852167804.db2.gz YKXTZOAFIDOTHA-SJLPKXTDSA-N 1 1 397.258 3.871 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425620201 852301727 /nfs/dbraw/zinc/30/17/27/852301727.db2.gz IGBKKDXQEWYCAK-FXAWDEMLSA-N 1 1 380.448 3.641 20 5 GHBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000366652129 852373435 /nfs/dbraw/zinc/37/34/35/852373435.db2.gz JUPJUIICJDHJES-VQTJNVASSA-N 1 1 398.850 3.793 20 5 GHBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000366652129 852373443 /nfs/dbraw/zinc/37/34/43/852373443.db2.gz JUPJUIICJDHJES-VQTJNVASSA-N 1 1 398.850 3.793 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489509249 852418493 /nfs/dbraw/zinc/41/84/93/852418493.db2.gz GJWABFPDHOYWKU-CRAIPNDOSA-N 1 1 398.463 3.636 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489864807 852615847 /nfs/dbraw/zinc/61/58/47/852615847.db2.gz LQYBPIQVFVYEGB-QGZVFWFLSA-N 1 1 384.480 3.786 20 5 GHBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437842165 852758775 /nfs/dbraw/zinc/75/87/75/852758775.db2.gz MKIPRKIPERBEBQ-KRWDZBQOSA-N 1 1 377.510 3.600 20 5 GHBDMO C[C@@H]1[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000490964657 853375934 /nfs/dbraw/zinc/37/59/34/853375934.db2.gz BVHNCRHRGUGZHE-VQIMIIECSA-N 1 1 396.491 3.792 20 5 GHBDMO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000506120730 853470366 /nfs/dbraw/zinc/47/03/66/853470366.db2.gz CMDOVPGWLYJCFM-GOSISDBHSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000506120730 853470371 /nfs/dbraw/zinc/47/03/71/853470371.db2.gz CMDOVPGWLYJCFM-GOSISDBHSA-N 1 1 380.404 3.991 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000425912401 853563431 /nfs/dbraw/zinc/56/34/31/853563431.db2.gz DOXPWFWPYTYQNT-CQSZACIVSA-N 1 1 397.248 3.861 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000003540505 862479521 /nfs/dbraw/zinc/47/95/21/862479521.db2.gz PZZVNUJWOJVTGR-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000003540505 862479535 /nfs/dbraw/zinc/47/95/35/862479535.db2.gz PZZVNUJWOJVTGR-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102568 853645621 /nfs/dbraw/zinc/64/56/21/853645621.db2.gz FZIOPFRIHWOECM-AWEZNQCLSA-N 1 1 399.447 3.516 20 5 GHBDMO CCOc1ccc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000517341544 853672244 /nfs/dbraw/zinc/67/22/44/853672244.db2.gz FFVBNTUMXBECLO-OAHLLOKOSA-N 1 1 399.447 3.639 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2ccccc2F)c1 ZINC000517349512 853697475 /nfs/dbraw/zinc/69/74/75/853697475.db2.gz ICSBQIKWFJEQQU-UHFFFAOYSA-N 1 1 386.164 3.628 20 5 GHBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)[C@H](C)C1 ZINC000587519550 853800700 /nfs/dbraw/zinc/80/07/00/853800700.db2.gz MIBQHZSQTUNMDF-CQSZACIVSA-N 1 1 377.510 3.796 20 5 GHBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)[C@H](C)C1 ZINC000587519550 853800705 /nfs/dbraw/zinc/80/07/05/853800705.db2.gz MIBQHZSQTUNMDF-CQSZACIVSA-N 1 1 377.510 3.796 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@]3(CO)CCOc4ccccc43)o2)cc1 ZINC000441355676 854126579 /nfs/dbraw/zinc/12/65/79/854126579.db2.gz YTZKKTOYGPLUEQ-NRFANRHFSA-N 1 1 380.400 3.615 20 5 GHBDMO COc1ccc(OCCN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397873 854181517 /nfs/dbraw/zinc/18/15/17/854181517.db2.gz RJCMYHOPULFRBJ-ZWKOTPCHSA-N 1 1 391.512 3.569 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000055900261 854218798 /nfs/dbraw/zinc/21/87/98/854218798.db2.gz MRAWNOAPVURCBG-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000055900261 854218803 /nfs/dbraw/zinc/21/88/03/854218803.db2.gz MRAWNOAPVURCBG-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CCc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000133470959 862560094 /nfs/dbraw/zinc/56/00/94/862560094.db2.gz RANNOMWKGXEVNX-VQIMIIECSA-N 1 1 381.480 3.535 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@H](O)C1CC1 ZINC000589197035 854743819 /nfs/dbraw/zinc/74/38/19/854743819.db2.gz UWWWQCQBMOCWAX-INIZCTEOSA-N 1 1 395.253 3.820 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCn3ccc4cc(Cl)ccc43)C2)nc1 ZINC000589256238 854763228 /nfs/dbraw/zinc/76/32/28/854763228.db2.gz VOHWDHDFYQFVLR-MRXNPFEDSA-N 1 1 385.855 3.784 20 5 GHBDMO C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248389087 854837617 /nfs/dbraw/zinc/83/76/17/854837617.db2.gz ALBZNSCGAKWPFX-OWCLPIDISA-N 1 1 391.537 3.845 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000589499436 854910990 /nfs/dbraw/zinc/91/09/90/854910990.db2.gz QSTWWAHNXDYVNP-NQIIRXRSSA-N 1 1 398.459 3.981 20 5 GHBDMO COc1cc(C[NH+]2CCC(c3cc(C)[nH]n3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000273047984 855043806 /nfs/dbraw/zinc/04/38/06/855043806.db2.gz XXVCOIPPFAQNCI-UHFFFAOYSA-N 1 1 396.394 3.616 20 5 GHBDMO COc1cc(C[NH+]2CCC(c3cc(C)n[nH]3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000273047984 855043809 /nfs/dbraw/zinc/04/38/09/855043809.db2.gz XXVCOIPPFAQNCI-UHFFFAOYSA-N 1 1 396.394 3.616 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1 ZINC000273058524 855047428 /nfs/dbraw/zinc/04/74/28/855047428.db2.gz SJAWAFKQEXYPQG-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1 ZINC000273058524 855047433 /nfs/dbraw/zinc/04/74/33/855047433.db2.gz SJAWAFKQEXYPQG-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO Cc1ccc(-c2noc([C@H](C)[NH2+]CCOc3ccccc3[N+](=O)[O-])n2)cc1F ZINC000543545245 862642623 /nfs/dbraw/zinc/64/26/23/862642623.db2.gz RWRAKUNWCPACQS-ZDUSSCGKSA-N 1 1 386.383 3.822 20 5 GHBDMO COC(=O)c1cc(NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc(C)c1[N+](=O)[O-] ZINC000301551016 855240671 /nfs/dbraw/zinc/24/06/71/855240671.db2.gz GWZGMTMYYHOTFU-UHFFFAOYSA-N 1 1 398.394 3.935 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(SC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000441539010 855596429 /nfs/dbraw/zinc/59/64/29/855596429.db2.gz XQMTWCKXGMFCGL-UHFFFAOYSA-N 1 1 392.477 3.845 20 5 GHBDMO C[NH+](C)[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000427597464 855683106 /nfs/dbraw/zinc/68/31/06/855683106.db2.gz VBYHHEQLCPCANN-MRXNPFEDSA-N 1 1 381.354 3.533 20 5 GHBDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273604922 855792482 /nfs/dbraw/zinc/79/24/82/855792482.db2.gz KHURDLCRWQOGJA-UHFFFAOYSA-N 1 1 395.385 3.504 20 5 GHBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000573109178 855847277 /nfs/dbraw/zinc/84/72/77/855847277.db2.gz BATUEZPBAVAKNY-ZDUSSCGKSA-N 1 1 387.402 3.742 20 5 GHBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000573109178 855847284 /nfs/dbraw/zinc/84/72/84/855847284.db2.gz BATUEZPBAVAKNY-ZDUSSCGKSA-N 1 1 387.402 3.742 20 5 GHBDMO CC(C)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2cccnc21 ZINC000126848882 855925808 /nfs/dbraw/zinc/92/58/08/855925808.db2.gz VYQBVNAMJUUKJB-HXUWFJFHSA-N 1 1 396.491 3.988 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC001168563209 856063404 /nfs/dbraw/zinc/06/34/04/856063404.db2.gz FQGAXTBQVCSGDX-LLVKDONJSA-N 1 1 397.353 3.933 20 5 GHBDMO COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000067449251 856158128 /nfs/dbraw/zinc/15/81/28/856158128.db2.gz LZSWTTNGDAKGGT-UHFFFAOYSA-N 1 1 379.416 3.867 20 5 GHBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000159506617 862781664 /nfs/dbraw/zinc/78/16/64/862781664.db2.gz ZXSGWUYYXAVODF-RYUDHWBXSA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000172019073 856322017 /nfs/dbraw/zinc/32/20/17/856322017.db2.gz KMPBUHRSXXIXQG-CQSZACIVSA-N 1 1 379.888 3.719 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3O)n2)cc1 ZINC000280976523 862786778 /nfs/dbraw/zinc/78/67/78/862786778.db2.gz KYDOHSHDUHBOPE-KSZLIROESA-N 1 1 386.452 3.550 20 5 GHBDMO Cc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)c1 ZINC000485416312 856462190 /nfs/dbraw/zinc/46/21/90/856462190.db2.gz OKUULNWPSMZRFJ-UHFFFAOYSA-N 1 1 393.422 3.826 20 5 GHBDMO O=C(C[NH2+]C1(c2ccccc2F)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592144903 856697123 /nfs/dbraw/zinc/69/71/23/856697123.db2.gz QAQMWVJFFTXRRA-UHFFFAOYSA-N 1 1 377.803 3.995 20 5 GHBDMO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174230950 857229290 /nfs/dbraw/zinc/22/92/90/857229290.db2.gz IEBWTLMHOCFQAX-OLZOCXBDSA-N 1 1 375.400 3.729 20 5 GHBDMO C[C@@H](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000174411366 857290594 /nfs/dbraw/zinc/29/05/94/857290594.db2.gz VCUDGNSCNCSJOQ-AWEZNQCLSA-N 1 1 375.856 3.889 20 5 GHBDMO COc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(F)cc1[N+](=O)[O-] ZINC000485990718 857321088 /nfs/dbraw/zinc/32/10/88/857321088.db2.gz BARVOFIYLCAEGB-RDTXWAMCSA-N 1 1 381.354 3.878 20 5 GHBDMO COc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(F)cc1[N+](=O)[O-] ZINC000485990718 857321100 /nfs/dbraw/zinc/32/11/00/857321100.db2.gz BARVOFIYLCAEGB-RDTXWAMCSA-N 1 1 381.354 3.878 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000554964464 857377954 /nfs/dbraw/zinc/37/79/54/857377954.db2.gz DIFHSHSEJYMSAG-KRWDZBQOSA-N 1 1 389.496 3.768 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000486240626 857565121 /nfs/dbraw/zinc/56/51/21/857565121.db2.gz AKOYIPNETKHHLL-OAHLLOKOSA-N 1 1 396.919 3.745 20 5 GHBDMO CN(C)C(=O)c1cccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000922068716 857709496 /nfs/dbraw/zinc/70/94/96/857709496.db2.gz QANMFCHVPSSIDC-UHFFFAOYSA-N 1 1 381.354 3.605 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000521230316 857746764 /nfs/dbraw/zinc/74/67/64/857746764.db2.gz WIFPRAAVHPGVQW-CQSZACIVSA-N 1 1 397.903 3.594 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000301794511 857768205 /nfs/dbraw/zinc/76/82/05/857768205.db2.gz SKXLQBKIQQGZGP-MLGOLLRUSA-N 1 1 380.286 3.810 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486499514 857798196 /nfs/dbraw/zinc/79/81/96/857798196.db2.gz YAYYLFAHZZCOAW-LSDHHAIUSA-N 1 1 395.450 3.529 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000114197051 857935904 /nfs/dbraw/zinc/93/59/04/857935904.db2.gz UWZDZOLUEKNWAI-UHFFFAOYSA-N 1 1 396.919 3.631 20 5 GHBDMO CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)ccc21 ZINC001129229668 857939219 /nfs/dbraw/zinc/93/92/19/857939219.db2.gz FVUMKRJVAHZFKQ-RBUKOAKNSA-N 1 1 376.416 3.951 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442884741 858205910 /nfs/dbraw/zinc/20/59/10/858205910.db2.gz UAEIKOBCZVSMPQ-HUUCEWRRSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442884741 858205913 /nfs/dbraw/zinc/20/59/13/858205913.db2.gz UAEIKOBCZVSMPQ-HUUCEWRRSA-N 1 1 385.489 3.911 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000521696625 858239355 /nfs/dbraw/zinc/23/93/55/858239355.db2.gz QPRDHAYNPDLYJB-INIZCTEOSA-N 1 1 382.464 3.799 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000184888291 858252735 /nfs/dbraw/zinc/25/27/35/858252735.db2.gz NAYZEFVFZBQXKE-OALUTQOASA-N 1 1 375.513 3.648 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2nccn2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594995693 858360663 /nfs/dbraw/zinc/36/06/63/858360663.db2.gz ONHAFYUODSLRIJ-HNNXBMFYSA-N 1 1 396.447 3.767 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2nccn2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594995698 858361037 /nfs/dbraw/zinc/36/10/37/858361037.db2.gz ONHAFYUODSLRIJ-OAHLLOKOSA-N 1 1 396.447 3.767 20 5 GHBDMO COc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1[N+](=O)[O-] ZINC000595000167 858362814 /nfs/dbraw/zinc/36/28/14/858362814.db2.gz JPVQLUYAGZESEN-FQEVSTJZSA-N 1 1 395.503 3.995 20 5 GHBDMO COc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1[N+](=O)[O-] ZINC000595000167 858362823 /nfs/dbraw/zinc/36/28/23/858362823.db2.gz JPVQLUYAGZESEN-FQEVSTJZSA-N 1 1 395.503 3.995 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000595009142 858365238 /nfs/dbraw/zinc/36/52/38/858365238.db2.gz DXYFWOSELXKXSB-BEFAXECRSA-N 1 1 383.448 3.618 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000521984131 858510744 /nfs/dbraw/zinc/51/07/44/858510744.db2.gz QYNZMKRLLXUWKP-OAHLLOKOSA-N 1 1 379.526 3.704 20 5 GHBDMO COc1ccc2cc(C[N@@H+](C)C[C@H](O)COc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000543140430 858588044 /nfs/dbraw/zinc/58/80/44/858588044.db2.gz MJQQYALQIAVZRC-IBGZPJMESA-N 1 1 396.443 3.628 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595767914 858665065 /nfs/dbraw/zinc/66/50/65/858665065.db2.gz QZXYNEPTAWWYIF-NRFANRHFSA-N 1 1 383.448 3.596 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]2CCCC[C@@H]12 ZINC000595733518 858669554 /nfs/dbraw/zinc/66/95/54/858669554.db2.gz RFJKCKWTPIOFBN-OTWHNJEPSA-N 1 1 399.447 3.804 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(C(N)=O)c3)cc2)C1 ZINC000596076618 858773451 /nfs/dbraw/zinc/77/34/51/858773451.db2.gz IJFVZMDTOFQDRU-IYBDPMFKSA-N 1 1 396.491 3.784 20 5 GHBDMO CCC[N@@H+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(Cl)cc1 ZINC000596232889 858823088 /nfs/dbraw/zinc/82/30/88/858823088.db2.gz GWEKBQNOYDMQHT-SFHVURJKSA-N 1 1 390.871 3.842 20 5 GHBDMO C[C@@H]1SCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000543202104 858851994 /nfs/dbraw/zinc/85/19/94/858851994.db2.gz ALWDDZFAANBHOJ-XAUMDUMWSA-N 1 1 388.489 3.513 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000160437181 858895269 /nfs/dbraw/zinc/89/52/69/858895269.db2.gz FAJDGBOBDFMFBI-PIGZYNQJSA-N 1 1 395.431 3.747 20 5 GHBDMO C/C(=C\c1ccccc1)C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000494272818 881368116 /nfs/dbraw/zinc/36/81/16/881368116.db2.gz BXHFQOAXEFNMAN-DTQAZKPQSA-N 1 1 381.432 3.928 20 5 GHBDMO COc1ccc(C[C@@H](C)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC001170334792 881380521 /nfs/dbraw/zinc/38/05/21/881380521.db2.gz IOMNUGYVEFVKIL-GQWLDOHISA-N 1 1 399.491 3.785 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC001170334792 881380539 /nfs/dbraw/zinc/38/05/39/881380539.db2.gz IOMNUGYVEFVKIL-GQWLDOHISA-N 1 1 399.491 3.785 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H]3[C@H]2CCN3Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC001170334792 881380554 /nfs/dbraw/zinc/38/05/54/881380554.db2.gz IOMNUGYVEFVKIL-GQWLDOHISA-N 1 1 399.491 3.785 20 5 GHBDMO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000509373341 859210371 /nfs/dbraw/zinc/21/03/71/859210371.db2.gz PJHAYILXIAJDJH-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170354482 881396420 /nfs/dbraw/zinc/39/64/20/881396420.db2.gz LZBHPLXBYPQAIP-HNNXBMFYSA-N 1 1 395.500 3.723 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(c3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000042633465 859227842 /nfs/dbraw/zinc/22/78/42/859227842.db2.gz XVBISZJWDQFBRZ-HNNXBMFYSA-N 1 1 383.448 3.815 20 5 GHBDMO COCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000483409296 859344911 /nfs/dbraw/zinc/34/49/11/859344911.db2.gz ARCBBCKQJORWPW-TZMCWYRMSA-N 1 1 388.411 3.842 20 5 GHBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000483419291 859352580 /nfs/dbraw/zinc/35/25/80/859352580.db2.gz HWDYLRMSXAQTBN-FQEVSTJZSA-N 1 1 382.395 3.948 20 5 GHBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597224603 859374617 /nfs/dbraw/zinc/37/46/17/859374617.db2.gz MEYXYIIIGUXHON-INIZCTEOSA-N 1 1 388.493 3.511 20 5 GHBDMO C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000428720685 859451226 /nfs/dbraw/zinc/45/12/26/859451226.db2.gz LILFYKSLBJPTGB-INIZCTEOSA-N 1 1 379.460 3.533 20 5 GHBDMO C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000428720685 859451231 /nfs/dbraw/zinc/45/12/31/859451231.db2.gz LILFYKSLBJPTGB-INIZCTEOSA-N 1 1 379.460 3.533 20 5 GHBDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1F ZINC000161036611 859498220 /nfs/dbraw/zinc/49/82/20/859498220.db2.gz WOUUTCVZHKVSQY-ZBEGNZNMSA-N 1 1 393.390 3.950 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611171114 859633353 /nfs/dbraw/zinc/63/33/53/859633353.db2.gz WLSPPMCITZWKCH-KRWDZBQOSA-N 1 1 392.459 3.956 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611212159 859645241 /nfs/dbraw/zinc/64/52/41/859645241.db2.gz VODSLUFAKLYMDV-SCLBCKFNSA-N 1 1 389.521 3.842 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611200889 859647919 /nfs/dbraw/zinc/64/79/19/859647919.db2.gz ZBGUJHHOUTWPAP-CABCVRRESA-N 1 1 389.521 3.986 20 5 GHBDMO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000611287568 859683736 /nfs/dbraw/zinc/68/37/36/859683736.db2.gz JWWPFVKVTQANBU-CYBMUJFWSA-N 1 1 386.395 3.752 20 5 GHBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000611287568 859683740 /nfs/dbraw/zinc/68/37/40/859683740.db2.gz JWWPFVKVTQANBU-CYBMUJFWSA-N 1 1 386.395 3.752 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765033065 859740835 /nfs/dbraw/zinc/74/08/35/859740835.db2.gz OBAMMEWKOJLUIC-YWZLYKJASA-N 1 1 375.469 3.989 20 5 GHBDMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611488286 859783178 /nfs/dbraw/zinc/78/31/78/859783178.db2.gz VVAPWZGDURPCCF-QGZVFWFLSA-N 1 1 394.475 3.991 20 5 GHBDMO O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000602145091 859807035 /nfs/dbraw/zinc/80/70/35/859807035.db2.gz XEVSRTWVTWFHHD-UHFFFAOYSA-N 1 1 383.448 3.584 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000261373695 859915658 /nfs/dbraw/zinc/91/56/58/859915658.db2.gz IYXFTVRMXGHHOT-INIZCTEOSA-N 1 1 396.491 3.798 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@H](O)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552146396 860000436 /nfs/dbraw/zinc/00/04/36/860000436.db2.gz FDPTUWHOXWEJRB-IBGZPJMESA-N 1 1 386.448 3.529 20 5 GHBDMO Cn1cc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)c([N+](=O)[O-])n1 ZINC000602444337 860034889 /nfs/dbraw/zinc/03/48/89/860034889.db2.gz GQDZTEVTOVIVIC-UHFFFAOYSA-N 1 1 375.816 3.503 20 5 GHBDMO C[N@H+]1CCC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1cccs1 ZINC000602549414 860095413 /nfs/dbraw/zinc/09/54/13/860095413.db2.gz CWGIAVGZRQKWEX-BFUOFWGJSA-N 1 1 386.477 3.970 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598195946 860140038 /nfs/dbraw/zinc/14/00/38/860140038.db2.gz XPAGEDWDLCEFCL-KRWDZBQOSA-N 1 1 387.867 3.637 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)c(C(F)(F)F)c1 ZINC000727585782 860144581 /nfs/dbraw/zinc/14/45/81/860144581.db2.gz LCMZCBUDRBZIOH-SNVBAGLBSA-N 1 1 398.212 3.929 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000895972084 860182034 /nfs/dbraw/zinc/18/20/34/860182034.db2.gz PRVUSSLYBMXIPR-VIFPVBQESA-N 1 1 378.231 3.502 20 5 GHBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000598341395 860231850 /nfs/dbraw/zinc/23/18/50/860231850.db2.gz APRNSEPHNASUEQ-OAHLLOKOSA-N 1 1 385.489 3.960 20 5 GHBDMO Cn1cc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093341725 860253462 /nfs/dbraw/zinc/25/34/62/860253462.db2.gz ZPVUZCGGOFLTLN-JOCHJYFZSA-N 1 1 392.459 3.743 20 5 GHBDMO Cn1cc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093341725 860253471 /nfs/dbraw/zinc/25/34/71/860253471.db2.gz ZPVUZCGGOFLTLN-JOCHJYFZSA-N 1 1 392.459 3.743 20 5 GHBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000598395073 860276753 /nfs/dbraw/zinc/27/67/53/860276753.db2.gz BFIKWKTWDPXGKO-KRWDZBQOSA-N 1 1 397.450 3.766 20 5 GHBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc([N+](=O)[O-])s1 ZINC000598396319 860278963 /nfs/dbraw/zinc/27/89/63/860278963.db2.gz KMKUNGUEBIKZSF-INIZCTEOSA-N 1 1 385.489 3.688 20 5 GHBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000602806253 860290348 /nfs/dbraw/zinc/29/03/48/860290348.db2.gz PUXNTBBUGBDOEE-CQSZACIVSA-N 1 1 384.411 3.897 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C2)nc1 ZINC000093534263 860297869 /nfs/dbraw/zinc/29/78/69/860297869.db2.gz GSYJVBFBOYGTAI-SFHVURJKSA-N 1 1 393.422 3.877 20 5 GHBDMO CN(C)c1cccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000093845628 860360687 /nfs/dbraw/zinc/36/06/87/860360687.db2.gz NEEAISWSADJELT-UHFFFAOYSA-N 1 1 379.464 3.693 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000155335842 860482779 /nfs/dbraw/zinc/48/27/79/860482779.db2.gz BMHLLXXMMJFYKS-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO Cc1c(CN2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cccc1[N+](=O)[O-] ZINC000856598329 881572262 /nfs/dbraw/zinc/57/22/62/881572262.db2.gz HOYMWNXTRPBPMC-NRFANRHFSA-N 1 1 398.507 3.792 20 5 GHBDMO Cc1c(CN2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cccc1[N+](=O)[O-] ZINC000856598329 881572275 /nfs/dbraw/zinc/57/22/75/881572275.db2.gz HOYMWNXTRPBPMC-NRFANRHFSA-N 1 1 398.507 3.792 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000555417812 860869477 /nfs/dbraw/zinc/86/94/77/860869477.db2.gz OVBICEWFGUGFLR-CYBMUJFWSA-N 1 1 388.386 3.631 20 5 GHBDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000593694172 860907069 /nfs/dbraw/zinc/90/70/69/860907069.db2.gz JEUGNCAMWQXPJW-NSHDSACASA-N 1 1 383.242 3.820 20 5 GHBDMO CN(C(=O)C[NH+]1CCC(c2ccc(F)c(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000609194795 881621287 /nfs/dbraw/zinc/62/12/87/881621287.db2.gz KATZAMWCMCJWBX-UHFFFAOYSA-N 1 1 389.402 3.715 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000062229763 863128272 /nfs/dbraw/zinc/12/82/72/863128272.db2.gz SKQJOYJCMMOBTM-QGZVFWFLSA-N 1 1 392.459 3.718 20 5 GHBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000121218173 863135533 /nfs/dbraw/zinc/13/55/33/863135533.db2.gz ZHGMSNSBICEPKG-KXBFYZLASA-N 1 1 382.464 3.751 20 5 GHBDMO COc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3F)CCOCC2)cc1F ZINC000444014982 863154548 /nfs/dbraw/zinc/15/45/48/863154548.db2.gz JUDAGIVUBDYSMG-UHFFFAOYSA-N 1 1 378.375 3.677 20 5 GHBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000901135942 863198657 /nfs/dbraw/zinc/19/86/57/863198657.db2.gz SGPLIDZLGNIHNI-CABZTGNLSA-N 1 1 390.242 3.597 20 5 GHBDMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000020803057 863752858 /nfs/dbraw/zinc/75/28/58/863752858.db2.gz KWKQJOHSLNQQAN-UHFFFAOYSA-N 1 1 398.282 3.798 20 5 GHBDMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000020803057 863752867 /nfs/dbraw/zinc/75/28/67/863752867.db2.gz KWKQJOHSLNQQAN-UHFFFAOYSA-N 1 1 398.282 3.798 20 5 GHBDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000444253211 863760878 /nfs/dbraw/zinc/76/08/78/863760878.db2.gz SPEMKHKZIFWTMR-HSMVNMDESA-N 1 1 396.285 3.949 20 5 GHBDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000444253211 863760887 /nfs/dbraw/zinc/76/08/87/863760887.db2.gz SPEMKHKZIFWTMR-HSMVNMDESA-N 1 1 396.285 3.949 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444253237 863760961 /nfs/dbraw/zinc/76/09/61/863760961.db2.gz STXUKWMKERHXTM-SFHVURJKSA-N 1 1 391.515 3.922 20 5 GHBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000444253212 863761151 /nfs/dbraw/zinc/76/11/51/863761151.db2.gz SPEMKHKZIFWTMR-WQGACYEGSA-N 1 1 396.285 3.949 20 5 GHBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000444253212 863761158 /nfs/dbraw/zinc/76/11/58/863761158.db2.gz SPEMKHKZIFWTMR-WQGACYEGSA-N 1 1 396.285 3.949 20 5 GHBDMO O=[N+]([O-])c1cn(C[NH+]2CCC(COc3ccccc3)CC2)nc1-c1ccncc1 ZINC000172909597 864108169 /nfs/dbraw/zinc/10/81/69/864108169.db2.gz WKAVHBRFPVCETL-UHFFFAOYSA-N 1 1 393.447 3.602 20 5 GHBDMO O=C(CCNc1ccccc1[N+](=O)[O-])OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000734300127 864133331 /nfs/dbraw/zinc/13/33/31/864133331.db2.gz MABMEFCRAUFQQG-IBGZPJMESA-N 1 1 397.475 3.852 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000898578308 864214328 /nfs/dbraw/zinc/21/43/28/864214328.db2.gz IWWYNSMODPNCGM-VIFPVBQESA-N 1 1 392.258 3.891 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C(=O)Nc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000237436912 864384575 /nfs/dbraw/zinc/38/45/75/864384575.db2.gz FQSHZVKZHGLZIE-AWEZNQCLSA-N 1 1 395.415 3.980 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)cc1 ZINC000128426946 864833912 /nfs/dbraw/zinc/83/39/12/864833912.db2.gz MIIHNQVBHCCKQK-HNNXBMFYSA-N 1 1 387.411 3.561 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000475353388 864840655 /nfs/dbraw/zinc/84/06/55/864840655.db2.gz FBNGDORLZHVUFN-UHFFFAOYSA-N 1 1 399.278 3.926 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000063549464 864940810 /nfs/dbraw/zinc/94/08/10/864940810.db2.gz QFCQSOGDNHZJMS-SFHVURJKSA-N 1 1 397.475 3.948 20 5 GHBDMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000554846429 865009534 /nfs/dbraw/zinc/00/95/34/865009534.db2.gz WHDYZJXFKCYHSW-ACDBMABISA-N 1 1 391.471 3.895 20 5 GHBDMO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)CCC2 ZINC000192826330 865095865 /nfs/dbraw/zinc/09/58/65/865095865.db2.gz GTLKJKJCLUDRFV-OAHLLOKOSA-N 1 1 388.420 3.849 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCCc4cccc(F)c4)CC3)nc2c1 ZINC000481170640 865955771 /nfs/dbraw/zinc/95/57/71/865955771.db2.gz GQKKCMVGDCJIOJ-UHFFFAOYSA-N 1 1 397.454 3.755 20 5 GHBDMO CCOc1cc(N2CC[NH+](CC3=Cc4ccccc4OC3)CC2)ccc1[N+](=O)[O-] ZINC000475488837 866024689 /nfs/dbraw/zinc/02/46/89/866024689.db2.gz XOTIXMNXANIINF-UHFFFAOYSA-N 1 1 395.459 3.592 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+](CCO)[C@H]3CCCSC3)o2)c([N+](=O)[O-])c1 ZINC000475498624 866038917 /nfs/dbraw/zinc/03/89/17/866038917.db2.gz XOESHQZXFKRDGD-AWEZNQCLSA-N 1 1 392.477 3.553 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740884507 866073957 /nfs/dbraw/zinc/07/39/57/866073957.db2.gz OTQBTFFKAFHCEO-MLGOLLRUSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740884507 866073976 /nfs/dbraw/zinc/07/39/76/866073976.db2.gz OTQBTFFKAFHCEO-MLGOLLRUSA-N 1 1 383.876 3.983 20 5 GHBDMO COc1ccc2c(c1)CC[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000534102454 866132662 /nfs/dbraw/zinc/13/26/62/866132662.db2.gz GNYWPQHMWNAAIY-UHFFFAOYSA-N 1 1 379.416 3.859 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000475575134 866386980 /nfs/dbraw/zinc/38/69/80/866386980.db2.gz YZICYTGQLPENMV-APWZRJJASA-N 1 1 382.464 3.854 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000552937340 866534053 /nfs/dbraw/zinc/53/40/53/866534053.db2.gz BYWKTIDJKJZVNR-OAHLLOKOSA-N 1 1 382.464 3.680 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000741747168 866751563 /nfs/dbraw/zinc/75/15/63/866751563.db2.gz ODMPYAFLOZYPMZ-AWEZNQCLSA-N 1 1 389.839 3.721 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000183634250 866943800 /nfs/dbraw/zinc/94/38/00/866943800.db2.gz UEZMHEYBHGOGNV-VQTJNVASSA-N 1 1 389.883 3.718 20 5 GHBDMO CC[N@@H+](CCC1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1)CC1CC1 ZINC000553182832 866953433 /nfs/dbraw/zinc/95/34/33/866953433.db2.gz ZTYKRKTUONROMZ-UHFFFAOYSA-N 1 1 389.525 3.938 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC000440484568 866961112 /nfs/dbraw/zinc/96/11/12/866961112.db2.gz GNOFBACEPGNEKX-CQSZACIVSA-N 1 1 396.369 3.617 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C2)nc1 ZINC000440489741 866962545 /nfs/dbraw/zinc/96/25/45/866962545.db2.gz DMCYFFWQKJSUNS-HNNXBMFYSA-N 1 1 399.838 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C2)nc1 ZINC000440489741 866962559 /nfs/dbraw/zinc/96/25/59/866962559.db2.gz DMCYFFWQKJSUNS-HNNXBMFYSA-N 1 1 399.838 3.985 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H]2CCc2ccccc2)nc1-c1ccncc1 ZINC000742145486 867079538 /nfs/dbraw/zinc/07/95/38/867079538.db2.gz KSJNYATTZHTVOA-LJQANCHMSA-N 1 1 377.448 3.908 20 5 GHBDMO Cc1ccc(C(C)(C)C[N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000742172062 867098444 /nfs/dbraw/zinc/09/84/44/867098444.db2.gz ULMVABJLULJZFX-UHFFFAOYSA-N 1 1 381.274 3.729 20 5 GHBDMO Cc1ccc(C(C)(C)C[N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000742172062 867098457 /nfs/dbraw/zinc/09/84/57/867098457.db2.gz ULMVABJLULJZFX-UHFFFAOYSA-N 1 1 381.274 3.729 20 5 GHBDMO CC(C)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000444810185 867241448 /nfs/dbraw/zinc/24/14/48/867241448.db2.gz ZRJSEKDAIGPNPX-KRWDZBQOSA-N 1 1 378.856 3.899 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000523488138 867389073 /nfs/dbraw/zinc/38/90/73/867389073.db2.gz SEVQJYSRFYTGLG-QZTJIDSGSA-N 1 1 387.524 3.985 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000553526226 867624472 /nfs/dbraw/zinc/62/44/72/867624472.db2.gz VLOYUWDHDWXZSJ-LBPRGKRZSA-N 1 1 385.386 3.560 20 5 GHBDMO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534857846 867657114 /nfs/dbraw/zinc/65/71/14/867657114.db2.gz NUIYECDLDFAXRF-UHFFFAOYSA-N 1 1 375.425 3.804 20 5 GHBDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534857846 867657127 /nfs/dbraw/zinc/65/71/27/867657127.db2.gz NUIYECDLDFAXRF-UHFFFAOYSA-N 1 1 375.425 3.804 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000535301950 868530874 /nfs/dbraw/zinc/53/08/74/868530874.db2.gz FYKYBUHAHCOBTH-OAHLLOKOSA-N 1 1 392.362 3.504 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000535301950 868530879 /nfs/dbraw/zinc/53/08/79/868530879.db2.gz FYKYBUHAHCOBTH-OAHLLOKOSA-N 1 1 392.362 3.504 20 5 GHBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128283 868769473 /nfs/dbraw/zinc/76/94/73/868769473.db2.gz GUAZSCQOPNJNCY-YDHLFZDLSA-N 1 1 397.928 3.529 20 5 GHBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183983144 868859607 /nfs/dbraw/zinc/85/96/07/868859607.db2.gz RZLOCVRBAPLRAA-YJBOKZPZSA-N 1 1 385.439 3.618 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000539412395 869087181 /nfs/dbraw/zinc/08/71/81/869087181.db2.gz DHSHICIFUBJEOU-INIZCTEOSA-N 1 1 396.491 3.897 20 5 GHBDMO C[C@@H]1C[N@@H+](CCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000491262454 869276763 /nfs/dbraw/zinc/27/67/63/869276763.db2.gz YRMWXGOAUXQXDA-KGVIQGDOSA-N 1 1 383.492 3.773 20 5 GHBDMO C[C@@H]1C[N@H+](CCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000491262454 869276774 /nfs/dbraw/zinc/27/67/74/869276774.db2.gz YRMWXGOAUXQXDA-KGVIQGDOSA-N 1 1 383.492 3.773 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] ZINC000793603425 882309850 /nfs/dbraw/zinc/30/98/50/882309850.db2.gz AMNKJFMOTDAXLL-HXUWFJFHSA-N 1 1 375.469 3.736 20 5 GHBDMO CC[C@@]1(O)CC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000428437867 869661103 /nfs/dbraw/zinc/66/11/03/869661103.db2.gz UPTCOEMNFJIYRE-OAQYLSRUSA-N 1 1 386.448 3.529 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945283 869912585 /nfs/dbraw/zinc/91/25/85/869912585.db2.gz UQGBRRLUABTRFS-KRWDZBQOSA-N 1 1 393.484 3.823 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945283 869912591 /nfs/dbraw/zinc/91/25/91/869912591.db2.gz UQGBRRLUABTRFS-KRWDZBQOSA-N 1 1 393.484 3.823 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000539927347 870020414 /nfs/dbraw/zinc/02/04/14/870020414.db2.gz NOAIMVUNYAVTPD-AWEZNQCLSA-N 1 1 394.468 3.556 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000539927347 870020432 /nfs/dbraw/zinc/02/04/32/870020432.db2.gz NOAIMVUNYAVTPD-AWEZNQCLSA-N 1 1 394.468 3.556 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1F)C1CC1 ZINC001192616920 870566381 /nfs/dbraw/zinc/56/63/81/870566381.db2.gz OWPNKLSACQDTFL-LJQANCHMSA-N 1 1 391.374 3.561 20 5 GHBDMO CN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746390592 870597262 /nfs/dbraw/zinc/59/72/62/870597262.db2.gz MIIHMGWZLVFKEU-SFHVURJKSA-N 1 1 394.475 3.580 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000766431539 870760278 /nfs/dbraw/zinc/76/02/78/870760278.db2.gz UTIMPOIKZVUIPO-UHFFFAOYSA-N 1 1 392.525 3.779 20 5 GHBDMO C[C@@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000617813003 870928988 /nfs/dbraw/zinc/92/89/88/870928988.db2.gz RRCRCLZFVGROBX-OAHLLOKOSA-N 1 1 394.431 3.629 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000538942967 870949752 /nfs/dbraw/zinc/94/97/52/870949752.db2.gz CXNKRQOVHCLUAU-UHFFFAOYSA-N 1 1 382.416 3.664 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000538942967 870949770 /nfs/dbraw/zinc/94/97/70/870949770.db2.gz CXNKRQOVHCLUAU-UHFFFAOYSA-N 1 1 382.416 3.664 20 5 GHBDMO Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c(C)n1 ZINC000775592665 871062036 /nfs/dbraw/zinc/06/20/36/871062036.db2.gz XBXVASAZCACBNS-UHFFFAOYSA-N 1 1 394.397 3.948 20 5 GHBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181488739 871075634 /nfs/dbraw/zinc/07/56/34/871075634.db2.gz UIKYTBYUSZLDNN-QWHCGFSZSA-N 1 1 399.413 3.996 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CCCC[N@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169011558 871094450 /nfs/dbraw/zinc/09/44/50/871094450.db2.gz KYAYDTCZINXGSL-SJORKVTESA-N 1 1 381.517 3.687 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169013712 871098158 /nfs/dbraw/zinc/09/81/58/871098158.db2.gz WANPGLIAWGZIFV-UWVAXJGDSA-N 1 1 381.517 3.687 20 5 GHBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000540402260 871184508 /nfs/dbraw/zinc/18/45/08/871184508.db2.gz GWTBVYAIHCMMHP-CQSZACIVSA-N 1 1 384.411 3.897 20 5 GHBDMO CCC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)cc1F ZINC000181666909 871362870 /nfs/dbraw/zinc/36/28/70/871362870.db2.gz MGXHAPKWPITYKQ-MRXNPFEDSA-N 1 1 393.390 3.951 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1)CC(C)C ZINC000476612529 882527119 /nfs/dbraw/zinc/52/71/19/882527119.db2.gz ZLHYNMBVXIAONJ-UHFFFAOYSA-N 1 1 391.512 3.824 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001169537859 871615027 /nfs/dbraw/zinc/61/50/27/871615027.db2.gz BYPHSTVFUIEOMT-YJBOKZPZSA-N 1 1 399.516 3.957 20 5 GHBDMO COc1cc(C[N@H+](CCO)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000181987526 871710494 /nfs/dbraw/zinc/71/04/94/871710494.db2.gz YZKZLSJHOOWNMF-UHFFFAOYSA-N 1 1 396.390 3.508 20 5 GHBDMO COc1cc(C[N@@H+](CCO)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000181987526 871710510 /nfs/dbraw/zinc/71/05/10/871710510.db2.gz YZKZLSJHOOWNMF-UHFFFAOYSA-N 1 1 396.390 3.508 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462169514 871730684 /nfs/dbraw/zinc/73/06/84/871730684.db2.gz GZEYXDNYMBOOIS-HNAYVOBHSA-N 1 1 399.516 3.957 20 5 GHBDMO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(F)ccc1F ZINC000539359891 871820888 /nfs/dbraw/zinc/82/08/88/871820888.db2.gz KCIMQPJBOLVCSW-MSOLQXFVSA-N 1 1 375.375 3.719 20 5 GHBDMO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(F)ccc1F ZINC000539359894 871822149 /nfs/dbraw/zinc/82/21/49/871822149.db2.gz KCIMQPJBOLVCSW-ROUUACIJSA-N 1 1 375.375 3.719 20 5 GHBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169772103 871860047 /nfs/dbraw/zinc/86/00/47/871860047.db2.gz SBQRDQPHBJHITM-KRWDZBQOSA-N 1 1 399.285 3.769 20 5 GHBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169772103 871860059 /nfs/dbraw/zinc/86/00/59/871860059.db2.gz SBQRDQPHBJHITM-KRWDZBQOSA-N 1 1 399.285 3.769 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475712367 882579174 /nfs/dbraw/zinc/57/91/74/882579174.db2.gz YDFDJTBRJBJTLR-LPHOPBHVSA-N 1 1 398.459 3.600 20 5 GHBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000552223164 872242475 /nfs/dbraw/zinc/24/24/75/872242475.db2.gz AEEBMOGDZUIBFR-JXFKEZNVSA-N 1 1 379.464 3.532 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000619531630 872714841 /nfs/dbraw/zinc/71/48/41/872714841.db2.gz RTJJVFROPPOXKM-QGZVFWFLSA-N 1 1 384.354 3.620 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000478428009 872979523 /nfs/dbraw/zinc/97/95/23/872979523.db2.gz BWGPEJBEROUSQP-INIZCTEOSA-N 1 1 397.475 3.765 20 5 GHBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC001196573127 873231861 /nfs/dbraw/zinc/23/18/61/873231861.db2.gz FJENDVDVZVAKBZ-FQEVSTJZSA-N 1 1 383.448 3.789 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001196841758 873399118 /nfs/dbraw/zinc/39/91/18/873399118.db2.gz KJGUGAFECFQDKX-KRWDZBQOSA-N 1 1 377.485 3.907 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001197169053 873636276 /nfs/dbraw/zinc/63/62/76/873636276.db2.gz VAUFRBYUMUWGGA-YOEHRIQHSA-N 1 1 393.459 3.955 20 5 GHBDMO C[C@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)C1 ZINC000768865397 873667899 /nfs/dbraw/zinc/66/78/99/873667899.db2.gz AFIAPFCTSWSLBE-ZDUSSCGKSA-N 1 1 395.506 3.689 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)C1 ZINC000768865397 873667903 /nfs/dbraw/zinc/66/79/03/873667903.db2.gz AFIAPFCTSWSLBE-ZDUSSCGKSA-N 1 1 395.506 3.689 20 5 GHBDMO C[N@@H+](CCOC(=O)CSc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000769045590 873758828 /nfs/dbraw/zinc/75/88/28/873758828.db2.gz QJVYSKFWACRYHI-UHFFFAOYSA-N 1 1 378.425 3.501 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001197558977 873899263 /nfs/dbraw/zinc/89/92/63/873899263.db2.gz ICQRONBRALEDLK-CYBMUJFWSA-N 1 1 376.844 3.890 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001197760766 873999438 /nfs/dbraw/zinc/99/94/38/873999438.db2.gz XEQXHZZCGKYAIW-CHWSQXEVSA-N 1 1 399.438 3.856 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001197760766 873999444 /nfs/dbraw/zinc/99/94/44/873999444.db2.gz XEQXHZZCGKYAIW-CHWSQXEVSA-N 1 1 399.438 3.856 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000494674491 882791485 /nfs/dbraw/zinc/79/14/85/882791485.db2.gz PXQNOXDYVBJAQE-AYHJJNSGSA-N 1 1 395.459 3.529 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000541718129 874161637 /nfs/dbraw/zinc/16/16/37/874161637.db2.gz KLNSYKCHKOBILH-IBGZPJMESA-N 1 1 375.469 3.513 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000448951375 874244755 /nfs/dbraw/zinc/24/47/55/874244755.db2.gz PMTGQIRARCNTFC-UHFFFAOYSA-N 1 1 397.475 3.714 20 5 GHBDMO C[C@@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449008354 874348192 /nfs/dbraw/zinc/34/81/92/874348192.db2.gz CQWDATRMMPKQQP-HNNXBMFYSA-N 1 1 388.489 3.766 20 5 GHBDMO C[C@@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449008354 874348205 /nfs/dbraw/zinc/34/82/05/874348205.db2.gz CQWDATRMMPKQQP-HNNXBMFYSA-N 1 1 388.489 3.766 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)nc1 ZINC000449031838 874372121 /nfs/dbraw/zinc/37/21/21/874372121.db2.gz WOYVAUVNDKYVSI-ZDUSSCGKSA-N 1 1 399.451 3.939 20 5 GHBDMO Cc1ccc(CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]2CCCO2)cc1 ZINC000464774763 874466776 /nfs/dbraw/zinc/46/67/76/874466776.db2.gz IPQHUUMHNSYLTQ-LJQANCHMSA-N 1 1 397.475 3.565 20 5 GHBDMO Cc1ccc(CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]2CCCO2)cc1 ZINC000464774763 874466777 /nfs/dbraw/zinc/46/67/77/874466777.db2.gz IPQHUUMHNSYLTQ-LJQANCHMSA-N 1 1 397.475 3.565 20 5 GHBDMO CCN(C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000464785566 874494073 /nfs/dbraw/zinc/49/40/73/874494073.db2.gz QECZXDIUVSBBGI-UHFFFAOYSA-N 1 1 389.496 3.619 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775883552 874533959 /nfs/dbraw/zinc/53/39/59/874533959.db2.gz DGMWHPSBPLEDJO-UHFFFAOYSA-N 1 1 396.491 3.787 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001198706559 874598422 /nfs/dbraw/zinc/59/84/22/874598422.db2.gz QGJNALROBQCUSQ-GDBMZVCRSA-N 1 1 375.469 3.833 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000770377596 874618718 /nfs/dbraw/zinc/61/87/18/874618718.db2.gz CFVKWUMKWFQMBH-OWWQLCIYSA-N 1 1 375.469 3.986 20 5 GHBDMO Cc1cccc(NC2CC[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c1 ZINC000153052249 874771039 /nfs/dbraw/zinc/77/10/39/874771039.db2.gz VZMUHXGFWJJAQW-NRFANRHFSA-N 1 1 394.475 3.585 20 5 GHBDMO COc1ccc(C[N@H+](C2CC2)C2COC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000449353036 874774214 /nfs/dbraw/zinc/77/42/14/874774214.db2.gz ZNNLZCYZDIBBFQ-UHFFFAOYSA-N 1 1 384.432 3.546 20 5 GHBDMO COc1ccc(C[N@@H+](C2CC2)C2COC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000449353036 874774224 /nfs/dbraw/zinc/77/42/24/874774224.db2.gz ZNNLZCYZDIBBFQ-UHFFFAOYSA-N 1 1 384.432 3.546 20 5 GHBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)C(N)=O ZINC000449408350 874828365 /nfs/dbraw/zinc/82/83/65/874828365.db2.gz JCSFNKRVMMDDQU-OAHLLOKOSA-N 1 1 385.464 3.968 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000449467349 874923924 /nfs/dbraw/zinc/92/39/24/874923924.db2.gz IWDLWEPGIGWBEK-YVWKXTFCSA-N 1 1 386.448 3.989 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000449559727 875048430 /nfs/dbraw/zinc/04/84/30/875048430.db2.gz YXCACJAIMLBKQR-BZUAXINKSA-N 1 1 386.448 3.846 20 5 GHBDMO COc1cc(C[NH2+]Cc2cnc(C)cc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000449735686 875319606 /nfs/dbraw/zinc/31/96/06/875319606.db2.gz RYSJSSLXCSTITD-UHFFFAOYSA-N 1 1 381.379 3.549 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000460723080 875821255 /nfs/dbraw/zinc/82/12/55/875821255.db2.gz DRNHBSRSHGPGML-KRWDZBQOSA-N 1 1 381.476 3.686 20 5 GHBDMO CCc1ccc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC001170040900 875862346 /nfs/dbraw/zinc/86/23/46/875862346.db2.gz ZHLMBMLRGZMHLY-GOSISDBHSA-N 1 1 397.475 3.984 20 5 GHBDMO CCc1ccc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC001170040900 875862356 /nfs/dbraw/zinc/86/23/56/875862356.db2.gz ZHLMBMLRGZMHLY-GOSISDBHSA-N 1 1 397.475 3.984 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)nc1 ZINC000492051642 876129758 /nfs/dbraw/zinc/12/97/58/876129758.db2.gz WKYRJTBFUQCLPM-CQSZACIVSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)nc1 ZINC000492051642 876129762 /nfs/dbraw/zinc/12/97/62/876129762.db2.gz WKYRJTBFUQCLPM-CQSZACIVSA-N 1 1 388.855 3.802 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000450371936 876346259 /nfs/dbraw/zinc/34/62/59/876346259.db2.gz LFAKDNUPXVOXPE-CALCHBBNSA-N 1 1 398.507 3.859 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1)C1CC1 ZINC000450406336 876387557 /nfs/dbraw/zinc/38/75/57/876387557.db2.gz QNLCLXJMYHMSIN-UHFFFAOYSA-N 1 1 395.459 3.833 20 5 GHBDMO Nc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000786573674 876806582 /nfs/dbraw/zinc/80/65/82/876806582.db2.gz CNJTXHZKHBICRL-UHFFFAOYSA-N 1 1 394.397 3.908 20 5 GHBDMO CC[N@@H+](CCC1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000804590287 883068360 /nfs/dbraw/zinc/06/83/60/883068360.db2.gz DADOPNZEZRVWLU-UHFFFAOYSA-N 1 1 376.457 3.841 20 5 GHBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000610003399 877277108 /nfs/dbraw/zinc/27/71/08/877277108.db2.gz BJNYMDYPQPRQFB-NRFANRHFSA-N 1 1 396.491 3.619 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000746672076 877320652 /nfs/dbraw/zinc/32/06/52/877320652.db2.gz GKBVIYYPDFGZJR-SWLSCSKDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000746672076 877320667 /nfs/dbraw/zinc/32/06/67/877320667.db2.gz GKBVIYYPDFGZJR-SWLSCSKDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000610121932 877435427 /nfs/dbraw/zinc/43/54/27/877435427.db2.gz JELBCDREAMLSLT-KRWDZBQOSA-N 1 1 399.516 3.810 20 5 GHBDMO COc1cc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])c(SC)cc1OC ZINC000610161231 877466706 /nfs/dbraw/zinc/46/67/06/877466706.db2.gz USEDWKVXNNGENK-UHFFFAOYSA-N 1 1 392.477 3.845 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451347697 877797261 /nfs/dbraw/zinc/79/72/61/877797261.db2.gz UMRLYLPMHURXHH-KBEZCGTCSA-N 1 1 395.887 3.591 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451347697 877797280 /nfs/dbraw/zinc/79/72/80/877797280.db2.gz UMRLYLPMHURXHH-KBEZCGTCSA-N 1 1 395.887 3.591 20 5 GHBDMO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000851980204 878012896 /nfs/dbraw/zinc/01/28/96/878012896.db2.gz QMQWHTRBDBBJII-OAQYLSRUSA-N 1 1 398.438 3.686 20 5 GHBDMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000851980204 878012914 /nfs/dbraw/zinc/01/29/14/878012914.db2.gz QMQWHTRBDBBJII-OAQYLSRUSA-N 1 1 398.438 3.686 20 5 GHBDMO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549705 878127539 /nfs/dbraw/zinc/12/75/39/878127539.db2.gz QHZXWQQKEFSEPD-NVXWUHKLSA-N 1 1 378.436 3.511 20 5 GHBDMO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549705 878127549 /nfs/dbraw/zinc/12/75/49/878127549.db2.gz QHZXWQQKEFSEPD-NVXWUHKLSA-N 1 1 378.436 3.511 20 5 GHBDMO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451578743 878187315 /nfs/dbraw/zinc/18/73/15/878187315.db2.gz XMCAOXLAXDXQGW-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451578743 878187322 /nfs/dbraw/zinc/18/73/22/878187322.db2.gz XMCAOXLAXDXQGW-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000776586211 878232535 /nfs/dbraw/zinc/23/25/35/878232535.db2.gz KTGRXOIUYSGXKI-AKIFATBCSA-N 1 1 395.503 3.615 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(CSC(F)F)o3)C2)nc1 ZINC000093534697 912325528 /nfs/dbraw/zinc/32/55/28/912325528.db2.gz RGMNNWZXXVGUEG-NSHDSACASA-N 1 1 384.408 3.725 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)nc1 ZINC000093534697 912325550 /nfs/dbraw/zinc/32/55/50/912325550.db2.gz RGMNNWZXXVGUEG-NSHDSACASA-N 1 1 384.408 3.725 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593727 878303385 /nfs/dbraw/zinc/30/33/85/878303385.db2.gz WVSNHZDCLWLZBY-WOJBJXKFSA-N 1 1 380.448 3.742 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593727 878303400 /nfs/dbraw/zinc/30/34/00/878303400.db2.gz WVSNHZDCLWLZBY-WOJBJXKFSA-N 1 1 380.448 3.742 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000537808454 878322004 /nfs/dbraw/zinc/32/20/04/878322004.db2.gz ASOCYEDNEWBNAW-HUUCEWRRSA-N 1 1 385.489 3.911 20 5 GHBDMO O=C(N1CCC[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000852472232 878347922 /nfs/dbraw/zinc/34/79/22/878347922.db2.gz ASYVKCWYQJJMGZ-DOTOQJQBSA-N 1 1 399.413 3.750 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000180126268 878534443 /nfs/dbraw/zinc/53/44/43/878534443.db2.gz GPXPGRIHUGFQCW-OAHLLOKOSA-N 1 1 377.466 3.721 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000538236342 879099743 /nfs/dbraw/zinc/09/97/43/879099743.db2.gz KHZASVKAUPQVKA-HUUCEWRRSA-N 1 1 379.526 3.946 20 5 GHBDMO C[N@@H+](C[C@H]1CCc2ccccc21)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853609766 879164113 /nfs/dbraw/zinc/16/41/13/879164113.db2.gz MGZJACMEBYACLP-WIYYLYMNSA-N 1 1 379.460 3.530 20 5 GHBDMO Cc1cc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000538551109 879699827 /nfs/dbraw/zinc/69/98/27/879699827.db2.gz CYKAGERNXLYZSR-HOTGVXAUSA-N 1 1 383.448 3.765 20 5 GHBDMO C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000790563971 879821657 /nfs/dbraw/zinc/82/16/57/879821657.db2.gz KENMURQBIHBJKN-QWHCGFSZSA-N 1 1 397.878 3.699 20 5 GHBDMO Nc1ccc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000854496478 879853293 /nfs/dbraw/zinc/85/32/93/879853293.db2.gz GSAFMXYRMDMWRW-AWEZNQCLSA-N 1 1 383.452 3.622 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000531690282 880293776 /nfs/dbraw/zinc/29/37/76/880293776.db2.gz JZFNIVALJAETHY-NSHDSACASA-N 1 1 379.342 3.816 20 5 GHBDMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520236583 880411927 /nfs/dbraw/zinc/41/19/27/880411927.db2.gz IGDPPIHXMZJXCB-UHFFFAOYSA-N 1 1 378.429 3.819 20 5 GHBDMO CCc1ccc([C@H]([NH2+]C[C@H](O)COc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542478381 880495381 /nfs/dbraw/zinc/49/53/81/880495381.db2.gz SZEXBSPSKPXVRF-PGRDOPGGSA-N 1 1 396.443 3.869 20 5 GHBDMO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170296676 881317269 /nfs/dbraw/zinc/31/72/69/881317269.db2.gz HMWATFKTFJGKCH-MJGOQNOKSA-N 1 1 383.492 3.646 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000609613918 883456248 /nfs/dbraw/zinc/45/62/48/883456248.db2.gz YGRVIQRVKKSDDS-IAGOWNOFSA-N 1 1 399.495 3.731 20 5 GHBDMO O=[N+]([O-])c1c(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc2ccccn21 ZINC000747225677 883539325 /nfs/dbraw/zinc/53/93/25/883539325.db2.gz CBKCCKTUJYHMTE-QFIPXVFZSA-N 1 1 391.475 3.735 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1)[NH+]1CCOCC1 ZINC000859234344 883686211 /nfs/dbraw/zinc/68/62/11/883686211.db2.gz OJSSEXDXHNPKPP-CYBMUJFWSA-N 1 1 389.839 3.894 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000026230512 884217171 /nfs/dbraw/zinc/21/71/71/884217171.db2.gz QWEIYOMKLGWRJL-IBGZPJMESA-N 1 1 399.447 3.778 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000152584590 884289995 /nfs/dbraw/zinc/28/99/95/884289995.db2.gz CYZLWLJRECSTTJ-JTQLQIEISA-N 1 1 397.353 3.700 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000495024222 884384423 /nfs/dbraw/zinc/38/44/23/884384423.db2.gz CJSFEUUDEVMSEA-TUKIKUTGSA-N 1 1 386.477 3.633 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000495024222 884384445 /nfs/dbraw/zinc/38/44/45/884384445.db2.gz CJSFEUUDEVMSEA-TUKIKUTGSA-N 1 1 386.477 3.633 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747311294 884534830 /nfs/dbraw/zinc/53/48/30/884534830.db2.gz KYUQOKSKWFLBGE-QFIPXVFZSA-N 1 1 397.450 3.862 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](Cc3nc(C)cs3)C2)c1[N+](=O)[O-] ZINC001183855616 912857693 /nfs/dbraw/zinc/85/76/93/912857693.db2.gz RDCYJLOBYKCODQ-CYBMUJFWSA-N 1 1 377.466 3.529 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc([C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cn1 ZINC000761918541 884975367 /nfs/dbraw/zinc/97/53/67/884975367.db2.gz OLLIQEGSGSZOOB-LLVKDONJSA-N 1 1 394.366 3.825 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000761915466 884994627 /nfs/dbraw/zinc/99/46/27/884994627.db2.gz FQLGFOGLVYLHFO-UHFFFAOYSA-N 1 1 390.403 3.860 20 5 GHBDMO COc1cc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000556517667 885224314 /nfs/dbraw/zinc/22/43/14/885224314.db2.gz BUGHYXLKJXKFNX-UHFFFAOYSA-N 1 1 396.394 3.616 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000542550273 885273341 /nfs/dbraw/zinc/27/33/41/885273341.db2.gz ILBIDMGDLNAECQ-CKJXQJPGSA-N 1 1 399.466 3.864 20 5 GHBDMO CCCn1ccnc1CCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000762072369 885311518 /nfs/dbraw/zinc/31/15/18/885311518.db2.gz BDVPKURFOOGXCS-UHFFFAOYSA-N 1 1 390.875 3.727 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@]4(C3)OCc3ccccc34)c2)cc1 ZINC000774706424 912951887 /nfs/dbraw/zinc/95/18/87/912951887.db2.gz VNDRMNXRBNHWGP-JOCHJYFZSA-N 1 1 390.443 3.937 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCC[C@]4(C3)OCc3ccccc34)c2)cc1 ZINC000774706424 912951897 /nfs/dbraw/zinc/95/18/97/912951897.db2.gz VNDRMNXRBNHWGP-JOCHJYFZSA-N 1 1 390.443 3.937 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])c1 ZINC000762557519 886386888 /nfs/dbraw/zinc/38/68/88/886386888.db2.gz GNDUSJRUFGZWOW-UHFFFAOYSA-N 1 1 396.447 3.996 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000556868166 886419887 /nfs/dbraw/zinc/41/98/87/886419887.db2.gz PNGHDBUCZFZNIU-LJQANCHMSA-N 1 1 380.448 3.865 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000808794243 886789976 /nfs/dbraw/zinc/78/99/76/886789976.db2.gz HUXGKFHRQMNVFX-LJQANCHMSA-N 1 1 378.831 3.814 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000808794243 886789989 /nfs/dbraw/zinc/78/99/89/886789989.db2.gz HUXGKFHRQMNVFX-LJQANCHMSA-N 1 1 378.831 3.814 20 5 GHBDMO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000863303542 887017709 /nfs/dbraw/zinc/01/77/09/887017709.db2.gz VPDWQQOKOLZXIA-XJKSGUPXSA-N 1 1 388.468 3.510 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000863303542 887017727 /nfs/dbraw/zinc/01/77/27/887017727.db2.gz VPDWQQOKOLZXIA-XJKSGUPXSA-N 1 1 388.468 3.510 20 5 GHBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272346748 887150343 /nfs/dbraw/zinc/15/03/43/887150343.db2.gz QGNSGJNQQJGQAX-PXNSSMCTSA-N 1 1 381.476 3.554 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000193772424 887445284 /nfs/dbraw/zinc/44/52/84/887445284.db2.gz VQYSELQYOPWINX-INIZCTEOSA-N 1 1 385.489 3.569 20 5 GHBDMO CSc1cccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000193783631 887483971 /nfs/dbraw/zinc/48/39/71/887483971.db2.gz ZJGFSXIIARYXFC-MRXNPFEDSA-N 1 1 385.489 3.569 20 5 GHBDMO CC(C)(C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000763010249 887550871 /nfs/dbraw/zinc/55/08/71/887550871.db2.gz BHUVNACNLVBBBS-QGZVFWFLSA-N 1 1 386.423 3.829 20 5 GHBDMO Cc1csc(CCCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000272474441 887562444 /nfs/dbraw/zinc/56/24/44/887562444.db2.gz BAODNEWDZHGYEN-GOSISDBHSA-N 1 1 385.493 3.795 20 5 GHBDMO CCOC(=O)c1ccnc(N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1[N+](=O)[O-] ZINC000153325164 887646839 /nfs/dbraw/zinc/64/68/39/887646839.db2.gz HEFHJROFSMGYPN-ZDUSSCGKSA-N 1 1 395.419 3.834 20 5 GHBDMO C[N@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794623686 887689620 /nfs/dbraw/zinc/68/96/20/887689620.db2.gz ORZBVVGVIWXFPZ-OXQOHEQNSA-N 1 1 397.431 3.560 20 5 GHBDMO C[N@@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794623686 887689628 /nfs/dbraw/zinc/68/96/28/887689628.db2.gz ORZBVVGVIWXFPZ-OXQOHEQNSA-N 1 1 397.431 3.560 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000794636477 887703198 /nfs/dbraw/zinc/70/31/98/887703198.db2.gz IOZSWEIUVJWXOK-CQSZACIVSA-N 1 1 385.445 3.574 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000794636477 887703205 /nfs/dbraw/zinc/70/32/05/887703205.db2.gz IOZSWEIUVJWXOK-CQSZACIVSA-N 1 1 385.445 3.574 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001131838966 887752415 /nfs/dbraw/zinc/75/24/15/887752415.db2.gz OMGJGFJSPKXREB-MRXNPFEDSA-N 1 1 383.448 3.513 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000026713129 887757739 /nfs/dbraw/zinc/75/77/39/887757739.db2.gz SKZPTGNHRZVBNE-LJQANCHMSA-N 1 1 382.416 3.630 20 5 GHBDMO CCC(CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[NH+]1CCOCC1 ZINC000809914864 887937737 /nfs/dbraw/zinc/93/77/37/887937737.db2.gz OVDPOFAHDJNPLV-MRXNPFEDSA-N 1 1 398.891 3.507 20 5 GHBDMO CC(C)Oc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001132075723 888172529 /nfs/dbraw/zinc/17/25/29/888172529.db2.gz WEDLEUMMAYSPGS-KRWDZBQOSA-N 1 1 397.475 3.901 20 5 GHBDMO CCNc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001132390709 888782441 /nfs/dbraw/zinc/78/24/41/888782441.db2.gz NDMMBFZDBJJDAC-IBGZPJMESA-N 1 1 396.491 3.811 20 5 GHBDMO COc1ccccc1[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nccn1C ZINC000866224644 888786768 /nfs/dbraw/zinc/78/67/68/888786768.db2.gz BPNQAEZVZJVRAN-VLIAUNLRSA-N 1 1 398.438 3.786 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454325029 888855470 /nfs/dbraw/zinc/85/54/70/888855470.db2.gz WHHQIUJAFVXCQZ-INIZCTEOSA-N 1 1 384.480 3.995 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccccc1Br ZINC000796110681 913286250 /nfs/dbraw/zinc/28/62/50/913286250.db2.gz BATKASLKANJESJ-QGZVFWFLSA-N 1 1 379.254 3.565 20 5 GHBDMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000916451991 889016098 /nfs/dbraw/zinc/01/60/98/889016098.db2.gz OTRXAPOSFSGTCH-LAPNMUGCSA-N 1 1 395.459 3.856 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000532923062 889288816 /nfs/dbraw/zinc/28/88/16/889288816.db2.gz KTYGKKVEGWWBLT-UHFFFAOYSA-N 1 1 397.475 3.892 20 5 GHBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811514485 889708380 /nfs/dbraw/zinc/70/83/80/889708380.db2.gz LPOWMWDNVHOMDO-AWEZNQCLSA-N 1 1 387.402 3.609 20 5 GHBDMO O=C(C[NH+]1CCC(c2ccccc2F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533300224 890243019 /nfs/dbraw/zinc/24/30/19/890243019.db2.gz JHRGKKZXSFCTES-UHFFFAOYSA-N 1 1 383.423 3.503 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455094604 890323742 /nfs/dbraw/zinc/32/37/42/890323742.db2.gz OOBGODNVNGXWGP-TXPKVOOTSA-N 1 1 382.464 3.618 20 5 GHBDMO CC(C)[N@H+](C)CC1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000533408697 890479992 /nfs/dbraw/zinc/47/99/92/890479992.db2.gz HELDTECARUWGPU-HNNXBMFYSA-N 1 1 387.484 3.758 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000533408697 890480000 /nfs/dbraw/zinc/48/00/00/890480000.db2.gz HELDTECARUWGPU-HNNXBMFYSA-N 1 1 387.484 3.758 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 ZINC000533471531 890637403 /nfs/dbraw/zinc/63/74/03/890637403.db2.gz RWCFSSGDQWNNFC-HNNXBMFYSA-N 1 1 396.472 3.683 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCOc3ccc(Cl)cc3)C2)nc1 ZINC000533516130 890735522 /nfs/dbraw/zinc/73/55/22/890735522.db2.gz CVOXCDUNYBUYLF-OAHLLOKOSA-N 1 1 376.844 3.599 20 5 GHBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000917062338 890890636 /nfs/dbraw/zinc/89/06/36/890890636.db2.gz OSYVXAVXWSPRFP-SFHVURJKSA-N 1 1 394.475 3.564 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000533600236 890942965 /nfs/dbraw/zinc/94/29/65/890942965.db2.gz HWBSOJZOJDULHH-UHFFFAOYSA-N 1 1 380.448 3.717 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872281269 891225833 /nfs/dbraw/zinc/22/58/33/891225833.db2.gz ZENGOTADFOBMRW-SFHVURJKSA-N 1 1 375.469 3.655 20 5 GHBDMO Cc1[nH]c2ccccc2c1CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170243 891329757 /nfs/dbraw/zinc/32/97/57/891329757.db2.gz ADXXMASFGPXNJL-SFHVURJKSA-N 1 1 393.443 3.745 20 5 GHBDMO Cc1[nH]c2ccccc2c1CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170243 891329770 /nfs/dbraw/zinc/32/97/70/891329770.db2.gz ADXXMASFGPXNJL-SFHVURJKSA-N 1 1 393.443 3.745 20 5 GHBDMO O=C(Cc1cccc2cccnc21)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173741 891336628 /nfs/dbraw/zinc/33/66/28/891336628.db2.gz ICFSQKAKCUCKKA-FQEVSTJZSA-N 1 1 391.427 3.503 20 5 GHBDMO O=C(Cc1cccc2cccnc21)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173741 891336644 /nfs/dbraw/zinc/33/66/44/891336644.db2.gz ICFSQKAKCUCKKA-FQEVSTJZSA-N 1 1 391.427 3.503 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000814175955 892329728 /nfs/dbraw/zinc/32/97/28/892329728.db2.gz KWBADGZRTZTNSW-SJORKVTESA-N 1 1 375.469 3.735 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080075562 892616198 /nfs/dbraw/zinc/61/61/98/892616198.db2.gz XLPSRJNBYAVZJQ-INIZCTEOSA-N 1 1 376.501 3.784 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194533704 892918280 /nfs/dbraw/zinc/91/82/80/892918280.db2.gz YQBVNFORIPHPFP-GOSISDBHSA-N 1 1 397.475 3.588 20 5 GHBDMO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000498009354 892979828 /nfs/dbraw/zinc/97/98/28/892979828.db2.gz QFYXGSMYVLGZBV-PKOBYXMFSA-N 1 1 397.475 3.658 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]2C1 ZINC000814676613 893054202 /nfs/dbraw/zinc/05/42/02/893054202.db2.gz VZDIWCXRJVMUEP-CALCHBBNSA-N 1 1 375.469 3.674 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC000814677689 893061682 /nfs/dbraw/zinc/06/16/82/893061682.db2.gz DKGNEGUOKSGZSA-GASCZTMLSA-N 1 1 393.459 3.813 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878045919 893977014 /nfs/dbraw/zinc/97/70/14/893977014.db2.gz VQZZSJWDTDUCPC-MRXNPFEDSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878045919 893977022 /nfs/dbraw/zinc/97/70/22/893977022.db2.gz VQZZSJWDTDUCPC-MRXNPFEDSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459652493 893986519 /nfs/dbraw/zinc/98/65/19/893986519.db2.gz BYSQQDJDKHPIAQ-MRXNPFEDSA-N 1 1 388.386 3.784 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000935316232 894355796 /nfs/dbraw/zinc/35/57/96/894355796.db2.gz RVAUXWNVXKVPLE-KGLIPLIRSA-N 1 1 377.510 3.700 20 5 GHBDMO C[N@@H+]1CC=C(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000537257601 894673985 /nfs/dbraw/zinc/67/39/85/894673985.db2.gz WBAGWUGCOFPGLR-UHFFFAOYSA-N 1 1 382.420 3.771 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)c1 ZINC000878950710 894746397 /nfs/dbraw/zinc/74/63/97/894746397.db2.gz ZZNHQWRUUTWBDY-OAQYLSRUSA-N 1 1 394.431 3.817 20 5 GHBDMO COc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000816456642 894821876 /nfs/dbraw/zinc/82/18/76/894821876.db2.gz LMKXVDYHFLGDLT-KXBFYZLASA-N 1 1 384.432 3.671 20 5 GHBDMO COc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000816450640 894840423 /nfs/dbraw/zinc/84/04/23/894840423.db2.gz AQYXROYYOALQNM-BEFAXECRSA-N 1 1 384.432 3.671 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000302810331 914009662 /nfs/dbraw/zinc/00/96/62/914009662.db2.gz KICHNBPIIAGILO-WFASDCNBSA-N 1 1 375.450 3.829 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000302810331 914009680 /nfs/dbraw/zinc/00/96/80/914009680.db2.gz KICHNBPIIAGILO-WFASDCNBSA-N 1 1 375.450 3.829 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC4(CCC4)[C@H]3C3CCOCC3)c2)c1 ZINC000819902168 897044464 /nfs/dbraw/zinc/04/44/64/897044464.db2.gz MTQSVOOLAYQZFC-HXUWFJFHSA-N 1 1 382.464 3.697 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000289544809 914234667 /nfs/dbraw/zinc/23/46/67/914234667.db2.gz DWNMVUVORYXLIJ-WFASDCNBSA-N 1 1 378.860 3.729 20 5 GHBDMO CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000571197631 899777467 /nfs/dbraw/zinc/77/74/67/899777467.db2.gz ZIYSVLLWYYQCFG-GOSISDBHSA-N 1 1 389.402 3.715 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3cccc(F)c3[C@H]2C)c([N+](=O)[O-])c1 ZINC000572341652 900149847 /nfs/dbraw/zinc/14/98/47/900149847.db2.gz HDRUYJZAORGSPO-CYBMUJFWSA-N 1 1 387.411 3.690 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575166359 901148970 /nfs/dbraw/zinc/14/89/70/901148970.db2.gz FRGYWELMTYTHAY-UYAOXDASSA-N 1 1 381.476 3.557 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000845734270 902355275 /nfs/dbraw/zinc/35/52/75/902355275.db2.gz GNODYPAGQLIIAV-CQSZACIVSA-N 1 1 375.450 3.748 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000577854746 903273518 /nfs/dbraw/zinc/27/35/18/903273518.db2.gz YPDDGOBCPLPGBR-MRXNPFEDSA-N 1 1 389.521 3.927 20 5 GHBDMO CN(C(=O)CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000577869338 903289385 /nfs/dbraw/zinc/28/93/85/903289385.db2.gz FVLUTHQOMCYGEP-HXUWFJFHSA-N 1 1 399.516 3.955 20 5 GHBDMO O=C(CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000265297605 903785033 /nfs/dbraw/zinc/78/50/33/903785033.db2.gz FIBUURYIKSFUQW-UHFFFAOYSA-N 1 1 399.291 3.740 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000159689533 903895746 /nfs/dbraw/zinc/89/57/46/903895746.db2.gz NNDBLZGDURDKLY-MRXNPFEDSA-N 1 1 387.867 3.842 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578758042 904102771 /nfs/dbraw/zinc/10/27/71/904102771.db2.gz RKCCUEZWQRSWJK-HXUWFJFHSA-N 1 1 393.491 3.861 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OCc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000775058496 914868272 /nfs/dbraw/zinc/86/82/72/914868272.db2.gz UIJLSEUASMILSD-UHFFFAOYSA-N 1 1 389.383 3.823 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@@H](F)C(F)(F)CC3)CC2)c(F)c1 ZINC001173010170 906086283 /nfs/dbraw/zinc/08/62/83/906086283.db2.gz NNJBYALWKBOCLY-OAHLLOKOSA-N 1 1 393.356 3.911 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1F ZINC001173188904 906269421 /nfs/dbraw/zinc/26/94/21/906269421.db2.gz HSJXASQETITGHV-ZDUSSCGKSA-N 1 1 396.459 3.727 20 5 GHBDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173193481 906277619 /nfs/dbraw/zinc/27/76/19/906277619.db2.gz SNCVCWJZUCPLFN-ZDUSSCGKSA-N 1 1 390.411 3.592 20 5 GHBDMO COc1cccc(CC[N@@H+](C)[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173196507 906281804 /nfs/dbraw/zinc/28/18/04/906281804.db2.gz NCZWRSLEMIIYCI-CQSZACIVSA-N 1 1 376.428 3.857 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2nn(CC3CC3)cc21 ZINC001173222712 906302141 /nfs/dbraw/zinc/30/21/41/906302141.db2.gz USFDZLUVNUEFLS-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2nn(CC3CC3)cc21 ZINC001173222712 906302152 /nfs/dbraw/zinc/30/21/52/906302152.db2.gz USFDZLUVNUEFLS-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001173223836 906305750 /nfs/dbraw/zinc/30/57/50/906305750.db2.gz DBXGSKUZYHPKCU-YWZLYKJASA-N 1 1 385.489 3.716 20 5 GHBDMO CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173234176 906320899 /nfs/dbraw/zinc/32/08/99/906320899.db2.gz PGPNIPUXERLQCW-QAPCUYQASA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001173237739 906348344 /nfs/dbraw/zinc/34/83/44/906348344.db2.gz LSMDCSOZAQEJCZ-IWKCEXAMSA-N 1 1 389.496 3.761 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC(F)F ZINC000180452984 906773596 /nfs/dbraw/zinc/77/35/96/906773596.db2.gz TUBAAGKFBJNZBC-JTQLQIEISA-N 1 1 397.334 3.964 20 5 GHBDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180649791 906810004 /nfs/dbraw/zinc/81/00/04/906810004.db2.gz MHYGTIWNVGKMQS-OXJNMPFZSA-N 1 1 396.447 3.534 20 5 GHBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(N2CCOC2=O)c1 ZINC000181313281 906974200 /nfs/dbraw/zinc/97/42/00/906974200.db2.gz PGCKLBLQBVHTDP-GFCCVEGCSA-N 1 1 382.376 3.543 20 5 GHBDMO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000191450373 907015877 /nfs/dbraw/zinc/01/58/77/907015877.db2.gz SDNBOIAAVVRHAA-MRXNPFEDSA-N 1 1 375.450 3.608 20 5 GHBDMO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000191450373 907015892 /nfs/dbraw/zinc/01/58/92/907015892.db2.gz SDNBOIAAVVRHAA-MRXNPFEDSA-N 1 1 375.450 3.608 20 5 GHBDMO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175737243 907712967 /nfs/dbraw/zinc/71/29/67/907712967.db2.gz MGBMOCWXBMQCLR-UHFFFAOYSA-N 1 1 386.383 3.643 20 5 GHBDMO COC(=O)CC[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001175870836 907808342 /nfs/dbraw/zinc/80/83/42/907808342.db2.gz GSGIWMFMOJZKKP-GFCCVEGCSA-N 1 1 385.258 3.523 20 5 GHBDMO COC(=O)CC[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001175870836 907808348 /nfs/dbraw/zinc/80/83/48/907808348.db2.gz GSGIWMFMOJZKKP-GFCCVEGCSA-N 1 1 385.258 3.523 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001175924553 907829917 /nfs/dbraw/zinc/82/99/17/907829917.db2.gz DGSKKDZCVGWBQN-PBHICJAKSA-N 1 1 387.411 3.523 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001175924553 907829935 /nfs/dbraw/zinc/82/99/35/907829935.db2.gz DGSKKDZCVGWBQN-PBHICJAKSA-N 1 1 387.411 3.523 20 5 GHBDMO CO[C@@H]1CC[C@H]1[N@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC001176908806 908316013 /nfs/dbraw/zinc/31/60/13/908316013.db2.gz IDTCYXUFLCLCJP-MISYRCLQSA-N 1 1 383.448 3.692 20 5 GHBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC001176908806 908316026 /nfs/dbraw/zinc/31/60/26/908316026.db2.gz IDTCYXUFLCLCJP-MISYRCLQSA-N 1 1 383.448 3.692 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)nc2c1 ZINC000192134898 908726614 /nfs/dbraw/zinc/72/66/14/908726614.db2.gz CCMLMKQQWQAGOL-KDOFPFPSSA-N 1 1 375.331 3.634 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]3/C=C/c3ccccc3)n2)c1 ZINC000779886276 909060311 /nfs/dbraw/zinc/06/03/11/909060311.db2.gz BUSUBQSDNSJXGB-TZZQJPOUSA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@@H]3/C=C/c3ccccc3)n2)c1 ZINC000779886276 909060328 /nfs/dbraw/zinc/06/03/28/909060328.db2.gz BUSUBQSDNSJXGB-TZZQJPOUSA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(OC(F)F)c1 ZINC000795208932 909329441 /nfs/dbraw/zinc/32/94/41/909329441.db2.gz QYXSMKJGKNKVIO-IYBDPMFKSA-N 1 1 389.402 3.764 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1C ZINC001179898396 909781983 /nfs/dbraw/zinc/78/19/83/909781983.db2.gz MTXFVISRSPQCNF-GHMZBOCLSA-N 1 1 376.320 3.723 20 5 GHBDMO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269681591 910333059 /nfs/dbraw/zinc/33/30/59/910333059.db2.gz MEYDVCRKGKWYML-BLLLJJGKSA-N 1 1 397.397 3.703 20 5 GHBDMO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@](C)(O)c1ccccc1 ZINC001182488741 911838937 /nfs/dbraw/zinc/83/89/37/911838937.db2.gz DPHNUJKKBWRUOC-HNNXBMFYSA-N 1 1 385.283 3.758 20 5 GHBDMO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@](C)(O)c1ccccc1 ZINC001182488741 911838950 /nfs/dbraw/zinc/83/89/50/911838950.db2.gz DPHNUJKKBWRUOC-HNNXBMFYSA-N 1 1 385.283 3.758 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000802008673 921744834 /nfs/dbraw/zinc/74/48/34/921744834.db2.gz NJIKVUDPGWUGFG-HXUWFJFHSA-N 1 1 375.469 3.818 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000303937427 915324245 /nfs/dbraw/zinc/32/42/45/915324245.db2.gz RWYXXPZWWIVRDP-UHFFFAOYSA-N 1 1 387.436 3.970 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000303937427 915324266 /nfs/dbraw/zinc/32/42/66/915324266.db2.gz RWYXXPZWWIVRDP-UHFFFAOYSA-N 1 1 387.436 3.970 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000303940617 915328237 /nfs/dbraw/zinc/32/82/37/915328237.db2.gz YLTNDNYNDUWUBA-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO Cn1c[nH+]cc1C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1 ZINC001187904921 915586354 /nfs/dbraw/zinc/58/63/54/915586354.db2.gz UBAICWKZWOTAOL-UHFFFAOYSA-N 1 1 390.443 3.943 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000360341023 916068997 /nfs/dbraw/zinc/06/89/97/916068997.db2.gz BRKLQUHJWZRCJU-HOCLYGCPSA-N 1 1 379.420 3.665 20 5 GHBDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000294086773 916576498 /nfs/dbraw/zinc/57/64/98/916576498.db2.gz LOBPRAVMDGCJRQ-GOSISDBHSA-N 1 1 385.468 3.675 20 5 GHBDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000294086773 916576505 /nfs/dbraw/zinc/57/65/05/916576505.db2.gz LOBPRAVMDGCJRQ-GOSISDBHSA-N 1 1 385.468 3.675 20 5 GHBDMO Cc1ccccc1[C@H](O)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000796410796 916647612 /nfs/dbraw/zinc/64/76/12/916647612.db2.gz YWAABPVEHJRHBX-OAQYLSRUSA-N 1 1 398.459 3.715 20 5 GHBDMO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)nc1 ZINC000363103098 917776277 /nfs/dbraw/zinc/77/62/77/917776277.db2.gz CGNRVHKABLFGIH-UHFFFAOYSA-N 1 1 379.420 3.721 20 5 GHBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001191744145 918193096 /nfs/dbraw/zinc/19/30/96/918193096.db2.gz ZDAHOOFPKRXIBF-JKSUJKDBSA-N 1 1 383.876 3.712 20 5 GHBDMO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114477358 919390984 /nfs/dbraw/zinc/39/09/84/919390984.db2.gz GGQMHXSKLOLART-UHFFFAOYSA-N 1 1 383.496 3.883 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1Br ZINC000801526436 921097434 /nfs/dbraw/zinc/09/74/34/921097434.db2.gz PECMEELGSUXSFV-ZFWWWQNUSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1Br ZINC000801526436 921097442 /nfs/dbraw/zinc/09/74/42/921097442.db2.gz PECMEELGSUXSFV-ZFWWWQNUSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)cs2)c1 ZINC000367477809 922129969 /nfs/dbraw/zinc/12/99/69/922129969.db2.gz UKICUIZZWKZOKJ-CQSZACIVSA-N 1 1 397.460 3.968 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)cs2)c1 ZINC000367477809 922129983 /nfs/dbraw/zinc/12/99/83/922129983.db2.gz UKICUIZZWKZOKJ-CQSZACIVSA-N 1 1 397.460 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000802656950 922316205 /nfs/dbraw/zinc/31/62/05/922316205.db2.gz UXDLJRSNHWYADY-HXUWFJFHSA-N 1 1 392.402 3.722 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000802656950 922316217 /nfs/dbraw/zinc/31/62/17/922316217.db2.gz UXDLJRSNHWYADY-HXUWFJFHSA-N 1 1 392.402 3.722 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)OCc3c(F)cc([N+](=O)[O-])cc3F)CC2)[nH+]c1 ZINC000803302019 922870620 /nfs/dbraw/zinc/87/06/20/922870620.db2.gz FKJAVCPYTIQTRT-UHFFFAOYSA-N 1 1 391.374 3.536 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000803859863 923322945 /nfs/dbraw/zinc/32/29/45/923322945.db2.gz XTCAORDZGBDHAB-ZDUSSCGKSA-N 1 1 385.258 3.665 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409863969 925079304 /nfs/dbraw/zinc/07/93/04/925079304.db2.gz IJAKVIBMIORGDV-GOSISDBHSA-N 1 1 399.447 3.778 20 5 GHBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000410049792 925285984 /nfs/dbraw/zinc/28/59/84/925285984.db2.gz QBJCGZXVLXTBEL-QGZVFWFLSA-N 1 1 387.505 3.859 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2sccc2[C@@H]1C ZINC000411144506 926120908 /nfs/dbraw/zinc/12/09/08/926120908.db2.gz KAEYMTLLJPQLAA-LBPRGKRZSA-N 1 1 375.450 3.613 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000411278331 926270793 /nfs/dbraw/zinc/27/07/93/926270793.db2.gz NZHHBEHIKXBSFN-LBPRGKRZSA-N 1 1 392.481 3.698 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000726182405 926580364 /nfs/dbraw/zinc/58/03/64/926580364.db2.gz DHPQADBISHOFSZ-NXEZZACHSA-N 1 1 379.766 3.542 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000726182407 926580993 /nfs/dbraw/zinc/58/09/93/926580993.db2.gz DHPQADBISHOFSZ-UWVGGRQHSA-N 1 1 379.766 3.542 20 5 GHBDMO COC(=O)/C=C\c1ccc(NCc2ccccc2-n2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000726593180 926748093 /nfs/dbraw/zinc/74/80/93/926748093.db2.gz AQTNPCKMADGVHU-NTMALXAHSA-N 1 1 392.415 3.887 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000411817413 926805157 /nfs/dbraw/zinc/80/51/57/926805157.db2.gz JDDVNIBBLCEQAU-CQSZACIVSA-N 1 1 389.427 3.634 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@](CO)(c4ccccc4)C3)co2)cc1 ZINC000374557298 927281079 /nfs/dbraw/zinc/28/10/79/927281079.db2.gz PUCYYQJOMFPXTL-JOCHJYFZSA-N 1 1 393.443 3.776 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000750057866 927409411 /nfs/dbraw/zinc/40/94/11/927409411.db2.gz VSGWOYUSMBOOOJ-SJORKVTESA-N 1 1 375.469 3.877 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCCC[C@H]3Cc3ccccc3)n2)cc1 ZINC000750602998 927743578 /nfs/dbraw/zinc/74/35/78/927743578.db2.gz KKVOYANIEYUDED-FQEVSTJZSA-N 1 1 377.448 3.908 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000413031409 928121832 /nfs/dbraw/zinc/12/18/32/928121832.db2.gz ICNQWDAJWZBBEX-UHFFFAOYSA-N 1 1 380.370 3.721 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000467042794 928630920 /nfs/dbraw/zinc/63/09/20/928630920.db2.gz CKOYUGOUQJTWDF-LPHOPBHVSA-N 1 1 381.476 3.652 20 5 GHBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000467114194 928714939 /nfs/dbraw/zinc/71/49/39/928714939.db2.gz OPKXYHVMOFUFQW-UHFFFAOYSA-N 1 1 393.418 3.845 20 5 GHBDMO COc1cc(OC)cc(OCCC[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000753858161 929565876 /nfs/dbraw/zinc/56/58/76/929565876.db2.gz UJOKIZWGZRWYMK-UHFFFAOYSA-N 1 1 378.400 3.652 20 5 GHBDMO COc1cc(OC)cc(OCCC[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000753858161 929565882 /nfs/dbraw/zinc/56/58/82/929565882.db2.gz UJOKIZWGZRWYMK-UHFFFAOYSA-N 1 1 378.400 3.652 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000469433996 929883218 /nfs/dbraw/zinc/88/32/18/929883218.db2.gz KYUAIBGISIWKKJ-IBGZPJMESA-N 1 1 384.480 3.551 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546584422 930277161 /nfs/dbraw/zinc/27/71/61/930277161.db2.gz UAKABOFEUUZVDY-OAHLLOKOSA-N 1 1 379.476 3.782 20 5 GHBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000470135484 930397882 /nfs/dbraw/zinc/39/78/82/930397882.db2.gz ULTPKFCEHUKEQM-VHFSOBRXSA-N 1 1 399.422 3.612 20 5 GHBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000470135484 930397886 /nfs/dbraw/zinc/39/78/86/930397886.db2.gz ULTPKFCEHUKEQM-VHFSOBRXSA-N 1 1 399.422 3.612 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000470175783 930433772 /nfs/dbraw/zinc/43/37/72/930433772.db2.gz SHUFYZHXQKNQMA-VKAVYKQESA-N 1 1 397.450 3.985 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000470175783 930433775 /nfs/dbraw/zinc/43/37/75/930433775.db2.gz SHUFYZHXQKNQMA-VKAVYKQESA-N 1 1 397.450 3.985 20 5 GHBDMO COc1c(C)cc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1C ZINC000782487904 931240248 /nfs/dbraw/zinc/24/02/48/931240248.db2.gz PFCNYCIAAVKYNK-UHFFFAOYSA-N 1 1 389.427 3.820 20 5 GHBDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782498102 931242763 /nfs/dbraw/zinc/24/27/63/931242763.db2.gz GMMCTGKQJOTTFE-LBPRGKRZSA-N 1 1 375.375 3.821 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC2)[nH+]c1C ZINC000924323272 931324496 /nfs/dbraw/zinc/32/44/96/931324496.db2.gz CRQZMJQIYJJLKU-UHFFFAOYSA-N 1 1 380.807 3.747 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000783846504 931688477 /nfs/dbraw/zinc/68/84/77/931688477.db2.gz RCAOHVQJTZLRRY-AEFFLSMTSA-N 1 1 397.500 3.830 20 5 GHBDMO C/C(=C/C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783927167 931719752 /nfs/dbraw/zinc/71/97/52/931719752.db2.gz YWSMWVPUTPRWPH-MSUUIHNZSA-N 1 1 395.459 3.512 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000557884225 931738447 /nfs/dbraw/zinc/73/84/47/931738447.db2.gz PQRANXBWQUJPGG-INIZCTEOSA-N 1 1 388.468 3.721 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000797339076 932253985 /nfs/dbraw/zinc/25/39/85/932253985.db2.gz IOHACFULSHCIBL-FQEVSTJZSA-N 1 1 382.460 3.981 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000797344676 932257804 /nfs/dbraw/zinc/25/78/04/932257804.db2.gz ZZJCKEAPMSLCQI-FQEVSTJZSA-N 1 1 382.460 3.981 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](CC(N)=O)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000559342915 932613653 /nfs/dbraw/zinc/61/36/53/932613653.db2.gz MLERRKOFYGUJFF-SFHVURJKSA-N 1 1 395.415 3.570 20 5 GHBDMO C[C@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000798525544 932689886 /nfs/dbraw/zinc/68/98/86/932689886.db2.gz XSYPFGWOBACKNG-HTAPYJJXSA-N 1 1 381.476 3.727 20 5 GHBDMO C[C@@]1(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000798525374 932690049 /nfs/dbraw/zinc/69/00/49/932690049.db2.gz RVIZTZQPUWCVMX-FQEVSTJZSA-N 1 1 389.402 3.515 20 5 GHBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1OCCc2ccccc21 ZINC000560026005 933023984 /nfs/dbraw/zinc/02/39/84/933023984.db2.gz BJKITAHLWSZSJJ-HXUWFJFHSA-N 1 1 379.416 3.996 20 5 GHBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1OCCc2ccccc21 ZINC000560026005 933023988 /nfs/dbraw/zinc/02/39/88/933023988.db2.gz BJKITAHLWSZSJJ-HXUWFJFHSA-N 1 1 379.416 3.996 20 5 GHBDMO O=[N+]([O-])c1ccccc1CN(C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000560161898 933101054 /nfs/dbraw/zinc/10/10/54/933101054.db2.gz GKMSXBKMMUYXLV-JOCHJYFZSA-N 1 1 395.503 3.850 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001116750440 933736742 /nfs/dbraw/zinc/73/67/42/933736742.db2.gz ZQBJTPCHUNXIRV-NVXWUHKLSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001116750440 933736760 /nfs/dbraw/zinc/73/67/60/933736760.db2.gz ZQBJTPCHUNXIRV-NVXWUHKLSA-N 1 1 392.818 3.954 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000561683472 934363657 /nfs/dbraw/zinc/36/36/57/934363657.db2.gz HWWCDNGHGDDLMH-ZWKOTPCHSA-N 1 1 385.468 3.518 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000931906051 934761296 /nfs/dbraw/zinc/76/12/96/934761296.db2.gz URPKPOHIECDLRK-QGZVFWFLSA-N 1 1 399.516 3.611 20 5 GHBDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000828794834 935712280 /nfs/dbraw/zinc/71/22/80/935712280.db2.gz CROHNYPULVCOAN-UHFFFAOYSA-N 1 1 398.887 3.961 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)c1ccccc1F)[C@H]1CC[C@H](O)CC1 ZINC000828807487 935715707 /nfs/dbraw/zinc/71/57/07/935715707.db2.gz NVRCVFLRTVEIPW-FIKGOQFSSA-N 1 1 388.439 3.573 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001625937581 1014484950 /nfs/dbraw/zinc/48/49/50/1014484950.db2.gz LUSCOBAAHJPYJB-INIZCTEOSA-N 1 1 387.867 3.890 20 5 GHBDMO Cc1nc(Cl)nc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001227339742 1032381526 /nfs/dbraw/zinc/38/15/26/1032381526.db2.gz KGQUMTLRHAGAGM-ZSHCYNCHSA-N 1 1 388.855 3.921 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001227468416 1032432199 /nfs/dbraw/zinc/43/21/99/1032432199.db2.gz YMBOSQLECVSCME-VDZJLULYSA-N 1 1 383.404 3.792 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4C[NH+]5CCC4CC5)ccc3c21 ZINC001227517102 1032448937 /nfs/dbraw/zinc/44/89/37/1032448937.db2.gz GOTIDZXZZBKFFQ-IBGZPJMESA-N 1 1 377.396 3.871 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C(C)(C)C ZINC001204305499 1032746371 /nfs/dbraw/zinc/74/63/71/1032746371.db2.gz CGKDMIZCYVGKRF-MRXNPFEDSA-N 1 1 384.480 3.982 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935732535 1019041340 /nfs/dbraw/zinc/04/13/40/1019041340.db2.gz FALJUZKDBDICFJ-INIZCTEOSA-N 1 1 385.489 3.569 20 5 GHBDMO COc1cc(COC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000778804787 1019732900 /nfs/dbraw/zinc/73/29/00/1019732900.db2.gz QMQQAGIAEAOHCU-SFHVURJKSA-N 1 1 384.432 3.559 20 5 GHBDMO COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000576106673 1019980153 /nfs/dbraw/zinc/98/01/53/1019980153.db2.gz FNNMIHOHAFAMBB-LJQANCHMSA-N 1 1 381.476 3.890 20 5 GHBDMO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000576106673 1019980156 /nfs/dbraw/zinc/98/01/56/1019980156.db2.gz FNNMIHOHAFAMBB-LJQANCHMSA-N 1 1 381.476 3.890 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801573338 1021413517 /nfs/dbraw/zinc/41/35/17/1021413517.db2.gz LPVNWLNHRYYSJO-HXUWFJFHSA-N 1 1 393.484 3.730 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801573338 1021413524 /nfs/dbraw/zinc/41/35/24/1021413524.db2.gz LPVNWLNHRYYSJO-HXUWFJFHSA-N 1 1 393.484 3.730 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c([N+](=O)[O-])c1 ZINC000835059254 1021828881 /nfs/dbraw/zinc/82/88/81/1021828881.db2.gz ZZDKGEUSCMQQRY-UHFFFAOYSA-N 1 1 383.404 3.567 20 5 GHBDMO CC(C)(CCC(=O)OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)[N+](=O)[O-] ZINC000835153508 1021929849 /nfs/dbraw/zinc/92/98/49/1021929849.db2.gz QODZZPRHRVVDSU-CQSZACIVSA-N 1 1 384.423 3.556 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000754096281 1022477916 /nfs/dbraw/zinc/47/79/16/1022477916.db2.gz DCXNDQBLWKCRIM-QKXCFHHRSA-N 1 1 385.489 3.623 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000754096281 1022477926 /nfs/dbraw/zinc/47/79/26/1022477926.db2.gz DCXNDQBLWKCRIM-QKXCFHHRSA-N 1 1 385.489 3.623 20 5 GHBDMO O=c1oc2ccccc2c(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001228808009 1033109620 /nfs/dbraw/zinc/10/96/20/1033109620.db2.gz WGWRANHOAFGEBW-OAHLLOKOSA-N 1 1 398.390 3.884 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])C1 ZINC001156581744 1033113410 /nfs/dbraw/zinc/11/34/10/1033113410.db2.gz ZAINLAXXRJYERX-KRWDZBQOSA-N 1 1 378.432 3.838 20 5 GHBDMO Cc1cc(CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000836789166 1023367947 /nfs/dbraw/zinc/36/79/47/1023367947.db2.gz IKXRDAOSIBCSBT-UHFFFAOYSA-N 1 1 388.855 3.790 20 5 GHBDMO O=C(C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000756001242 1023473130 /nfs/dbraw/zinc/47/31/30/1023473130.db2.gz XISRVLUBMBGXHO-CYBMUJFWSA-N 1 1 377.803 3.815 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000756001242 1023473146 /nfs/dbraw/zinc/47/31/46/1023473146.db2.gz XISRVLUBMBGXHO-CYBMUJFWSA-N 1 1 377.803 3.815 20 5 GHBDMO N[C@@H]1C[C@H](O)C[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958476 1033183853 /nfs/dbraw/zinc/18/38/53/1033183853.db2.gz WPBHQQSSRPJEPP-CABCVRRESA-N 1 1 384.483 3.850 20 5 GHBDMO N[C@@H]1C[C@H](O)C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958476 1033183861 /nfs/dbraw/zinc/18/38/61/1033183861.db2.gz WPBHQQSSRPJEPP-CABCVRRESA-N 1 1 384.483 3.850 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539618 1024628668 /nfs/dbraw/zinc/62/86/68/1024628668.db2.gz SUITXIBKEXMLBT-GOEBONIOSA-N 1 1 398.419 3.710 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539618 1024628673 /nfs/dbraw/zinc/62/86/73/1024628673.db2.gz SUITXIBKEXMLBT-GOEBONIOSA-N 1 1 398.419 3.710 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001229059561 1033255279 /nfs/dbraw/zinc/25/52/79/1033255279.db2.gz QRODTCNTJGUDMH-MRXNPFEDSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001229059561 1033255291 /nfs/dbraw/zinc/25/52/91/1033255291.db2.gz QRODTCNTJGUDMH-MRXNPFEDSA-N 1 1 388.395 3.564 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3ccc(/C=C/[N+](=O)[O-])cc3)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001229116801 1033287333 /nfs/dbraw/zinc/28/73/33/1033287333.db2.gz XTOHRNZXDRUNQP-ZRYMVCCCSA-N 1 1 378.428 3.687 20 5 GHBDMO CCc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162631796 1025841458 /nfs/dbraw/zinc/84/14/58/1025841458.db2.gz SVDYLBXMYDUELA-SFHVURJKSA-N 1 1 383.496 3.925 20 5 GHBDMO Cc1cc(NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(F)cc1[N+](=O)[O-] ZINC001162741413 1025899894 /nfs/dbraw/zinc/89/98/94/1025899894.db2.gz CYMLPEIUCRXMCB-UHFFFAOYSA-N 1 1 392.862 3.930 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H](CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000839530214 1026017537 /nfs/dbraw/zinc/01/75/37/1026017537.db2.gz NWKQRSLFLSKKPE-OAHLLOKOSA-N 1 1 375.469 3.600 20 5 GHBDMO COCC[N@@H+]1[C@H](C)CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC001163590836 1026243482 /nfs/dbraw/zinc/24/34/82/1026243482.db2.gz MBKZUOLKOVAIIM-PHIMTYICSA-N 1 1 395.809 3.812 20 5 GHBDMO Cc1ccc(-c2ccc(N3CC[N@H+](C)C[C@H]3c3ccccc3)nn2)cc1[N+](=O)[O-] ZINC001163671279 1026275697 /nfs/dbraw/zinc/27/56/97/1026275697.db2.gz BABHBECJOQXQIY-NRFANRHFSA-N 1 1 389.459 3.853 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001141706403 1026303262 /nfs/dbraw/zinc/30/32/62/1026303262.db2.gz FWAAEASEBZQVIA-LEWJYISDSA-N 1 1 381.476 3.855 20 5 GHBDMO C[C@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+]1CCCCCC1 ZINC000839863823 1026317109 /nfs/dbraw/zinc/31/71/09/1026317109.db2.gz LCEWLWJYALCRAM-IAQYHMDHSA-N 1 1 391.365 3.718 20 5 GHBDMO C[C@@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000839863988 1026318652 /nfs/dbraw/zinc/31/86/52/1026318652.db2.gz MPHZKDIWFPHAOW-BQVMBELUSA-N 1 1 391.365 3.715 20 5 GHBDMO C[C@@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000839863988 1026318667 /nfs/dbraw/zinc/31/86/67/1026318667.db2.gz MPHZKDIWFPHAOW-BQVMBELUSA-N 1 1 391.365 3.715 20 5 GHBDMO CC(C)[N@@H+](CCO)CC1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC001164190507 1026445534 /nfs/dbraw/zinc/44/55/34/1026445534.db2.gz FAXGAUFKIFBPAS-UHFFFAOYSA-N 1 1 390.311 3.821 20 5 GHBDMO Cn1c[nH+]cc1C1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC001164379599 1026501800 /nfs/dbraw/zinc/50/18/00/1026501800.db2.gz KLMPKRFLBNCCBW-UHFFFAOYSA-N 1 1 390.443 3.943 20 5 GHBDMO O=[N+]([O-])c1cnc2cccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n21 ZINC001164498765 1026534186 /nfs/dbraw/zinc/53/41/86/1026534186.db2.gz GXQXOCQJKGUYNS-OKZBNKHCSA-N 1 1 377.448 3.565 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001164498281 1026534417 /nfs/dbraw/zinc/53/44/17/1026534417.db2.gz DXJRUSMPWIHZJG-GUDVDZBRSA-N 1 1 395.459 3.704 20 5 GHBDMO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164499930 1026536744 /nfs/dbraw/zinc/53/67/44/1026536744.db2.gz VZNNWLMPDACLJX-YESZJQIVSA-N 1 1 377.448 3.794 20 5 GHBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC3(C2)C[NH+](Cc2ccccc2)C3)c1 ZINC001165122697 1026617247 /nfs/dbraw/zinc/61/72/47/1026617247.db2.gz LSFISAXZAUVVBV-UHFFFAOYSA-N 1 1 394.809 3.510 20 5 GHBDMO Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001165153359 1026636478 /nfs/dbraw/zinc/63/64/78/1026636478.db2.gz XUYBRQWNSYTGTP-GASCZTMLSA-N 1 1 395.488 3.573 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001165202835 1026664545 /nfs/dbraw/zinc/66/45/45/1026664545.db2.gz PMWMATQOMHJDQG-JKSUJKDBSA-N 1 1 377.448 3.637 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N2CCC3(CC2)OCCc2ccccc23)ncc1[N+](=O)[O-] ZINC001167015117 1027198251 /nfs/dbraw/zinc/19/82/51/1027198251.db2.gz CESDBYJDQGJRLU-YRNVUSSQSA-N 1 1 394.475 3.591 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)c2c(Cl)c1 ZINC000840116594 1027225802 /nfs/dbraw/zinc/22/58/02/1027225802.db2.gz PYCLLDGCAPVSJV-UAGQMJEPSA-N 1 1 378.860 3.571 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840952882 1027982611 /nfs/dbraw/zinc/98/26/11/1027982611.db2.gz BHVXHIQUUCYXJK-UHFFFAOYSA-N 1 1 377.242 3.527 20 5 GHBDMO c1cc2ccc3ccc(C[N@H+]4CCOC[C@@]5(CNCCO5)C4)c4ccc(c1)c2c34 ZINC001222186343 1029993029 /nfs/dbraw/zinc/99/30/29/1029993029.db2.gz FEBNMJSWNVJCBR-RUZDIDTESA-N 1 1 386.495 3.775 20 5 GHBDMO c1cc2ccc3ccc(CN4CCOC[C@@]5(C[NH2+]CCO5)C4)c4ccc(c1)c2c34 ZINC001222186343 1029993038 /nfs/dbraw/zinc/99/30/38/1029993038.db2.gz FEBNMJSWNVJCBR-RUZDIDTESA-N 1 1 386.495 3.775 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCC1(C)C ZINC001149582759 1030233718 /nfs/dbraw/zinc/23/37/18/1030233718.db2.gz XBWZQAMXZWVJRN-UHFFFAOYSA-N 1 1 396.491 3.763 20 5 GHBDMO O=[N+]([O-])c1cc(CO[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc([N+](=O)[O-])c1 ZINC001223489936 1030602423 /nfs/dbraw/zinc/60/24/23/1030602423.db2.gz KNSWJBBVDKHJES-SFHVURJKSA-N 1 1 391.811 3.948 20 5 GHBDMO C[NH2+][C@H]1C[C@@H](Oc2cc(O)c(CC=C(C)C)c3oc4c(O)cccc4c(=O)c23)C1 ZINC001217956933 1030686876 /nfs/dbraw/zinc/68/68/76/1030686876.db2.gz JSSYOEGAIPLXFK-OKILXGFUSA-N 1 1 395.455 3.995 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@@H]1CCC[NH2+]C1 ZINC001217966072 1030693622 /nfs/dbraw/zinc/69/36/22/1030693622.db2.gz XNNUREMVQZTVLB-OAHLLOKOSA-N 1 1 395.455 3.997 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCO[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC001224778054 1031115012 /nfs/dbraw/zinc/11/50/12/1031115012.db2.gz JCBWVGSCKHJIED-SFHVURJKSA-N 1 1 376.840 3.918 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224986040 1031201942 /nfs/dbraw/zinc/20/19/42/1031201942.db2.gz CTVGVQBGRJVMIR-UWJYYQICSA-N 1 1 398.459 3.565 20 5 GHBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC2 ZINC001152463794 1031251435 /nfs/dbraw/zinc/25/14/35/1031251435.db2.gz BXZCZTCIPGACGQ-GOSISDBHSA-N 1 1 397.450 3.844 20 5 GHBDMO CCOc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001219317591 1031354037 /nfs/dbraw/zinc/35/40/37/1031354037.db2.gz GSVLSYGTWNIMAM-QAPCUYQASA-N 1 1 398.463 3.778 20 5 GHBDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1ccc3oc4ccccc4c(=O)c3c1)C2 ZINC001153426909 1031585412 /nfs/dbraw/zinc/58/54/12/1031585412.db2.gz KXMHFWIVFQYXJF-OSYLJGHBSA-N 1 1 376.456 3.691 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001225894193 1031679376 /nfs/dbraw/zinc/67/93/76/1031679376.db2.gz FLXSLHCOODTZTJ-ZDUSSCGKSA-N 1 1 395.774 3.949 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001225894193 1031679378 /nfs/dbraw/zinc/67/93/78/1031679378.db2.gz FLXSLHCOODTZTJ-ZDUSSCGKSA-N 1 1 395.774 3.949 20 5 GHBDMO COC(=O)Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001226216732 1031857778 /nfs/dbraw/zinc/85/77/78/1031857778.db2.gz KWLWLHMMYDDOAQ-JXFKEZNVSA-N 1 1 398.459 3.600 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226435814 1031959820 /nfs/dbraw/zinc/95/98/20/1031959820.db2.gz UYFYRKABLGCYAN-YWZLYKJASA-N 1 1 378.432 3.827 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001229403888 1033462384 /nfs/dbraw/zinc/46/23/84/1033462384.db2.gz RRLPRHQVQZSDSX-MRXNPFEDSA-N 1 1 382.395 3.721 20 5 GHBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001205663840 1033517646 /nfs/dbraw/zinc/51/76/46/1033517646.db2.gz RFXQTGFFSFRINC-LBPRGKRZSA-N 1 1 380.876 3.895 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001230248120 1033961378 /nfs/dbraw/zinc/96/13/78/1033961378.db2.gz XNRAKIUQIDAZHQ-QVKFZJNVSA-N 1 1 383.448 3.843 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001230495013 1034091356 /nfs/dbraw/zinc/09/13/56/1034091356.db2.gz XWERPZDJZDRWQW-LSDHHAIUSA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001230495013 1034091366 /nfs/dbraw/zinc/09/13/66/1034091366.db2.gz XWERPZDJZDRWQW-LSDHHAIUSA-N 1 1 386.408 3.811 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)c21 ZINC001231055739 1034368457 /nfs/dbraw/zinc/36/84/57/1034368457.db2.gz MTAIRSIBKATEOW-MBOZVWFJSA-N 1 1 390.443 3.827 20 5 GHBDMO Cn1cnc2cc(C[NH2+]Cc3cc(Br)c([N+](=O)[O-])s3)ccc21 ZINC001207569806 1034455215 /nfs/dbraw/zinc/45/52/15/1034455215.db2.gz MGFFFECTLYILAO-UHFFFAOYSA-N 1 1 381.255 3.595 20 5 GHBDMO O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001159287721 1034524430 /nfs/dbraw/zinc/52/44/30/1034524430.db2.gz DLPIBZLZBMGLPV-PHZGNYQRSA-N 1 1 383.408 3.506 20 5 GHBDMO Cc1nc2ccccn2c1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001207753333 1034558867 /nfs/dbraw/zinc/55/88/67/1034558867.db2.gz WXZDDYIBCQYHLI-UHFFFAOYSA-N 1 1 381.255 3.665 20 5 GHBDMO CN(C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161063813 1035130661 /nfs/dbraw/zinc/13/06/61/1035130661.db2.gz NFRPNTTUIGSHGL-XPWALMASSA-N 1 1 375.516 3.591 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc(N[C@H]3CC[N@@H+](Cc4cccc(Cl)c4)C3)nc2c1 ZINC001161181673 1035169433 /nfs/dbraw/zinc/16/94/33/1035169433.db2.gz BQRDRCDEYNJLLM-HNNXBMFYSA-N 1 1 383.839 3.878 20 5 GHBDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1)c1ccccn1 ZINC001232228956 1035173322 /nfs/dbraw/zinc/17/33/22/1035173322.db2.gz WBGWHHUIXIWDCB-LJQANCHMSA-N 1 1 397.482 3.572 20 5 GHBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1)c1ccccn1 ZINC001232228956 1035173325 /nfs/dbraw/zinc/17/33/25/1035173325.db2.gz WBGWHHUIXIWDCB-LJQANCHMSA-N 1 1 397.482 3.572 20 5 GHBDMO Cc1cnc(O[C@@H]2CCC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)nc1 ZINC001232227689 1035173384 /nfs/dbraw/zinc/17/33/84/1035173384.db2.gz LOWOFSAJWXJPLM-HXUWFJFHSA-N 1 1 385.471 3.925 20 5 GHBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC001248334847 1035761578 /nfs/dbraw/zinc/76/15/78/1035761578.db2.gz QXINOMNHTSGMJF-HNNXBMFYSA-N 1 1 383.383 3.906 20 5 GHBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC001248334847 1035761598 /nfs/dbraw/zinc/76/15/98/1035761598.db2.gz QXINOMNHTSGMJF-HNNXBMFYSA-N 1 1 383.383 3.906 20 5 GHBDMO COc1ccc(C[C@@H](C)N2CCCC[C@]3(CCCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001246601010 1037499193 /nfs/dbraw/zinc/49/91/93/1037499193.db2.gz FTLVCFPUGFIGSS-UTKZUKDTSA-N 1 1 375.513 3.780 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001233576886 1039452991 /nfs/dbraw/zinc/45/29/91/1039452991.db2.gz DASOUMJLJUPJGW-ZDUSSCGKSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001233576886 1039452994 /nfs/dbraw/zinc/45/29/94/1039452994.db2.gz DASOUMJLJUPJGW-ZDUSSCGKSA-N 1 1 377.784 3.810 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2ccc([N+](=O)[O-])c(F)c2F)O1 ZINC001233771383 1039603629 /nfs/dbraw/zinc/60/36/29/1039603629.db2.gz VSAUHWYOGHZKSG-OAHLLOKOSA-N 1 1 392.402 3.931 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2ccc([N+](=O)[O-])c(F)c2F)O1 ZINC001233771383 1039603642 /nfs/dbraw/zinc/60/36/42/1039603642.db2.gz VSAUHWYOGHZKSG-OAHLLOKOSA-N 1 1 392.402 3.931 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001233984162 1039742569 /nfs/dbraw/zinc/74/25/69/1039742569.db2.gz DNZAVJURSLDHRR-SFHVURJKSA-N 1 1 388.439 3.697 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCSCc1ccc(CN(C)C)o1 ZINC001254532325 1040304209 /nfs/dbraw/zinc/30/42/09/1040304209.db2.gz MVEFEROVYSEZFF-OAHLLOKOSA-N 1 1 377.510 3.703 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001254559215 1040329578 /nfs/dbraw/zinc/32/95/78/1040329578.db2.gz JSABDTADGHYZPT-JKSUJKDBSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254559650 1040331436 /nfs/dbraw/zinc/33/14/36/1040331436.db2.gz LNHIZNCMXLHWHC-NJAFHUGGSA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001254563210 1040336634 /nfs/dbraw/zinc/33/66/34/1040336634.db2.gz XVIUSAFJQDQZOE-SFHVURJKSA-N 1 1 395.507 3.698 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254564074 1040338838 /nfs/dbraw/zinc/33/88/38/1040338838.db2.gz IGZOYGVOSNJBLK-BBRMVZONSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254564074 1040338852 /nfs/dbraw/zinc/33/88/52/1040338852.db2.gz IGZOYGVOSNJBLK-BBRMVZONSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001254570856 1040347847 /nfs/dbraw/zinc/34/78/47/1040347847.db2.gz QCWGJBLLANTEMI-DNVCBOLYSA-N 1 1 385.439 3.559 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccncc1 ZINC001254590028 1040363660 /nfs/dbraw/zinc/36/36/60/1040363660.db2.gz STUVZZSIHHOJRJ-GCJKJVERSA-N 1 1 399.454 3.723 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593411 1040365840 /nfs/dbraw/zinc/36/58/40/1040365840.db2.gz MEDNSHXPEYEUSU-NEWSRXKRSA-N 1 1 387.480 3.536 20 5 GHBDMO Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4Cc5ccc([N+](=O)[O-])cc5C4)C3)CC2=O)s1 ZINC001254595110 1040367526 /nfs/dbraw/zinc/36/75/26/1040367526.db2.gz JBGSMQYZQFEUCO-WIYYLYMNSA-N 1 1 397.500 3.561 20 5 GHBDMO O=C1Nc2ccccc2CN1[C@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610289 1040381933 /nfs/dbraw/zinc/38/19/33/1040381933.db2.gz JGQFJXIKZRYWSH-VQTJNVASSA-N 1 1 392.459 3.574 20 5 GHBDMO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609363 1040382184 /nfs/dbraw/zinc/38/21/84/1040382184.db2.gz VTILLRUXWDVSGH-FDFHNCONSA-N 1 1 394.471 3.873 20 5 GHBDMO COc1ccc(Cc2nnc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])o2)cc1 ZINC001254802257 1040563240 /nfs/dbraw/zinc/56/32/40/1040563240.db2.gz VPCHLSXVUJJJFD-UHFFFAOYSA-N 1 1 391.387 3.738 20 5 GHBDMO COc1cc(F)c([N+](=O)[O-])cc1-c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255486621 1041084251 /nfs/dbraw/zinc/08/42/51/1041084251.db2.gz KGXMZCBHDPYIOM-CQSZACIVSA-N 1 1 398.394 3.782 20 5 GHBDMO CCN(C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475161612 1041707591 /nfs/dbraw/zinc/70/75/91/1041707591.db2.gz HMCSPHHUCAEVPQ-HKUYNNGSSA-N 1 1 396.491 3.962 20 5 GHBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001291634509 1043365236 /nfs/dbraw/zinc/36/52/36/1043365236.db2.gz DXGIFTIICOHJON-LJQANCHMSA-N 1 1 394.431 3.635 20 5 GHBDMO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001258125807 1044412842 /nfs/dbraw/zinc/41/28/42/1044412842.db2.gz ZRGWWVTYEPRRRF-FZKQIMNGSA-N 1 1 378.835 3.618 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001295095676 1044913363 /nfs/dbraw/zinc/91/33/63/1044913363.db2.gz UWYDGTXWGNYACR-YOEHRIQHSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001295095676 1044913367 /nfs/dbraw/zinc/91/33/67/1044913367.db2.gz UWYDGTXWGNYACR-YOEHRIQHSA-N 1 1 377.803 3.563 20 5 GHBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001305029325 1047843385 /nfs/dbraw/zinc/84/33/85/1047843385.db2.gz CLNYFCIPGXOFPP-HZPDHXFCSA-N 1 1 398.511 3.572 20 5 GHBDMO CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001306641405 1048783583 /nfs/dbraw/zinc/78/35/83/1048783583.db2.gz KNUNLECAJNVGCF-QFBILLFUSA-N 1 1 398.511 3.716 20 5 GHBDMO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[NH+]1CCOCC1 ZINC001306926130 1048962827 /nfs/dbraw/zinc/96/28/27/1048962827.db2.gz VOIJRKOGGXCYDF-GOSISDBHSA-N 1 1 388.443 3.565 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2c3cc(OC)ccc3ncc2[N+](=O)[O-])c1 ZINC001306940890 1048970612 /nfs/dbraw/zinc/97/06/12/1048970612.db2.gz AQQQAMFLFJPPEN-UHFFFAOYSA-N 1 1 380.448 3.637 20 5 GHBDMO C[C@H]1C[C@@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001306972930 1048986234 /nfs/dbraw/zinc/98/62/34/1048986234.db2.gz XJEPUUDPFMLZGZ-RDJZCZTQSA-N 1 1 379.464 3.960 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307110635 1049081479 /nfs/dbraw/zinc/08/14/79/1049081479.db2.gz SJYAMHYFURXUJI-INIZCTEOSA-N 1 1 380.423 3.638 20 5 GHBDMO CCc1cc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307113343 1049083379 /nfs/dbraw/zinc/08/33/79/1049083379.db2.gz ZKGSTCARLPLOEF-SFHVURJKSA-N 1 1 383.496 3.568 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001307502234 1049342641 /nfs/dbraw/zinc/34/26/41/1049342641.db2.gz UMTXCSRXWAHWFQ-ROUUACIJSA-N 1 1 396.491 3.518 20 5 GHBDMO CC[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1c1ccccc1 ZINC001307519139 1049362776 /nfs/dbraw/zinc/36/27/76/1049362776.db2.gz AXEKADNEIWANIY-UTKZUKDTSA-N 1 1 393.487 4.000 20 5 GHBDMO CC[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001307671046 1049493918 /nfs/dbraw/zinc/49/39/18/1049493918.db2.gz XNOAOTAXSYDAID-HXUWFJFHSA-N 1 1 383.492 3.960 20 5 GHBDMO CC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001307671046 1049493926 /nfs/dbraw/zinc/49/39/26/1049493926.db2.gz XNOAOTAXSYDAID-HXUWFJFHSA-N 1 1 383.492 3.960 20 5 GHBDMO CC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001307671046 1049493931 /nfs/dbraw/zinc/49/39/31/1049493931.db2.gz XNOAOTAXSYDAID-HXUWFJFHSA-N 1 1 383.492 3.960 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC001307804105 1049603412 /nfs/dbraw/zinc/60/34/12/1049603412.db2.gz ZDLYGVJDVRSVQA-IIDMSEBBSA-N 1 1 383.448 3.808 20 5 GHBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307857043 1049639067 /nfs/dbraw/zinc/63/90/67/1049639067.db2.gz AUPCHBNKCBQBQD-INMHGKMJSA-N 1 1 377.485 3.966 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307892660 1049670410 /nfs/dbraw/zinc/67/04/10/1049670410.db2.gz ATCOUKIGOUFYBB-SUWCGCSTSA-N 1 1 383.492 3.612 20 5 GHBDMO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307892660 1049670413 /nfs/dbraw/zinc/67/04/13/1049670413.db2.gz ATCOUKIGOUFYBB-SUWCGCSTSA-N 1 1 383.492 3.612 20 5 GHBDMO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307892660 1049670419 /nfs/dbraw/zinc/67/04/19/1049670419.db2.gz ATCOUKIGOUFYBB-SUWCGCSTSA-N 1 1 383.492 3.612 20 5 GHBDMO CC1(C)C[C@@H]([N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2)CO1 ZINC001307926843 1049701345 /nfs/dbraw/zinc/70/13/45/1049701345.db2.gz LWCPUMOMVWPDFI-GOSISDBHSA-N 1 1 397.475 3.993 20 5 GHBDMO CCc1ccc(CN2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001308037990 1049788076 /nfs/dbraw/zinc/78/80/76/1049788076.db2.gz BAOMVVUSCITIKP-UHFFFAOYSA-N 1 1 383.492 3.744 20 5 GHBDMO CN(C(=O)C[N@@H+]1CCCSC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001308040002 1049790946 /nfs/dbraw/zinc/79/09/46/1049790946.db2.gz IQRVGXDKUCMMNC-LJQANCHMSA-N 1 1 385.489 3.738 20 5 GHBDMO CN(C(=O)C[N@H+]1CCCSC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001308040002 1049790952 /nfs/dbraw/zinc/79/09/52/1049790952.db2.gz IQRVGXDKUCMMNC-LJQANCHMSA-N 1 1 385.489 3.738 20 5 GHBDMO COc1cccc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2(C)C)c1 ZINC001308045999 1049795574 /nfs/dbraw/zinc/79/55/74/1049795574.db2.gz LFQNAMZHVOSLGL-QGZVFWFLSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1cccc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2(C)C)c1 ZINC001308045999 1049795579 /nfs/dbraw/zinc/79/55/79/1049795579.db2.gz LFQNAMZHVOSLGL-QGZVFWFLSA-N 1 1 383.448 3.810 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001308053974 1049802292 /nfs/dbraw/zinc/80/22/92/1049802292.db2.gz BLLGDUDWBHLFLZ-LSDHHAIUSA-N 1 1 385.468 3.648 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001308053974 1049802300 /nfs/dbraw/zinc/80/23/00/1049802300.db2.gz BLLGDUDWBHLFLZ-LSDHHAIUSA-N 1 1 385.468 3.648 20 5 GHBDMO Cc1nc(CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Br)CC2)no1 ZINC001308095654 1049843482 /nfs/dbraw/zinc/84/34/82/1049843482.db2.gz OWWNHAFNLHEEKG-UHFFFAOYSA-N 1 1 395.257 3.503 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001291003045 1049968159 /nfs/dbraw/zinc/96/81/59/1049968159.db2.gz XJNXZPBORSLKPB-GASCZTMLSA-N 1 1 381.904 3.665 20 5 GHBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC001308663241 1050052317 /nfs/dbraw/zinc/05/23/17/1050052317.db2.gz MVFDZPKYTXVKAP-CQSZACIVSA-N 1 1 382.338 3.885 20 5 GHBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC001308663241 1050052323 /nfs/dbraw/zinc/05/23/23/1050052323.db2.gz MVFDZPKYTXVKAP-CQSZACIVSA-N 1 1 382.338 3.885 20 5 GHBDMO COC(=O)c1ccc2c(c1)OCC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C2 ZINC001308975765 1050236140 /nfs/dbraw/zinc/23/61/40/1050236140.db2.gz HKVCUXVUNOTXLA-GDNBJRDFSA-N 1 1 382.416 3.679 20 5 GHBDMO COC(=O)c1ccc2c(c1)OCC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C2 ZINC001308975765 1050236153 /nfs/dbraw/zinc/23/61/53/1050236153.db2.gz HKVCUXVUNOTXLA-GDNBJRDFSA-N 1 1 382.416 3.679 20 5 GHBDMO COC(=O)c1ccc2c(c1)OCC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C2 ZINC001308975767 1050236849 /nfs/dbraw/zinc/23/68/49/1050236849.db2.gz HKVCUXVUNOTXLA-XNTDXEJSSA-N 1 1 382.416 3.679 20 5 GHBDMO COC(=O)c1ccc2c(c1)OCC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C2 ZINC001308975767 1050236859 /nfs/dbraw/zinc/23/68/59/1050236859.db2.gz HKVCUXVUNOTXLA-XNTDXEJSSA-N 1 1 382.416 3.679 20 5 GHBDMO O=[N+]([O-])c1cnn(C2CC([NH2+]C3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)C2)c1 ZINC001330640038 1051049578 /nfs/dbraw/zinc/04/95/78/1051049578.db2.gz XDEDXUSRXQQQNF-BWQRXAFVSA-N 1 1 395.507 3.670 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC(Nc3ccccc3)CC2)o1 ZINC001331099941 1051190959 /nfs/dbraw/zinc/19/09/59/1051190959.db2.gz YWCANNCTZNKLII-UHFFFAOYSA-N 1 1 379.420 3.721 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)C2)cc1 ZINC001310688891 1051532968 /nfs/dbraw/zinc/53/29/68/1051532968.db2.gz KXZRZIRRDIRVAE-GOSISDBHSA-N 1 1 382.464 3.916 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)C2)cc1 ZINC001310688892 1051533183 /nfs/dbraw/zinc/53/31/83/1051533183.db2.gz KXZRZIRRDIRVAE-SFHVURJKSA-N 1 1 382.464 3.916 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC001317856544 1054280616 /nfs/dbraw/zinc/28/06/16/1054280616.db2.gz YBVOYFCOPPHNDJ-INIZCTEOSA-N 1 1 396.491 3.941 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCc3ccc(OC(F)(F)F)cc3)C2)nc1 ZINC001320042457 1055616167 /nfs/dbraw/zinc/61/61/67/1055616167.db2.gz UQFXMPJYBNYJTC-AWEZNQCLSA-N 1 1 396.369 3.617 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001321446816 1056267937 /nfs/dbraw/zinc/26/79/37/1056267937.db2.gz TUODZPHTMUBERB-MRXNPFEDSA-N 1 1 389.496 3.990 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001322835944 1056863043 /nfs/dbraw/zinc/86/30/43/1056863043.db2.gz PLYJPCBECUVBJM-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO Cc1c(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001439803139 1058308834 /nfs/dbraw/zinc/30/88/34/1058308834.db2.gz RLBFUFAEOHXRIZ-UHFFFAOYSA-N 1 1 391.309 3.755 20 5 GHBDMO Cc1ccc(NCCCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC001444357230 1059317140 /nfs/dbraw/zinc/31/71/40/1059317140.db2.gz KWTTUWOREQDNDY-LJQANCHMSA-N 1 1 388.512 3.619 20 5 GHBDMO CC[C@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001447498972 1059972935 /nfs/dbraw/zinc/97/29/35/1059972935.db2.gz NPGNBCLFXHPEOZ-IBGZPJMESA-N 1 1 381.476 3.948 20 5 GHBDMO CC[C@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001447498972 1059972939 /nfs/dbraw/zinc/97/29/39/1059972939.db2.gz NPGNBCLFXHPEOZ-IBGZPJMESA-N 1 1 381.476 3.948 20 5 GHBDMO C[N@@H+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C[C@H]1C(C)(C)C ZINC001452611911 1060972704 /nfs/dbraw/zinc/97/27/04/1060972704.db2.gz RLUYWPQUDMRDKM-NSHDSACASA-N 1 1 392.258 3.843 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C[C@H]1C(C)(C)C ZINC001452611911 1060972705 /nfs/dbraw/zinc/97/27/05/1060972705.db2.gz RLUYWPQUDMRDKM-NSHDSACASA-N 1 1 392.258 3.843 20 5 GHBDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001455461647 1062165777 /nfs/dbraw/zinc/16/57/77/1062165777.db2.gz DWTJYBBREFTESU-HXUWFJFHSA-N 1 1 385.439 3.572 20 5 GHBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001436158341 1063247218 /nfs/dbraw/zinc/24/72/18/1063247218.db2.gz SXJULKPJFGCCOD-QGZVFWFLSA-N 1 1 382.464 3.507 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001436562595 1063532788 /nfs/dbraw/zinc/53/27/88/1063532788.db2.gz AHFZNCXNIKDQBJ-QGZVFWFLSA-N 1 1 381.476 3.653 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001458237445 1063685033 /nfs/dbraw/zinc/68/50/33/1063685033.db2.gz FQLQRSZGDFYWAN-ROUUACIJSA-N 1 1 396.447 3.994 20 5 GHBDMO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001458468570 1063828192 /nfs/dbraw/zinc/82/81/92/1063828192.db2.gz JZZOZGCVUSBVHO-QLFBSQMISA-N 1 1 385.493 3.792 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001458497645 1063848245 /nfs/dbraw/zinc/84/82/45/1063848245.db2.gz BQDGVXBZXCPFCQ-INIZCTEOSA-N 1 1 382.851 3.905 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCO[C@H](CNc3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 ZINC001458612245 1063904612 /nfs/dbraw/zinc/90/46/12/1063904612.db2.gz WIRWADMAHUYQDU-GOSISDBHSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1ccc(C[N@H+]2CCO[C@H](CNc3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 ZINC001458612245 1063904615 /nfs/dbraw/zinc/90/46/15/1063904615.db2.gz WIRWADMAHUYQDU-GOSISDBHSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)n1 ZINC001459334833 1064065852 /nfs/dbraw/zinc/06/58/52/1064065852.db2.gz OMSULDBTJVNFCB-ZDUSSCGKSA-N 1 1 391.269 3.835 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)n1 ZINC001459334833 1064065858 /nfs/dbraw/zinc/06/58/58/1064065858.db2.gz OMSULDBTJVNFCB-ZDUSSCGKSA-N 1 1 391.269 3.835 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC001459677500 1064164778 /nfs/dbraw/zinc/16/47/78/1064164778.db2.gz PVFNOUKGQNOIRZ-AZUAARDMSA-N 1 1 382.460 3.877 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001459709463 1064181160 /nfs/dbraw/zinc/18/11/60/1064181160.db2.gz VSDOWRIGYUYUBG-NRFANRHFSA-N 1 1 385.439 3.684 20 5 GHBDMO CC(C)(C)OCCC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001465543626 1065702470 /nfs/dbraw/zinc/70/24/70/1065702470.db2.gz USKOEQUXINFQMI-UHFFFAOYSA-N 1 1 398.891 3.603 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001357607633 1067190309 /nfs/dbraw/zinc/19/03/09/1067190309.db2.gz DSSOAWDEFFPGMX-LJQANCHMSA-N 1 1 385.439 3.861 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001357607633 1067190321 /nfs/dbraw/zinc/19/03/21/1067190321.db2.gz DSSOAWDEFFPGMX-LJQANCHMSA-N 1 1 385.439 3.861 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC001467544390 1067350387 /nfs/dbraw/zinc/35/03/87/1067350387.db2.gz PSDFWVUVEWNGEK-UHFFFAOYSA-N 1 1 377.828 3.961 20 5 GHBDMO COC(=O)c1cccc(OCC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001460130179 1068798841 /nfs/dbraw/zinc/79/88/41/1068798841.db2.gz MAVXQXCJGDDQHT-GOSISDBHSA-N 1 1 384.432 3.640 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC001460181845 1068839936 /nfs/dbraw/zinc/83/99/36/1068839936.db2.gz ZHJHOBHSVNXRIT-YJBOKZPZSA-N 1 1 397.475 3.982 20 5 GHBDMO CCc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC001460181845 1068839949 /nfs/dbraw/zinc/83/99/49/1068839949.db2.gz ZHJHOBHSVNXRIT-YJBOKZPZSA-N 1 1 397.475 3.982 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC001460181825 1068840349 /nfs/dbraw/zinc/84/03/49/1068840349.db2.gz ZHJHOBHSVNXRIT-CRAIPNDOSA-N 1 1 397.475 3.982 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC001460181825 1068840360 /nfs/dbraw/zinc/84/03/60/1068840360.db2.gz ZHJHOBHSVNXRIT-CRAIPNDOSA-N 1 1 397.475 3.982 20 5 GHBDMO C[C@@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)OC(C)(C)C ZINC001460209555 1068862677 /nfs/dbraw/zinc/86/26/77/1068862677.db2.gz SDCIAWVFCMUKBF-NSHDSACASA-N 1 1 387.274 3.767 20 5 GHBDMO C[C@@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)OC(C)(C)C ZINC001460209555 1068862685 /nfs/dbraw/zinc/86/26/85/1068862685.db2.gz SDCIAWVFCMUKBF-NSHDSACASA-N 1 1 387.274 3.767 20 5 GHBDMO COC(=O)[C@]12C[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001460314411 1068920731 /nfs/dbraw/zinc/92/07/31/1068920731.db2.gz STFTYGJOKARKFU-SJKOYZFVSA-N 1 1 397.269 3.523 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(Cc3nnc(C(C)C)[nH]3)CC2)ccc1[N+](=O)[O-] ZINC001460330359 1068928718 /nfs/dbraw/zinc/92/87/18/1068928718.db2.gz CJMUWUJUWXCCHH-UHFFFAOYSA-N 1 1 387.484 3.690 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(Cc3n[nH]c(C(C)C)n3)CC2)ccc1[N+](=O)[O-] ZINC001460330359 1068928721 /nfs/dbraw/zinc/92/87/21/1068928721.db2.gz CJMUWUJUWXCCHH-UHFFFAOYSA-N 1 1 387.484 3.690 20 5 GHBDMO COc1ccc(Cl)c(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001460333701 1068929524 /nfs/dbraw/zinc/92/95/24/1068929524.db2.gz BRGHCXUTBWWTLS-UHFFFAOYSA-N 1 1 375.856 3.622 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CCO)c3cc(Cl)cc(Cl)c3)nc2c1 ZINC001460568140 1068999568 /nfs/dbraw/zinc/99/95/68/1068999568.db2.gz HMRVKLBTIQHRGO-CQSZACIVSA-N 1 1 395.246 3.991 20 5 GHBDMO CCOCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC001460619917 1069035720 /nfs/dbraw/zinc/03/57/20/1069035720.db2.gz VEIRZNRRTFTFEV-OAQYLSRUSA-N 1 1 397.475 3.949 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001460672208 1069075238 /nfs/dbraw/zinc/07/52/38/1069075238.db2.gz QYIYJAGTGWLPDR-INIZCTEOSA-N 1 1 375.469 3.834 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001460672208 1069075242 /nfs/dbraw/zinc/07/52/42/1069075242.db2.gz QYIYJAGTGWLPDR-INIZCTEOSA-N 1 1 375.469 3.834 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001460879707 1069248619 /nfs/dbraw/zinc/24/86/19/1069248619.db2.gz IWQBUURJSCBKDB-CYBMUJFWSA-N 1 1 383.876 3.985 20 5 GHBDMO C[C@@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccccc1[N+](=O)[O-] ZINC001472624425 1073582858 /nfs/dbraw/zinc/58/28/58/1073582858.db2.gz LXJVBHJFPDAVSX-LPHOPBHVSA-N 1 1 381.476 3.938 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC001472764743 1073655469 /nfs/dbraw/zinc/65/54/69/1073655469.db2.gz QSNMNZGZKDWUMG-HXUWFJFHSA-N 1 1 377.448 3.861 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(O)cc3)CC2)nc1-c1ccccc1 ZINC001472858952 1073698073 /nfs/dbraw/zinc/69/80/73/1073698073.db2.gz OZMSNVHALBKLFP-UHFFFAOYSA-N 1 1 390.443 3.685 20 5 GHBDMO CC1(C)CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC001473154061 1073813238 /nfs/dbraw/zinc/81/32/38/1073813238.db2.gz ONZCTKNEYPXNAS-UHFFFAOYSA-N 1 1 375.419 3.969 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001473175653 1073832883 /nfs/dbraw/zinc/83/28/83/1073832883.db2.gz NDTCUEVYLRHOEO-RTBURBONSA-N 1 1 389.496 3.983 20 5 GHBDMO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H](CO)CC(C)(C)C ZINC001473476777 1073982933 /nfs/dbraw/zinc/98/29/33/1073982933.db2.gz UWGCRQPFXQLFJP-GFCCVEGCSA-N 1 1 382.848 3.527 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC001473506987 1073993504 /nfs/dbraw/zinc/99/35/04/1073993504.db2.gz QWWICQYPDQLRGZ-RKVPGOIHSA-N 1 1 383.448 3.808 20 5 GHBDMO CC[C@H](CO)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC001473733954 1074114399 /nfs/dbraw/zinc/11/43/99/1074114399.db2.gz CBNKKPVFVILEDL-GOSISDBHSA-N 1 1 385.464 3.505 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001473864682 1074180949 /nfs/dbraw/zinc/18/09/49/1074180949.db2.gz BSBWNPSXSRFWLZ-LIRRHRJNSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CC[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001473864682 1074180952 /nfs/dbraw/zinc/18/09/52/1074180952.db2.gz BSBWNPSXSRFWLZ-LIRRHRJNSA-N 1 1 379.432 3.613 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c(Br)c1 ZINC001473869683 1074183248 /nfs/dbraw/zinc/18/32/48/1074183248.db2.gz AXIQAGUXRSPDIL-UKRRQHHQSA-N 1 1 383.286 3.996 20 5 GHBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001474369341 1074368141 /nfs/dbraw/zinc/36/81/41/1074368141.db2.gz GOKBZXHCTYIETF-CQSZACIVSA-N 1 1 387.402 3.742 20 5 GHBDMO Cc1noc(C2(C)CC[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC001474431076 1074402862 /nfs/dbraw/zinc/40/28/62/1074402862.db2.gz BBNTZWVXIISSHA-UHFFFAOYSA-N 1 1 384.358 3.859 20 5 GHBDMO Cc1ccc(CNC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC001476131841 1075090746 /nfs/dbraw/zinc/09/07/46/1075090746.db2.gz VTLGHSGUXUZFAG-INIZCTEOSA-N 1 1 398.463 3.618 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2c1 ZINC001164623473 719060990 /nfs/dbraw/zinc/06/09/90/719060990.db2.gz JMBLRFFLZJPGNO-UTKZUKDTSA-N 1 1 389.459 3.639 20 5 GHBDMO Cc1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164728512 720354524 /nfs/dbraw/zinc/35/45/24/720354524.db2.gz VYTZQSUTCFXIRU-NHCUHLMSSA-N 1 1 389.459 3.700 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])c3ccccc31)[C@@H]2C ZINC001164859973 720953131 /nfs/dbraw/zinc/95/31/31/720953131.db2.gz ORIFASBXQDPUJU-OAHLLOKOSA-N 1 1 394.479 3.761 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000580846192 837415015 /nfs/dbraw/zinc/41/50/15/837415015.db2.gz VLUJMGGKBCWPDY-UHFFFAOYSA-N 1 1 398.394 3.557 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000613234437 837437414 /nfs/dbraw/zinc/43/74/14/837437414.db2.gz YEMMAILOZHZFMC-IRLDBZIGSA-N 1 1 395.503 3.896 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCCc2ccccc21 ZINC000237948600 837503791 /nfs/dbraw/zinc/50/37/91/837503791.db2.gz DEGDPSLIEWGPIP-UHFFFAOYSA-N 1 1 391.427 3.924 20 5 GHBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000180789111 837547338 /nfs/dbraw/zinc/54/73/38/837547338.db2.gz AAXOKHBSMHOVTO-HNNXBMFYSA-N 1 1 376.478 3.951 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000173242976 837609433 /nfs/dbraw/zinc/60/94/33/837609433.db2.gz FNHBEFTUOYHDBP-LJQANCHMSA-N 1 1 383.448 3.523 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000173242976 837609438 /nfs/dbraw/zinc/60/94/38/837609438.db2.gz FNHBEFTUOYHDBP-LJQANCHMSA-N 1 1 383.448 3.523 20 5 GHBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000175272746 834500762 /nfs/dbraw/zinc/50/07/62/834500762.db2.gz NEXFFBFZBWYMLL-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000175272746 834500763 /nfs/dbraw/zinc/50/07/63/834500763.db2.gz NEXFFBFZBWYMLL-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000128192307 834572455 /nfs/dbraw/zinc/57/24/55/834572455.db2.gz AJBOQNKJJGPPNW-IBGZPJMESA-N 1 1 395.415 3.729 20 5 GHBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000128192307 834572463 /nfs/dbraw/zinc/57/24/63/834572463.db2.gz AJBOQNKJJGPPNW-IBGZPJMESA-N 1 1 395.415 3.729 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC000557735679 834573528 /nfs/dbraw/zinc/57/35/28/834573528.db2.gz AAAJRAMYBFLAGJ-HXUWFJFHSA-N 1 1 395.488 3.702 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)o1 ZINC000093766444 834703647 /nfs/dbraw/zinc/70/36/47/834703647.db2.gz GXUGCMBCFKUTQU-QGZVFWFLSA-N 1 1 384.354 3.990 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000510069998 834834364 /nfs/dbraw/zinc/83/43/64/834834364.db2.gz HQGAZPZLXDVHGH-WIYYLYMNSA-N 1 1 395.503 3.944 20 5 GHBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000510072167 834869252 /nfs/dbraw/zinc/86/92/52/834869252.db2.gz UDVVCFUJWMWQHB-QGZVFWFLSA-N 1 1 379.416 3.735 20 5 GHBDMO COc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]2CCCO2)c1 ZINC000430198001 835007817 /nfs/dbraw/zinc/00/78/17/835007817.db2.gz PWSILKFZRVPOBT-FQEVSTJZSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]2CCCO2)c1 ZINC000430198001 835007824 /nfs/dbraw/zinc/00/78/24/835007824.db2.gz PWSILKFZRVPOBT-FQEVSTJZSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cc(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000480580471 835112502 /nfs/dbraw/zinc/11/25/02/835112502.db2.gz QOVYDZFUGPKJAT-FUHWJXTLSA-N 1 1 397.475 3.552 20 5 GHBDMO CC[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000583843867 835134339 /nfs/dbraw/zinc/13/43/39/835134339.db2.gz IHEWIXAYFJJZFA-OAQYLSRUSA-N 1 1 381.476 3.996 20 5 GHBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000065735343 835362656 /nfs/dbraw/zinc/36/26/56/835362656.db2.gz FNYDZEGUGJPYGG-LJQANCHMSA-N 1 1 390.443 3.561 20 5 GHBDMO Cn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179314862 835521994 /nfs/dbraw/zinc/52/19/94/835521994.db2.gz DKGPVCHGTWGXGI-UHFFFAOYSA-N 1 1 381.392 3.536 20 5 GHBDMO Cn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179314862 835522001 /nfs/dbraw/zinc/52/20/01/835522001.db2.gz DKGPVCHGTWGXGI-UHFFFAOYSA-N 1 1 381.392 3.536 20 5 GHBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000179342526 835537602 /nfs/dbraw/zinc/53/76/02/835537602.db2.gz XVJARKABMAKFNV-MRXNPFEDSA-N 1 1 383.448 3.593 20 5 GHBDMO COc1cc(C[N@H+]2CCCO[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000179401307 835667668 /nfs/dbraw/zinc/66/76/68/835667668.db2.gz DQCNGQBAWDRFAY-MRXNPFEDSA-N 1 1 386.448 3.793 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000609152104 835804112 /nfs/dbraw/zinc/80/41/12/835804112.db2.gz DDLXBVHWCAIIAP-KRWDZBQOSA-N 1 1 397.475 3.778 20 5 GHBDMO Cc1c(CC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000510137304 835846535 /nfs/dbraw/zinc/84/65/35/835846535.db2.gz ZOYDXUWNBOANEF-FXAWDEMLSA-N 1 1 395.503 3.863 20 5 GHBDMO Cc1c(CC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000510137308 835846850 /nfs/dbraw/zinc/84/68/50/835846850.db2.gz ZOYDXUWNBOANEF-XLIONFOSSA-N 1 1 395.503 3.863 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032756950 835862290 /nfs/dbraw/zinc/86/22/90/835862290.db2.gz WGQFXJBJSLKALC-UHFFFAOYSA-N 1 1 381.457 3.768 20 5 GHBDMO CCOc1c(Cl)cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000278785171 835937510 /nfs/dbraw/zinc/93/75/10/835937510.db2.gz WACLJOUKCDWYLH-UHFFFAOYSA-N 1 1 390.827 3.822 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](C)Cc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000053017104 835951332 /nfs/dbraw/zinc/95/13/32/835951332.db2.gz KFPCWSQSNPQASU-UHFFFAOYSA-N 1 1 379.416 3.827 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C)Cc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000053017104 835951335 /nfs/dbraw/zinc/95/13/35/835951335.db2.gz KFPCWSQSNPQASU-UHFFFAOYSA-N 1 1 379.416 3.827 20 5 GHBDMO O=C(CC[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411155008 836071119 /nfs/dbraw/zinc/07/11/19/836071119.db2.gz MFEJOBKGPUTBIP-QGZVFWFLSA-N 1 1 389.477 3.666 20 5 GHBDMO CCOC(=O)c1[nH]c(C)c(C(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000411477562 836177444 /nfs/dbraw/zinc/17/74/44/836177444.db2.gz SKRWHDVCVPIZQQ-CYBMUJFWSA-N 1 1 387.436 3.558 20 5 GHBDMO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928798 836182498 /nfs/dbraw/zinc/18/24/98/836182498.db2.gz WBGRPOSCPDYNMW-LBPRGKRZSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928798 836182501 /nfs/dbraw/zinc/18/25/01/836182501.db2.gz WBGRPOSCPDYNMW-LBPRGKRZSA-N 1 1 379.819 3.889 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000548934596 836294505 /nfs/dbraw/zinc/29/45/05/836294505.db2.gz KZLHQQZIZVPMLS-UHFFFAOYSA-N 1 1 395.503 3.550 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000548934596 836294519 /nfs/dbraw/zinc/29/45/19/836294519.db2.gz KZLHQQZIZVPMLS-UHFFFAOYSA-N 1 1 395.503 3.550 20 5 GHBDMO CCC[N@H+](CC(=O)NC)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000511504156 836298002 /nfs/dbraw/zinc/29/80/02/836298002.db2.gz JXCVVATWBCVRBB-UHFFFAOYSA-N 1 1 391.855 3.999 20 5 GHBDMO CCC[N@@H+](CC(=O)NC)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000511504156 836298016 /nfs/dbraw/zinc/29/80/16/836298016.db2.gz JXCVVATWBCVRBB-UHFFFAOYSA-N 1 1 391.855 3.999 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412014157 836332385 /nfs/dbraw/zinc/33/23/85/836332385.db2.gz WLEHTCJSAYVWSP-IBGZPJMESA-N 1 1 390.867 3.868 20 5 GHBDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179918324 836358532 /nfs/dbraw/zinc/35/85/32/836358532.db2.gz XNOSENKZJNIWRI-JTQLQIEISA-N 1 1 381.791 3.685 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000612614251 836484161 /nfs/dbraw/zinc/48/41/61/836484161.db2.gz JGBFDSPAAUULDF-OAHLLOKOSA-N 1 1 386.427 3.862 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000510167797 836488113 /nfs/dbraw/zinc/48/81/13/836488113.db2.gz OIUFDLCIGSDBLM-DOTOQJQBSA-N 1 1 385.439 3.764 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247079241 836742601 /nfs/dbraw/zinc/74/26/01/836742601.db2.gz QUBLENXNJQOKBY-LAUBAEHRSA-N 1 1 397.450 3.861 20 5 GHBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000066124669 836809234 /nfs/dbraw/zinc/80/92/34/836809234.db2.gz KEYIJALYIUWRTA-CVEARBPZSA-N 1 1 399.495 3.623 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000376389337 836915564 /nfs/dbraw/zinc/91/55/64/836915564.db2.gz VZXJTDXHQLOOPM-HNNXBMFYSA-N 1 1 385.468 3.514 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000548975356 837115700 /nfs/dbraw/zinc/11/57/00/837115700.db2.gz YKQMAXQUFNSRDM-AEFFLSMTSA-N 1 1 397.475 3.776 20 5 GHBDMO CCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000247199608 837207051 /nfs/dbraw/zinc/20/70/51/837207051.db2.gz QXDZLQRGOUHOHX-UKRRQHHQSA-N 1 1 383.876 3.856 20 5 GHBDMO CCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000247199608 837207071 /nfs/dbraw/zinc/20/70/71/837207071.db2.gz QXDZLQRGOUHOHX-UKRRQHHQSA-N 1 1 383.876 3.856 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181224135 837873477 /nfs/dbraw/zinc/87/34/77/837873477.db2.gz VVPSGXYMQQUOKY-KXBFYZLASA-N 1 1 394.431 3.902 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000578782224 837909549 /nfs/dbraw/zinc/90/95/49/837909549.db2.gz QFKKZEJSBJRFKT-MRXNPFEDSA-N 1 1 397.504 3.948 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OCC3CCCC3)CC2)c2c(c1)COCO2 ZINC000177504491 837966330 /nfs/dbraw/zinc/96/63/30/837966330.db2.gz WKSVXARLGGAWDY-UHFFFAOYSA-N 1 1 376.453 3.633 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)cc1[N+](=O)[O-] ZINC000122684446 838113715 /nfs/dbraw/zinc/11/37/15/838113715.db2.gz IOOJKJARBDVOEW-KRWDZBQOSA-N 1 1 396.491 3.840 20 5 GHBDMO COc1cc(Br)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1O ZINC000549810395 844320286 /nfs/dbraw/zinc/32/02/86/844320286.db2.gz SRFKNKYEPRNEKV-UHFFFAOYSA-N 1 1 395.253 3.746 20 5 GHBDMO COc1cc(Br)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1O ZINC000549810395 844320298 /nfs/dbraw/zinc/32/02/98/844320298.db2.gz SRFKNKYEPRNEKV-UHFFFAOYSA-N 1 1 395.253 3.746 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000104060824 838612503 /nfs/dbraw/zinc/61/25/03/838612503.db2.gz WKTRYCPYKODKSA-HNNXBMFYSA-N 1 1 386.427 3.768 20 5 GHBDMO O=C(CC[N@H+]1CCc2ccccc2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000416242225 838789900 /nfs/dbraw/zinc/78/99/00/838789900.db2.gz FKHIADXZEWPIRM-OAQYLSRUSA-N 1 1 393.487 3.749 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](Nc4ccccc4)C3)o2)c1 ZINC000104683421 838863488 /nfs/dbraw/zinc/86/34/88/838863488.db2.gz GNLDSRKLKBZICK-GOSISDBHSA-N 1 1 378.432 3.979 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)n2)cc1 ZINC000378511248 839257526 /nfs/dbraw/zinc/25/75/26/839257526.db2.gz JNPGCFNAFCUEKK-LPHOPBHVSA-N 1 1 380.404 3.512 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(C[NH+](C)C)CC2)cc1OC ZINC000543843525 839313063 /nfs/dbraw/zinc/31/30/63/839313063.db2.gz TYLIEDGEMCMYPY-MRXNPFEDSA-N 1 1 393.528 3.802 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083406468 839322082 /nfs/dbraw/zinc/32/20/82/839322082.db2.gz QYFRCRJIUCKZBB-IBGZPJMESA-N 1 1 378.469 3.542 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000610446073 839711731 /nfs/dbraw/zinc/71/17/31/839711731.db2.gz OWLNTUBHZDRYMK-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO COc1ccccc1NC(=O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000052641799 844502087 /nfs/dbraw/zinc/50/20/87/844502087.db2.gz WLPGDAUZQVCTFA-UHFFFAOYSA-N 1 1 387.411 3.593 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000408099028 840216371 /nfs/dbraw/zinc/21/63/71/840216371.db2.gz JAONNWXRYCOJOC-FRRDWIJNSA-N 1 1 383.290 3.594 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000416921913 840272987 /nfs/dbraw/zinc/27/29/87/840272987.db2.gz OTQKTCPORGLJMS-MRXNPFEDSA-N 1 1 382.464 3.950 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000416921913 840272997 /nfs/dbraw/zinc/27/29/97/840272997.db2.gz OTQKTCPORGLJMS-MRXNPFEDSA-N 1 1 382.464 3.950 20 5 GHBDMO CNC(=O)c1ccc(NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000511605129 840486194 /nfs/dbraw/zinc/48/61/94/840486194.db2.gz SXMJRZZBGFSZNZ-AEFFLSMTSA-N 1 1 396.491 3.667 20 5 GHBDMO CCOc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000511786891 840753895 /nfs/dbraw/zinc/75/38/95/840753895.db2.gz OFTDISGCKXYIKS-AQNXPRMDSA-N 1 1 382.460 3.998 20 5 GHBDMO C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181671612 840897295 /nfs/dbraw/zinc/89/72/95/840897295.db2.gz WIZJZZGBHNGGSA-GOEBONIOSA-N 1 1 386.496 3.552 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511846072 840939382 /nfs/dbraw/zinc/93/93/82/840939382.db2.gz SSEZSNDJYAURPC-WTGUMLROSA-N 1 1 382.460 3.603 20 5 GHBDMO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000511701154 841204092 /nfs/dbraw/zinc/20/40/92/841204092.db2.gz FTPCQYKVARGQPP-LJQANCHMSA-N 1 1 397.475 3.634 20 5 GHBDMO O=C(CC[N@H+](CCCO)[C@H]1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000500072488 841371876 /nfs/dbraw/zinc/37/18/76/841371876.db2.gz DDYBJTRUVDNCJR-FQEVSTJZSA-N 1 1 397.475 3.685 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000107601660 841405978 /nfs/dbraw/zinc/40/59/78/841405978.db2.gz RHVOHQQKFRKQLY-GASCZTMLSA-N 1 1 379.526 3.805 20 5 GHBDMO COc1cccc([C@@H]2[C@H](Nc3nc4sccn4c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000302076126 861198331 /nfs/dbraw/zinc/19/83/31/861198331.db2.gz WGZKNTQSNRRMOG-HZPDHXFCSA-N 1 1 399.476 3.703 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000302078133 861198432 /nfs/dbraw/zinc/19/84/32/861198432.db2.gz XADNYBMPYJVPCM-KGLIPLIRSA-N 1 1 397.317 3.843 20 5 GHBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H]1C ZINC000500111310 841464677 /nfs/dbraw/zinc/46/46/77/841464677.db2.gz IEWWBKLSOMRCLZ-IRXDYDNUSA-N 1 1 396.491 3.762 20 5 GHBDMO O=[N+]([O-])c1ccc(CCCCNc2ncnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000119362699 841498655 /nfs/dbraw/zinc/49/86/55/841498655.db2.gz WOVXFBPGACLZKN-UHFFFAOYSA-N 1 1 389.419 3.554 20 5 GHBDMO COc1c(O)ccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000893434714 841519452 /nfs/dbraw/zinc/51/94/52/841519452.db2.gz WYHGVRIDLXDVGI-UHFFFAOYSA-N 1 1 390.411 3.629 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178047665 841617498 /nfs/dbraw/zinc/61/74/98/841617498.db2.gz IXLHPNJLJOKHBR-QGZVFWFLSA-N 1 1 397.475 3.636 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178047665 841617504 /nfs/dbraw/zinc/61/75/04/841617504.db2.gz IXLHPNJLJOKHBR-QGZVFWFLSA-N 1 1 397.475 3.636 20 5 GHBDMO COC(=O)c1cnc(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)s1 ZINC000600190378 861220225 /nfs/dbraw/zinc/22/02/25/861220225.db2.gz OYNMNUXZHMYMGK-UHFFFAOYSA-N 1 1 375.450 3.526 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)nc1 ZINC000302155376 861223332 /nfs/dbraw/zinc/22/33/32/861223332.db2.gz MJAKWFIXGGZFOI-UHFFFAOYSA-N 1 1 399.451 3.575 20 5 GHBDMO CCc1nn(C)c(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000302172232 861229608 /nfs/dbraw/zinc/22/96/08/861229608.db2.gz QCNAENJNIDYWIC-YQVWRLOYSA-N 1 1 383.496 3.603 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000302179310 861231162 /nfs/dbraw/zinc/23/11/62/861231162.db2.gz PZFJMOCUSSDDCP-OXQOHEQNSA-N 1 1 396.491 3.665 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCNc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001167752129 841759450 /nfs/dbraw/zinc/75/94/50/841759450.db2.gz SHYGADKTFXLNQB-INIZCTEOSA-N 1 1 397.479 3.919 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000109306249 841850236 /nfs/dbraw/zinc/85/02/36/841850236.db2.gz VTHZTEFNBUIQPC-QGZVFWFLSA-N 1 1 399.516 3.959 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000569030016 841993694 /nfs/dbraw/zinc/99/36/94/841993694.db2.gz BOLLUCBZLHFGST-INIZCTEOSA-N 1 1 392.839 3.919 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000569030016 841993697 /nfs/dbraw/zinc/99/36/97/841993697.db2.gz BOLLUCBZLHFGST-INIZCTEOSA-N 1 1 392.839 3.919 20 5 GHBDMO COc1ccccc1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000603848102 861268137 /nfs/dbraw/zinc/26/81/37/861268137.db2.gz LHZZGQSZIFSAND-SFHVURJKSA-N 1 1 386.448 3.663 20 5 GHBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471692935 842173305 /nfs/dbraw/zinc/17/33/05/842173305.db2.gz LNXOMAHPWWSPCZ-WIYYLYMNSA-N 1 1 385.464 3.695 20 5 GHBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471692935 842173310 /nfs/dbraw/zinc/17/33/10/842173310.db2.gz LNXOMAHPWWSPCZ-WIYYLYMNSA-N 1 1 385.464 3.695 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000581764754 842179297 /nfs/dbraw/zinc/17/92/97/842179297.db2.gz GIRHYELXSAZUHM-GOSISDBHSA-N 1 1 384.436 3.514 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000581764754 842179300 /nfs/dbraw/zinc/17/93/00/842179300.db2.gz GIRHYELXSAZUHM-GOSISDBHSA-N 1 1 384.436 3.514 20 5 GHBDMO CCS[C@@H]1CCCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112089474 842182218 /nfs/dbraw/zinc/18/22/18/842182218.db2.gz FEWGLDCMBFEWTF-OAHLLOKOSA-N 1 1 381.498 3.540 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000603857865 861282631 /nfs/dbraw/zinc/28/26/31/861282631.db2.gz VUZSQSXNMUNRPR-OAHLLOKOSA-N 1 1 382.464 3.680 20 5 GHBDMO CCC1([NH+]2CCOCC2)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000600208583 861284048 /nfs/dbraw/zinc/28/40/48/861284048.db2.gz MWOBBEFBIUNRTN-UHFFFAOYSA-N 1 1 399.491 3.932 20 5 GHBDMO Cc1cc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc([N+](=O)[O-])c1 ZINC000581841359 842274554 /nfs/dbraw/zinc/27/45/54/842274554.db2.gz FOZAMNFWBDKSPB-IBGZPJMESA-N 1 1 379.416 3.757 20 5 GHBDMO COc1ccc(C(=O)C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000051380576 842323241 /nfs/dbraw/zinc/32/32/41/842323241.db2.gz HPSFEBCPNGFGDC-UHFFFAOYSA-N 1 1 384.432 3.577 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)ccc2c1 ZINC000603871160 861303409 /nfs/dbraw/zinc/30/34/09/861303409.db2.gz QHJMIWLFUMDFCP-UHFFFAOYSA-N 1 1 398.413 3.920 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600229961 861312626 /nfs/dbraw/zinc/31/26/26/861312626.db2.gz YZHHVVKXGOREQD-AWEZNQCLSA-N 1 1 385.386 3.750 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[N@H+]1C1CC1 ZINC000490194475 861310751 /nfs/dbraw/zinc/31/07/51/861310751.db2.gz WECNNXBVNLOTJA-RDJZCZTQSA-N 1 1 394.475 3.562 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582286 843093820 /nfs/dbraw/zinc/09/38/20/843093820.db2.gz BBBHRIAIKVSRIB-MRXNPFEDSA-N 1 1 380.448 3.832 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cs1 ZINC000603933565 861395458 /nfs/dbraw/zinc/39/54/58/861395458.db2.gz QHSKPWXCGVZLQR-UHFFFAOYSA-N 1 1 381.885 3.506 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432603343 843269668 /nfs/dbraw/zinc/26/96/68/843269668.db2.gz UYCPVYZTZHKBNT-UHFFFAOYSA-N 1 1 398.301 3.694 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NCc3ccccc3C[N@@H+]3CCC[C@H]3CO)ccc2c1 ZINC000302889807 861398377 /nfs/dbraw/zinc/39/83/77/861398377.db2.gz PBYUTVRUSOROKE-FQEVSTJZSA-N 1 1 392.459 3.712 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000610669299 843456173 /nfs/dbraw/zinc/45/61/73/843456173.db2.gz QBBUAYZWHYSHRX-SFHVURJKSA-N 1 1 381.476 3.650 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000610676687 843510378 /nfs/dbraw/zinc/51/03/78/843510378.db2.gz XLZDXMLDCVXSBO-KRWDZBQOSA-N 1 1 382.464 3.572 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000610676687 843510387 /nfs/dbraw/zinc/51/03/87/843510387.db2.gz XLZDXMLDCVXSBO-KRWDZBQOSA-N 1 1 382.464 3.572 20 5 GHBDMO CCOC(=O)c1cc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000610716159 843686849 /nfs/dbraw/zinc/68/68/49/843686849.db2.gz XVMDAUNMWQQLBL-GOSISDBHSA-N 1 1 394.431 3.901 20 5 GHBDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000513158427 844753139 /nfs/dbraw/zinc/75/31/39/844753139.db2.gz HOTVAFPLDPIMRY-SFHVURJKSA-N 1 1 380.803 3.955 20 5 GHBDMO C[N@@H+](CCCOc1ccc(Cl)cc1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000555653327 861505068 /nfs/dbraw/zinc/50/50/68/861505068.db2.gz AFIRBPMFMRRRRB-UHFFFAOYSA-N 1 1 391.855 3.978 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000176215912 844866101 /nfs/dbraw/zinc/86/61/01/844866101.db2.gz QKVSUAOWLYWQTA-CYBMUJFWSA-N 1 1 388.493 3.841 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000176215912 844866109 /nfs/dbraw/zinc/86/61/09/844866109.db2.gz QKVSUAOWLYWQTA-CYBMUJFWSA-N 1 1 388.493 3.841 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000151158020 844999719 /nfs/dbraw/zinc/99/97/19/844999719.db2.gz ULDLWORQSFMCTC-INIZCTEOSA-N 1 1 399.447 3.562 20 5 GHBDMO COc1ccnc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000513375318 845331559 /nfs/dbraw/zinc/33/15/59/845331559.db2.gz IKYZQEOVFNRBDB-UHFFFAOYSA-N 1 1 394.431 3.581 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235688 845371872 /nfs/dbraw/zinc/37/18/72/845371872.db2.gz DLDYSIYXGLCNKU-QGZVFWFLSA-N 1 1 380.448 3.736 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843811544 861567068 /nfs/dbraw/zinc/56/70/68/861567068.db2.gz PRPCDTBQYGSMSM-KRWDZBQOSA-N 1 1 385.439 3.636 20 5 GHBDMO CCC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000513503095 845559982 /nfs/dbraw/zinc/55/99/82/845559982.db2.gz LDNFHAHIEQXOKI-AWEZNQCLSA-N 1 1 388.411 3.986 20 5 GHBDMO CC(C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000120053282 846052654 /nfs/dbraw/zinc/05/26/54/846052654.db2.gz BWVUCCPUALKFSQ-HXUWFJFHSA-N 1 1 385.439 3.547 20 5 GHBDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157686961 846087388 /nfs/dbraw/zinc/08/73/88/846087388.db2.gz QWSGZSNFHGHVGY-NSHDSACASA-N 1 1 393.875 3.797 20 5 GHBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000421380434 846190719 /nfs/dbraw/zinc/19/07/19/846190719.db2.gz JNQJLKKCQHWRBC-CQSZACIVSA-N 1 1 389.839 3.608 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000421562588 846338046 /nfs/dbraw/zinc/33/80/46/846338046.db2.gz SOAQRQDMMVMOSS-WOJBJXKFSA-N 1 1 393.487 3.806 20 5 GHBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000513702149 846506749 /nfs/dbraw/zinc/50/67/49/846506749.db2.gz FFLVSFUFBAWTRM-UTKZUKDTSA-N 1 1 394.475 3.860 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501027448 846562720 /nfs/dbraw/zinc/56/27/20/846562720.db2.gz WJYGOKBSTNZOJW-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501027448 846562725 /nfs/dbraw/zinc/56/27/25/846562725.db2.gz WJYGOKBSTNZOJW-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501126819 846655194 /nfs/dbraw/zinc/65/51/94/846655194.db2.gz DGCRGRUFFSYPPT-IBGZPJMESA-N 1 1 383.448 3.941 20 5 GHBDMO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511093278 846691562 /nfs/dbraw/zinc/69/15/62/846691562.db2.gz VGNMHUZLRUTFQC-UHFFFAOYSA-N 1 1 391.855 3.678 20 5 GHBDMO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511093278 846691567 /nfs/dbraw/zinc/69/15/67/846691567.db2.gz VGNMHUZLRUTFQC-UHFFFAOYSA-N 1 1 391.855 3.678 20 5 GHBDMO Cc1nsc(N2CCC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n1 ZINC000131811140 861708844 /nfs/dbraw/zinc/70/88/44/861708844.db2.gz RTJVWMINPTZLMW-UHFFFAOYSA-N 1 1 399.476 3.727 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCN(c3cccnn3)CC2)s1 ZINC000093150328 846790193 /nfs/dbraw/zinc/79/01/93/846790193.db2.gz OKWOKAKABAZGRE-UHFFFAOYSA-N 1 1 395.488 3.826 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C[C@H](C)O1 ZINC000413182682 846874684 /nfs/dbraw/zinc/87/46/84/846874684.db2.gz SUOYVJXOMIWZSI-CALCHBBNSA-N 1 1 398.507 3.859 20 5 GHBDMO CC[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000501381684 846893343 /nfs/dbraw/zinc/89/33/43/846893343.db2.gz KZZDPXLADNHTMM-IBGZPJMESA-N 1 1 382.464 3.862 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1c1ccc(Cl)c(Cl)c1 ZINC000478258961 847027727 /nfs/dbraw/zinc/02/77/27/847027727.db2.gz UIGYFCXIYYFLJS-MRXNPFEDSA-N 1 1 398.221 3.936 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000127532563 847044224 /nfs/dbraw/zinc/04/42/24/847044224.db2.gz YJTBXDQMUUSVRE-UHFFFAOYSA-N 1 1 382.464 3.782 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000127590961 847109034 /nfs/dbraw/zinc/10/90/34/847109034.db2.gz KSIOKUHBSXTYEV-SFHVURJKSA-N 1 1 382.464 3.998 20 5 GHBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000501852075 847258563 /nfs/dbraw/zinc/25/85/63/847258563.db2.gz TVFFBYPJRLIRHM-CQSZACIVSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000501852075 847258573 /nfs/dbraw/zinc/25/85/73/847258573.db2.gz TVFFBYPJRLIRHM-CQSZACIVSA-N 1 1 385.247 3.773 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183389820 847400943 /nfs/dbraw/zinc/40/09/43/847400943.db2.gz VXUDUVRWCBZYCM-SFHVURJKSA-N 1 1 387.411 3.524 20 5 GHBDMO CC(C)(NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431434962 847498451 /nfs/dbraw/zinc/49/84/51/847498451.db2.gz XTXUGHGRVKGZTC-KRWDZBQOSA-N 1 1 399.466 3.997 20 5 GHBDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 ZINC000127813157 847543610 /nfs/dbraw/zinc/54/36/10/847543610.db2.gz MKMDDMIXFHTCBU-UHFFFAOYSA-N 1 1 382.464 3.870 20 5 GHBDMO Cc1cc(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c[nH+]c1N1CCCC[C@H]1C ZINC000503288539 847561945 /nfs/dbraw/zinc/56/19/45/847561945.db2.gz WGBCIWSHUCCTMN-CYBMUJFWSA-N 1 1 397.435 3.752 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCCC3)cc2C)c([N+](=O)[O-])c1 ZINC000052774242 847942989 /nfs/dbraw/zinc/94/29/89/847942989.db2.gz BPAZAZAQPTUEKX-OAHLLOKOSA-N 1 1 398.463 3.951 20 5 GHBDMO COc1ccccc1C(C)(C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560428 848150184 /nfs/dbraw/zinc/15/01/84/848150184.db2.gz CGBGWRVKGGHTAU-HXUWFJFHSA-N 1 1 394.475 3.994 20 5 GHBDMO Cc1cc(-c2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc([N+](=O)[O-])c1 ZINC000582827457 848491335 /nfs/dbraw/zinc/49/13/35/848491335.db2.gz OQFZBISOJFQKEA-INIZCTEOSA-N 1 1 379.420 3.728 20 5 GHBDMO COCC[N@@H+](C)CC[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000583451280 849921078 /nfs/dbraw/zinc/92/10/78/849921078.db2.gz PYHVCOCWDSIGIO-RTWAWAEBSA-N 1 1 383.492 3.881 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC001269899482 850073841 /nfs/dbraw/zinc/07/38/41/850073841.db2.gz IJRDQLCRTIGRSP-OAQYLSRUSA-N 1 1 399.466 3.693 20 5 GHBDMO Cc1nc(CN2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cs1 ZINC000506632370 850214447 /nfs/dbraw/zinc/21/44/47/850214447.db2.gz RYTDCIXXUDWYEM-UHFFFAOYSA-N 1 1 398.488 3.938 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000514771605 850269727 /nfs/dbraw/zinc/26/97/27/850269727.db2.gz UIOVKILAIJUFSZ-HOTGVXAUSA-N 1 1 383.448 3.730 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000514771607 850269826 /nfs/dbraw/zinc/26/98/26/850269826.db2.gz UIOVKILAIJUFSZ-HZPDHXFCSA-N 1 1 383.448 3.730 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486937909 850280171 /nfs/dbraw/zinc/28/01/71/850280171.db2.gz IFITVQAWSGSCQG-KRWDZBQOSA-N 1 1 393.447 3.603 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCO)C3CCC3)o2)c(Br)c1 ZINC000439789703 850403071 /nfs/dbraw/zinc/40/30/71/850403071.db2.gz QXKNNNWPWFSALY-UHFFFAOYSA-N 1 1 395.253 3.964 20 5 GHBDMO C[C@H]([NH3+])[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435381040 850446691 /nfs/dbraw/zinc/44/66/91/850446691.db2.gz UTMRAXUWASILQJ-FUHWJXTLSA-N 1 1 391.475 3.617 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000439903337 850549167 /nfs/dbraw/zinc/54/91/67/850549167.db2.gz POQVSHXNDKQNMV-KRWDZBQOSA-N 1 1 398.463 3.637 20 5 GHBDMO COc1ccc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000506775042 850872509 /nfs/dbraw/zinc/87/25/09/850872509.db2.gz IBWAQLMCVUJISS-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000506775042 850872514 /nfs/dbraw/zinc/87/25/14/850872514.db2.gz IBWAQLMCVUJISS-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000438004277 850967330 /nfs/dbraw/zinc/96/73/30/850967330.db2.gz UKHVWBBRYULZDT-INIZCTEOSA-N 1 1 388.512 3.779 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435936059 851009014 /nfs/dbraw/zinc/00/90/14/851009014.db2.gz FUNYSSNXSOPLFB-IBGZPJMESA-N 1 1 397.478 3.686 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435936059 851009025 /nfs/dbraw/zinc/00/90/25/851009025.db2.gz FUNYSSNXSOPLFB-IBGZPJMESA-N 1 1 397.478 3.686 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1C ZINC000488037829 851098880 /nfs/dbraw/zinc/09/88/80/851098880.db2.gz WRJJMYFNYBATAN-ZDUSSCGKSA-N 1 1 375.400 3.510 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C ZINC000488037829 851098884 /nfs/dbraw/zinc/09/88/84/851098884.db2.gz WRJJMYFNYBATAN-ZDUSSCGKSA-N 1 1 375.400 3.510 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])sc2C1 ZINC000425078565 851105474 /nfs/dbraw/zinc/10/54/74/851105474.db2.gz KNPICIPWVPMABP-UHFFFAOYSA-N 1 1 378.429 3.599 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000488054089 851126111 /nfs/dbraw/zinc/12/61/11/851126111.db2.gz PRZKQLUSXBLWLX-SJLPKXTDSA-N 1 1 396.491 3.965 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000436132914 851244660 /nfs/dbraw/zinc/24/46/60/851244660.db2.gz UMJXGHUHVDVVMB-GOSISDBHSA-N 1 1 397.475 3.887 20 5 GHBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C2 ZINC000436395704 851565732 /nfs/dbraw/zinc/56/57/32/851565732.db2.gz YCSYUXIRIWEDRQ-JTQLQIEISA-N 1 1 383.374 3.930 20 5 GHBDMO COc1cccc(-c2nc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cs2)c1 ZINC000488770228 851759911 /nfs/dbraw/zinc/75/99/11/851759911.db2.gz OYBDUBCUSOTVDG-UHFFFAOYSA-N 1 1 399.476 3.761 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000550220082 851992439 /nfs/dbraw/zinc/99/24/39/851992439.db2.gz KQPUWXDLTZEEHK-NEPJUHHUSA-N 1 1 398.301 3.516 20 5 GHBDMO CNC(=O)C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000481829925 862340156 /nfs/dbraw/zinc/34/01/56/862340156.db2.gz HYUIBDLEOPBQHR-SFHVURJKSA-N 1 1 379.416 3.822 20 5 GHBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000366652127 852373703 /nfs/dbraw/zinc/37/37/03/852373703.db2.gz JUPJUIICJDHJES-PMACEKPBSA-N 1 1 398.850 3.793 20 5 GHBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000366652127 852373705 /nfs/dbraw/zinc/37/37/05/852373705.db2.gz JUPJUIICJDHJES-PMACEKPBSA-N 1 1 398.850 3.793 20 5 GHBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505904064 852513670 /nfs/dbraw/zinc/51/36/70/852513670.db2.gz MCQOQTSEIWWCPV-UHFFFAOYSA-N 1 1 392.400 3.551 20 5 GHBDMO C[C@H](c1cccc(NCc2c(F)cc([N+](=O)[O-])cc2F)c1)[NH+]1CCOCC1 ZINC000506278462 852560736 /nfs/dbraw/zinc/56/07/36/852560736.db2.gz FDXHZBFFTMXTJM-CYBMUJFWSA-N 1 1 377.391 3.878 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cnn(C)c2C)cc1OC ZINC000543518332 862373534 /nfs/dbraw/zinc/37/35/34/862373534.db2.gz OGAVWLUCADYQCR-KGLIPLIRSA-N 1 1 390.484 3.921 20 5 GHBDMO Cc1c(Br)c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000516602199 852764154 /nfs/dbraw/zinc/76/41/54/852764154.db2.gz FBZXOVSOSJTKMO-JSGCOSHPSA-N 1 1 395.301 3.514 20 5 GHBDMO COc1cc(C[N@@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490355880 852976147 /nfs/dbraw/zinc/97/61/47/852976147.db2.gz RJHKYIPIZZPGMD-INIZCTEOSA-N 1 1 390.452 3.821 20 5 GHBDMO COc1cc(C[N@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490355880 852976151 /nfs/dbraw/zinc/97/61/51/852976151.db2.gz RJHKYIPIZZPGMD-INIZCTEOSA-N 1 1 390.452 3.821 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000518413030 853316649 /nfs/dbraw/zinc/31/66/49/853316649.db2.gz SMGFGPOGRFRWBG-HMXCVIKNSA-N 1 1 392.459 3.785 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+](CCCO)Cc3ccccn3)o2)c([N+](=O)[O-])c1 ZINC000517110966 853393022 /nfs/dbraw/zinc/39/30/22/853393022.db2.gz NCLPAHIVTBCESC-UHFFFAOYSA-N 1 1 397.431 3.643 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+](CCCO)Cc3ccccn3)o2)c([N+](=O)[O-])c1 ZINC000517110966 853393028 /nfs/dbraw/zinc/39/30/28/853393028.db2.gz NCLPAHIVTBCESC-UHFFFAOYSA-N 1 1 397.431 3.643 20 5 GHBDMO Cc1cc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000491124667 853464349 /nfs/dbraw/zinc/46/43/49/853464349.db2.gz VJVMPKPQVKRKCW-UHFFFAOYSA-N 1 1 397.479 3.633 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000426379408 853629032 /nfs/dbraw/zinc/62/90/32/853629032.db2.gz SXYCVGFSRDUAIQ-HWKANZROSA-N 1 1 397.294 3.927 20 5 GHBDMO CC[NH+](CC)Cc1ccccc1CN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025702571 853689302 /nfs/dbraw/zinc/68/93/02/853689302.db2.gz UVHHQUADGXZZGM-MRXNPFEDSA-N 1 1 384.480 3.553 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000440934755 853767441 /nfs/dbraw/zinc/76/74/41/853767441.db2.gz UKNCWJDUFGGRJX-YJBOKZPZSA-N 1 1 394.475 3.562 20 5 GHBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)[C@@H](C)C1 ZINC000587519549 853800648 /nfs/dbraw/zinc/80/06/48/853800648.db2.gz MIBQHZSQTUNMDF-AWEZNQCLSA-N 1 1 377.510 3.796 20 5 GHBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)[C@@H](C)C1 ZINC000587519549 853800657 /nfs/dbraw/zinc/80/06/57/853800657.db2.gz MIBQHZSQTUNMDF-AWEZNQCLSA-N 1 1 377.510 3.796 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000587978362 854056762 /nfs/dbraw/zinc/05/67/62/854056762.db2.gz VILUNUIBMRZZDD-UONOGXRCSA-N 1 1 375.498 3.690 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCc4c[nH+]cn4C3)c([N+](=O)[O-])c2)cc1 ZINC000588067768 854091813 /nfs/dbraw/zinc/09/18/13/854091813.db2.gz OHFMQTVRPDGWNF-QGZVFWFLSA-N 1 1 391.431 3.779 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000588985438 854629842 /nfs/dbraw/zinc/62/98/42/854629842.db2.gz YZJBXGTYFCFAQT-OAQYLSRUSA-N 1 1 388.439 3.560 20 5 GHBDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589199735 854744421 /nfs/dbraw/zinc/74/44/21/854744421.db2.gz FUVHYUFOZFNCDB-MRXNPFEDSA-N 1 1 386.452 3.823 20 5 GHBDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589199735 854744427 /nfs/dbraw/zinc/74/44/27/854744427.db2.gz FUVHYUFOZFNCDB-MRXNPFEDSA-N 1 1 386.452 3.823 20 5 GHBDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000732979054 862634543 /nfs/dbraw/zinc/63/45/43/862634543.db2.gz CURYCYJPUDKECO-HXUWFJFHSA-N 1 1 396.447 3.650 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399045 855074155 /nfs/dbraw/zinc/07/41/55/855074155.db2.gz VGDXDCOWGOPNNG-UHOSZYNNSA-N 1 1 387.524 3.933 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000590035774 855244042 /nfs/dbraw/zinc/24/40/42/855244042.db2.gz AWYXFKBPUNWYEJ-SFHVURJKSA-N 1 1 395.503 3.995 20 5 GHBDMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590422665 855401466 /nfs/dbraw/zinc/40/14/66/855401466.db2.gz DAZPLQNBOUGIQP-XLIONFOSSA-N 1 1 381.476 3.727 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000590600077 855505372 /nfs/dbraw/zinc/50/53/72/855505372.db2.gz KASKYTXYSIYENL-ZDUSSCGKSA-N 1 1 393.390 3.979 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591018907 855713367 /nfs/dbraw/zinc/71/33/67/855713367.db2.gz KORFLWVJZKFLMI-FCHUYYIVSA-N 1 1 393.487 3.741 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3cc(F)ccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000591015044 855722606 /nfs/dbraw/zinc/72/26/06/855722606.db2.gz YPNKTILAYZVRSH-CYBMUJFWSA-N 1 1 387.411 3.690 20 5 GHBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000164195294 862717700 /nfs/dbraw/zinc/71/77/00/862717700.db2.gz DBEJJCAZWZPVCU-OXQOHEQNSA-N 1 1 395.459 3.943 20 5 GHBDMO COc1ccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000058950233 862721107 /nfs/dbraw/zinc/72/11/07/862721107.db2.gz KCHSSRWMLCQWAT-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000574765494 855849242 /nfs/dbraw/zinc/84/92/42/855849242.db2.gz LXNBIYZHNADMGF-QAPCUYQASA-N 1 1 384.432 3.730 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000591266040 855873117 /nfs/dbraw/zinc/87/31/17/855873117.db2.gz QYUKKHMOVQJHJG-FQEVSTJZSA-N 1 1 396.443 3.735 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000591266040 855873120 /nfs/dbraw/zinc/87/31/20/855873120.db2.gz QYUKKHMOVQJHJG-FQEVSTJZSA-N 1 1 396.443 3.735 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000591278626 855880142 /nfs/dbraw/zinc/88/01/42/855880142.db2.gz ZYZXCDNFWZMXFO-IBGZPJMESA-N 1 1 391.475 3.679 20 5 GHBDMO C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542866745 856218325 /nfs/dbraw/zinc/21/83/25/856218325.db2.gz HHCNQNYEGXERKJ-GXTWGEPZSA-N 1 1 397.422 3.579 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCCC[C@@H]3O)o2)cc1 ZINC000281028054 862811020 /nfs/dbraw/zinc/81/10/20/862811020.db2.gz OXNLOXRNMAHDCW-KURKYZTESA-N 1 1 386.452 3.550 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000507904956 856677875 /nfs/dbraw/zinc/67/78/75/856677875.db2.gz LSBXFKJSHLWVEE-UHFFFAOYSA-N 1 1 383.383 3.559 20 5 GHBDMO C[C@H](C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000248456952 856678454 /nfs/dbraw/zinc/67/84/54/856678454.db2.gz LZNHWHRDXSAAAN-GHMZBOCLSA-N 1 1 382.873 3.767 20 5 GHBDMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000248456952 856678465 /nfs/dbraw/zinc/67/84/65/856678465.db2.gz LZNHWHRDXSAAAN-GHMZBOCLSA-N 1 1 382.873 3.767 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592139500 856688714 /nfs/dbraw/zinc/68/87/14/856688714.db2.gz HCFDMUVAVZUABT-HXUWFJFHSA-N 1 1 397.475 3.505 20 5 GHBDMO Cc1ccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC2CC2)cn1 ZINC000592146481 856702865 /nfs/dbraw/zinc/70/28/65/856702865.db2.gz RCRWNQQWAXXQLG-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC2CC2)cn1 ZINC000592146481 856702874 /nfs/dbraw/zinc/70/28/74/856702874.db2.gz RCRWNQQWAXXQLG-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+](CCO)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000131786584 856815915 /nfs/dbraw/zinc/81/59/15/856815915.db2.gz YCHUEACKGINBKI-UHFFFAOYSA-N 1 1 392.459 3.752 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+](CCO)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000131786584 856815927 /nfs/dbraw/zinc/81/59/27/856815927.db2.gz YCHUEACKGINBKI-UHFFFAOYSA-N 1 1 392.459 3.752 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000485728878 857000903 /nfs/dbraw/zinc/00/09/03/857000903.db2.gz CSCDIEGLMNFVTF-CYBMUJFWSA-N 1 1 389.452 3.598 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000485728878 857000909 /nfs/dbraw/zinc/00/09/09/857000909.db2.gz CSCDIEGLMNFVTF-CYBMUJFWSA-N 1 1 389.452 3.598 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592693924 857028136 /nfs/dbraw/zinc/02/81/36/857028136.db2.gz BQMFFVUTPOSRQO-LJQANCHMSA-N 1 1 397.475 3.729 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)cc1 ZINC000245808924 857178008 /nfs/dbraw/zinc/17/80/08/857178008.db2.gz BXHFKCFXIXEPCY-RBUKOAKNSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)cc1 ZINC000245808924 857178015 /nfs/dbraw/zinc/17/80/15/857178015.db2.gz BXHFKCFXIXEPCY-RBUKOAKNSA-N 1 1 398.850 3.905 20 5 GHBDMO Cc1c(CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245917758 857198086 /nfs/dbraw/zinc/19/80/86/857198086.db2.gz FVDCCKMAQNXXOF-LAUBAEHRSA-N 1 1 395.503 3.957 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](n4cc(C)cn4)C3)o2)c([N+](=O)[O-])c1 ZINC000574127964 857252233 /nfs/dbraw/zinc/25/22/33/857252233.db2.gz WGOLPVUZTZBKLU-OAHLLOKOSA-N 1 1 382.420 3.815 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000041825221 857287232 /nfs/dbraw/zinc/28/72/32/857287232.db2.gz NUWCSVGXYRIIIJ-UHFFFAOYSA-N 1 1 399.447 3.562 20 5 GHBDMO COc1ccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592427683 857403502 /nfs/dbraw/zinc/40/35/02/857403502.db2.gz PVVWXYAEQXLWNC-QFBILLFUSA-N 1 1 399.491 3.742 20 5 GHBDMO Cc1cc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301720862 857426515 /nfs/dbraw/zinc/42/65/15/857426515.db2.gz QCBPZUPOBZYSGI-MRXNPFEDSA-N 1 1 392.463 3.553 20 5 GHBDMO O=[N+]([O-])c1ccc(/C=C/c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000521044838 857536937 /nfs/dbraw/zinc/53/69/37/857536937.db2.gz ZQVKDMBKWHKKOH-BJMVGYQFSA-N 1 1 392.415 3.647 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001129152948 857704460 /nfs/dbraw/zinc/70/44/60/857704460.db2.gz VAESOBOWPQFLII-UZLBHIALSA-N 1 1 377.460 3.513 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486434714 857734423 /nfs/dbraw/zinc/73/44/23/857734423.db2.gz PYGVVPUQNQGGQW-MMENNXSTSA-N 1 1 394.475 3.997 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000301794512 857768028 /nfs/dbraw/zinc/76/80/28/857768028.db2.gz SKXLQBKIQQGZGP-WBMJQRKESA-N 1 1 380.286 3.810 20 5 GHBDMO Cc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521235524 857777631 /nfs/dbraw/zinc/77/76/31/857777631.db2.gz VKQHZXMOTQGCKE-UHFFFAOYSA-N 1 1 383.496 3.917 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3c(F)cc([N+](=O)[O-])cc3F)c2)CCO1 ZINC000301808201 857829888 /nfs/dbraw/zinc/82/98/88/857829888.db2.gz WSNQUCWURIHLLI-ZDUSSCGKSA-N 1 1 377.391 3.706 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3c(F)cc([N+](=O)[O-])cc3F)c2)CCO1 ZINC000301808201 857829895 /nfs/dbraw/zinc/82/98/95/857829895.db2.gz WSNQUCWURIHLLI-ZDUSSCGKSA-N 1 1 377.391 3.706 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[NH+](C2CCC2)CC1 ZINC000499639245 857980685 /nfs/dbraw/zinc/98/06/85/857980685.db2.gz DCMLJZCMRVSKRI-UHFFFAOYSA-N 1 1 381.432 3.697 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000255568906 858006574 /nfs/dbraw/zinc/00/65/74/858006574.db2.gz UUOQXBCITJSQKK-GINYUPMKSA-N 1 1 380.448 3.662 20 5 GHBDMO C[N@@H+](CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000521483012 858054311 /nfs/dbraw/zinc/05/43/11/858054311.db2.gz HOQKVYJQKNPWEB-UHFFFAOYSA-N 1 1 396.491 3.811 20 5 GHBDMO Cc1[nH+]cn(CCCCc2noc(COc3ccc([N+](=O)[O-])c(C)c3)n2)c1C ZINC000594533421 858213823 /nfs/dbraw/zinc/21/38/23/858213823.db2.gz AFFDJGYBTISRPE-UHFFFAOYSA-N 1 1 385.424 3.701 20 5 GHBDMO C[C@@H](O)C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594616873 858232706 /nfs/dbraw/zinc/23/27/06/858232706.db2.gz WSZVSQKWDUMFTN-MRXNPFEDSA-N 1 1 392.459 3.793 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC000059376201 858347533 /nfs/dbraw/zinc/34/75/33/858347533.db2.gz GAFPQMKJEDGBLU-KXBFYZLASA-N 1 1 376.840 3.825 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000595050994 858379924 /nfs/dbraw/zinc/37/99/24/858379924.db2.gz WINCQXUOHHZZOK-XLIONFOSSA-N 1 1 399.491 3.545 20 5 GHBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000574885771 858385266 /nfs/dbraw/zinc/38/52/66/858385266.db2.gz VWCYHPZPULSOHE-LJQANCHMSA-N 1 1 389.452 3.520 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000521984130 858510483 /nfs/dbraw/zinc/51/04/83/858510483.db2.gz QYNZMKRLLXUWKP-HNNXBMFYSA-N 1 1 379.526 3.704 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000595564442 858554894 /nfs/dbraw/zinc/55/48/94/858554894.db2.gz ZBKVHHBGEUTBAY-OAHLLOKOSA-N 1 1 388.317 3.846 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595755133 858676517 /nfs/dbraw/zinc/67/65/17/858676517.db2.gz GYMFNPNTVUNKGC-GFCCVEGCSA-N 1 1 376.375 3.819 20 5 GHBDMO COc1cc(NCc2ccccc2C[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596060586 858767040 /nfs/dbraw/zinc/76/70/40/858767040.db2.gz BSHGVVBNHOUHES-UHFFFAOYSA-N 1 1 391.855 3.701 20 5 GHBDMO O=c1[nH]ccc(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000596076287 858773434 /nfs/dbraw/zinc/77/34/34/858773434.db2.gz OQSBNLJXBFEMHH-QGZVFWFLSA-N 1 1 396.472 3.968 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)O1 ZINC000596614197 858967437 /nfs/dbraw/zinc/96/74/37/858967437.db2.gz OICFUCOWXBZKJN-ACJLOTCBSA-N 1 1 398.394 3.746 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)O1 ZINC000596614197 858967452 /nfs/dbraw/zinc/96/74/52/858967452.db2.gz OICFUCOWXBZKJN-ACJLOTCBSA-N 1 1 398.394 3.746 20 5 GHBDMO COc1ccc(C[C@@H](C)[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 ZINC001170330107 881369880 /nfs/dbraw/zinc/36/98/80/881369880.db2.gz YVNOHSTUCCKSNQ-CQSZACIVSA-N 1 1 391.418 3.635 20 5 GHBDMO C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439314459 859054587 /nfs/dbraw/zinc/05/45/87/859054587.db2.gz JZXZBJTVYYYNHI-FUHWJXTLSA-N 1 1 388.489 3.637 20 5 GHBDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439314459 859054589 /nfs/dbraw/zinc/05/45/89/859054589.db2.gz JZXZBJTVYYYNHI-FUHWJXTLSA-N 1 1 388.489 3.637 20 5 GHBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000190506833 859079189 /nfs/dbraw/zinc/07/91/89/859079189.db2.gz KCMSBVYFDGVVNL-AWEZNQCLSA-N 1 1 396.447 3.934 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000596900752 859137617 /nfs/dbraw/zinc/13/76/17/859137617.db2.gz VXMRTWAWHVGVAP-LLVKDONJSA-N 1 1 399.289 3.599 20 5 GHBDMO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)cc1OC(F)F ZINC000301930871 859138927 /nfs/dbraw/zinc/13/89/27/859138927.db2.gz NEJVNQNFQMCGRB-UHFFFAOYSA-N 1 1 379.363 3.772 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCc3nn(-c4ccccc4)cc3C2)c([N+](=O)[O-])c1 ZINC001170352876 881389601 /nfs/dbraw/zinc/38/96/01/881389601.db2.gz SMYRRHOWRGGUPT-MRXNPFEDSA-N 1 1 392.459 3.778 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1OC(F)(F)F ZINC000025255456 859206014 /nfs/dbraw/zinc/20/60/14/859206014.db2.gz JYJWLWMIZNQKTQ-UHFFFAOYSA-N 1 1 397.353 3.954 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1Cl ZINC000550568156 859276739 /nfs/dbraw/zinc/27/67/39/859276739.db2.gz HZBZZJBNSQMYNY-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO CC(C)[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccccc1 ZINC000474146812 859310421 /nfs/dbraw/zinc/31/04/21/859310421.db2.gz XWDNJYNARYSAEJ-KRWDZBQOSA-N 1 1 387.505 3.854 20 5 GHBDMO COc1c(O)ccc(C[NH2+]Cc2sc(C)cc2Br)c1[N+](=O)[O-] ZINC000895380250 859322173 /nfs/dbraw/zinc/32/21/73/859322173.db2.gz KCJLTNRFVVLPEO-UHFFFAOYSA-N 1 1 387.255 3.731 20 5 GHBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC[C@H]2N1 ZINC000597205848 859360286 /nfs/dbraw/zinc/36/02/86/859360286.db2.gz LIHURCIBIGIWPV-SJKOYZFVSA-N 1 1 389.839 3.609 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000611215807 859652766 /nfs/dbraw/zinc/65/27/66/859652766.db2.gz FQZHVARDHCZDGM-CQSZACIVSA-N 1 1 377.510 3.701 20 5 GHBDMO COc1ccccc1C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1cccs1 ZINC000611442682 859763073 /nfs/dbraw/zinc/76/30/73/859763073.db2.gz AOTYQMROFRGGMV-UHFFFAOYSA-N 1 1 386.477 3.872 20 5 GHBDMO COc1ccccc1C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1cccs1 ZINC000611442682 859763077 /nfs/dbraw/zinc/76/30/77/859763077.db2.gz AOTYQMROFRGGMV-UHFFFAOYSA-N 1 1 386.477 3.872 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](CO)C(C)C)cc1 ZINC000611518082 859796750 /nfs/dbraw/zinc/79/67/50/859796750.db2.gz JRDWTTVWBHMLLE-LJQANCHMSA-N 1 1 399.447 3.764 20 5 GHBDMO CCC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146258 859832805 /nfs/dbraw/zinc/83/28/05/859832805.db2.gz NLRHGMJZDJBDKM-ACIOBRDBSA-N 1 1 397.519 3.909 20 5 GHBDMO CCC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146258 859832813 /nfs/dbraw/zinc/83/28/13/859832813.db2.gz NLRHGMJZDJBDKM-ACIOBRDBSA-N 1 1 397.519 3.909 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000060693070 859832913 /nfs/dbraw/zinc/83/29/13/859832913.db2.gz DQYRXZRQZITCFU-CVEARBPZSA-N 1 1 379.526 3.704 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000555070369 859969330 /nfs/dbraw/zinc/96/93/30/859969330.db2.gz BYBRZWPCNQVFIR-FQEVSTJZSA-N 1 1 389.402 3.942 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@](F)(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000555070369 859969337 /nfs/dbraw/zinc/96/93/37/859969337.db2.gz BYBRZWPCNQVFIR-FQEVSTJZSA-N 1 1 389.402 3.942 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000092004110 859974244 /nfs/dbraw/zinc/97/42/44/859974244.db2.gz UUOQXBCITJSQKK-WEBJUUICSA-N 1 1 380.448 3.662 20 5 GHBDMO C[N@H+](Cc1ccc2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)sc2c1)C1CC1 ZINC000598029511 860010171 /nfs/dbraw/zinc/01/01/71/860010171.db2.gz RDSNCJVMHWRWQJ-UHFFFAOYSA-N 1 1 398.444 3.757 20 5 GHBDMO C[N@@H+](Cc1ccc2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)sc2c1)C1CC1 ZINC000598029511 860010179 /nfs/dbraw/zinc/01/01/79/860010179.db2.gz RDSNCJVMHWRWQJ-UHFFFAOYSA-N 1 1 398.444 3.757 20 5 GHBDMO Cc1c(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000252743779 860010898 /nfs/dbraw/zinc/01/08/98/860010898.db2.gz AUGJPFRARYYTAF-PXNSSMCTSA-N 1 1 387.867 3.661 20 5 GHBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000252743779 860010905 /nfs/dbraw/zinc/01/09/05/860010905.db2.gz AUGJPFRARYYTAF-PXNSSMCTSA-N 1 1 387.867 3.661 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000494291943 881493760 /nfs/dbraw/zinc/49/37/60/881493760.db2.gz AWXKRRNOSQJQIY-DTQAZKPQSA-N 1 1 383.448 3.967 20 5 GHBDMO C[NH+](C)CC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000602494479 860058724 /nfs/dbraw/zinc/05/87/24/860058724.db2.gz GXQCKFLVAQQDKN-UHFFFAOYSA-N 1 1 396.369 3.726 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000494291944 881497079 /nfs/dbraw/zinc/49/70/79/881497079.db2.gz AWXKRRNOSQJQIY-SSZFMOIBSA-N 1 1 383.448 3.967 20 5 GHBDMO COc1ccc(C[C@@H](C)N2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001170351674 881496280 /nfs/dbraw/zinc/49/62/80/881496280.db2.gz HETDSXLYDGQXPF-NZSAHSFTSA-N 1 1 375.513 3.873 20 5 GHBDMO COc1ccc(C[C@@H](C)N2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001170351674 881496471 /nfs/dbraw/zinc/49/64/71/881496471.db2.gz HETDSXLYDGQXPF-NZSAHSFTSA-N 1 1 375.513 3.873 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000054224025 860096545 /nfs/dbraw/zinc/09/65/45/860096545.db2.gz DZHLGRSJYKQBRQ-RDJZCZTQSA-N 1 1 385.489 3.639 20 5 GHBDMO O=[N+]([O-])c1c(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc2ccccn21 ZINC000765547005 860130184 /nfs/dbraw/zinc/13/01/84/860130184.db2.gz XTDBCZSTSLZTHI-MOPGFXCFSA-N 1 1 391.475 3.733 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593533084 860234047 /nfs/dbraw/zinc/23/40/47/860234047.db2.gz WMMHWDPOBFYOQC-INIZCTEOSA-N 1 1 391.487 3.780 20 5 GHBDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093324561 860249394 /nfs/dbraw/zinc/24/93/94/860249394.db2.gz CJJQVYFMRIGKCV-OAHLLOKOSA-N 1 1 380.448 3.764 20 5 GHBDMO CC1CCN(c2ccc(C(=O)N3CC[NH2+]Cc4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000428914326 860330687 /nfs/dbraw/zinc/33/06/87/860330687.db2.gz ZKCDZTMNGHCDGY-UHFFFAOYSA-N 1 1 394.475 3.581 20 5 GHBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000093898638 860369948 /nfs/dbraw/zinc/36/99/48/860369948.db2.gz RNMQZSPQKBUDFW-ZDUSSCGKSA-N 1 1 391.855 3.854 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](Nc4ccccc4)C3)n2)cc1 ZINC000155087739 860392919 /nfs/dbraw/zinc/39/29/19/860392919.db2.gz XAVHRYMCZKPBEU-KRWDZBQOSA-N 1 1 379.420 3.721 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](Nc4ccccc4)C3)n2)cc1 ZINC000155087739 860392931 /nfs/dbraw/zinc/39/29/31/860392931.db2.gz XAVHRYMCZKPBEU-KRWDZBQOSA-N 1 1 379.420 3.721 20 5 GHBDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000155240209 860450530 /nfs/dbraw/zinc/45/05/30/860450530.db2.gz MBGAXEWOYCFXKP-RDJZCZTQSA-N 1 1 383.448 3.728 20 5 GHBDMO COC(=O)c1ccnc(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598631435 860461172 /nfs/dbraw/zinc/46/11/72/860461172.db2.gz UCWZVOFGPLOWIO-HNNXBMFYSA-N 1 1 387.461 3.533 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@H](Cc4ccccc4)C3)n2)c1 ZINC000729984940 860484490 /nfs/dbraw/zinc/48/44/90/860484490.db2.gz BLGALEKANARPGZ-GOSISDBHSA-N 1 1 377.448 3.766 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc(C(C)=O)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000484970126 860558536 /nfs/dbraw/zinc/55/85/36/860558536.db2.gz JKFJWAFOASSEGL-KRWDZBQOSA-N 1 1 399.447 3.501 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc(C(C)=O)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000484970126 860558541 /nfs/dbraw/zinc/55/85/41/860558541.db2.gz JKFJWAFOASSEGL-KRWDZBQOSA-N 1 1 399.447 3.501 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c2cc([N+](=O)[O-])ccc12 ZINC000761291960 860623843 /nfs/dbraw/zinc/62/38/43/860623843.db2.gz LBJGTOZKRJCLBU-KRWDZBQOSA-N 1 1 390.447 3.725 20 5 GHBDMO Cc1c(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000125543283 860701899 /nfs/dbraw/zinc/70/18/99/860701899.db2.gz PPLAYKZHMHWJIK-QGZVFWFLSA-N 1 1 379.254 3.831 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc4cnccc4c3[N+](=O)[O-])c2)CCO1 ZINC000599026744 860735431 /nfs/dbraw/zinc/73/54/31/860735431.db2.gz FKMNAKZQJFACLU-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc4cnccc4c3[N+](=O)[O-])c2)CCO1 ZINC000599026744 860735436 /nfs/dbraw/zinc/73/54/36/860735436.db2.gz FKMNAKZQJFACLU-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000603497582 860768532 /nfs/dbraw/zinc/76/85/32/860768532.db2.gz FAPFTGFLDAZSCG-IEBWSBKVSA-N 1 1 376.840 3.825 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000599059898 860768689 /nfs/dbraw/zinc/76/86/89/860768689.db2.gz PLMULTWNCODPIR-MTQWCTHYSA-N 1 1 394.862 3.999 20 5 GHBDMO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)cn1 ZINC000474790985 860794500 /nfs/dbraw/zinc/79/45/00/860794500.db2.gz NJJCFZDLGIOIHN-UHFFFAOYSA-N 1 1 391.269 3.829 20 5 GHBDMO C[C@H](CCO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000593694171 860907302 /nfs/dbraw/zinc/90/73/02/860907302.db2.gz JEUGNCAMWQXPJW-LLVKDONJSA-N 1 1 383.242 3.820 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1Cl ZINC000195244143 881625341 /nfs/dbraw/zinc/62/53/41/881625341.db2.gz UXWBSCKNCXIEHT-GOSISDBHSA-N 1 1 386.839 3.762 20 5 GHBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062231474 863128491 /nfs/dbraw/zinc/12/84/91/863128491.db2.gz ZVLRSUFRONIULC-GOSISDBHSA-N 1 1 399.516 3.715 20 5 GHBDMO CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000522781278 863279040 /nfs/dbraw/zinc/27/90/40/863279040.db2.gz JAIBCFUTTLPWHC-QFBILLFUSA-N 1 1 396.491 3.934 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC[N@H+]1C ZINC000444086643 863358267 /nfs/dbraw/zinc/35/82/67/863358267.db2.gz JMEHWPJCRCFZFH-JSGCOSHPSA-N 1 1 399.441 3.514 20 5 GHBDMO CC1CCC([N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]2CCCO2)CC1 ZINC000444218910 863692935 /nfs/dbraw/zinc/69/29/35/863692935.db2.gz YKIXTBGOEBIOBS-OFLPRAFFSA-N 1 1 375.469 3.593 20 5 GHBDMO Cc1nsc(C)c1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000594013913 863743741 /nfs/dbraw/zinc/74/37/41/863743741.db2.gz GSGCDTYAYGGAFC-QAQDUYKDSA-N 1 1 375.494 3.974 20 5 GHBDMO Cc1nsc(C)c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000594013913 863743744 /nfs/dbraw/zinc/74/37/44/863743744.db2.gz GSGCDTYAYGGAFC-QAQDUYKDSA-N 1 1 375.494 3.974 20 5 GHBDMO O=[N+]([O-])c1c(Br)cccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000856737514 881703527 /nfs/dbraw/zinc/70/35/27/881703527.db2.gz GGFXZHAGTRSKGF-IUODEOHRSA-N 1 1 380.286 3.810 20 5 GHBDMO Cc1c(CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000480069652 863995445 /nfs/dbraw/zinc/99/54/45/863995445.db2.gz LXSHEPJJXTYOLN-SJLPKXTDSA-N 1 1 388.512 3.699 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192818140 863998161 /nfs/dbraw/zinc/99/81/61/863998161.db2.gz AGKXSORKBNTDCJ-UHFFFAOYSA-N 1 1 399.422 3.860 20 5 GHBDMO CSc1cccc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000186121590 864305570 /nfs/dbraw/zinc/30/55/70/864305570.db2.gz RWHNCOHUBUFEQJ-LBPRGKRZSA-N 1 1 391.518 3.555 20 5 GHBDMO CSc1cccc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000186121590 864305588 /nfs/dbraw/zinc/30/55/88/864305588.db2.gz RWHNCOHUBUFEQJ-LBPRGKRZSA-N 1 1 391.518 3.555 20 5 GHBDMO COc1cc(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)cc([N+](=O)[O-])c1OC ZINC000494461424 881753676 /nfs/dbraw/zinc/75/36/76/881753676.db2.gz QTYGRNHSTURSDG-UHFFFAOYSA-N 1 1 399.447 3.836 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000554641607 864645179 /nfs/dbraw/zinc/64/51/79/864645179.db2.gz LNFGVBLNOBXONT-WEYGHZABSA-N 1 1 395.503 3.943 20 5 GHBDMO CSc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475310124 864760657 /nfs/dbraw/zinc/76/06/57/864760657.db2.gz ANCUJEPALNQPQV-QGZVFWFLSA-N 1 1 385.489 3.663 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)c(F)c1 ZINC000475328963 864792706 /nfs/dbraw/zinc/79/27/06/864792706.db2.gz KMINSBBIDLQJBG-UHFFFAOYSA-N 1 1 375.366 3.629 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792915691 881809749 /nfs/dbraw/zinc/80/97/49/881809749.db2.gz ZDOREJHDAVQBFX-ZBFHGGJFSA-N 1 1 386.279 3.748 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000554847503 865034107 /nfs/dbraw/zinc/03/41/07/865034107.db2.gz WFQWATYIXAVSPJ-UHFFFAOYSA-N 1 1 393.443 3.792 20 5 GHBDMO C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184913080 865038899 /nfs/dbraw/zinc/03/88/99/865038899.db2.gz RYFYEPYDBQFVSO-SGTLLEGYSA-N 1 1 393.846 3.910 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H](O)c1ccc(C)cc1 ZINC000173832199 865094013 /nfs/dbraw/zinc/09/40/13/865094013.db2.gz PVYGSRMBYMPCRL-FQEVSTJZSA-N 1 1 385.464 3.596 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c(Cl)c1 ZINC000736283827 865162367 /nfs/dbraw/zinc/16/23/67/865162367.db2.gz GZSNHFRSZSFNCG-UHFFFAOYSA-N 1 1 383.839 3.514 20 5 GHBDMO CCCCCC[C@](O)(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC ZINC001170425261 881915179 /nfs/dbraw/zinc/91/51/79/881915179.db2.gz SIAVZXWSGWGYTF-RXVVDRJESA-N 1 1 392.496 3.649 20 5 GHBDMO C[C@@H](OC(=O)[C@@H](C)[NH+]1CCCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741029126 866186631 /nfs/dbraw/zinc/18/66/31/866186631.db2.gz LHMVIHWNMRXSDU-ZIAGYGMSSA-N 1 1 388.424 3.514 20 5 GHBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC001127539001 881986215 /nfs/dbraw/zinc/98/62/15/881986215.db2.gz YSGWZKAMNGVFAG-UHFFFAOYSA-N 1 1 382.464 3.550 20 5 GHBDMO Cc1cccc(C2(O)CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000741808137 866804074 /nfs/dbraw/zinc/80/40/74/866804074.db2.gz GFIAXRUDJSIACX-QGZVFWFLSA-N 1 1 397.475 3.522 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000741932688 866918491 /nfs/dbraw/zinc/91/84/91/866918491.db2.gz ZGYYBZOHRNTENV-UHFFFAOYSA-N 1 1 389.839 3.911 20 5 GHBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000444690794 867070793 /nfs/dbraw/zinc/07/07/93/867070793.db2.gz VNGVNLOJLREKGK-DNVCBOLYSA-N 1 1 384.411 3.962 20 5 GHBDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742147022 867081446 /nfs/dbraw/zinc/08/14/46/867081446.db2.gz YBCOFYSXGKLZBW-UHFFFAOYSA-N 1 1 381.436 3.732 20 5 GHBDMO CCC[N@H+](Cc1ccc(OC)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742147022 867081456 /nfs/dbraw/zinc/08/14/56/867081456.db2.gz YBCOFYSXGKLZBW-UHFFFAOYSA-N 1 1 381.436 3.732 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000553260741 867096357 /nfs/dbraw/zinc/09/63/57/867096357.db2.gz ZQZJTGCBLAYCIQ-UHFFFAOYSA-N 1 1 389.415 3.508 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444728639 867107328 /nfs/dbraw/zinc/10/73/28/867107328.db2.gz GJLJNCQMAPFXMH-BLLLJJGKSA-N 1 1 376.375 3.517 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444728639 867107334 /nfs/dbraw/zinc/10/73/34/867107334.db2.gz GJLJNCQMAPFXMH-BLLLJJGKSA-N 1 1 376.375 3.517 20 5 GHBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000742391776 867257365 /nfs/dbraw/zinc/25/73/65/867257365.db2.gz RXBSJCKBAPMUBN-KRWDZBQOSA-N 1 1 396.447 3.628 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000523592232 867596423 /nfs/dbraw/zinc/59/64/23/867596423.db2.gz YAFJNOWBYCYUAM-AWEZNQCLSA-N 1 1 378.473 3.626 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000534860838 867660099 /nfs/dbraw/zinc/66/00/99/867660099.db2.gz TXUVDFYUXGEHIH-DLBZAZTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000534860838 867660106 /nfs/dbraw/zinc/66/01/06/867660106.db2.gz TXUVDFYUXGEHIH-DLBZAZTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534966139 867840355 /nfs/dbraw/zinc/84/03/55/867840355.db2.gz FKMPUFKMYZMXCG-GDBMZVCRSA-N 1 1 378.432 3.641 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000621108683 868722273 /nfs/dbraw/zinc/72/22/73/868722273.db2.gz GKDPMGIXXOYUCK-QGZVFWFLSA-N 1 1 389.499 3.533 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c2c(c1)COCO2 ZINC000029825261 868791034 /nfs/dbraw/zinc/79/10/34/868791034.db2.gz CACIWMRHXIELOC-CQSZACIVSA-N 1 1 395.415 3.982 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000744420734 868806104 /nfs/dbraw/zinc/80/61/04/868806104.db2.gz QPZROOMGOIHFQA-GOSISDBHSA-N 1 1 391.855 3.551 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000744420734 868806121 /nfs/dbraw/zinc/80/61/21/868806121.db2.gz QPZROOMGOIHFQA-GOSISDBHSA-N 1 1 391.855 3.551 20 5 GHBDMO COc1cc(C[NH2+][C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000445813383 869018203 /nfs/dbraw/zinc/01/82/03/869018203.db2.gz HSFQBMXJGBCRBC-KRWDZBQOSA-N 1 1 379.363 3.841 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000524459251 869081665 /nfs/dbraw/zinc/08/16/65/869081665.db2.gz LAVXVYXRLAZHQW-GOSISDBHSA-N 1 1 391.418 3.950 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000524459251 869081675 /nfs/dbraw/zinc/08/16/75/869081675.db2.gz LAVXVYXRLAZHQW-GOSISDBHSA-N 1 1 391.418 3.950 20 5 GHBDMO CCc1cc(N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000524841867 869664341 /nfs/dbraw/zinc/66/43/41/869664341.db2.gz OMJBLKZFJRTTOZ-BEFAXECRSA-N 1 1 383.496 3.923 20 5 GHBDMO C[C@H]1CC[C@H](C)[NH+]1Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000443223565 869804897 /nfs/dbraw/zinc/80/48/97/869804897.db2.gz MPJMMWVNOVPXNN-QWRGUYRKSA-N 1 1 395.257 3.704 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000446493796 869927419 /nfs/dbraw/zinc/92/74/19/869927419.db2.gz IMDZXKBIJUDWOJ-JXFKEZNVSA-N 1 1 382.464 3.935 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000462756867 870035106 /nfs/dbraw/zinc/03/51/06/870035106.db2.gz VYXJDFCOMDYMDJ-YLJYHZDGSA-N 1 1 399.491 3.591 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1F)C1CC1 ZINC001192616919 870565527 /nfs/dbraw/zinc/56/55/27/870565527.db2.gz OWPNKLSACQDTFL-IBGZPJMESA-N 1 1 391.374 3.561 20 5 GHBDMO COc1ccc(-c2ccc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797460 870627456 /nfs/dbraw/zinc/62/74/56/870627456.db2.gz ITPIEJBNJWEOPC-KXBFYZLASA-N 1 1 385.464 3.780 20 5 GHBDMO C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617742716 870821461 /nfs/dbraw/zinc/82/14/61/870821461.db2.gz UKNCVQAFFLRNFH-QZTJIDSGSA-N 1 1 381.476 3.821 20 5 GHBDMO COc1ccc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000463107469 870897104 /nfs/dbraw/zinc/89/71/04/870897104.db2.gz DLGUJGHISDLJLM-UHFFFAOYSA-N 1 1 387.455 3.539 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000593053928 882473414 /nfs/dbraw/zinc/47/34/14/882473414.db2.gz OOXCMWZIWWTVPI-AWEZNQCLSA-N 1 1 388.411 3.637 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000593053928 882473418 /nfs/dbraw/zinc/47/34/18/882473418.db2.gz OOXCMWZIWWTVPI-AWEZNQCLSA-N 1 1 388.411 3.637 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169011657 871095744 /nfs/dbraw/zinc/09/57/44/871095744.db2.gz LZBWLLUSAKFQOB-HLIPFELVSA-N 1 1 381.517 3.545 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001193725374 871243697 /nfs/dbraw/zinc/24/36/97/871243697.db2.gz SUAMELBEXHKXMM-INIZCTEOSA-N 1 1 386.349 3.689 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001193725374 871243706 /nfs/dbraw/zinc/24/37/06/871243706.db2.gz SUAMELBEXHKXMM-INIZCTEOSA-N 1 1 386.349 3.689 20 5 GHBDMO CC[N@@H+](Cc1ccc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cc1)C1CC1 ZINC000546963862 871246692 /nfs/dbraw/zinc/24/66/92/871246692.db2.gz HXAFCRUUBRAGNC-UHFFFAOYSA-N 1 1 379.420 3.878 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000540432070 871296358 /nfs/dbraw/zinc/29/63/58/871296358.db2.gz CFNWISKHARYCOZ-ZDUSSCGKSA-N 1 1 397.258 3.920 20 5 GHBDMO C[N@H+](Cc1ccc(I)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000441235009 871356437 /nfs/dbraw/zinc/35/64/37/871356437.db2.gz RLNKYSVKHDDWAW-UHFFFAOYSA-N 1 1 382.201 3.831 20 5 GHBDMO C[N@@H+](Cc1ccc(I)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000441235009 871356456 /nfs/dbraw/zinc/35/64/56/871356456.db2.gz RLNKYSVKHDDWAW-UHFFFAOYSA-N 1 1 382.201 3.831 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000447318395 871368925 /nfs/dbraw/zinc/36/89/25/871368925.db2.gz RRRBQZJBOWFJOJ-UHFFFAOYSA-N 1 1 387.346 3.982 20 5 GHBDMO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000539242623 871583514 /nfs/dbraw/zinc/58/35/14/871583514.db2.gz BVJDZXPJPGGRFR-IBGZPJMESA-N 1 1 389.883 3.720 20 5 GHBDMO C[N@@H+](CCc1cccc(Br)c1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000463420081 871681663 /nfs/dbraw/zinc/68/16/63/871681663.db2.gz OYJJAMOLXGKHJL-UHFFFAOYSA-N 1 1 389.253 3.908 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000618584175 871732504 /nfs/dbraw/zinc/73/25/04/871732504.db2.gz LPTCLVGEVMSVGK-SNVBAGLBSA-N 1 1 380.317 3.540 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462182813 871784597 /nfs/dbraw/zinc/78/45/97/871784597.db2.gz QJWFXNHWUHNQDP-WEYGHZABSA-N 1 1 395.503 3.800 20 5 GHBDMO CN(C(=O)C[N@H+](C)CCOc1ccccc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001169832958 871902079 /nfs/dbraw/zinc/90/20/79/871902079.db2.gz JRDFMEUYOVYAKY-UHFFFAOYSA-N 1 1 399.491 3.866 20 5 GHBDMO CN(C(=O)C[N@@H+](C)CCOc1ccccc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001169832958 871902087 /nfs/dbraw/zinc/90/20/87/871902087.db2.gz JRDFMEUYOVYAKY-UHFFFAOYSA-N 1 1 399.491 3.866 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC001194715495 871912940 /nfs/dbraw/zinc/91/29/40/871912940.db2.gz POUKCAIAPSVEAQ-LJQANCHMSA-N 1 1 379.460 3.536 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000540771843 872123912 /nfs/dbraw/zinc/12/39/12/872123912.db2.gz IRLBITGZTUMGSW-MRXNPFEDSA-N 1 1 377.510 3.796 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001195232596 872240308 /nfs/dbraw/zinc/24/03/08/872240308.db2.gz FXSMDIAMMJZGMK-OAHLLOKOSA-N 1 1 378.469 3.937 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000540827018 872266173 /nfs/dbraw/zinc/26/61/73/872266173.db2.gz QHWROEQMFRYBFQ-CQSZACIVSA-N 1 1 386.395 3.596 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC001195808867 872679014 /nfs/dbraw/zinc/67/90/14/872679014.db2.gz DKUAVKCZSRGNRG-GJZGRUSLSA-N 1 1 383.448 3.592 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478229953 872696196 /nfs/dbraw/zinc/69/61/96/872696196.db2.gz KBKXGXMCWAVRNP-AEFFLSMTSA-N 1 1 395.793 3.588 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000619531629 872714881 /nfs/dbraw/zinc/71/48/81/872714881.db2.gz RTJJVFROPPOXKM-KRWDZBQOSA-N 1 1 384.354 3.620 20 5 GHBDMO CC1(C)C[C@H]([N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)CO1 ZINC001196083993 872870282 /nfs/dbraw/zinc/87/02/82/872870282.db2.gz YYUFURMENOKSEF-FQEVSTJZSA-N 1 1 397.475 3.993 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000619784391 872998037 /nfs/dbraw/zinc/99/80/37/872998037.db2.gz KSQFITHTABPVBO-FQEVSTJZSA-N 1 1 387.411 3.503 20 5 GHBDMO C[N@H+](CCO)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Cl ZINC000619868341 873112459 /nfs/dbraw/zinc/11/24/59/873112459.db2.gz URWBJGYJNHCBEE-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO C[N@@H+](CCO)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Cl ZINC000619868341 873112465 /nfs/dbraw/zinc/11/24/65/873112465.db2.gz URWBJGYJNHCBEE-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000448415949 873349949 /nfs/dbraw/zinc/34/99/49/873349949.db2.gz IHKPEBKHCGUBHD-AWEZNQCLSA-N 1 1 375.494 3.907 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000858014195 882721960 /nfs/dbraw/zinc/72/19/60/882721960.db2.gz IZRQYINLONRHTC-QGZVFWFLSA-N 1 1 399.447 3.538 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000858014195 882721969 /nfs/dbraw/zinc/72/19/69/882721969.db2.gz IZRQYINLONRHTC-QGZVFWFLSA-N 1 1 399.447 3.538 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000494638414 882744300 /nfs/dbraw/zinc/74/43/00/882744300.db2.gz VGNCAKSNQFUPGO-UHFFFAOYSA-N 1 1 375.860 3.556 20 5 GHBDMO COc1cc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000448718557 873849333 /nfs/dbraw/zinc/84/93/33/873849333.db2.gz YPTHTRHGPHVHLF-UHFFFAOYSA-N 1 1 389.427 3.513 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000804405531 882790842 /nfs/dbraw/zinc/79/08/42/882790842.db2.gz NHESIALXSTXLPP-UHFFFAOYSA-N 1 1 384.436 3.648 20 5 GHBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000769461862 874085842 /nfs/dbraw/zinc/08/58/42/874085842.db2.gz YLVUTPPOWWHPFD-SFHVURJKSA-N 1 1 383.448 3.769 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000464679923 874288146 /nfs/dbraw/zinc/28/81/46/874288146.db2.gz VXXJHZQXKUXBFL-GOSISDBHSA-N 1 1 388.439 3.966 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000464679923 874288155 /nfs/dbraw/zinc/28/81/55/874288155.db2.gz VXXJHZQXKUXBFL-GOSISDBHSA-N 1 1 388.439 3.966 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000770015387 874405194 /nfs/dbraw/zinc/40/51/94/874405194.db2.gz WELZYGNGMVYZGY-WBMJQRKESA-N 1 1 378.860 3.729 20 5 GHBDMO CN(C)c1nccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000541852618 874426226 /nfs/dbraw/zinc/42/62/26/874426226.db2.gz HEMIHFTXPUYFAA-UHFFFAOYSA-N 1 1 392.463 3.509 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464770592 874432500 /nfs/dbraw/zinc/43/25/00/874432500.db2.gz LKWXLCZTPDFCOV-MRXNPFEDSA-N 1 1 385.489 3.956 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464770592 874432505 /nfs/dbraw/zinc/43/25/05/874432505.db2.gz LKWXLCZTPDFCOV-MRXNPFEDSA-N 1 1 385.489 3.956 20 5 GHBDMO Cc1ccc(CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000464774762 874466671 /nfs/dbraw/zinc/46/66/71/874466671.db2.gz IPQHUUMHNSYLTQ-IBGZPJMESA-N 1 1 397.475 3.565 20 5 GHBDMO Cc1ccc(CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000464774762 874466673 /nfs/dbraw/zinc/46/66/73/874466673.db2.gz IPQHUUMHNSYLTQ-IBGZPJMESA-N 1 1 397.475 3.565 20 5 GHBDMO COC(=O)c1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)s1 ZINC000464869794 874649017 /nfs/dbraw/zinc/64/90/17/874649017.db2.gz AQRBYJYIAQZEQW-UHFFFAOYSA-N 1 1 390.461 3.795 20 5 GHBDMO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000449346590 874738499 /nfs/dbraw/zinc/73/84/99/874738499.db2.gz BKYBUCJZGKXGMC-LLVKDONJSA-N 1 1 396.802 3.790 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000449506748 874970891 /nfs/dbraw/zinc/97/08/91/874970891.db2.gz ZMOGXUPIIMLOEG-LJQANCHMSA-N 1 1 381.476 3.811 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000542317158 875358024 /nfs/dbraw/zinc/35/80/24/875358024.db2.gz BLVCORDHKBTEEL-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000542317158 875358041 /nfs/dbraw/zinc/35/80/41/875358041.db2.gz BLVCORDHKBTEEL-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO CCc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000746512706 875441356 /nfs/dbraw/zinc/44/13/56/875441356.db2.gz WFQUBLIUIRVTHG-QUCCMNQESA-N 1 1 379.460 3.914 20 5 GHBDMO CC[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000029909132 875663307 /nfs/dbraw/zinc/66/33/07/875663307.db2.gz XYRXALBXLHVJBP-QGZVFWFLSA-N 1 1 387.867 3.815 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cc2cccn2cn1 ZINC001201382028 875667044 /nfs/dbraw/zinc/66/70/44/875667044.db2.gz NLSLDUABFPRNDP-UHFFFAOYSA-N 1 1 397.438 3.591 20 5 GHBDMO NC(=O)c1ccc(C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000029941903 875691719 /nfs/dbraw/zinc/69/17/19/875691719.db2.gz LHEBITOPDHVKGQ-GOSISDBHSA-N 1 1 385.420 3.774 20 5 GHBDMO COc1ccc(Br)cc1C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272279 876134525 /nfs/dbraw/zinc/13/45/25/876134525.db2.gz SKLVKYGEMBSEOF-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000450385315 876360950 /nfs/dbraw/zinc/36/09/50/876360950.db2.gz CBGLILJJCSPVIL-AUUYWEPGSA-N 1 1 382.464 3.605 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000492373536 876733036 /nfs/dbraw/zinc/73/30/36/876733036.db2.gz IKOUIDGNAPCCGS-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000492442450 876835352 /nfs/dbraw/zinc/83/53/52/876835352.db2.gz HDLJSXHTWKEURF-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1ccc(Cl)cc1 ZINC000492464516 876872938 /nfs/dbraw/zinc/87/29/38/876872938.db2.gz LNQAUJHBWPJAAR-UHFFFAOYSA-N 1 1 389.839 3.721 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000746672075 877320277 /nfs/dbraw/zinc/32/02/77/877320277.db2.gz GKBVIYYPDFGZJR-IUODEOHRSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000746672075 877320295 /nfs/dbraw/zinc/32/02/95/877320295.db2.gz GKBVIYYPDFGZJR-IUODEOHRSA-N 1 1 383.876 3.983 20 5 GHBDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000477275744 877332045 /nfs/dbraw/zinc/33/20/45/877332045.db2.gz JKUDTOIIFGKKGO-NNWRFLSQSA-N 1 1 384.476 3.993 20 5 GHBDMO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610064226 877349485 /nfs/dbraw/zinc/34/94/85/877349485.db2.gz ZSGYTSFJPLSFRL-IBGZPJMESA-N 1 1 395.503 3.553 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)ccc1[N+](=O)[O-] ZINC000492781298 877535818 /nfs/dbraw/zinc/53/58/18/877535818.db2.gz BRIVEPNDUKMMPS-QGZVFWFLSA-N 1 1 380.448 3.926 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@](O)(C(F)(F)F)CC3)o2)c1 ZINC000285426441 912286563 /nfs/dbraw/zinc/28/65/63/912286563.db2.gz DXJMKIUCDKCEAU-QGZVFWFLSA-N 1 1 399.369 3.572 20 5 GHBDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000179792084 878015881 /nfs/dbraw/zinc/01/58/81/878015881.db2.gz SVTUDLAQXLJCNT-BZNIZROVSA-N 1 1 393.390 3.950 20 5 GHBDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000179803658 878042276 /nfs/dbraw/zinc/04/22/76/878042276.db2.gz PGSQGWKQBXRVGC-OAHLLOKOSA-N 1 1 379.363 3.561 20 5 GHBDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000788465463 878085415 /nfs/dbraw/zinc/08/54/15/878085415.db2.gz WKXMBFHZEDVJEE-IBGZPJMESA-N 1 1 392.839 3.825 20 5 GHBDMO O=c1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccc(Cl)cn12 ZINC000451546010 878119740 /nfs/dbraw/zinc/11/97/40/878119740.db2.gz IOWSHCJPBADMLW-HNNXBMFYSA-N 1 1 398.850 3.636 20 5 GHBDMO O=c1[nH]c(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccccc21 ZINC000451552232 878135584 /nfs/dbraw/zinc/13/55/84/878135584.db2.gz WEPZLOQAKUIJAD-INIZCTEOSA-N 1 1 378.432 3.666 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000795680727 912324752 /nfs/dbraw/zinc/32/47/52/912324752.db2.gz PQIWWRRHQNWFDQ-SXLOBPIMSA-N 1 1 377.448 3.874 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000776590736 878276097 /nfs/dbraw/zinc/27/60/97/878276097.db2.gz FUEKXMQOHMKIOT-FDFHNCONSA-N 1 1 384.476 3.997 20 5 GHBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[N@@H+]1C ZINC000537808450 878321482 /nfs/dbraw/zinc/32/14/82/878321482.db2.gz ASOCYEDNEWBNAW-CABCVRRESA-N 1 1 385.489 3.911 20 5 GHBDMO O=C(N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000852473197 878351897 /nfs/dbraw/zinc/35/18/97/878351897.db2.gz KCWBCAJXYFVHFU-ZBFHGGJFSA-N 1 1 399.413 3.750 20 5 GHBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852514949 878387307 /nfs/dbraw/zinc/38/73/07/878387307.db2.gz MQQSAPKPLNTEFP-HOTGVXAUSA-N 1 1 385.247 3.600 20 5 GHBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852514949 878387320 /nfs/dbraw/zinc/38/73/20/878387320.db2.gz MQQSAPKPLNTEFP-HOTGVXAUSA-N 1 1 385.247 3.600 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180604942 879075879 /nfs/dbraw/zinc/07/58/79/879075879.db2.gz ZYEWZJRGWZOVPZ-HIFRSBDPSA-N 1 1 382.363 3.877 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180604942 879075895 /nfs/dbraw/zinc/07/58/95/879075895.db2.gz ZYEWZJRGWZOVPZ-HIFRSBDPSA-N 1 1 382.363 3.877 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@](F)(COC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000789775701 879267766 /nfs/dbraw/zinc/26/77/66/879267766.db2.gz ZGNODLHMDPYDPG-IERDGZPVSA-N 1 1 386.423 3.856 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000617001869 879309797 /nfs/dbraw/zinc/30/97/97/879309797.db2.gz ZBMMUARETNGQIN-HNNXBMFYSA-N 1 1 377.488 3.532 20 5 GHBDMO COC(=O)c1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c2ncccc12 ZINC001170194027 881200664 /nfs/dbraw/zinc/20/06/64/881200664.db2.gz KBCBTVNHUGXTKJ-UHFFFAOYSA-N 1 1 379.416 3.604 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000494258790 881325284 /nfs/dbraw/zinc/32/52/84/881325284.db2.gz DLBKRTPXOXDTMV-QGZVFWFLSA-N 1 1 397.475 3.636 20 5 GHBDMO CCOc1ccc(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1[N+](=O)[O-] ZINC000609492519 883257146 /nfs/dbraw/zinc/25/71/46/883257146.db2.gz OMPDHWACKCOYPR-UHFFFAOYSA-N 1 1 385.464 3.764 20 5 GHBDMO COc1cccc(C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000064400000 883295326 /nfs/dbraw/zinc/29/53/26/883295326.db2.gz GKJNKHBOYNZASY-IBGZPJMESA-N 1 1 386.448 3.663 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000609506189 883300499 /nfs/dbraw/zinc/30/04/99/883300499.db2.gz LFEGLNMUYYXNFS-HZPDHXFCSA-N 1 1 387.505 3.712 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000804812425 883374398 /nfs/dbraw/zinc/37/43/98/883374398.db2.gz NWXUIXJYVHTADL-HXUWFJFHSA-N 1 1 382.420 3.605 20 5 GHBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCc2ccccc21 ZINC000609770766 883629211 /nfs/dbraw/zinc/62/92/11/883629211.db2.gz BEOHTKUKTUPVEJ-GOSISDBHSA-N 1 1 381.432 3.902 20 5 GHBDMO COCC[N@@H+](C)CC[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000609892933 883802467 /nfs/dbraw/zinc/80/24/67/883802467.db2.gz MLXWVWFEZGTJJK-QGZVFWFLSA-N 1 1 378.860 3.765 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000805794943 884083226 /nfs/dbraw/zinc/08/32/26/884083226.db2.gz CAWKVOBHCITDFG-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000805794943 884083241 /nfs/dbraw/zinc/08/32/41/884083241.db2.gz CAWKVOBHCITDFG-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1Cl ZINC000556512623 885207193 /nfs/dbraw/zinc/20/71/93/885207193.db2.gz KTZLBPYOZGSGJM-GOEBONIOSA-N 1 1 380.876 3.525 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1 ZINC000498728732 885534008 /nfs/dbraw/zinc/53/40/08/885534008.db2.gz LWTUMFCMPDGIRZ-HNNXBMFYSA-N 1 1 399.447 3.562 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000532483824 885808513 /nfs/dbraw/zinc/80/85/13/885808513.db2.gz ASPHYWIPMAGGTI-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000532483824 885808526 /nfs/dbraw/zinc/80/85/26/885808526.db2.gz ASPHYWIPMAGGTI-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO CCOCCCN1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000495439876 885809053 /nfs/dbraw/zinc/80/90/53/885809053.db2.gz OHEBYJSILKLTFX-MAUKXSAKSA-N 1 1 383.920 3.517 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000762250876 885851136 /nfs/dbraw/zinc/85/11/36/885851136.db2.gz MCFMYYRARNNHJJ-HICICHHWSA-N 1 1 385.851 3.823 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000762250876 885851150 /nfs/dbraw/zinc/85/11/50/885851150.db2.gz MCFMYYRARNNHJJ-HICICHHWSA-N 1 1 385.851 3.823 20 5 GHBDMO C[N@@H+]1CC[C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1c1ccccc1 ZINC000550684946 885893617 /nfs/dbraw/zinc/89/36/17/885893617.db2.gz TZXVMWZKWPDQGX-VQTJNVASSA-N 1 1 378.432 3.785 20 5 GHBDMO C[N@H+]1CC[C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1c1ccccc1 ZINC000550684946 885893631 /nfs/dbraw/zinc/89/36/31/885893631.db2.gz TZXVMWZKWPDQGX-VQTJNVASSA-N 1 1 378.432 3.785 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N(C)[C@@H]3CC[N@H+](C4CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000498907531 886079551 /nfs/dbraw/zinc/07/95/51/886079551.db2.gz FDAJLWNJOXUDPZ-LJQANCHMSA-N 1 1 394.475 3.828 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532572394 886139478 /nfs/dbraw/zinc/13/94/78/886139478.db2.gz OMQLDMBMFPIXFX-MRXNPFEDSA-N 1 1 389.496 3.983 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000556867841 886418276 /nfs/dbraw/zinc/41/82/76/886418276.db2.gz JJWLXTLTCNVJCZ-OXQOHEQNSA-N 1 1 378.432 3.574 20 5 GHBDMO CCc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499075037 886631313 /nfs/dbraw/zinc/63/13/13/886631313.db2.gz JKNBBPBNMZLTRV-UHFFFAOYSA-N 1 1 378.436 3.721 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000747527498 886767716 /nfs/dbraw/zinc/76/77/16/886767716.db2.gz BZJKFNVPQHIUAV-HNNXBMFYSA-N 1 1 393.484 3.730 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000747527498 886767732 /nfs/dbraw/zinc/76/77/32/886767732.db2.gz BZJKFNVPQHIUAV-HNNXBMFYSA-N 1 1 393.484 3.730 20 5 GHBDMO C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272333764 887106691 /nfs/dbraw/zinc/10/66/91/887106691.db2.gz XAZNQGZBIUCVRJ-ZFWWWQNUSA-N 1 1 389.402 3.513 20 5 GHBDMO C[C@H](O)C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000272481631 887569568 /nfs/dbraw/zinc/56/95/68/887569568.db2.gz CBUMILMZXOHITF-NBHGPNQESA-N 1 1 394.475 3.562 20 5 GHBDMO C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000272527017 887630871 /nfs/dbraw/zinc/63/08/71/887630871.db2.gz MFWUVKDIUMDTDE-UWJYYQICSA-N 1 1 393.491 3.528 20 5 GHBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000809696629 887672489 /nfs/dbraw/zinc/67/24/89/887672489.db2.gz NLYWPMAYIGNETB-KRWDZBQOSA-N 1 1 398.337 3.782 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272545640 887717525 /nfs/dbraw/zinc/71/75/25/887717525.db2.gz QAHFPFOOZAFOCV-WIYYLYMNSA-N 1 1 391.475 3.676 20 5 GHBDMO Cc1ccc([C@H]2CC[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)c(C)c1 ZINC000794657218 887733764 /nfs/dbraw/zinc/73/37/64/887733764.db2.gz UHTYMIDOAQZWAN-SFHVURJKSA-N 1 1 377.448 3.917 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758303 887801650 /nfs/dbraw/zinc/80/16/50/887801650.db2.gz IVEIDLRFKOWBHR-KBPBESRZSA-N 1 1 383.286 3.996 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809918357 887964039 /nfs/dbraw/zinc/96/40/39/887964039.db2.gz UBZVVNHAALNGBK-UHFFFAOYSA-N 1 1 388.855 3.906 20 5 GHBDMO C[N@@H+](CCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)Cc1ccccc1 ZINC000809920006 887971267 /nfs/dbraw/zinc/97/12/67/887971267.db2.gz RDILCKAKBDHKRV-UHFFFAOYSA-N 1 1 376.844 3.892 20 5 GHBDMO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC000809982812 888040489 /nfs/dbraw/zinc/04/04/89/888040489.db2.gz ZHEZZIBRFAIISM-SFHVURJKSA-N 1 1 392.242 3.997 20 5 GHBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC000809982812 888040504 /nfs/dbraw/zinc/04/05/04/888040504.db2.gz ZHEZZIBRFAIISM-SFHVURJKSA-N 1 1 392.242 3.997 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001132071758 888167590 /nfs/dbraw/zinc/16/75/90/888167590.db2.gz MRMKINMJTSTCLM-INIZCTEOSA-N 1 1 399.466 3.917 20 5 GHBDMO COc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000194413872 888305563 /nfs/dbraw/zinc/30/55/63/888305563.db2.gz RRKTWAYNJOXQBW-SJLPKXTDSA-N 1 1 397.475 3.729 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272695801 888425202 /nfs/dbraw/zinc/42/52/02/888425202.db2.gz HRAWAOBMCBMTJY-CHWSQXEVSA-N 1 1 399.413 3.996 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000488060619 888561596 /nfs/dbraw/zinc/56/15/96/888561596.db2.gz XIEVMLWIMFZRCI-YLJYHZDGSA-N 1 1 381.476 3.993 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001132393741 888753066 /nfs/dbraw/zinc/75/30/66/888753066.db2.gz TUNTVEMZUFTLJV-IBGZPJMESA-N 1 1 381.476 3.996 20 5 GHBDMO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454435834 889021402 /nfs/dbraw/zinc/02/14/02/889021402.db2.gz OOEGLAPHJFZNRM-PKOBYXMFSA-N 1 1 396.491 3.520 20 5 GHBDMO O=[N+]([O-])c1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000763404315 889229647 /nfs/dbraw/zinc/22/96/47/889229647.db2.gz QAUSDPUUPIEJFN-SFHVURJKSA-N 1 1 389.883 3.629 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1Cl ZINC000763404315 889229664 /nfs/dbraw/zinc/22/96/64/889229664.db2.gz QAUSDPUUPIEJFN-SFHVURJKSA-N 1 1 389.883 3.629 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)c1ccccc1 ZINC000532933950 889376041 /nfs/dbraw/zinc/37/60/41/889376041.db2.gz QAIJZDAUCMPGKF-QGZVFWFLSA-N 1 1 385.464 3.941 20 5 GHBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)C[C@@H]21 ZINC000454809667 889804257 /nfs/dbraw/zinc/80/42/57/889804257.db2.gz JTSLEGGKXSCKFE-KUHUBIRLSA-N 1 1 382.420 3.555 20 5 GHBDMO C[C@H](CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000173601449 890009089 /nfs/dbraw/zinc/00/90/89/890009089.db2.gz JYUOXYPFKXAGND-CQSZACIVSA-N 1 1 375.856 3.889 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000795098140 890174645 /nfs/dbraw/zinc/17/46/45/890174645.db2.gz CHIVJVKZEAYVJW-SJLPKXTDSA-N 1 1 375.469 3.735 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC001170651775 890183933 /nfs/dbraw/zinc/18/39/33/890183933.db2.gz XKTAFWDPWVUBBD-SFHVURJKSA-N 1 1 383.448 3.775 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000795103207 890267438 /nfs/dbraw/zinc/26/74/38/890267438.db2.gz PPOGITWCYOEEMK-HOCLYGCPSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000795103207 890267452 /nfs/dbraw/zinc/26/74/52/890267452.db2.gz PPOGITWCYOEEMK-HOCLYGCPSA-N 1 1 379.432 3.565 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795104697 890269365 /nfs/dbraw/zinc/26/93/65/890269365.db2.gz ZISXVIXDUDVDIE-KYJSFNMBSA-N 1 1 375.469 3.987 20 5 GHBDMO Cc1ccc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000533435835 890559766 /nfs/dbraw/zinc/55/97/66/890559766.db2.gz IWDITTUCDHGBDA-CQSZACIVSA-N 1 1 385.420 3.572 20 5 GHBDMO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000533435835 890559774 /nfs/dbraw/zinc/55/97/74/890559774.db2.gz IWDITTUCDHGBDA-CQSZACIVSA-N 1 1 385.420 3.572 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000917069450 890990676 /nfs/dbraw/zinc/99/06/76/890990676.db2.gz YJKSQYUNRFBJGY-JTQLQIEISA-N 1 1 376.335 3.808 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812848562 891038880 /nfs/dbraw/zinc/03/88/80/891038880.db2.gz KWSQXPJXPKCNSQ-LIRRHRJNSA-N 1 1 382.420 3.589 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000127482855 891088919 /nfs/dbraw/zinc/08/89/19/891088919.db2.gz MTNGIIPZUPIJPT-QFBILLFUSA-N 1 1 396.491 3.762 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000747839756 891339719 /nfs/dbraw/zinc/33/97/19/891339719.db2.gz DNGTXZUCCUXKRP-PBHICJAKSA-N 1 1 393.484 3.729 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000747839756 891339734 /nfs/dbraw/zinc/33/97/34/891339734.db2.gz DNGTXZUCCUXKRP-PBHICJAKSA-N 1 1 393.484 3.729 20 5 GHBDMO C[N@H+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@@H](c2ccccc2)C1 ZINC000917462303 892003922 /nfs/dbraw/zinc/00/39/22/892003922.db2.gz DCXCECWHKRNWLK-QGZVFWFLSA-N 1 1 384.461 3.818 20 5 GHBDMO CC(C)(C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000814127809 892319708 /nfs/dbraw/zinc/31/97/08/892319708.db2.gz NFSWGSBXFQLGCR-QHCPKHFHSA-N 1 1 395.503 3.901 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000533799242 893008784 /nfs/dbraw/zinc/00/87/84/893008784.db2.gz ZVBKMZLDXUMLRS-CQSZACIVSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000533799242 893008804 /nfs/dbraw/zinc/00/88/04/893008804.db2.gz ZVBKMZLDXUMLRS-CQSZACIVSA-N 1 1 397.258 3.700 20 5 GHBDMO Nc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c([N+](=O)[O-])c1 ZINC000814916031 893292224 /nfs/dbraw/zinc/29/22/24/893292224.db2.gz PAQVZJTYZDRRPA-SFHVURJKSA-N 1 1 396.491 3.518 20 5 GHBDMO COc1cccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1[N+](=O)[O-] ZINC000194614009 893468760 /nfs/dbraw/zinc/46/87/60/893468760.db2.gz KKMGSHUGLPKMKC-ZDUSSCGKSA-N 1 1 380.404 3.589 20 5 GHBDMO Cn1cc(C[NH2+]Cc2c(F)cc(F)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000815152478 893486739 /nfs/dbraw/zinc/48/67/39/893486739.db2.gz OAAZLLCYAQTGKE-UHFFFAOYSA-N 1 1 376.338 3.702 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)[nH]n1 ZINC000877784508 893811646 /nfs/dbraw/zinc/81/16/46/893811646.db2.gz RKXSTQAGWBIOKG-AWEZNQCLSA-N 1 1 386.452 3.687 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n[nH]1 ZINC000877784508 893811664 /nfs/dbraw/zinc/81/16/64/893811664.db2.gz RKXSTQAGWBIOKG-AWEZNQCLSA-N 1 1 386.452 3.687 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n[nH]1 ZINC000877784508 893811683 /nfs/dbraw/zinc/81/16/83/893811683.db2.gz RKXSTQAGWBIOKG-AWEZNQCLSA-N 1 1 386.452 3.687 20 5 GHBDMO COCC1(C)C[NH+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000459624774 893919380 /nfs/dbraw/zinc/91/93/80/893919380.db2.gz UQLKAZQNZHYSEC-UHFFFAOYSA-N 1 1 386.448 3.651 20 5 GHBDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878134350 894043510 /nfs/dbraw/zinc/04/35/10/894043510.db2.gz CMPZFQGTGFRCPF-CQSZACIVSA-N 1 1 393.875 3.604 20 5 GHBDMO CC(C)[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000878255149 894133052 /nfs/dbraw/zinc/13/30/52/894133052.db2.gz MZYGGIWREJKIJJ-UHFFFAOYSA-N 1 1 380.832 3.688 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1)CC(C)C ZINC000536924550 894137623 /nfs/dbraw/zinc/13/76/23/894137623.db2.gz KIAXDBYZXZUROI-UHFFFAOYSA-N 1 1 391.512 3.824 20 5 GHBDMO COc1ccc(CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000774871678 913844875 /nfs/dbraw/zinc/84/48/75/913844875.db2.gz ZXZOPXCQTJHANF-UHFFFAOYSA-N 1 1 385.420 3.966 20 5 GHBDMO Cc1cc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc(N2CCCC2)[nH+]1 ZINC000563841990 894251013 /nfs/dbraw/zinc/25/10/13/894251013.db2.gz OFOZVOTYBFXGKO-UHFFFAOYSA-N 1 1 383.452 3.837 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000816636533 895017229 /nfs/dbraw/zinc/01/72/29/895017229.db2.gz ZHYZQPJPWWHKRM-HDICACEKSA-N 1 1 389.496 3.982 20 5 GHBDMO COc1ccc2c(c1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](c1ccccc1)C2 ZINC000121991608 895127642 /nfs/dbraw/zinc/12/76/42/895127642.db2.gz DZABDLZOTVHNKG-HXUWFJFHSA-N 1 1 378.432 3.600 20 5 GHBDMO COc1ccc2c(c1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](c1ccccc1)C2 ZINC000121991608 895127647 /nfs/dbraw/zinc/12/76/47/895127647.db2.gz DZABDLZOTVHNKG-HXUWFJFHSA-N 1 1 378.432 3.600 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccnn2C)cc1OC ZINC000879684885 895233978 /nfs/dbraw/zinc/23/39/78/895233978.db2.gz BHVLQABFUUNRPM-KBPBESRZSA-N 1 1 376.457 3.613 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001135797683 895285030 /nfs/dbraw/zinc/28/50/30/895285030.db2.gz PRFZEBQYBVTGHJ-MRXNPFEDSA-N 1 1 387.867 3.572 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)o1 ZINC000880577633 895753775 /nfs/dbraw/zinc/75/37/75/895753775.db2.gz NDIYZYYFXFYWKW-INIZCTEOSA-N 1 1 386.452 3.674 20 5 GHBDMO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000774905753 914000090 /nfs/dbraw/zinc/00/00/90/914000090.db2.gz RLOYQDPUNVNORE-OAHLLOKOSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000774905753 914000099 /nfs/dbraw/zinc/00/00/99/914000099.db2.gz RLOYQDPUNVNORE-OAHLLOKOSA-N 1 1 391.269 3.747 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000819323716 896567884 /nfs/dbraw/zinc/56/78/84/896567884.db2.gz PJJKXZMTKFNWPO-UGKGYDQZSA-N 1 1 383.492 3.520 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819323716 896567899 /nfs/dbraw/zinc/56/78/99/896567899.db2.gz PJJKXZMTKFNWPO-UGKGYDQZSA-N 1 1 383.492 3.520 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826293663 897071928 /nfs/dbraw/zinc/07/19/28/897071928.db2.gz XKYRCXXLRZEIIH-OAHLLOKOSA-N 1 1 390.447 3.934 20 5 GHBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001136536206 898210397 /nfs/dbraw/zinc/21/03/97/898210397.db2.gz TTXSLPSZOHMAJP-IBGZPJMESA-N 1 1 396.491 3.694 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000822516750 898449035 /nfs/dbraw/zinc/44/90/35/898449035.db2.gz PJDGHSXVKCHLOC-LJQANCHMSA-N 1 1 396.390 3.544 20 5 GHBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000886059680 900697837 /nfs/dbraw/zinc/69/78/37/900697837.db2.gz KFQNZVWPYQXFRB-HNNXBMFYSA-N 1 1 383.383 3.559 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000137078656 900778737 /nfs/dbraw/zinc/77/87/37/900778737.db2.gz FGXCNZCABKTGSC-YJBOKZPZSA-N 1 1 387.505 3.843 20 5 GHBDMO O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069744999 901124650 /nfs/dbraw/zinc/12/46/50/901124650.db2.gz ZVZOOOCRMDMGDZ-GOSISDBHSA-N 1 1 389.499 3.572 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000575166358 901149427 /nfs/dbraw/zinc/14/94/27/901149427.db2.gz FRGYWELMTYTHAY-QUCCMNQESA-N 1 1 381.476 3.557 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Cc1ccccc1 ZINC000576294376 901916826 /nfs/dbraw/zinc/91/68/26/901916826.db2.gz UATHEFIDBYXAKJ-UHFFFAOYSA-N 1 1 395.381 3.866 20 5 GHBDMO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778943055 902042980 /nfs/dbraw/zinc/04/29/80/902042980.db2.gz OONHVPABIQUPKK-GOEBONIOSA-N 1 1 393.484 3.871 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778943055 902042986 /nfs/dbraw/zinc/04/29/86/902042986.db2.gz OONHVPABIQUPKK-GOEBONIOSA-N 1 1 393.484 3.871 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000845514790 902223298 /nfs/dbraw/zinc/22/32/98/902223298.db2.gz WZZQTAOLBNGYKD-AWEZNQCLSA-N 1 1 379.819 3.566 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000577121727 902519302 /nfs/dbraw/zinc/51/93/02/902519302.db2.gz INAJPBNFJQLCRZ-UAPYVXQJSA-N 1 1 386.448 3.615 20 5 GHBDMO CCOC(C[N@H+](CC)Cc1ccc(Br)cc1[N+](=O)[O-])OCC ZINC000846975167 903385251 /nfs/dbraw/zinc/38/52/51/903385251.db2.gz KZMXZADCXVMRFQ-UHFFFAOYSA-N 1 1 375.263 3.578 20 5 GHBDMO CCOC(C[N@@H+](CC)Cc1ccc(Br)cc1[N+](=O)[O-])OCC ZINC000846975167 903385268 /nfs/dbraw/zinc/38/52/68/903385268.db2.gz KZMXZADCXVMRFQ-UHFFFAOYSA-N 1 1 375.263 3.578 20 5 GHBDMO CCOc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000601148924 903391643 /nfs/dbraw/zinc/39/16/43/903391643.db2.gz HOORVESWEVNMMX-IBGZPJMESA-N 1 1 396.390 3.592 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000601225159 903481954 /nfs/dbraw/zinc/48/19/54/903481954.db2.gz DCDMXVLVOIDSRE-YVEFUNNKSA-N 1 1 377.441 3.608 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000601225158 903482380 /nfs/dbraw/zinc/48/23/80/903482380.db2.gz DCDMXVLVOIDSRE-SJKOYZFVSA-N 1 1 377.441 3.608 20 5 GHBDMO COc1nn(C)cc1C(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001147025427 903671671 /nfs/dbraw/zinc/67/16/71/903671671.db2.gz QUDKLSJNKFRBMC-UHFFFAOYSA-N 1 1 389.459 3.757 20 5 GHBDMO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCc2ccc(F)cc21 ZINC001171670818 904909695 /nfs/dbraw/zinc/90/96/95/904909695.db2.gz LRPQPULFJXSQQX-VLIAUNLRSA-N 1 1 383.423 3.501 20 5 GHBDMO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCc2ccc(F)cc21 ZINC001171670818 904909705 /nfs/dbraw/zinc/90/97/05/904909705.db2.gz LRPQPULFJXSQQX-VLIAUNLRSA-N 1 1 383.423 3.501 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)c3ncnc4cccc([N+](=O)[O-])c43)C2)s1 ZINC001186896553 914859654 /nfs/dbraw/zinc/85/96/54/914859654.db2.gz RAOCJOGLJCHLDL-HNNXBMFYSA-N 1 1 397.504 3.866 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000801577013 921148418 /nfs/dbraw/zinc/14/84/18/921148418.db2.gz IGJZWYCWILODJA-GOSISDBHSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000801577013 921148421 /nfs/dbraw/zinc/14/84/21/921148421.db2.gz IGJZWYCWILODJA-GOSISDBHSA-N 1 1 383.876 3.985 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1cccc(Br)c1 ZINC000801601545 921179316 /nfs/dbraw/zinc/17/93/16/921179316.db2.gz JAADBTOQHWCNTF-KRWDZBQOSA-N 1 1 379.254 3.565 20 5 GHBDMO COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172914186 905986021 /nfs/dbraw/zinc/98/60/21/905986021.db2.gz DPYMLHIJSQZNHA-HXUWFJFHSA-N 1 1 380.444 3.687 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H](N3CCCCC3)[C@@H](F)C1)CC2 ZINC001172911921 906019576 /nfs/dbraw/zinc/01/95/76/906019576.db2.gz GVRYVTLSORUOPP-JBACZVJFSA-N 1 1 375.488 3.741 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@H](N3CCCCC3)[C@@H](F)C1)CC2 ZINC001172911921 906019596 /nfs/dbraw/zinc/01/95/96/906019596.db2.gz GVRYVTLSORUOPP-JBACZVJFSA-N 1 1 375.488 3.741 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC001173176057 906252289 /nfs/dbraw/zinc/25/22/89/906252289.db2.gz GGGVLSQCBDAEDA-OWCLPIDISA-N 1 1 381.492 3.631 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC001173176057 906252300 /nfs/dbraw/zinc/25/23/00/906252300.db2.gz GGGVLSQCBDAEDA-OWCLPIDISA-N 1 1 381.492 3.631 20 5 GHBDMO CCOC(=O)C[C@@H]1CC[N@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001173191259 906273904 /nfs/dbraw/zinc/27/39/04/906273904.db2.gz BZYGLBHKLZPDLU-KKUMJFAQSA-N 1 1 396.459 3.585 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001173223116 906303741 /nfs/dbraw/zinc/30/37/41/906303741.db2.gz YARIGJFMEXVNAU-HOTGVXAUSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001173235867 906321990 /nfs/dbraw/zinc/32/19/90/906321990.db2.gz ZUXXLNYQRZGVIW-KKSFZXQISA-N 1 1 395.503 3.867 20 5 GHBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181664203 907052340 /nfs/dbraw/zinc/05/23/40/907052340.db2.gz QHGICEZUFAIOBV-GJZGRUSLSA-N 1 1 382.464 3.526 20 5 GHBDMO Cc1c([C@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000183006421 907311415 /nfs/dbraw/zinc/31/14/15/907311415.db2.gz VZWCDXOSVLMSHS-MGPUTAFESA-N 1 1 382.464 3.526 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000183113239 907329584 /nfs/dbraw/zinc/32/95/84/907329584.db2.gz NTUQMNMNXLVQEB-DWXRJYCRSA-N 1 1 376.478 3.591 20 5 GHBDMO COc1cc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1F ZINC000184237856 907542926 /nfs/dbraw/zinc/54/29/26/907542926.db2.gz ZLRGNIQIMRNZLQ-CYBMUJFWSA-N 1 1 385.399 3.516 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1F ZINC000184237856 907542936 /nfs/dbraw/zinc/54/29/36/907542936.db2.gz ZLRGNIQIMRNZLQ-CYBMUJFWSA-N 1 1 385.399 3.516 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])cc1F ZINC000184306406 907557676 /nfs/dbraw/zinc/55/76/76/907557676.db2.gz BDLOKSUHOIWSNR-CYBMUJFWSA-N 1 1 387.411 3.720 20 5 GHBDMO COC(=O)CC[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001175870839 907809570 /nfs/dbraw/zinc/80/95/70/907809570.db2.gz GSGIWMFMOJZKKP-LBPRGKRZSA-N 1 1 385.258 3.523 20 5 GHBDMO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001175870839 907809580 /nfs/dbraw/zinc/80/95/80/907809580.db2.gz GSGIWMFMOJZKKP-LBPRGKRZSA-N 1 1 385.258 3.523 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001175983337 907851418 /nfs/dbraw/zinc/85/14/18/907851418.db2.gz OWQIZNKWBDIODF-QEEYODRMSA-N 1 1 375.469 3.845 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000779604097 907860422 /nfs/dbraw/zinc/86/04/22/907860422.db2.gz GDRKADROCIERGB-GFCCVEGCSA-N 1 1 399.285 3.769 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000779604097 907860435 /nfs/dbraw/zinc/86/04/35/907860435.db2.gz GDRKADROCIERGB-GFCCVEGCSA-N 1 1 399.285 3.769 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(OC4CCCCC4)CC3)n2)c1 ZINC000299477159 921360294 /nfs/dbraw/zinc/36/02/94/921360294.db2.gz XXWORNSRXUYNPX-UHFFFAOYSA-N 1 1 386.452 3.959 20 5 GHBDMO COc1cc2c(cc1OC)C1(CCC1)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001176192737 907967691 /nfs/dbraw/zinc/96/76/91/907967691.db2.gz BTBZKRZDXZDXDA-IBGZPJMESA-N 1 1 398.459 3.583 20 5 GHBDMO O=C(C[NH+]1CCC(CCc2ccccc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001176193220 907968184 /nfs/dbraw/zinc/96/81/84/907968184.db2.gz MQAOWSVBLGPUSC-UHFFFAOYSA-N 1 1 393.487 3.829 20 5 GHBDMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001177588500 908653032 /nfs/dbraw/zinc/65/30/32/908653032.db2.gz ZGMLIHZTUYSTTI-CRAIPNDOSA-N 1 1 385.439 3.823 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001177750166 908736632 /nfs/dbraw/zinc/73/66/32/908736632.db2.gz WCCRLIGMSPSHIL-YWZLYKJASA-N 1 1 385.439 3.966 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001177750166 908736635 /nfs/dbraw/zinc/73/66/35/908736635.db2.gz WCCRLIGMSPSHIL-YWZLYKJASA-N 1 1 385.439 3.966 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@H](COc4ccccc4)C3)c2c(Cl)c1 ZINC000779886148 909061390 /nfs/dbraw/zinc/06/13/90/909061390.db2.gz UYJZFEDKVKJFFU-AWEZNQCLSA-N 1 1 386.839 3.956 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@H](COc4ccccc4)C3)c2c(Cl)c1 ZINC000779886148 909061403 /nfs/dbraw/zinc/06/14/03/909061403.db2.gz UYJZFEDKVKJFFU-AWEZNQCLSA-N 1 1 386.839 3.956 20 5 GHBDMO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC001179458201 909536866 /nfs/dbraw/zinc/53/68/66/909536866.db2.gz QBWCLIBISIAVKC-UHFFFAOYSA-N 1 1 378.226 3.606 20 5 GHBDMO COc1cc(NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c([N+](=O)[O-])cc1F ZINC000268153298 909780282 /nfs/dbraw/zinc/78/02/82/909780282.db2.gz GPZMFFGFJDPSJX-UHFFFAOYSA-N 1 1 392.431 3.671 20 5 GHBDMO C[C@H]1CCC[C@@H]([N@@H+](C)CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795408825 910241505 /nfs/dbraw/zinc/24/15/05/910241505.db2.gz MKBDZJURHWZEOR-WCQYABFASA-N 1 1 396.285 3.781 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)C[N@@H+](C)C1CCCC1 ZINC001180629419 910276417 /nfs/dbraw/zinc/27/64/17/910276417.db2.gz MMFPEEWNZSJNJZ-UHFFFAOYSA-N 1 1 392.503 3.769 20 5 GHBDMO Cc1ccc2c(=O)c3cccc(CC(=O)N[C@]4(C)CCC[N@H+](C)C4)c3oc2c1C ZINC001182513351 911824847 /nfs/dbraw/zinc/82/48/47/911824847.db2.gz FDAGGMPPLXDWIO-XMMPIXPASA-N 1 1 392.499 3.706 20 5 GHBDMO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000284780795 912029720 /nfs/dbraw/zinc/02/97/20/912029720.db2.gz LKUJINSGKPNJJU-REHUZNOOSA-N 1 1 393.483 3.698 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)c1 ZINC001187430827 915285636 /nfs/dbraw/zinc/28/56/36/915285636.db2.gz QGYPHORHTSNMNB-GCJKJVERSA-N 1 1 381.476 3.773 20 5 GHBDMO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(C)c1OC(F)F ZINC000775179620 916044434 /nfs/dbraw/zinc/04/44/34/916044434.db2.gz OCXVZJMAYCHOJR-UHFFFAOYSA-N 1 1 376.363 3.979 20 5 GHBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000293362924 916150642 /nfs/dbraw/zinc/15/06/42/916150642.db2.gz CWFBGTBLJZSBLK-CHWSQXEVSA-N 1 1 399.413 3.996 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293506478 916236934 /nfs/dbraw/zinc/23/69/34/916236934.db2.gz XQOFXGYEGPPOSX-CYBMUJFWSA-N 1 1 387.402 3.711 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccnn1C(C)C ZINC001189372029 916573224 /nfs/dbraw/zinc/57/32/24/916573224.db2.gz RBJGYNAATZYTHO-UHFFFAOYSA-N 1 1 389.459 3.721 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC4(CC3)OCc3ccccc34)n2)c1 ZINC000361343162 916653038 /nfs/dbraw/zinc/65/30/38/916653038.db2.gz VCWWDWBCYHMHSW-UHFFFAOYSA-N 1 1 392.415 3.666 20 5 GHBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C2)C1 ZINC000294329742 916741271 /nfs/dbraw/zinc/74/12/71/916741271.db2.gz XJZNUUOVJQKBSL-HSZRJFAPSA-N 1 1 375.472 3.652 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC001190510831 917374856 /nfs/dbraw/zinc/37/48/56/917374856.db2.gz RPAPTFOLFUOMQH-SFHVURJKSA-N 1 1 397.475 3.811 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295721563 917444842 /nfs/dbraw/zinc/44/48/42/917444842.db2.gz OBQMSPRPVGRNTL-CYBMUJFWSA-N 1 1 395.887 3.592 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001191358516 917926514 /nfs/dbraw/zinc/92/65/14/917926514.db2.gz LXYOADIHRDNGFV-QHCPKHFHSA-N 1 1 395.503 3.962 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)Cc1cccs1 ZINC001191465322 918032101 /nfs/dbraw/zinc/03/21/01/918032101.db2.gz ZUVUCTCHAWFPRX-CYBMUJFWSA-N 1 1 377.466 3.557 20 5 GHBDMO COc1cc(C[NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c([N+](=O)[O-])cc1F ZINC000364071825 919118171 /nfs/dbraw/zinc/11/81/71/919118171.db2.gz CXKLASJFMWPUGR-HXUWFJFHSA-N 1 1 399.422 3.690 20 5 GHBDMO COc1ccc([C@H](C)[N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000117334763 919537418 /nfs/dbraw/zinc/53/74/18/919537418.db2.gz ZOAJOZJSFGSJOC-AWEZNQCLSA-N 1 1 385.420 3.594 20 5 GHBDMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000007926653 920566900 /nfs/dbraw/zinc/56/69/00/920566900.db2.gz MPAZQQCVJSLJOO-UHFFFAOYSA-N 1 1 379.416 3.827 20 5 GHBDMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000007926653 920566909 /nfs/dbraw/zinc/56/69/09/920566909.db2.gz MPAZQQCVJSLJOO-UHFFFAOYSA-N 1 1 379.416 3.827 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801524064 921094520 /nfs/dbraw/zinc/09/45/20/921094520.db2.gz NYHWTTBSRPLYIP-DZGCQCFKSA-N 1 1 381.448 3.859 20 5 GHBDMO CCOc1ccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000902504033 922244698 /nfs/dbraw/zinc/24/46/98/922244698.db2.gz VQEIDLGKOOQBFP-QXATTWAWSA-N 1 1 397.475 3.900 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000748451011 923648211 /nfs/dbraw/zinc/64/82/11/923648211.db2.gz VZHABRCWINOBBT-CQSZACIVSA-N 1 1 392.419 3.626 20 5 GHBDMO O=C1CCC2=C(CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)N1 ZINC000826779796 924180863 /nfs/dbraw/zinc/18/08/63/924180863.db2.gz DDYHWMBTORSLAB-UHFFFAOYSA-N 1 1 387.823 3.878 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000409453493 924634270 /nfs/dbraw/zinc/63/42/70/924634270.db2.gz PFOJXFSBBYTVEI-PBHICJAKSA-N 1 1 379.416 3.906 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000409453498 924634585 /nfs/dbraw/zinc/63/45/85/924634585.db2.gz PFOJXFSBBYTVEI-RHSMWYFYSA-N 1 1 379.416 3.906 20 5 GHBDMO COc1cc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000827178222 924968022 /nfs/dbraw/zinc/96/80/22/924968022.db2.gz GKLKOCCJJIGECD-HOCLYGCPSA-N 1 1 394.374 3.515 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409863970 925079187 /nfs/dbraw/zinc/07/91/87/925079187.db2.gz IJAKVIBMIORGDV-SFHVURJKSA-N 1 1 399.447 3.778 20 5 GHBDMO CC(C)(CCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)[N+](=O)[O-] ZINC000827244297 925117899 /nfs/dbraw/zinc/11/78/99/925117899.db2.gz WSNJLVDGQWSQOE-UHFFFAOYSA-N 1 1 393.487 3.736 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000411125612 926089668 /nfs/dbraw/zinc/08/96/68/926089668.db2.gz LBYFNKHZNUSHNO-CYBMUJFWSA-N 1 1 375.400 3.764 20 5 GHBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485415306 926414531 /nfs/dbraw/zinc/41/45/31/926414531.db2.gz ZILHGUZCFGFAMV-HNNXBMFYSA-N 1 1 381.411 3.913 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)NCc1ccccc1 ZINC000726607111 926760883 /nfs/dbraw/zinc/76/08/83/926760883.db2.gz PLSLNQQPBJVJDA-UHFFFAOYSA-N 1 1 399.834 3.914 20 5 GHBDMO C[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2Cl)CC1 ZINC000749248509 927015713 /nfs/dbraw/zinc/01/57/13/927015713.db2.gz IZQLREUGDMDTTK-UHFFFAOYSA-N 1 1 391.815 3.652 20 5 GHBDMO COc1ccc(Br)cc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749648934 927223099 /nfs/dbraw/zinc/22/30/99/927223099.db2.gz VDBMOTXUZSIUIQ-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO Cc1n[nH]cc1C1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000375390324 928247686 /nfs/dbraw/zinc/24/76/86/928247686.db2.gz KHRDQIMJVBEBKS-ZDUSSCGKSA-N 1 1 382.424 3.617 20 5 GHBDMO O=C1N(C[N@H+](CCc2cccc(F)c2)C2CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752791504 929024011 /nfs/dbraw/zinc/02/40/11/929024011.db2.gz HOHRYHLJGMIYQI-UHFFFAOYSA-N 1 1 398.438 3.641 20 5 GHBDMO O=C1N(C[N@@H+](CCc2cccc(F)c2)C2CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752791504 929024026 /nfs/dbraw/zinc/02/40/26/929024026.db2.gz HOHRYHLJGMIYQI-UHFFFAOYSA-N 1 1 398.438 3.641 20 5 GHBDMO CC[NH+]1CCN(c2ccc(-c3noc(-c4ccccc4[N+](=O)[O-])n3)cc2F)CC1 ZINC000544509908 929245288 /nfs/dbraw/zinc/24/52/88/929245288.db2.gz DCCAVKRNICGCGK-UHFFFAOYSA-N 1 1 397.410 3.593 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000467697827 929312628 /nfs/dbraw/zinc/31/26/28/929312628.db2.gz ZOPLJDMYHGCACL-XYJFISCASA-N 1 1 399.516 3.855 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000467697826 929313171 /nfs/dbraw/zinc/31/31/71/929313171.db2.gz ZOPLJDMYHGCACL-SOLBZPMBSA-N 1 1 399.516 3.855 20 5 GHBDMO CCc1ccc([C@@H]([NH2+][C@H]2CCCN(C(=O)OC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753660163 929466787 /nfs/dbraw/zinc/46/67/87/929466787.db2.gz XYCDAGXLAXHFCW-KXBFYZLASA-N 1 1 387.436 3.660 20 5 GHBDMO CC[C@H]1CN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000544770495 929561342 /nfs/dbraw/zinc/56/13/42/929561342.db2.gz ZWIDBIASCCCVCT-SFHVURJKSA-N 1 1 398.463 3.732 20 5 GHBDMO CC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757104943 929644649 /nfs/dbraw/zinc/64/46/49/929644649.db2.gz UYIYCMACCLMWOR-FUHWJXTLSA-N 1 1 377.485 3.763 20 5 GHBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[N@H+]1Cc1ccccc1 ZINC000757785514 929798453 /nfs/dbraw/zinc/79/84/53/929798453.db2.gz CQTLOUJYABDOCE-NVXWUHKLSA-N 1 1 396.447 3.626 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccccc1OC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174366 930430646 /nfs/dbraw/zinc/43/06/46/930430646.db2.gz SITUIIYCVDOQMX-VBKFSLOCSA-N 1 1 383.448 3.967 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccccc1OC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174366 930430653 /nfs/dbraw/zinc/43/06/53/930430653.db2.gz SITUIIYCVDOQMX-VBKFSLOCSA-N 1 1 383.448 3.967 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000470173779 930431053 /nfs/dbraw/zinc/43/10/53/930431053.db2.gz FLLFRKGGUFFHQC-AWNIVKPZSA-N 1 1 375.375 3.847 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000470173779 930431057 /nfs/dbraw/zinc/43/10/57/930431057.db2.gz FLLFRKGGUFFHQC-AWNIVKPZSA-N 1 1 375.375 3.847 20 5 GHBDMO COc1ccc(Cl)cc1C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782470587 931233875 /nfs/dbraw/zinc/23/38/75/931233875.db2.gz ZFPIIEQTVIAUAW-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000782509902 931247017 /nfs/dbraw/zinc/24/70/17/931247017.db2.gz OJGVBHDWAMZNJL-ZBFHGGJFSA-N 1 1 379.432 3.708 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000782509902 931247027 /nfs/dbraw/zinc/24/70/27/931247027.db2.gz OJGVBHDWAMZNJL-ZBFHGGJFSA-N 1 1 379.432 3.708 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000784006138 931752883 /nfs/dbraw/zinc/75/28/83/931752883.db2.gz CIJFCCLVRKFSMF-KXBFYZLASA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000784006138 931752887 /nfs/dbraw/zinc/75/28/87/931752887.db2.gz CIJFCCLVRKFSMF-KXBFYZLASA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000784008484 931753336 /nfs/dbraw/zinc/75/33/36/931753336.db2.gz IIKVKALLYGNSKC-NHCUHLMSSA-N 1 1 378.432 3.988 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000784008484 931753341 /nfs/dbraw/zinc/75/33/41/931753341.db2.gz IIKVKALLYGNSKC-NHCUHLMSSA-N 1 1 378.432 3.988 20 5 GHBDMO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)c1 ZINC000784029679 931760837 /nfs/dbraw/zinc/76/08/37/931760837.db2.gz NFJJPSQEXIZNTD-SFHVURJKSA-N 1 1 377.448 3.917 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000558060437 931820945 /nfs/dbraw/zinc/82/09/45/931820945.db2.gz NMYXBLJOROJNIO-HXUWFJFHSA-N 1 1 395.459 3.502 20 5 GHBDMO C[N@H+]1CCC[C@@]2(CCN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C2)C1 ZINC000558951220 932334383 /nfs/dbraw/zinc/33/43/83/932334383.db2.gz WVYSOYBRDWGBNR-CQSZACIVSA-N 1 1 394.344 3.566 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@]1(c2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000927119978 932420596 /nfs/dbraw/zinc/42/05/96/932420596.db2.gz NFFIWDUGVKRKIY-RBBKRZOGSA-N 1 1 392.459 3.713 20 5 GHBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798072868 932518267 /nfs/dbraw/zinc/51/82/67/932518267.db2.gz VRABTIKPCPFADC-OAHLLOKOSA-N 1 1 397.878 3.843 20 5 GHBDMO Cc1c(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000798479346 932663173 /nfs/dbraw/zinc/66/31/73/932663173.db2.gz OJPYCJYVZYVMOG-NRFANRHFSA-N 1 1 382.464 3.937 20 5 GHBDMO Cc1c(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000799056981 932865768 /nfs/dbraw/zinc/86/57/68/932865768.db2.gz JCYQCJUHBSZPKW-UHFFFAOYSA-N 1 1 392.799 3.779 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000799156996 932891556 /nfs/dbraw/zinc/89/15/56/932891556.db2.gz NDMMDEQPCWOGDS-IDCXYZFESA-N 1 1 384.480 3.677 20 5 GHBDMO Cc1csc(CCCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000560527655 933313024 /nfs/dbraw/zinc/31/30/24/933313024.db2.gz NGUNYKWUNJPCGL-SFHVURJKSA-N 1 1 385.493 3.795 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001116135052 933355216 /nfs/dbraw/zinc/35/52/16/933355216.db2.gz CCDPDNXGNAPXJQ-OAQYLSRUSA-N 1 1 379.460 3.800 20 5 GHBDMO Cc1nc(-c2ccccc2)n(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001116151862 933365317 /nfs/dbraw/zinc/36/53/17/933365317.db2.gz JZIVZGDATGDPPK-UHFFFAOYSA-N 1 1 393.447 3.663 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001116243667 933432351 /nfs/dbraw/zinc/43/23/51/933432351.db2.gz WEFDSQUTSAXLJY-UHFFFAOYSA-N 1 1 381.476 3.570 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)o1 ZINC001118651177 934216994 /nfs/dbraw/zinc/21/69/94/934216994.db2.gz UZNDZTYDYIKYSL-CYBMUJFWSA-N 1 1 387.827 3.622 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(CN3CCC[N@@H+](Cc4ccccc4)CC3)c2)c1 ZINC000777951890 934358290 /nfs/dbraw/zinc/35/82/90/934358290.db2.gz MKFPLZKXNHRYFJ-UHFFFAOYSA-N 1 1 391.475 3.624 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](Nc3nc4ccccn4c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000778010254 934621199 /nfs/dbraw/zinc/62/11/99/934621199.db2.gz PFROZBNQJDPOGX-PKOBYXMFSA-N 1 1 393.447 3.641 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnn(C2CCCCC2)c1 ZINC001122871050 935014928 /nfs/dbraw/zinc/01/49/28/935014928.db2.gz RVDLRHQRCPOXPG-FQEVSTJZSA-N 1 1 398.463 3.728 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnn(C2CCCCC2)c1 ZINC001122871050 935014934 /nfs/dbraw/zinc/01/49/34/935014934.db2.gz RVDLRHQRCPOXPG-FQEVSTJZSA-N 1 1 398.463 3.728 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc(Cl)n1)[C@H]1CC[C@H](O)CC1 ZINC000828807934 935716103 /nfs/dbraw/zinc/71/61/03/935716103.db2.gz VBEBIWNDVNYHDX-QAQDUYKDSA-N 1 1 375.856 3.949 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc(Cl)n1)[C@H]1CC[C@H](O)CC1 ZINC000828807934 935716107 /nfs/dbraw/zinc/71/61/07/935716107.db2.gz VBEBIWNDVNYHDX-QAQDUYKDSA-N 1 1 375.856 3.949 20 5 GHBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001626111804 1014923523 /nfs/dbraw/zinc/92/35/23/1014923523.db2.gz SLWYPJJHZGMZJH-MRXNPFEDSA-N 1 1 383.448 3.849 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000468243218 1015484780 /nfs/dbraw/zinc/48/47/80/1015484780.db2.gz RKWAMBWCAKWNFV-INIZCTEOSA-N 1 1 385.439 3.572 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000468243218 1015484793 /nfs/dbraw/zinc/48/47/93/1015484793.db2.gz RKWAMBWCAKWNFV-INIZCTEOSA-N 1 1 385.439 3.572 20 5 GHBDMO COCCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000546634958 1016698750 /nfs/dbraw/zinc/69/87/50/1016698750.db2.gz WTTJUFYXHAUTQW-UHFFFAOYSA-N 1 1 380.828 3.572 20 5 GHBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c1 ZINC001155102961 1032415705 /nfs/dbraw/zinc/41/57/05/1032415705.db2.gz HKSCVQFLLSMHQC-SFHVURJKSA-N 1 1 395.850 3.611 20 5 GHBDMO C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC001221495238 1032436067 /nfs/dbraw/zinc/43/60/67/1032436067.db2.gz BHEZBRIIIOEBDO-INIZCTEOSA-N 1 1 396.491 3.792 20 5 GHBDMO Cc1noc(C[NH+]2CCC(c3nc(-c4ccncc4)cs3)CC2)c1[N+](=O)[O-] ZINC000932557911 1018455863 /nfs/dbraw/zinc/45/58/63/1018455863.db2.gz RFDHGAPPCSXJOI-UHFFFAOYSA-N 1 1 385.449 3.789 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c2ccccc2)c1 ZINC000779057479 1020342872 /nfs/dbraw/zinc/34/28/72/1020342872.db2.gz BIRXYMIIKRLXTR-GOTSBHOMSA-N 1 1 395.503 3.917 20 5 GHBDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)cc1 ZINC000801519936 1021402477 /nfs/dbraw/zinc/40/24/77/1021402477.db2.gz ZVDNAASRHYSILB-UHFFFAOYSA-N 1 1 385.439 3.571 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801521184 1021402961 /nfs/dbraw/zinc/40/29/61/1021402961.db2.gz XNGOVMOBRHONKA-CYBMUJFWSA-N 1 1 392.818 3.633 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801521184 1021402971 /nfs/dbraw/zinc/40/29/71/1021402971.db2.gz XNGOVMOBRHONKA-CYBMUJFWSA-N 1 1 392.818 3.633 20 5 GHBDMO O=[N+]([O-])c1c(F)cc(F)cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001228613056 1033007418 /nfs/dbraw/zinc/00/74/18/1033007418.db2.gz OKYPTRRBCKXYCS-MRXNPFEDSA-N 1 1 378.375 3.543 20 5 GHBDMO COCC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000754460548 1022720611 /nfs/dbraw/zinc/72/06/11/1022720611.db2.gz LLJBECWCHGYXEJ-BXUZGUMPSA-N 1 1 381.816 3.536 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000836782134 1023363419 /nfs/dbraw/zinc/36/34/19/1023363419.db2.gz WTHQGDNMVJMVTH-UONOGXRCSA-N 1 1 379.888 3.939 20 5 GHBDMO CC(=O)c1ccc2c(c1)CC[N@@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)CC2 ZINC000755776140 1023372954 /nfs/dbraw/zinc/37/29/54/1023372954.db2.gz XLQKJVAFXWVVAN-UHFFFAOYSA-N 1 1 390.443 3.719 20 5 GHBDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)CC2 ZINC000755776140 1023372961 /nfs/dbraw/zinc/37/29/61/1023372961.db2.gz XLQKJVAFXWVVAN-UHFFFAOYSA-N 1 1 390.443 3.719 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001229059838 1033256214 /nfs/dbraw/zinc/25/62/14/1033256214.db2.gz WPQQBJBFFXWCCZ-BEFAXECRSA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1ccc([S@@](C)=O)cc1 ZINC000839544461 1026038693 /nfs/dbraw/zinc/03/86/93/1026038693.db2.gz SWPLPJYFEGFQJR-QVQLBTGDSA-N 1 1 397.294 3.946 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000839594409 1026095164 /nfs/dbraw/zinc/09/51/64/1026095164.db2.gz UTKVFUKIDISUJC-QGZVFWFLSA-N 1 1 377.485 3.716 20 5 GHBDMO COCC[N@@H+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccc(Cl)cc1 ZINC001163385424 1026170723 /nfs/dbraw/zinc/17/07/23/1026170723.db2.gz MFFHPTBXXIPZSH-QGZVFWFLSA-N 1 1 378.860 3.683 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)cn21 ZINC001164493661 1026531776 /nfs/dbraw/zinc/53/17/76/1026531776.db2.gz VRCFUKUFSJVCRY-NZSAHSFTSA-N 1 1 377.448 3.565 20 5 GHBDMO Cc1nc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)ccc1[N+](=O)[O-] ZINC001166569037 1027029258 /nfs/dbraw/zinc/02/92/58/1027029258.db2.gz BAPRVERSLPASPI-UHFFFAOYSA-N 1 1 383.839 3.826 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000840148555 1027281215 /nfs/dbraw/zinc/28/12/15/1027281215.db2.gz QDBIXPNJLNXCCN-UAPYVXQJSA-N 1 1 393.447 3.697 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC001461224095 1069450364 /nfs/dbraw/zinc/45/03/64/1069450364.db2.gz LHQZOOFDNACCRW-OAHLLOKOSA-N 1 1 385.645 3.834 20 5 GHBDMO COc1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CCC[N@H+](C(C)C)C2)cc1SC ZINC000842833312 1029621007 /nfs/dbraw/zinc/62/10/07/1029621007.db2.gz KQNCVVVSYZFOEZ-ZDUSSCGKSA-N 1 1 382.482 3.603 20 5 GHBDMO COc1ccc(-c2noc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])n2)cc1F ZINC001216552951 1029683453 /nfs/dbraw/zinc/68/34/53/1029683453.db2.gz QBAAUVBVUNDWQB-UHFFFAOYSA-N 1 1 395.350 3.954 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])c(-c2nc(-c3ccccc3N(C)C)no2)c1 ZINC001216552752 1029683701 /nfs/dbraw/zinc/68/37/01/1029683701.db2.gz GOEUJANWBJAVEZ-UHFFFAOYSA-N 1 1 390.403 3.872 20 5 GHBDMO c1cc2ccc3ccc(C[N@H+]4CCOC[C@]5(CNCCO5)C4)c4ccc(c1)c2c34 ZINC001222186344 1029993174 /nfs/dbraw/zinc/99/31/74/1029993174.db2.gz FEBNMJSWNVJCBR-VWLOTQADSA-N 1 1 386.495 3.775 20 5 GHBDMO c1cc2ccc3ccc(CN4CCOC[C@]5(C[NH2+]CCO5)C4)c4ccc(c1)c2c34 ZINC001222186344 1029993177 /nfs/dbraw/zinc/99/31/77/1029993177.db2.gz FEBNMJSWNVJCBR-VWLOTQADSA-N 1 1 386.495 3.775 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](n3cccn3)C(F)(F)F)o2)c1 ZINC001461661177 1069664521 /nfs/dbraw/zinc/66/45/21/1069664521.db2.gz OQPYCSOVYNTYCU-INIZCTEOSA-N 1 1 380.326 3.945 20 5 GHBDMO C[NH2+][C@H]1C[C@H](Oc2cc(O)c(CC=C(C)C)c3oc4c(O)cccc4c(=O)c23)C1 ZINC001217956118 1030687174 /nfs/dbraw/zinc/68/71/74/1030687174.db2.gz JSSYOEGAIPLXFK-HDJSIYSDSA-N 1 1 395.455 3.995 20 5 GHBDMO COC(=O)c1cc(CO[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001223688490 1030706125 /nfs/dbraw/zinc/70/61/25/1030706125.db2.gz NETHPBZYZWLKFU-HXUWFJFHSA-N 1 1 384.432 3.563 20 5 GHBDMO C[NH+](C)CC(=O)Nc1ccc2nc(OC3CCC(O)CC3)c3ccccc3c2c1 ZINC001218368156 1030910501 /nfs/dbraw/zinc/91/05/01/1030910501.db2.gz GLQBTQALWOKYMG-UHFFFAOYSA-N 1 1 393.487 3.570 20 5 GHBDMO CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979389 1031192079 /nfs/dbraw/zinc/19/20/79/1031192079.db2.gz GIXZSAWWWFOLKZ-INIZCTEOSA-N 1 1 394.475 3.561 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC001152419814 1031233572 /nfs/dbraw/zinc/23/35/72/1031233572.db2.gz ULDKLVNOQGWYJX-RDJZCZTQSA-N 1 1 385.439 3.537 20 5 GHBDMO CCOc1cc(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001219315705 1031352662 /nfs/dbraw/zinc/35/26/62/1031352662.db2.gz IXXVHLVCEMHPKI-GASCZTMLSA-N 1 1 392.500 3.872 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccn2nccc2c1 ZINC001152840815 1031375349 /nfs/dbraw/zinc/37/53/49/1031375349.db2.gz PFLPGKKNPAQAON-UHFFFAOYSA-N 1 1 397.438 3.591 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc3oc4ccccc4c(=O)c3c2)[C@@H](C)C1 ZINC001153427378 1031585090 /nfs/dbraw/zinc/58/50/90/1031585090.db2.gz AOQFCFAGCUVEJT-KXBFYZLASA-N 1 1 378.472 3.795 20 5 GHBDMO CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001229245062 1033365065 /nfs/dbraw/zinc/36/50/65/1033365065.db2.gz WVQLIMROLJCWEU-GFCCVEGCSA-N 1 1 385.258 3.812 20 5 GHBDMO COc1c(O)ccc(C[N@H+](CCc2ccccc2)Cc2ccncc2)c1[N+](=O)[O-] ZINC001205671108 1033522151 /nfs/dbraw/zinc/52/21/51/1033522151.db2.gz ORMALEUSXKHLMF-UHFFFAOYSA-N 1 1 393.443 3.949 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](CCc2ccccc2)Cc2ccncc2)c1[N+](=O)[O-] ZINC001205671108 1033522157 /nfs/dbraw/zinc/52/21/57/1033522157.db2.gz ORMALEUSXKHLMF-UHFFFAOYSA-N 1 1 393.443 3.949 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001229959824 1033818188 /nfs/dbraw/zinc/81/81/88/1033818188.db2.gz GRUXQGRNIKUFLV-JKSUJKDBSA-N 1 1 399.447 3.689 20 5 GHBDMO COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O[C@H](C)C[N+](C)(C)C ZINC001230087620 1033892468 /nfs/dbraw/zinc/89/24/68/1033892468.db2.gz YVKXTWVCERZHCM-CQSZACIVSA-O 1 1 384.452 3.648 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001230248119 1033961145 /nfs/dbraw/zinc/96/11/45/1033961145.db2.gz XNRAKIUQIDAZHQ-BTYIYWSLSA-N 1 1 383.448 3.843 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4CC[C@H]4C3)cnc2Cl)c1 ZINC001158432066 1034076306 /nfs/dbraw/zinc/07/63/06/1034076306.db2.gz VUCXJFVIJVKORC-HNNXBMFYSA-N 1 1 394.809 3.749 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[N@H+]4CC[C@H]4C3)cnc2Cl)c1 ZINC001158432066 1034076323 /nfs/dbraw/zinc/07/63/23/1034076323.db2.gz VUCXJFVIJVKORC-HNNXBMFYSA-N 1 1 394.809 3.749 20 5 GHBDMO COC(=O)c1ccc([C@@H]2CCCN2c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)cc1 ZINC001158598690 1034189817 /nfs/dbraw/zinc/18/98/17/1034189817.db2.gz VITUNTHDCNMLLO-KSEUIEODSA-N 1 1 396.447 3.650 20 5 GHBDMO CCOC(=O)c1ccc(O[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)cc1[N+](=O)[O-] ZINC001230918366 1034286879 /nfs/dbraw/zinc/28/68/79/1034286879.db2.gz ONEZVIKDWYFAPX-INIZCTEOSA-N 1 1 385.420 3.523 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(O[C@@H]3CC[N@@H+](Cc4ccccc4Cl)C3)c21 ZINC001231055376 1034368251 /nfs/dbraw/zinc/36/82/51/1034368251.db2.gz INWLAZKJZURYEU-CQSZACIVSA-N 1 1 384.823 3.845 20 5 GHBDMO Cc1nc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])cc1Br ZINC001231120005 1034410575 /nfs/dbraw/zinc/41/05/75/1034410575.db2.gz FKEBNBJJCKBZEM-ITGUQSILSA-N 1 1 384.274 3.843 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001207669603 1034520622 /nfs/dbraw/zinc/52/06/22/1034520622.db2.gz HSODIJZTZOWTSU-VHUCWBOISA-N 1 1 375.469 3.939 20 5 GHBDMO CCCC(=O)Nc1c(O[C@@H]2CC[N@H+]([C@@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001231360964 1034535548 /nfs/dbraw/zinc/53/55/48/1034535548.db2.gz BOYKVFTWJDBPFO-JKSUJKDBSA-N 1 1 398.463 3.943 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)n1 ZINC001213026913 1035072952 /nfs/dbraw/zinc/07/29/52/1035072952.db2.gz YTYWDHQTWPRDFE-MRXNPFEDSA-N 1 1 392.350 3.578 20 5 GHBDMO O=C1N(c2ccccc2)CC12C[NH+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232223444 1035171374 /nfs/dbraw/zinc/17/13/74/1035171374.db2.gz MQLMZIPJWODHTF-UHFFFAOYSA-N 1 1 380.451 3.632 20 5 GHBDMO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)n1 ZINC001232229047 1035173157 /nfs/dbraw/zinc/17/31/57/1035173157.db2.gz YKTMPKQGCADYRC-HXUWFJFHSA-N 1 1 385.471 3.925 20 5 GHBDMO COc1ccnc(N2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)c1 ZINC001232228666 1035173407 /nfs/dbraw/zinc/17/34/07/1035173407.db2.gz UJEHWEKEWYVWCW-UHFFFAOYSA-N 1 1 385.471 3.509 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(OC(F)(F)F)c2)no1 ZINC001248210533 1035642819 /nfs/dbraw/zinc/64/28/19/1035642819.db2.gz RQLASYXUFWYHLM-AWEZNQCLSA-N 1 1 394.309 3.786 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1)C2 ZINC001246945061 1037749672 /nfs/dbraw/zinc/74/96/72/1037749672.db2.gz FKDCXVGPALILMM-NRFANRHFSA-N 1 1 385.895 3.970 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C1 ZINC001233506102 1039396910 /nfs/dbraw/zinc/39/69/10/1039396910.db2.gz LWCLQUVODNTGGS-VXGBXAGGSA-N 1 1 387.827 3.734 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1[N+](=O)[O-] ZINC001234056037 1039789510 /nfs/dbraw/zinc/78/95/10/1039789510.db2.gz BNNGHTAPVBSFAC-LKUPVBHCSA-N 1 1 396.443 3.671 20 5 GHBDMO C[C@@H](Oc1nccc2c1cccc2[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234674342 1040206257 /nfs/dbraw/zinc/20/62/57/1040206257.db2.gz NRKZLVNWWIQGLC-IIBYNOLFSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@@H](Oc1nccc2c1cccc2[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234674342 1040206266 /nfs/dbraw/zinc/20/62/66/1040206266.db2.gz NRKZLVNWWIQGLC-IIBYNOLFSA-N 1 1 393.443 3.811 20 5 GHBDMO Cc1cccnc1O[C@H]1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254482434 1040269542 /nfs/dbraw/zinc/26/95/42/1040269542.db2.gz JCOHMKNIYNBSPO-NRFANRHFSA-N 1 1 396.491 3.810 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254561683 1040335002 /nfs/dbraw/zinc/33/50/02/1040335002.db2.gz IGPAFPVRUYZFJS-INIZCTEOSA-N 1 1 389.496 3.859 20 5 GHBDMO Cc1ccc(CN2C[C@@H]3C[NH+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3C2)cc1 ZINC001254563402 1040336918 /nfs/dbraw/zinc/33/69/18/1040336918.db2.gz ZWJPSXGFMQNRNC-STZQEDGTSA-N 1 1 379.504 3.898 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(c3ccccc3OC2=O)C1(C)C ZINC001254563818 1040338427 /nfs/dbraw/zinc/33/84/27/1040338427.db2.gz DDVRMNAOSVERFA-QRQCRPRQSA-N 1 1 380.444 3.867 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254564077 1040339181 /nfs/dbraw/zinc/33/91/81/1040339181.db2.gz IGZOYGVOSNJBLK-CZUORRHYSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254564077 1040339198 /nfs/dbraw/zinc/33/91/98/1040339198.db2.gz IGZOYGVOSNJBLK-CZUORRHYSA-N 1 1 399.438 3.760 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254590850 1040364264 /nfs/dbraw/zinc/36/42/64/1040364264.db2.gz ZNGVPENIZLJRCB-JTSKRJEESA-N 1 1 399.454 3.723 20 5 GHBDMO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593202 1040365364 /nfs/dbraw/zinc/36/53/64/1040365364.db2.gz JXDOVIYWGVYUJL-CLCXKQKWSA-N 1 1 389.496 3.687 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H](OCC3CC3)[C@@H]1Cc1cccnc1)C2 ZINC001254597660 1040369007 /nfs/dbraw/zinc/36/90/07/1040369007.db2.gz UZCAPJMAUAAGBV-VJBWXMMDSA-N 1 1 393.487 3.569 20 5 GHBDMO CC(C)(C)OC(=O)N1CCCCC12C[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254602124 1040372906 /nfs/dbraw/zinc/37/29/06/1040372906.db2.gz BZYPRBJXYBRVEP-GOSISDBHSA-N 1 1 387.480 3.537 20 5 GHBDMO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603620 1040374911 /nfs/dbraw/zinc/37/49/11/1040374911.db2.gz OTXRIXNOKRNWHX-XSONFBQWSA-N 1 1 395.507 3.953 20 5 GHBDMO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610613 1040382501 /nfs/dbraw/zinc/38/25/01/1040382501.db2.gz LTPNYLWWNDBAOZ-RXVVDRJESA-N 1 1 380.444 3.517 20 5 GHBDMO O=[N+]([O-])c1cccc(OCc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255365199 1040964207 /nfs/dbraw/zinc/96/42/07/1040964207.db2.gz LUSHDZCGIHORMB-MRXNPFEDSA-N 1 1 380.404 3.546 20 5 GHBDMO COc1cc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc([N+](=O)[O-])c1 ZINC001255479565 1041078398 /nfs/dbraw/zinc/07/83/98/1041078398.db2.gz WYEABPIDVFCZAZ-HNNXBMFYSA-N 1 1 380.404 3.643 20 5 GHBDMO COc1cc(C)c([N+](=O)[O-])cc1-c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255486928 1041086256 /nfs/dbraw/zinc/08/62/56/1041086256.db2.gz MEMWHMJBZNIPBG-MRXNPFEDSA-N 1 1 394.431 3.951 20 5 GHBDMO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC001293470985 1044199819 /nfs/dbraw/zinc/19/98/19/1044199819.db2.gz RMKMPZWZERBMJQ-LBPRGKRZSA-N 1 1 379.819 3.638 20 5 GHBDMO CC[N@H+]1CCCC[C@H]1Cn1c(C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001296079046 1045247278 /nfs/dbraw/zinc/24/72/78/1045247278.db2.gz BRSHARISKWCSTR-IBGZPJMESA-N 1 1 398.511 3.538 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@](CO)(C(C)C)C2)cc1OC ZINC001261200212 1045917573 /nfs/dbraw/zinc/91/75/73/1045917573.db2.gz PXVVBCNPNBIZRT-IIBYNOLFSA-N 1 1 394.512 3.869 20 5 GHBDMO [NH3+][C@@H](c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1)c1ccccc1 ZINC001261480657 1046003755 /nfs/dbraw/zinc/00/37/55/1046003755.db2.gz VYTNZOYQGQKPFN-GOSISDBHSA-N 1 1 379.420 3.683 20 5 GHBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001303273066 1047334743 /nfs/dbraw/zinc/33/47/43/1047334743.db2.gz PXECTPUSJDKMHZ-VQTJNVASSA-N 1 1 394.475 3.516 20 5 GHBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001303273064 1047335074 /nfs/dbraw/zinc/33/50/74/1047335074.db2.gz PXECTPUSJDKMHZ-PMACEKPBSA-N 1 1 394.475 3.516 20 5 GHBDMO C[C@H](CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001306988737 1048993745 /nfs/dbraw/zinc/99/37/45/1048993745.db2.gz GMSAGPHSEBLQLT-MRXNPFEDSA-N 1 1 394.475 3.769 20 5 GHBDMO COC(=O)c1cc(C)nc(NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1[N+](=O)[O-] ZINC001307124411 1049090581 /nfs/dbraw/zinc/09/05/81/1049090581.db2.gz DDTLXJJCGHIWKO-UHFFFAOYSA-N 1 1 398.463 3.551 20 5 GHBDMO CC(C)Oc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001307185800 1049124996 /nfs/dbraw/zinc/12/49/96/1049124996.db2.gz UAYNKKFOUQNDCY-AEFFLSMTSA-N 1 1 384.480 3.957 20 5 GHBDMO CCC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC001307592605 1049430180 /nfs/dbraw/zinc/43/01/80/1049430180.db2.gz OYXBPXBCPUZLHL-OAHLLOKOSA-N 1 1 390.311 3.834 20 5 GHBDMO CC(C)c1nc(CC2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC001307890058 1049669799 /nfs/dbraw/zinc/66/97/99/1049669799.db2.gz PVMGHAZZARYOKO-UHFFFAOYSA-N 1 1 387.484 3.560 20 5 GHBDMO CC(C)c1nnc(CC2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC001307890058 1049669805 /nfs/dbraw/zinc/66/98/05/1049669805.db2.gz PVMGHAZZARYOKO-UHFFFAOYSA-N 1 1 387.484 3.560 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F ZINC001307914138 1049691837 /nfs/dbraw/zinc/69/18/37/1049691837.db2.gz JQIJWAPKESMWGS-GOSISDBHSA-N 1 1 387.411 3.908 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001308121306 1049864341 /nfs/dbraw/zinc/86/43/41/1049864341.db2.gz GLLLEYCTWWRGHG-RQMBKDMJSA-N 1 1 377.444 3.662 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H]1/C=C/c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001308121306 1049864363 /nfs/dbraw/zinc/86/43/63/1049864363.db2.gz GLLLEYCTWWRGHG-RQMBKDMJSA-N 1 1 377.444 3.662 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001308293417 1049940064 /nfs/dbraw/zinc/94/00/64/1049940064.db2.gz UIOHXUASFIKTGD-AWEZNQCLSA-N 1 1 382.302 3.711 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(CC(F)(F)F)cc3)C2)nc1 ZINC001308572630 1050014705 /nfs/dbraw/zinc/01/47/05/1050014705.db2.gz AGJNHLLHCZCVHA-OAHLLOKOSA-N 1 1 380.370 3.781 20 5 GHBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC001308711532 1050068098 /nfs/dbraw/zinc/06/80/98/1050068098.db2.gz OYQOYDBSCNMMPH-AWEZNQCLSA-N 1 1 392.477 3.661 20 5 GHBDMO O=C(Nc1cc[nH+]c(N2CCCCC2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001311247382 1051965214 /nfs/dbraw/zinc/96/52/14/1051965214.db2.gz MSNBJENXQDQQFD-UHFFFAOYSA-N 1 1 381.436 3.570 20 5 GHBDMO Cc1cc(NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001311322255 1052018276 /nfs/dbraw/zinc/01/82/76/1052018276.db2.gz GTJYGIMTHLLIFJ-LJQANCHMSA-N 1 1 382.464 3.684 20 5 GHBDMO COc1ccc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001345370629 1055010328 /nfs/dbraw/zinc/01/03/28/1055010328.db2.gz LUMOXWVSWFJYGM-HOCLYGCPSA-N 1 1 384.436 3.560 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001319483302 1055276518 /nfs/dbraw/zinc/27/65/18/1055276518.db2.gz NODYNUFLNZRWRC-LSDHHAIUSA-N 1 1 393.447 3.678 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001319483302 1055276530 /nfs/dbraw/zinc/27/65/30/1055276530.db2.gz NODYNUFLNZRWRC-LSDHHAIUSA-N 1 1 393.447 3.678 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001322221966 1056579350 /nfs/dbraw/zinc/57/93/50/1056579350.db2.gz LPCMKFZORBVPTA-CQSZACIVSA-N 1 1 382.420 3.716 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)cc1 ZINC001324259975 1057099989 /nfs/dbraw/zinc/09/99/89/1057099989.db2.gz ZRFPBYABYJNBNQ-UHFFFAOYSA-N 1 1 383.477 3.620 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC001324716976 1057210343 /nfs/dbraw/zinc/21/03/43/1057210343.db2.gz UOBLWTQKILQEFH-CQSZACIVSA-N 1 1 396.447 3.868 20 5 GHBDMO CCc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001356357506 1057487353 /nfs/dbraw/zinc/48/73/53/1057487353.db2.gz WFUMJZYLJOPLHA-IRXDYDNUSA-N 1 1 381.476 3.892 20 5 GHBDMO CCc1ccc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001356357506 1057487358 /nfs/dbraw/zinc/48/73/58/1057487358.db2.gz WFUMJZYLJOPLHA-IRXDYDNUSA-N 1 1 381.476 3.892 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(NCCc3[nH+]ccn3C)c([N+](=O)[O-])c2)cc1 ZINC001337636792 1058196858 /nfs/dbraw/zinc/19/68/58/1058196858.db2.gz ISUNDUZHMKQDRK-UHFFFAOYSA-N 1 1 379.420 3.544 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001457231912 1063048735 /nfs/dbraw/zinc/04/87/35/1063048735.db2.gz UOESRXMBOPEJNV-MWRLGJARSA-N 1 1 393.487 3.868 20 5 GHBDMO CC1(C)C[N@H+](C2(CNc3ncnc4ccc([N+](=O)[O-])cc43)CCCCC2)CCO1 ZINC001458172749 1063628408 /nfs/dbraw/zinc/62/84/08/1063628408.db2.gz GNOOGKNWCHIIMP-UHFFFAOYSA-N 1 1 399.495 3.764 20 5 GHBDMO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1F ZINC001458282607 1063718420 /nfs/dbraw/zinc/71/84/20/1063718420.db2.gz IJHHONOWXLOIQF-XKGZKEIXSA-N 1 1 399.466 3.939 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001458536299 1063872921 /nfs/dbraw/zinc/87/29/21/1063872921.db2.gz KRXDQDFZOGGTFT-YJBOKZPZSA-N 1 1 394.475 3.660 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC001459621910 1064147042 /nfs/dbraw/zinc/14/70/42/1064147042.db2.gz ZTKUSLDFZSLWIK-OAHLLOKOSA-N 1 1 379.258 3.699 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC001459621910 1064147045 /nfs/dbraw/zinc/14/70/45/1064147045.db2.gz ZTKUSLDFZSLWIK-OAHLLOKOSA-N 1 1 379.258 3.699 20 5 GHBDMO C[C@@H](Cc1cccs1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001459632466 1064151258 /nfs/dbraw/zinc/15/12/58/1064151258.db2.gz ZGXGBYRDIMIHQD-ZDUSSCGKSA-N 1 1 375.450 3.517 20 5 GHBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001459697138 1064174651 /nfs/dbraw/zinc/17/46/51/1064174651.db2.gz XIKMRBDBKRIHOT-ROUUACIJSA-N 1 1 377.485 3.757 20 5 GHBDMO C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1Cc1ccccc1 ZINC001465543599 1065702629 /nfs/dbraw/zinc/70/26/29/1065702629.db2.gz SRMRCWDOWLTRBK-INIZCTEOSA-N 1 1 388.855 3.639 20 5 GHBDMO C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1Cc1ccccc1 ZINC001465543599 1065702643 /nfs/dbraw/zinc/70/26/43/1065702643.db2.gz SRMRCWDOWLTRBK-INIZCTEOSA-N 1 1 388.855 3.639 20 5 GHBDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC001473259316 1067064746 /nfs/dbraw/zinc/06/47/46/1067064746.db2.gz GXEIMZFGTJGVQW-MSOLQXFVSA-N 1 1 395.475 3.978 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001468631838 1067798094 /nfs/dbraw/zinc/79/80/94/1067798094.db2.gz UIVQDPWEGUJXAL-HXUWFJFHSA-N 1 1 388.512 3.923 20 5 GHBDMO O=C1[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1c1ccccc1 ZINC001460126664 1068796746 /nfs/dbraw/zinc/79/67/46/1068796746.db2.gz DZIDJOXQYKQTDG-RXVVDRJESA-N 1 1 379.460 3.970 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)C1 ZINC001460302788 1068915297 /nfs/dbraw/zinc/91/52/97/1068915297.db2.gz IXFULWPJJFVSSG-KLVAFBDRSA-N 1 1 389.540 3.678 20 5 GHBDMO Cc1c(NC(=O)CC[NH+]2CCN([C@H](C)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001460709693 1069110033 /nfs/dbraw/zinc/11/00/33/1069110033.db2.gz XIONAYWUECJKOD-GOSISDBHSA-N 1 1 396.491 3.611 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001460880724 1069249355 /nfs/dbraw/zinc/24/93/55/1069249355.db2.gz LUAAYZSCXASFFB-GDBMZVCRSA-N 1 1 393.484 3.586 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001460927223 1069278954 /nfs/dbraw/zinc/27/89/54/1069278954.db2.gz BCBNWYBVXDFEHJ-BQFCYCMXSA-N 1 1 375.469 3.515 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001470776319 1072732269 /nfs/dbraw/zinc/73/22/69/1072732269.db2.gz GYLFFPHPPXJDHL-FOIQADDNSA-N 1 1 381.476 3.852 20 5 GHBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001471688012 1073180903 /nfs/dbraw/zinc/18/09/03/1073180903.db2.gz YMJMTBRIZCFFQB-OALUTQOASA-N 1 1 381.432 3.696 20 5 GHBDMO C[NH+]1CCC(N2CCC(Nc3c(Cl)c(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC001472677418 1073611934 /nfs/dbraw/zinc/61/19/34/1073611934.db2.gz SDNFKWDWJKGYEY-UHFFFAOYSA-N 1 1 387.311 3.872 20 5 GHBDMO CCOC(=O)c1ccnc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC001472686440 1073618372 /nfs/dbraw/zinc/61/83/72/1073618372.db2.gz PZPVDPZQOLPNTA-MRXNPFEDSA-N 1 1 390.484 3.623 20 5 GHBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001472754141 1073650951 /nfs/dbraw/zinc/65/09/51/1073650951.db2.gz QPRYAYYFUUEAMV-GJZGRUSLSA-N 1 1 386.496 3.552 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001472851716 1073693824 /nfs/dbraw/zinc/69/38/24/1073693824.db2.gz KRPOBGVGFWBKBI-YJBOKZPZSA-N 1 1 383.448 3.561 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC001473133992 1073797598 /nfs/dbraw/zinc/79/75/98/1073797598.db2.gz JWCUPMXVCTYREQ-GOSISDBHSA-N 1 1 397.475 3.805 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC001473133992 1073797606 /nfs/dbraw/zinc/79/76/06/1073797606.db2.gz JWCUPMXVCTYREQ-GOSISDBHSA-N 1 1 397.475 3.805 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001473175650 1073833333 /nfs/dbraw/zinc/83/33/33/1073833333.db2.gz NDTCUEVYLRHOEO-MOPGFXCFSA-N 1 1 389.496 3.983 20 5 GHBDMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473334347 1073925221 /nfs/dbraw/zinc/92/52/21/1073925221.db2.gz PIPGSSDZPQMNPR-CVEARBPZSA-N 1 1 393.484 3.693 20 5 GHBDMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473334347 1073925222 /nfs/dbraw/zinc/92/52/22/1073925222.db2.gz PIPGSSDZPQMNPR-CVEARBPZSA-N 1 1 393.484 3.693 20 5 GHBDMO C[C@@](O)(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)C(F)(F)F ZINC001473486664 1073985497 /nfs/dbraw/zinc/98/54/97/1073985497.db2.gz MKUHUPBQPSOAKS-GXTWGEPZSA-N 1 1 382.329 3.723 20 5 GHBDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473574781 1074023978 /nfs/dbraw/zinc/02/39/78/1074023978.db2.gz ZIVYHEKZJXQEPQ-HXUWFJFHSA-N 1 1 379.460 3.957 20 5 GHBDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473610627 1074047001 /nfs/dbraw/zinc/04/70/01/1074047001.db2.gz HOLNWHZSCFMGSQ-CQSZACIVSA-N 1 1 379.413 3.589 20 5 GHBDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473610627 1074047005 /nfs/dbraw/zinc/04/70/05/1074047005.db2.gz HOLNWHZSCFMGSQ-CQSZACIVSA-N 1 1 379.413 3.589 20 5 GHBDMO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2[nH]c(=O)oc2c1 ZINC001473685405 1074085999 /nfs/dbraw/zinc/08/59/99/1074085999.db2.gz VLCAKBPXXIRSEX-NSHDSACASA-N 1 1 380.360 3.947 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)[nH]n1 ZINC001473772643 1074134548 /nfs/dbraw/zinc/13/45/48/1074134548.db2.gz KKCRIFJPEVFMKM-CQSZACIVSA-N 1 1 396.451 3.871 20 5 GHBDMO 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/nfs/dbraw/zinc/08/03/87/844080387.db2.gz WSIINQJBMCRARI-UHFFFAOYSA-N 1 1 394.460 3.798 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614236031 835908859 /nfs/dbraw/zinc/90/88/59/835908859.db2.gz XDLVCOSHQGPXKP-INIZCTEOSA-N 1 1 380.448 3.865 20 5 GHBDMO COc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000188478745 835920279 /nfs/dbraw/zinc/92/02/79/835920279.db2.gz BOBFJVWQIORGLX-SFHVURJKSA-N 1 1 397.475 3.506 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000549688684 844122017 /nfs/dbraw/zinc/12/20/17/844122017.db2.gz UGINWWUHMPKYDJ-UHFFFAOYSA-N 1 1 387.402 3.806 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@]1(c2ccccc2)CCCCC1=O ZINC000411599703 836229391 /nfs/dbraw/zinc/22/93/91/836229391.db2.gz CIMDEVRKUHFLGC-QFIPXVFZSA-N 1 1 395.459 3.894 20 5 GHBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000582260192 836257402 /nfs/dbraw/zinc/25/74/02/836257402.db2.gz RSAUAHHYQHTWQA-INIZCTEOSA-N 1 1 388.493 3.665 20 5 GHBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610763251 844146007 /nfs/dbraw/zinc/14/60/07/844146007.db2.gz PAYRVKDIERXKLH-INIZCTEOSA-N 1 1 378.469 3.808 20 5 GHBDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000175371840 836301631 /nfs/dbraw/zinc/30/16/31/836301631.db2.gz VFEHOAVMZVKUDK-HAWMADMCSA-N 1 1 376.478 3.794 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247008221 836551454 /nfs/dbraw/zinc/55/14/54/836551454.db2.gz PMMVWZOITPNPKW-IRXDYDNUSA-N 1 1 399.495 3.731 20 5 GHBDMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cc([N+](=O)[O-])ccc3OC)ccc2NC1=O ZINC000180002415 836569286 /nfs/dbraw/zinc/56/92/86/836569286.db2.gz FYEVLXCQURFABX-SJCJKPOMSA-N 1 1 385.420 3.564 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000175634599 836933915 /nfs/dbraw/zinc/93/39/15/836933915.db2.gz GXZHRSBPVSEOAX-YLJYHZDGSA-N 1 1 396.491 3.789 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(OCC4CCCC4)CC3)n2)c1 ZINC000177482826 837963192 /nfs/dbraw/zinc/96/31/92/837963192.db2.gz MHTWPOPWCBPHQM-UHFFFAOYSA-N 1 1 386.452 3.816 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(OCC4CCCC4)CC3)n2)cc1 ZINC000177499678 837965192 /nfs/dbraw/zinc/96/51/92/837965192.db2.gz WQKFTPRSEALAHZ-UHFFFAOYSA-N 1 1 386.452 3.816 20 5 GHBDMO C[C@@H](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000471470740 838332334 /nfs/dbraw/zinc/33/23/34/838332334.db2.gz KLHHXTOLJHDYOM-KRWDZBQOSA-N 1 1 383.492 3.899 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000452319031 838746773 /nfs/dbraw/zinc/74/67/73/838746773.db2.gz DEPXNAMCEJEXKS-GFCCVEGCSA-N 1 1 385.386 3.560 20 5 GHBDMO COCCO[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000549409467 838754488 /nfs/dbraw/zinc/75/44/88/838754488.db2.gz HQYKZNRYQGGWOZ-HNNXBMFYSA-N 1 1 376.478 3.951 20 5 GHBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc2c(c1)OCO2 ZINC000104663028 838835133 /nfs/dbraw/zinc/83/51/33/838835133.db2.gz ADKNNEQFCPJBGL-UHFFFAOYSA-N 1 1 381.388 3.653 20 5 GHBDMO Cc1c(CC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000163953863 838843838 /nfs/dbraw/zinc/84/38/38/838843838.db2.gz YAJFQMLPQXYKSN-MRXNPFEDSA-N 1 1 387.505 3.536 20 5 GHBDMO CCCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000104673410 838850616 /nfs/dbraw/zinc/85/06/16/838850616.db2.gz UAADJEQIBSSHAH-UHFFFAOYSA-N 1 1 377.485 3.510 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)c([N+](=O)[O-])cc1OC ZINC000415035715 839086752 /nfs/dbraw/zinc/08/67/52/839086752.db2.gz MKLDXEGLHKGDGP-OAHLLOKOSA-N 1 1 387.436 3.586 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000549168946 839139284 /nfs/dbraw/zinc/13/92/84/839139284.db2.gz OVCKKOUHRCBOEK-UNMCSNQZSA-N 1 1 384.476 3.524 20 5 GHBDMO COc1cc(C[NH2+]Cc2cnn(C)c2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000156589179 844528364 /nfs/dbraw/zinc/52/83/64/844528364.db2.gz CRUJKQVLRBRFGF-UHFFFAOYSA-N 1 1 396.447 3.514 20 5 GHBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000050629067 840543738 /nfs/dbraw/zinc/54/37/38/840543738.db2.gz YYXXOIHDENSMNK-UHFFFAOYSA-N 1 1 388.493 3.665 20 5 GHBDMO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610476390 840660792 /nfs/dbraw/zinc/66/07/92/840660792.db2.gz JLGVHFNHEQANOD-HXUWFJFHSA-N 1 1 377.460 3.737 20 5 GHBDMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000276030916 840768929 /nfs/dbraw/zinc/76/89/29/840768929.db2.gz RIDASDRJBWZOQJ-SGWGQVFISA-N 1 1 394.475 3.516 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000156843411 840793877 /nfs/dbraw/zinc/79/38/77/840793877.db2.gz FPYIETJWANXNLX-MRXNPFEDSA-N 1 1 394.475 3.580 20 5 GHBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473513152 844617419 /nfs/dbraw/zinc/61/74/19/844617419.db2.gz CEIBHGBOJJGNKQ-QFIPXVFZSA-N 1 1 397.450 3.862 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000120623655 844622575 /nfs/dbraw/zinc/62/25/75/844622575.db2.gz RVGSOPSHEFOTKJ-QGZVFWFLSA-N 1 1 388.512 3.781 20 5 GHBDMO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500002620 841252069 /nfs/dbraw/zinc/25/20/69/841252069.db2.gz MKNMUOMJPYFZJD-YLJYHZDGSA-N 1 1 397.475 3.658 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885355 841739269 /nfs/dbraw/zinc/73/92/69/841739269.db2.gz RONIKLZCGQAJEH-INIZCTEOSA-N 1 1 385.464 3.803 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603824938 861235487 /nfs/dbraw/zinc/23/54/87/861235487.db2.gz BZWVLOSDGUYUTB-OAHLLOKOSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603824938 861235500 /nfs/dbraw/zinc/23/55/00/861235500.db2.gz BZWVLOSDGUYUTB-OAHLLOKOSA-N 1 1 385.247 3.773 20 5 GHBDMO CC(=O)c1ccc(Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c([N+](=O)[O-])c1 ZINC000302190889 861236146 /nfs/dbraw/zinc/23/61/46/861236146.db2.gz VPAVJMXQHHAQDC-UHFFFAOYSA-N 1 1 383.448 3.670 20 5 GHBDMO CCOc1cc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000581699576 842054162 /nfs/dbraw/zinc/05/41/62/842054162.db2.gz NLTUYTHSWMRAGT-RTBURBONSA-N 1 1 381.476 3.952 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000111419978 842055480 /nfs/dbraw/zinc/05/54/80/842055480.db2.gz CHDMYRRPRPVQMY-CTXDPNEZSA-N 1 1 380.448 3.912 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000599513007 861269357 /nfs/dbraw/zinc/26/93/57/861269357.db2.gz PIRZQRJERVGEDZ-AOOOYVTPSA-N 1 1 380.338 3.928 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000599513007 861269362 /nfs/dbraw/zinc/26/93/62/861269362.db2.gz PIRZQRJERVGEDZ-AOOOYVTPSA-N 1 1 380.338 3.928 20 5 GHBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000054012428 842119417 /nfs/dbraw/zinc/11/94/17/842119417.db2.gz JYOSGSGEISUYST-UHFFFAOYSA-N 1 1 388.855 3.642 20 5 GHBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000585756458 842266970 /nfs/dbraw/zinc/26/69/70/842266970.db2.gz DCRFAAAMESZHAF-LBPRGKRZSA-N 1 1 382.869 3.893 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000112659306 842358727 /nfs/dbraw/zinc/35/87/27/842358727.db2.gz KWLHGEQEUFFKLW-OAQYLSRUSA-N 1 1 399.491 3.751 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](OCCCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000175951587 842448075 /nfs/dbraw/zinc/44/80/75/842448075.db2.gz WZDBLBSEGFLLLX-IBGZPJMESA-N 1 1 397.475 3.647 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000600230526 861317146 /nfs/dbraw/zinc/31/71/46/861317146.db2.gz TUQPPOWJXPBNSE-SFHVURJKSA-N 1 1 394.475 3.794 20 5 GHBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000471808322 842634439 /nfs/dbraw/zinc/63/44/39/842634439.db2.gz DTPJTHZIFPJWDY-CMPLNLGQSA-N 1 1 381.226 3.572 20 5 GHBDMO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)ccc1[N+](=O)[O-] ZINC000467035470 842765526 /nfs/dbraw/zinc/76/55/26/842765526.db2.gz HLLXHWXEEFRJKY-UHFFFAOYSA-N 1 1 392.253 3.980 20 5 GHBDMO CC(C)Oc1cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600228760 861350053 /nfs/dbraw/zinc/35/00/53/861350053.db2.gz FMLYMDKRSOVCRT-QGZVFWFLSA-N 1 1 375.469 3.519 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccncc21 ZINC000302770092 861355585 /nfs/dbraw/zinc/35/55/85/861355585.db2.gz BTILPXJOHREBIH-SFHVURJKSA-N 1 1 392.459 3.846 20 5 GHBDMO CC(C)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000481437951 861362920 /nfs/dbraw/zinc/36/29/20/861362920.db2.gz QAUWABSRGCJZLC-FPOVZHCZSA-N 1 1 399.491 3.765 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)ccc2c1 ZINC000302889808 861398649 /nfs/dbraw/zinc/39/86/49/861398649.db2.gz PBYUTVRUSOROKE-HXUWFJFHSA-N 1 1 392.459 3.712 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](CC(N)=O)c1ccccc1 ZINC000549615639 843667630 /nfs/dbraw/zinc/66/76/30/843667630.db2.gz WRNPBYRCMXBDJC-INIZCTEOSA-N 1 1 381.354 3.662 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1F ZINC000599678270 861475694 /nfs/dbraw/zinc/47/56/94/861475694.db2.gz KPBDAVCBUMBDDV-AWEZNQCLSA-N 1 1 388.395 3.599 20 5 GHBDMO COc1ccc([C@H]2CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1F ZINC000599678157 861476039 /nfs/dbraw/zinc/47/60/39/861476039.db2.gz JDKDBCAHNFFXLQ-HNNXBMFYSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1F ZINC000599678157 861476043 /nfs/dbraw/zinc/47/60/43/861476043.db2.gz JDKDBCAHNFFXLQ-HNNXBMFYSA-N 1 1 398.394 3.782 20 5 GHBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000610831086 844644820 /nfs/dbraw/zinc/64/48/20/844644820.db2.gz ZDDYCGRFMGGTGB-OAHLLOKOSA-N 1 1 397.353 3.529 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 ZINC000600300115 861501537 /nfs/dbraw/zinc/50/15/37/861501537.db2.gz XXWPUEYJFLXLIQ-GOSISDBHSA-N 1 1 397.475 3.533 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 ZINC000600300115 861501544 /nfs/dbraw/zinc/50/15/44/861501544.db2.gz XXWPUEYJFLXLIQ-GOSISDBHSA-N 1 1 397.475 3.533 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000513248917 845119094 /nfs/dbraw/zinc/11/90/94/845119094.db2.gz KGAFFOAQSUHACO-LPHOPBHVSA-N 1 1 399.516 3.856 20 5 GHBDMO C/C(=C\C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785099944 845229010 /nfs/dbraw/zinc/22/90/10/845229010.db2.gz ZNAIZHZBPWUKAG-FBMGVBCBSA-N 1 1 379.460 3.733 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000513413468 845405908 /nfs/dbraw/zinc/40/59/08/845405908.db2.gz JTGFPRYFCKCUSW-MRXNPFEDSA-N 1 1 388.374 3.993 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000513413468 845405913 /nfs/dbraw/zinc/40/59/13/845405913.db2.gz JTGFPRYFCKCUSW-MRXNPFEDSA-N 1 1 388.374 3.993 20 5 GHBDMO CCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000513483528 845503846 /nfs/dbraw/zinc/50/38/46/845503846.db2.gz DVWURBRIAKODFA-TZIWHRDSSA-N 1 1 384.476 3.604 20 5 GHBDMO COc1ccc(C[NH2+]Cc2nccs2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513613708 845726201 /nfs/dbraw/zinc/72/62/01/845726201.db2.gz RYYHIPRHYCXCQS-UHFFFAOYSA-N 1 1 385.445 3.929 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421765831 846569440 /nfs/dbraw/zinc/56/94/40/846569440.db2.gz ANKPEHVPPWHMFR-IBGZPJMESA-N 1 1 396.491 3.733 20 5 GHBDMO Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000502990151 846680662 /nfs/dbraw/zinc/68/06/62/846680662.db2.gz LMLYDGZZTJGDPS-UHFFFAOYSA-N 1 1 375.182 3.566 20 5 GHBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000548732313 846921140 /nfs/dbraw/zinc/92/11/40/846921140.db2.gz VQIHWAYZTWGXTG-LJQANCHMSA-N 1 1 377.488 3.532 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000303503784 861753225 /nfs/dbraw/zinc/75/32/25/861753225.db2.gz ZFECKVMGWZPXFO-XHSDSOJGSA-N 1 1 376.501 3.511 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833913 861763225 /nfs/dbraw/zinc/76/32/25/861763225.db2.gz DBVRWHGFZPREQN-OAHLLOKOSA-N 1 1 383.452 3.672 20 5 GHBDMO CCOC[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000176324089 847314591 /nfs/dbraw/zinc/31/45/91/847314591.db2.gz GERPGAHEDJTIRG-UTKZUKDTSA-N 1 1 397.475 3.941 20 5 GHBDMO CCOC[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000176324089 847314594 /nfs/dbraw/zinc/31/45/94/847314594.db2.gz GERPGAHEDJTIRG-UTKZUKDTSA-N 1 1 397.475 3.941 20 5 GHBDMO 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COc1ccc([N+](=O)[O-])c(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000518350221 853229881 /nfs/dbraw/zinc/22/98/81/853229881.db2.gz JCAMRJYRFWEQNU-IYBDPMFKSA-N 1 1 385.464 3.825 20 5 GHBDMO CC[N@@H+](CCOC)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506478655 853257460 /nfs/dbraw/zinc/25/74/60/853257460.db2.gz TZXRMSBKMGSFEV-UHFFFAOYSA-N 1 1 380.448 3.916 20 5 GHBDMO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490808659 853284058 /nfs/dbraw/zinc/28/40/58/853284058.db2.gz CPMIQSQVFXJCIT-NVXWUHKLSA-N 1 1 392.459 3.717 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@](C)(O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000129580267 853794771 /nfs/dbraw/zinc/79/47/71/853794771.db2.gz WWNWGKJYDAEQKP-NRFANRHFSA-N 1 1 386.448 3.529 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000018935254 853983479 /nfs/dbraw/zinc/98/34/79/853983479.db2.gz BQOSTGQDHPZGGZ-LJQANCHMSA-N 1 1 383.448 3.941 20 5 GHBDMO CC[N@@H+](CCC1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1)CC1CC1 ZINC000588011381 854076168 /nfs/dbraw/zinc/07/61/68/854076168.db2.gz DPKNJUKWOBURPZ-UHFFFAOYSA-N 1 1 399.495 3.582 20 5 GHBDMO CC[C@H](CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000843766083 854250776 /nfs/dbraw/zinc/25/07/76/854250776.db2.gz XRTFYFRIOMHURC-QGZVFWFLSA-N 1 1 385.439 3.609 20 5 GHBDMO C[C@@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC000588854747 854552463 /nfs/dbraw/zinc/55/24/63/854552463.db2.gz LLJJFSQILRRYHC-RHSMWYFYSA-N 1 1 380.448 3.554 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c1 ZINC000589515859 854973200 /nfs/dbraw/zinc/97/32/00/854973200.db2.gz OWRKBZURTKCLCX-FNXXIHLHSA-N 1 1 388.464 3.551 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c1 ZINC000589515859 854973205 /nfs/dbraw/zinc/97/32/05/854973205.db2.gz OWRKBZURTKCLCX-FNXXIHLHSA-N 1 1 388.464 3.551 20 5 GHBDMO CC[N@@H+](CCCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C1CCCCC1 ZINC001212400419 855046263 /nfs/dbraw/zinc/04/62/63/855046263.db2.gz VVDMYNHOJKDPEZ-UHFFFAOYSA-N 1 1 397.541 3.535 20 5 GHBDMO COc1cccc([C@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC[N@H+]2C2CC2)c1 ZINC000482048387 862639821 /nfs/dbraw/zinc/63/98/21/862639821.db2.gz YJYZRRSLBFFCQE-CTNGQTDRSA-N 1 1 395.459 3.620 20 5 GHBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590447655 855424525 /nfs/dbraw/zinc/42/45/25/855424525.db2.gz ZKXMXNNQRFLLAA-PBHICJAKSA-N 1 1 383.473 3.522 20 5 GHBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@@H]2C1 ZINC000590447109 855424616 /nfs/dbraw/zinc/42/46/16/855424616.db2.gz YHZHURSNVARJPO-HNAYVOBHSA-N 1 1 383.473 3.522 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590600772 855505387 /nfs/dbraw/zinc/50/53/87/855505387.db2.gz MNLWRRUDJPLVRR-ZBFHGGJFSA-N 1 1 379.420 3.980 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133795296 862704557 /nfs/dbraw/zinc/70/45/57/862704557.db2.gz DCDNOUHMJSKZRY-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427604018 855784804 /nfs/dbraw/zinc/78/48/04/855784804.db2.gz MXJGUEKBUASJSO-HXUWFJFHSA-N 1 1 393.487 3.998 20 5 GHBDMO COc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000058948518 862721028 /nfs/dbraw/zinc/72/10/28/862721028.db2.gz DZAPPCMWIXDJQT-INIZCTEOSA-N 1 1 397.475 3.765 20 5 GHBDMO C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542866746 856218138 /nfs/dbraw/zinc/21/81/38/856218138.db2.gz HHCNQNYEGXERKJ-JSGCOSHPSA-N 1 1 397.422 3.579 20 5 GHBDMO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000171804118 856270836 /nfs/dbraw/zinc/27/08/36/856270836.db2.gz LTEVQLZJXUUNGC-UHFFFAOYSA-N 1 1 399.495 3.575 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000499439650 856331218 /nfs/dbraw/zinc/33/12/18/856331218.db2.gz XFBVQKPNXWZLID-ZWKOTPCHSA-N 1 1 381.476 3.649 20 5 GHBDMO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845277 856342757 /nfs/dbraw/zinc/34/27/57/856342757.db2.gz AWIRTFJWDCBDMW-AWEZNQCLSA-N 1 1 379.258 3.600 20 5 GHBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845277 856342766 /nfs/dbraw/zinc/34/27/66/856342766.db2.gz AWIRTFJWDCBDMW-AWEZNQCLSA-N 1 1 379.258 3.600 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)NCC[N@H+](C)C3CC3)cc2[N+](=O)[O-])cc1 ZINC000520757186 856361655 /nfs/dbraw/zinc/36/16/55/856361655.db2.gz IQVIWTVVLCPXAE-UHFFFAOYSA-N 1 1 385.489 3.878 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058350171 856664917 /nfs/dbraw/zinc/66/49/17/856664917.db2.gz CUHKQSCRYRWCIZ-UHFFFAOYSA-N 1 1 380.448 3.846 20 5 GHBDMO Cc1nccn1CCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132576 856676461 /nfs/dbraw/zinc/67/64/61/856676461.db2.gz KJPNQUHKTBDVQD-MXVIHJGJSA-N 1 1 386.496 3.686 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139490 856688761 /nfs/dbraw/zinc/68/87/61/856688761.db2.gz GSGBWZHRKUYLMC-NRFANRHFSA-N 1 1 397.475 3.505 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001128807984 856736818 /nfs/dbraw/zinc/73/68/18/856736818.db2.gz FNXHKXBPTXNHSM-QHCPKHFHSA-N 1 1 393.487 3.950 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(COC)CC2)cc1OC ZINC000542918295 856810983 /nfs/dbraw/zinc/81/09/83/856810983.db2.gz XPLACOQBELSDQJ-HNNXBMFYSA-N 1 1 380.485 3.887 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441819706 856829086 /nfs/dbraw/zinc/82/90/86/856829086.db2.gz KZOOHQUSQUXQOJ-CQSZACIVSA-N 1 1 383.473 3.713 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000245455035 856874648 /nfs/dbraw/zinc/87/46/48/856874648.db2.gz SHZAHEVDKCLEPJ-YWZLYKJASA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000245455035 856874654 /nfs/dbraw/zinc/87/46/54/856874654.db2.gz SHZAHEVDKCLEPJ-YWZLYKJASA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000173457331 856940423 /nfs/dbraw/zinc/94/04/23/856940423.db2.gz YTAFNJLVXAYCSA-UHFFFAOYSA-N 1 1 381.476 3.887 20 5 GHBDMO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000245601129 856991945 /nfs/dbraw/zinc/99/19/45/856991945.db2.gz OWCOEXHCFJFZLP-KPOBHBOGSA-N 1 1 389.883 3.971 20 5 GHBDMO CC(C)N(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592693952 857026951 /nfs/dbraw/zinc/02/69/51/857026951.db2.gz DQKUERLFLYSIAD-NRFANRHFSA-N 1 1 381.476 3.649 20 5 GHBDMO Cc1ccc([C@H](C)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000245658412 857057499 /nfs/dbraw/zinc/05/74/99/857057499.db2.gz GDXFCUXSXOIZEE-KXBFYZLASA-N 1 1 382.464 3.526 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000173757695 857133611 /nfs/dbraw/zinc/13/36/11/857133611.db2.gz OGMNBPMWBVGHJJ-UHFFFAOYSA-N 1 1 395.381 3.995 20 5 GHBDMO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@H+]1CCCC[C@@H]1C ZINC000485896120 857184665 /nfs/dbraw/zinc/18/46/65/857184665.db2.gz VEEQTQUJVYHTDE-ZWKOTPCHSA-N 1 1 391.515 3.534 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(c3ccccc3Cl)CCC2)cc1 ZINC000593039649 857193745 /nfs/dbraw/zinc/19/37/45/857193745.db2.gz NNJVGBGEPDUUCC-UHFFFAOYSA-N 1 1 394.880 3.691 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000593068010 857194881 /nfs/dbraw/zinc/19/48/81/857194881.db2.gz CDETXAXQGKIJSQ-OXJNMPFZSA-N 1 1 399.466 3.788 20 5 GHBDMO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000593046070 857198587 /nfs/dbraw/zinc/19/85/87/857198587.db2.gz MNMMRYRHULHEKI-HXUWFJFHSA-N 1 1 382.395 3.948 20 5 GHBDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000593046070 857198590 /nfs/dbraw/zinc/19/85/90/857198590.db2.gz MNMMRYRHULHEKI-HXUWFJFHSA-N 1 1 382.395 3.948 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000508371984 857224522 /nfs/dbraw/zinc/22/45/22/857224522.db2.gz QMDVIQAGTSBVQU-CVEARBPZSA-N 1 1 382.464 3.684 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000508371988 857224746 /nfs/dbraw/zinc/22/47/46/857224746.db2.gz QMDVIQAGTSBVQU-HOTGVXAUSA-N 1 1 382.464 3.684 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000120991004 857254745 /nfs/dbraw/zinc/25/47/45/857254745.db2.gz PJIWRRRGHKMMCU-KRWDZBQOSA-N 1 1 397.475 3.558 20 5 GHBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000174394263 857284391 /nfs/dbraw/zinc/28/43/91/857284391.db2.gz GDNGNLNYRBXHPB-UHFFFAOYSA-N 1 1 384.480 3.607 20 5 GHBDMO CCc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301724695 857405206 /nfs/dbraw/zinc/40/52/06/857405206.db2.gz PABPIVWFSQWPDA-VQIMIIECSA-N 1 1 381.480 3.535 20 5 GHBDMO COc1ccccc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000058890161 857725848 /nfs/dbraw/zinc/72/58/48/857725848.db2.gz OVODKMQSFUHFPQ-UHFFFAOYSA-N 1 1 395.381 3.944 20 5 GHBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000521203389 857729288 /nfs/dbraw/zinc/72/92/88/857729288.db2.gz AMUKTONXLBRDCB-UHFFFAOYSA-N 1 1 385.489 3.914 20 5 GHBDMO Cc1c(CC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000438920117 857730246 /nfs/dbraw/zinc/73/02/46/857730246.db2.gz PCCUTXBHMLTBSM-UHFFFAOYSA-N 1 1 395.503 3.613 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000438952367 857832903 /nfs/dbraw/zinc/83/29/03/857832903.db2.gz XOVPPRYMSDCTNL-PBHICJAKSA-N 1 1 387.867 3.807 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000157904802 857886114 /nfs/dbraw/zinc/88/61/14/857886114.db2.gz QRJXALFZUDIXNT-MRXNPFEDSA-N 1 1 383.448 3.730 20 5 GHBDMO CCCc1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000078775056 858224224 /nfs/dbraw/zinc/22/42/24/858224224.db2.gz FNNZHXSGRQVAQJ-HNNXBMFYSA-N 1 1 399.495 3.575 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000255831160 858275361 /nfs/dbraw/zinc/27/53/61/858275361.db2.gz GNNAINKIQVWLST-QAPCUYQASA-N 1 1 399.472 3.781 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000255831160 858275367 /nfs/dbraw/zinc/27/53/67/858275367.db2.gz GNNAINKIQVWLST-QAPCUYQASA-N 1 1 399.472 3.781 20 5 GHBDMO Cc1cc(Br)c(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000594978854 858337843 /nfs/dbraw/zinc/33/78/43/858337843.db2.gz XSUFEDHZCFKRKJ-UHFFFAOYSA-N 1 1 399.266 3.788 20 5 GHBDMO COc1ncc(Br)cc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000595509581 858548917 /nfs/dbraw/zinc/54/89/17/858548917.db2.gz IQUQJVQGFIVSPE-UHFFFAOYSA-N 1 1 380.242 3.786 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCCC[C@H]12 ZINC000595733516 858669421 /nfs/dbraw/zinc/66/94/21/858669421.db2.gz RFJKCKWTPIOFBN-GUDVDZBRSA-N 1 1 399.447 3.804 20 5 GHBDMO Cc1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001127726489 858805066 /nfs/dbraw/zinc/80/50/66/858805066.db2.gz ASODOXFIKSGQSD-OKILXGFUSA-N 1 1 382.464 3.763 20 5 GHBDMO Cc1cc(N2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1[N+](=O)[O-] ZINC000856536127 881347122 /nfs/dbraw/zinc/34/71/22/881347122.db2.gz ONNWXQPNVLOBAL-HXUWFJFHSA-N 1 1 384.480 3.796 20 5 GHBDMO C[N@@H+](CCc1cccc2ccccc21)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543206169 858879604 /nfs/dbraw/zinc/87/96/04/858879604.db2.gz OBWAOEXMAJYUGO-LJQANCHMSA-N 1 1 380.444 3.662 20 5 GHBDMO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000543206687 858883968 /nfs/dbraw/zinc/88/39/68/858883968.db2.gz ZRYWJJALBIJCHS-IRXDYDNUSA-N 1 1 388.489 3.555 20 5 GHBDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000543206687 858883976 /nfs/dbraw/zinc/88/39/76/858883976.db2.gz ZRYWJJALBIJCHS-IRXDYDNUSA-N 1 1 388.489 3.555 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301912692 858913783 /nfs/dbraw/zinc/91/37/83/858913783.db2.gz HCWMJCVRYCJDSN-IYBDPMFKSA-N 1 1 394.479 3.728 20 5 GHBDMO Cc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)cc1[N+](=O)[O-] ZINC000596613878 858969095 /nfs/dbraw/zinc/96/90/95/858969095.db2.gz MZZCHUGHDCSEIF-BEFAXECRSA-N 1 1 394.431 3.915 20 5 GHBDMO Cc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)cc1[N+](=O)[O-] ZINC000596613878 858969098 /nfs/dbraw/zinc/96/90/98/858969098.db2.gz MZZCHUGHDCSEIF-BEFAXECRSA-N 1 1 394.431 3.915 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000550525508 858996043 /nfs/dbraw/zinc/99/60/43/858996043.db2.gz GPRCTRLFDPQAIP-CQSZACIVSA-N 1 1 393.285 3.688 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000550525508 858996054 /nfs/dbraw/zinc/99/60/54/858996054.db2.gz GPRCTRLFDPQAIP-CQSZACIVSA-N 1 1 393.285 3.688 20 5 GHBDMO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(O)c1 ZINC000429316705 859002803 /nfs/dbraw/zinc/00/28/03/859002803.db2.gz ZVQPUWUGZGUKSA-GFCCVEGCSA-N 1 1 398.444 3.713 20 5 GHBDMO O=C(CCCC[NH+]1CCOCC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000530475647 859101208 /nfs/dbraw/zinc/10/12/08/859101208.db2.gz YIVFJGIRKNWYFZ-UHFFFAOYSA-N 1 1 399.447 3.828 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4cccnc34)c2)CCO1 ZINC000301934146 859179297 /nfs/dbraw/zinc/17/92/97/859179297.db2.gz RLJYJVQOZXUNGP-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4cccnc34)c2)CCO1 ZINC000301934146 859179300 /nfs/dbraw/zinc/17/93/00/859179300.db2.gz RLJYJVQOZXUNGP-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO CCc1nn(C)c(NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301942933 859212166 /nfs/dbraw/zinc/21/21/66/859212166.db2.gz XSUIIINLOCCQSV-BLLLJJGKSA-N 1 1 395.866 3.788 20 5 GHBDMO CCc1nn(C)c(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301942933 859212177 /nfs/dbraw/zinc/21/21/77/859212177.db2.gz XSUIIINLOCCQSV-BLLLJJGKSA-N 1 1 395.866 3.788 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3c(F)cccc3[N+](=O)[O-])C2)s1 ZINC000601558400 859333083 /nfs/dbraw/zinc/33/30/83/859333083.db2.gz KUQLPKLDWNYTAQ-AWEZNQCLSA-N 1 1 391.468 3.698 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597212304 859350258 /nfs/dbraw/zinc/35/02/58/859350258.db2.gz TZCJVKWJEOMLNB-AVRDEDQJSA-N 1 1 398.459 3.651 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)s1 ZINC000597253135 859399105 /nfs/dbraw/zinc/39/91/05/859399105.db2.gz KGOVNURPWNXRQX-AWEZNQCLSA-N 1 1 375.450 3.526 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000474228790 859649609 /nfs/dbraw/zinc/64/96/09/859649609.db2.gz UOPMOZNUPTUCBL-MRXNPFEDSA-N 1 1 387.436 3.598 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000474228790 859649614 /nfs/dbraw/zinc/64/96/14/859649614.db2.gz UOPMOZNUPTUCBL-MRXNPFEDSA-N 1 1 387.436 3.598 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1)C1CC1 ZINC000522421927 859657188 /nfs/dbraw/zinc/65/71/88/859657188.db2.gz NFSQOJCJYTXOMF-UHFFFAOYSA-N 1 1 399.447 3.610 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000474234816 859671950 /nfs/dbraw/zinc/67/19/50/859671950.db2.gz TVOZGLZXRPDBJM-IBGZPJMESA-N 1 1 383.448 3.996 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000474234816 859671954 /nfs/dbraw/zinc/67/19/54/859671954.db2.gz TVOZGLZXRPDBJM-IBGZPJMESA-N 1 1 383.448 3.996 20 5 GHBDMO CC(C)(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000474285215 859774567 /nfs/dbraw/zinc/77/45/67/859774567.db2.gz QWJYOZVYJAXJFF-UHFFFAOYSA-N 1 1 385.420 3.563 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000611477424 859775443 /nfs/dbraw/zinc/77/54/43/859775443.db2.gz IOFFCBPVKKCERH-GJZGRUSLSA-N 1 1 377.510 3.844 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000611478134 859776424 /nfs/dbraw/zinc/77/64/24/859776424.db2.gz PBOIPXSTXBMAAW-OAHLLOKOSA-N 1 1 377.510 3.701 20 5 GHBDMO COc1ccc(C[C@H](C)[NH+]2CCN(c3ccc(F)cc3F)CC2)c([N+](=O)[O-])c1 ZINC001170346645 881469209 /nfs/dbraw/zinc/46/92/09/881469209.db2.gz PAWQRJYEMXLIIN-AWEZNQCLSA-N 1 1 391.418 3.635 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000466529865 859880518 /nfs/dbraw/zinc/88/05/18/859880518.db2.gz PEHXGBPJHSUTRX-APWZRJJASA-N 1 1 396.491 3.792 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 ZINC000154050835 859976132 /nfs/dbraw/zinc/97/61/32/859976132.db2.gz JVMPVQBHHKEDOU-NSHDSACASA-N 1 1 386.358 3.858 20 5 GHBDMO CC(C)Oc1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602515746 860068297 /nfs/dbraw/zinc/06/82/97/860068297.db2.gz DCITZFYAQVYARS-UHFFFAOYSA-N 1 1 386.271 3.891 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092757628 860121675 /nfs/dbraw/zinc/12/16/75/860121675.db2.gz WEIXIXHXUJXISZ-LJQANCHMSA-N 1 1 377.448 3.682 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218480 860164455 /nfs/dbraw/zinc/16/44/55/860164455.db2.gz GDFXAYMNKBYDRT-AWEZNQCLSA-N 1 1 377.510 3.844 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000602713908 860226881 /nfs/dbraw/zinc/22/68/81/860226881.db2.gz GMPCGCQIJLYZLH-MRXNPFEDSA-N 1 1 381.354 3.800 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000602713908 860226888 /nfs/dbraw/zinc/22/68/88/860226888.db2.gz GMPCGCQIJLYZLH-MRXNPFEDSA-N 1 1 381.354 3.800 20 5 GHBDMO COc1cc(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])cc1OC ZINC000093365019 860257788 /nfs/dbraw/zinc/25/77/88/860257788.db2.gz NRAIXXPEVMKGOL-AWEZNQCLSA-N 1 1 377.466 3.886 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])cc1OC ZINC000093365019 860257793 /nfs/dbraw/zinc/25/77/93/860257793.db2.gz NRAIXXPEVMKGOL-AWEZNQCLSA-N 1 1 377.466 3.886 20 5 GHBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000598397994 860280325 /nfs/dbraw/zinc/28/03/25/860280325.db2.gz YMMQTRWNPGVSGC-LJQANCHMSA-N 1 1 379.460 3.627 20 5 GHBDMO COc1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000093769316 860344968 /nfs/dbraw/zinc/34/49/68/860344968.db2.gz ISHZOUYFVUKPLY-UHFFFAOYSA-N 1 1 391.512 3.700 20 5 GHBDMO Cc1c(CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000124660204 860457055 /nfs/dbraw/zinc/45/70/55/860457055.db2.gz FVDCCKMAQNXXOF-UTKZUKDTSA-N 1 1 395.503 3.957 20 5 GHBDMO C[N@H+](Cc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000061021101 860551016 /nfs/dbraw/zinc/55/10/16/860551016.db2.gz GDUFUDKZDBNRPN-FQEVSTJZSA-N 1 1 389.411 3.512 20 5 GHBDMO C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000061021101 860551028 /nfs/dbraw/zinc/55/10/28/860551028.db2.gz GDUFUDKZDBNRPN-FQEVSTJZSA-N 1 1 389.411 3.512 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001168734583 860574553 /nfs/dbraw/zinc/57/45/53/860574553.db2.gz YOGONWPTOSSWOM-ZIAGYGMSSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001168734583 860574564 /nfs/dbraw/zinc/57/45/64/860574564.db2.gz YOGONWPTOSSWOM-ZIAGYGMSSA-N 1 1 383.286 3.996 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000599014696 860739583 /nfs/dbraw/zinc/73/95/83/860739583.db2.gz UNLIMKQNHGXUPY-UHFFFAOYSA-N 1 1 398.301 3.742 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185573945 860745643 /nfs/dbraw/zinc/74/56/43/860745643.db2.gz VGDXDCOWGOPNNG-QXAKKESOSA-N 1 1 387.524 3.933 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157471292 861167375 /nfs/dbraw/zinc/16/73/75/861167375.db2.gz DWGNXYZKPNQDHP-INIZCTEOSA-N 1 1 389.496 3.720 20 5 GHBDMO CC[C@H](C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000121242434 863808004 /nfs/dbraw/zinc/80/80/04/863808004.db2.gz XVUBSLPSTSAKNB-HNNXBMFYSA-N 1 1 396.447 3.511 20 5 GHBDMO CC[C@H](C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000121242434 863808013 /nfs/dbraw/zinc/80/80/13/863808013.db2.gz XVUBSLPSTSAKNB-HNNXBMFYSA-N 1 1 396.447 3.511 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494433375 881713627 /nfs/dbraw/zinc/71/36/27/881713627.db2.gz JJBVNFOMIRBQQM-GOSISDBHSA-N 1 1 386.496 3.533 20 5 GHBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480060212 863965062 /nfs/dbraw/zinc/96/50/62/863965062.db2.gz RWOWDLOITMEITG-HXUWFJFHSA-N 1 1 396.491 3.709 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000843800616 864107921 /nfs/dbraw/zinc/10/79/21/864107921.db2.gz UBYLBJFEYFMJML-HOCLYGCPSA-N 1 1 377.460 3.769 20 5 GHBDMO COc1ccc(CC(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000734300126 864133069 /nfs/dbraw/zinc/13/30/69/864133069.db2.gz TVPUTOVGCWAKTM-IBGZPJMESA-N 1 1 398.459 3.601 20 5 GHBDMO Cc1cn(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000734477964 864263408 /nfs/dbraw/zinc/26/34/08/864263408.db2.gz WNJVXIQDNWELPF-APWZRJJASA-N 1 1 392.459 3.691 20 5 GHBDMO Cc1cn(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000734477964 864263417 /nfs/dbraw/zinc/26/34/17/864263417.db2.gz WNJVXIQDNWELPF-APWZRJJASA-N 1 1 392.459 3.691 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444324425 864313283 /nfs/dbraw/zinc/31/32/83/864313283.db2.gz XHHQEZRZYIMYGN-AWEZNQCLSA-N 1 1 399.441 3.562 20 5 GHBDMO Cc1ccc(C2=CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 ZINC000735305673 864718434 /nfs/dbraw/zinc/71/84/34/864718434.db2.gz BQUGFEBIOUASQK-UHFFFAOYSA-N 1 1 393.443 3.991 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000735491562 864828624 /nfs/dbraw/zinc/82/86/24/864828624.db2.gz MLMNSICMQYFHOC-CQSZACIVSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000735491562 864828641 /nfs/dbraw/zinc/82/86/41/864828641.db2.gz MLMNSICMQYFHOC-CQSZACIVSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000735491561 864829150 /nfs/dbraw/zinc/82/91/50/864829150.db2.gz MLMNSICMQYFHOC-AWEZNQCLSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000735491561 864829168 /nfs/dbraw/zinc/82/91/68/864829168.db2.gz MLMNSICMQYFHOC-AWEZNQCLSA-N 1 1 388.855 3.802 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)C1 ZINC000063541907 864919387 /nfs/dbraw/zinc/91/93/87/864919387.db2.gz DFCFIIGPTVEQMZ-OAHLLOKOSA-N 1 1 385.439 3.896 20 5 GHBDMO COc1ccc([C@@H](NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000554845912 865010321 /nfs/dbraw/zinc/01/03/21/865010321.db2.gz HOVRPJRPICRAGI-QFIPXVFZSA-N 1 1 399.491 3.591 20 5 GHBDMO COc1ccc([C@@H](NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000554845912 865010333 /nfs/dbraw/zinc/01/03/33/865010333.db2.gz HOVRPJRPICRAGI-QFIPXVFZSA-N 1 1 399.491 3.591 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)c2c(c1)COCO2 ZINC000829040904 865381444 /nfs/dbraw/zinc/38/14/44/865381444.db2.gz UDYQXPLTMKYCIQ-AWEZNQCLSA-N 1 1 394.431 3.717 20 5 GHBDMO 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CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000462416594 869399322 /nfs/dbraw/zinc/39/93/22/869399322.db2.gz KGTZLQLNAPIBIC-HKUYNNGSSA-N 1 1 395.503 3.727 20 5 GHBDMO CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539861775 869911161 /nfs/dbraw/zinc/91/11/61/869911161.db2.gz CDTHHHXBECRLDE-HXUWFJFHSA-N 1 1 383.492 3.947 20 5 GHBDMO CC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)[N@H+]1CCc2ccccc2C1 ZINC000446496979 869932997 /nfs/dbraw/zinc/93/29/97/869932997.db2.gz WAGXLRQBRHYHOX-GOSISDBHSA-N 1 1 382.464 3.862 20 5 GHBDMO CNc1c(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462762238 870025377 /nfs/dbraw/zinc/02/53/77/870025377.db2.gz BQPSRMMCLQBPPX-SJLPKXTDSA-N 1 1 396.491 3.667 20 5 GHBDMO CNc1c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cccc1[N+](=O)[O-] ZINC000462763719 870026538 /nfs/dbraw/zinc/02/65/38/870026538.db2.gz DVVALDCJVUHPBG-ZDUSSCGKSA-N 1 1 379.420 3.622 20 5 GHBDMO 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C[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541610574 873946882 /nfs/dbraw/zinc/94/68/82/873946882.db2.gz ORKXZIFRFQWWDU-YQQAZPJKSA-N 1 1 385.439 3.789 20 5 GHBDMO O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000921273891 882795918 /nfs/dbraw/zinc/79/59/18/882795918.db2.gz MJQKEOHMMJAEHI-QGZVFWFLSA-N 1 1 384.505 3.793 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)c2)cc1 ZINC000769781279 874285764 /nfs/dbraw/zinc/28/57/64/874285764.db2.gz IYRYOPVPHXDHQN-NRFANRHFSA-N 1 1 376.416 3.547 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)c2)cc1 ZINC000769781279 874285778 /nfs/dbraw/zinc/28/57/78/874285778.db2.gz IYRYOPVPHXDHQN-NRFANRHFSA-N 1 1 376.416 3.547 20 5 GHBDMO C[C@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449011205 874355841 /nfs/dbraw/zinc/35/58/41/874355841.db2.gz PFUKRLCVEVULRY-OAHLLOKOSA-N 1 1 388.489 3.766 20 5 GHBDMO C[C@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449011205 874355860 /nfs/dbraw/zinc/35/58/60/874355860.db2.gz PFUKRLCVEVULRY-OAHLLOKOSA-N 1 1 388.489 3.766 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)CN1CCOCC1 ZINC000537648879 882835252 /nfs/dbraw/zinc/83/52/52/882835252.db2.gz MNYNBWFJCYGMAJ-UHFFFAOYSA-N 1 1 387.480 3.645 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[N@@H+](CC)CC2)cc1OC ZINC000541985863 874671666 /nfs/dbraw/zinc/67/16/66/874671666.db2.gz SLGASRSXKAMSNZ-MRXNPFEDSA-N 1 1 379.501 3.556 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2CCO)cc1OC ZINC000541985233 874673107 /nfs/dbraw/zinc/67/31/07/874673107.db2.gz XSZICPJCHWRCRP-DOTOQJQBSA-N 1 1 380.485 3.765 20 5 GHBDMO COC(=O)[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(O)cc1 ZINC000449348705 874742552 /nfs/dbraw/zinc/74/25/52/874742552.db2.gz NNDNGMUNRZNSJM-BFHKHHPSSA-N 1 1 396.443 3.592 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000465181998 875259410 /nfs/dbraw/zinc/25/94/10/875259410.db2.gz FGBJHSJJLSHYLX-OAHLLOKOSA-N 1 1 399.447 3.576 20 5 GHBDMO COc1ccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000465188497 875270530 /nfs/dbraw/zinc/27/05/30/875270530.db2.gz SWNCPHMFDUYFRW-HNNXBMFYSA-N 1 1 399.447 3.576 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449731395 875298599 /nfs/dbraw/zinc/29/85/99/875298599.db2.gz IOFRAAIXEISEND-QGZVFWFLSA-N 1 1 388.436 3.924 20 5 GHBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000549865629 875725909 /nfs/dbraw/zinc/72/59/09/875725909.db2.gz PCOYYOANAOUYBT-QFIPXVFZSA-N 1 1 381.476 3.789 20 5 GHBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000549865629 875725917 /nfs/dbraw/zinc/72/59/17/875725917.db2.gz PCOYYOANAOUYBT-QFIPXVFZSA-N 1 1 381.476 3.789 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC000450236049 876134127 /nfs/dbraw/zinc/13/41/27/876134127.db2.gz ZWQCRROCSYICLR-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO COc1cc(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])ccc1C ZINC000492138561 876316468 /nfs/dbraw/zinc/31/64/68/876316468.db2.gz CYDGLKWHUNGKNK-UHFFFAOYSA-N 1 1 396.390 3.854 20 5 GHBDMO CCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786136511 876502026 /nfs/dbraw/zinc/50/20/26/876502026.db2.gz SHTZTIJOZLDWOP-OXJNMPFZSA-N 1 1 385.464 3.676 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000850431875 876915117 /nfs/dbraw/zinc/91/51/17/876915117.db2.gz MDFOGBAEASZDSQ-SJKOYZFVSA-N 1 1 384.354 3.704 20 5 GHBDMO C[NH+](C)[C@@H]1CCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000451083606 877340310 /nfs/dbraw/zinc/34/03/10/877340310.db2.gz IBAXKIZENASLPU-MRXNPFEDSA-N 1 1 395.868 3.598 20 5 GHBDMO COC[C@]1(C)CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000451202552 877567133 /nfs/dbraw/zinc/56/71/33/877567133.db2.gz PJIPBNXCIDAWAT-RBBKRZOGSA-N 1 1 397.475 3.941 20 5 GHBDMO COC[C@]1(C)CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000451202552 877567144 /nfs/dbraw/zinc/56/71/44/877567144.db2.gz PJIPBNXCIDAWAT-RBBKRZOGSA-N 1 1 397.475 3.941 20 5 GHBDMO COCCOc1ccccc1N1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000492972126 877912245 /nfs/dbraw/zinc/91/22/45/877912245.db2.gz JLUBATPRVSRIIA-GOSISDBHSA-N 1 1 399.491 3.812 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000852160586 878111855 /nfs/dbraw/zinc/11/18/55/878111855.db2.gz IDMFLTCSYWVGSE-LJQANCHMSA-N 1 1 380.366 3.958 20 5 GHBDMO Cc1oc2nc(C[N@@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)nc(N)c2c1C ZINC000451549668 878126247 /nfs/dbraw/zinc/12/62/47/878126247.db2.gz QBBXXJJYIHKTGS-HNNXBMFYSA-N 1 1 381.436 3.710 20 5 GHBDMO Cc1oc2nc(C[N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)nc(N)c2c1C ZINC000451549668 878126260 /nfs/dbraw/zinc/12/62/60/878126260.db2.gz QBBXXJJYIHKTGS-HNNXBMFYSA-N 1 1 381.436 3.710 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000530672930 878299876 /nfs/dbraw/zinc/29/98/76/878299876.db2.gz BDQIYFFTEPLQRU-FOIQADDNSA-N 1 1 392.459 3.717 20 5 GHBDMO O=C(N1CCC[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000852472233 878347446 /nfs/dbraw/zinc/34/74/46/878347446.db2.gz ASYVKCWYQJJMGZ-NVXWUHKLSA-N 1 1 399.413 3.750 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+](CCc2ccc(F)cc2)C2CC2)nc1-c1ccccn1 ZINC000853497290 879064119 /nfs/dbraw/zinc/06/41/19/879064119.db2.gz VSHLUKKTWYYEBI-UHFFFAOYSA-N 1 1 381.411 3.657 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)C2)c1 ZINC000853515962 879076447 /nfs/dbraw/zinc/07/64/47/879076447.db2.gz GRLOLVHNDYPSJX-QAQDUYKDSA-N 1 1 393.447 3.697 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000795693130 912421533 /nfs/dbraw/zinc/42/15/33/912421533.db2.gz HCWRLIYPGMLJGR-QHAWAJNXSA-N 1 1 392.459 3.715 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000795693127 912421676 /nfs/dbraw/zinc/42/16/76/912421676.db2.gz HCWRLIYPGMLJGR-NJYVYQBISA-N 1 1 392.459 3.715 20 5 GHBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000180807541 879363850 /nfs/dbraw/zinc/36/38/50/879363850.db2.gz HACOPUYCJSSDLM-CYBMUJFWSA-N 1 1 376.482 3.666 20 5 GHBDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493282103 879363791 /nfs/dbraw/zinc/36/37/91/879363791.db2.gz SCLMKRFNQZKOBQ-UHFFFAOYSA-N 1 1 379.888 3.909 20 5 GHBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@H]2C1 ZINC000493343004 879388640 /nfs/dbraw/zinc/38/86/40/879388640.db2.gz AZUKXSJWAYIVAY-QRWLVFNGSA-N 1 1 397.500 3.912 20 5 GHBDMO C[C@H](NC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000854097498 879527356 /nfs/dbraw/zinc/52/73/56/879527356.db2.gz OMAXQZAFKZBORC-UWJYYQICSA-N 1 1 396.491 3.614 20 5 GHBDMO C[N@@H+](CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000790526812 879793304 /nfs/dbraw/zinc/79/33/04/879793304.db2.gz XFSFDQCWYWWHEX-UHFFFAOYSA-N 1 1 385.867 3.701 20 5 GHBDMO CCOc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000181135846 879834607 /nfs/dbraw/zinc/83/46/07/879834607.db2.gz SYWRNLNGDYPWJR-IBGZPJMESA-N 1 1 385.464 3.562 20 5 GHBDMO C[C@@H]1[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000494028017 879837328 /nfs/dbraw/zinc/83/73/28/879837328.db2.gz OUEZBVSIJHPZFF-KDOFPFPSSA-N 1 1 379.416 3.734 20 5 GHBDMO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000152941160 879988616 /nfs/dbraw/zinc/98/86/16/879988616.db2.gz KDYDXDZIOADXGG-UHFFFAOYSA-N 1 1 387.867 3.777 20 5 GHBDMO CCN(C(=O)c1cc([N+](=O)[O-])cc(C)c1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790953263 880098276 /nfs/dbraw/zinc/09/82/76/880098276.db2.gz XCWNMTYDFPYSSH-KRWDZBQOSA-N 1 1 385.439 3.779 20 5 GHBDMO CN(C)c1ccc(NC(=O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000792240152 880999413 /nfs/dbraw/zinc/99/94/13/880999413.db2.gz MURVTUPSKVAVRB-UHFFFAOYSA-N 1 1 382.464 3.654 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000113987111 881025822 /nfs/dbraw/zinc/02/58/22/881025822.db2.gz KIVZNYDZZTXDIB-GJZGRUSLSA-N 1 1 379.888 3.975 20 5 GHBDMO CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000520365538 881083661 /nfs/dbraw/zinc/08/36/61/881083661.db2.gz RQCFMTDEZAGMPI-LJQANCHMSA-N 1 1 394.475 3.516 20 5 GHBDMO COCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1c(C)nn(C)c1C ZINC000453623351 881174111 /nfs/dbraw/zinc/17/41/11/881174111.db2.gz XNWDVWHOFQHJSR-UHFFFAOYSA-N 1 1 398.463 3.854 20 5 GHBDMO COCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1c(C)nn(C)c1C ZINC000453623351 881174121 /nfs/dbraw/zinc/17/41/21/881174121.db2.gz XNWDVWHOFQHJSR-UHFFFAOYSA-N 1 1 398.463 3.854 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c2cccnc21 ZINC000556967594 881239462 /nfs/dbraw/zinc/23/94/62/881239462.db2.gz MQNDSTYQNCVEND-LJQANCHMSA-N 1 1 378.432 3.628 20 5 GHBDMO COc1cc(C[N@@H+](C)CCSC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537625484 881240216 /nfs/dbraw/zinc/24/02/16/881240216.db2.gz JDAPRTYDXDDLBD-UHFFFAOYSA-N 1 1 376.478 3.977 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000064350086 883163485 /nfs/dbraw/zinc/16/34/85/883163485.db2.gz RQKYGQIERYNFAR-GOSISDBHSA-N 1 1 378.856 3.899 20 5 GHBDMO CC(C)[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350334 883163879 /nfs/dbraw/zinc/16/38/79/883163879.db2.gz FZTAVYIWNGBEQP-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO CC(C)[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350334 883163889 /nfs/dbraw/zinc/16/38/89/883163889.db2.gz FZTAVYIWNGBEQP-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H]1CCCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001168157100 883371660 /nfs/dbraw/zinc/37/16/60/883371660.db2.gz WKJZVLSOGRAYQL-HXUWFJFHSA-N 1 1 393.487 3.971 20 5 GHBDMO CC[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000609625750 883449928 /nfs/dbraw/zinc/44/99/28/883449928.db2.gz XXMFOFVOOTWVHE-IBGZPJMESA-N 1 1 383.448 3.941 20 5 GHBDMO CC[N@@H+](CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)CCC(F)(F)F ZINC000494784637 883585891 /nfs/dbraw/zinc/58/58/91/883585891.db2.gz YEFKGGACYVFNAI-UHFFFAOYSA-N 1 1 376.379 3.607 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000609767310 883623713 /nfs/dbraw/zinc/62/37/13/883623713.db2.gz XDFJCQNQOWKORU-HNNXBMFYSA-N 1 1 385.395 3.521 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000609774017 883635010 /nfs/dbraw/zinc/63/50/10/883635010.db2.gz OSSBZIJWHAIGAO-HNNXBMFYSA-N 1 1 384.436 3.850 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000609874483 883761176 /nfs/dbraw/zinc/76/11/76/883761176.db2.gz CLRVNAQCGMWATG-QGZVFWFLSA-N 1 1 381.476 3.779 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000609874483 883761187 /nfs/dbraw/zinc/76/11/87/883761187.db2.gz CLRVNAQCGMWATG-QGZVFWFLSA-N 1 1 381.476 3.779 20 5 GHBDMO CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000609875406 883764058 /nfs/dbraw/zinc/76/40/58/883764058.db2.gz NWTLRWUDRDTFMJ-UHFFFAOYSA-N 1 1 387.867 3.985 20 5 GHBDMO CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000609875406 883764070 /nfs/dbraw/zinc/76/40/70/883764070.db2.gz NWTLRWUDRDTFMJ-UHFFFAOYSA-N 1 1 387.867 3.985 20 5 GHBDMO COc1ccccc1O[C@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000795732908 912759497 /nfs/dbraw/zinc/75/94/97/912759497.db2.gz YGKHJBSAHZDMMZ-KRWDZBQOSA-N 1 1 396.447 3.762 20 5 GHBDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000795732908 912759512 /nfs/dbraw/zinc/75/95/12/912759512.db2.gz YGKHJBSAHZDMMZ-KRWDZBQOSA-N 1 1 396.447 3.762 20 5 GHBDMO COc1ccccc1O[C@@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000795732909 912760129 /nfs/dbraw/zinc/76/01/29/912760129.db2.gz YGKHJBSAHZDMMZ-QGZVFWFLSA-N 1 1 396.447 3.762 20 5 GHBDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000795732909 912760136 /nfs/dbraw/zinc/76/01/36/912760136.db2.gz YGKHJBSAHZDMMZ-QGZVFWFLSA-N 1 1 396.447 3.762 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000476193869 884257621 /nfs/dbraw/zinc/25/76/21/884257621.db2.gz PRCMOTOYFFLTCI-SFHVURJKSA-N 1 1 397.475 3.588 20 5 GHBDMO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001130668299 884807324 /nfs/dbraw/zinc/80/73/24/884807324.db2.gz HDZMFSDBNPIWSW-FGTMMUONSA-N 1 1 381.476 3.647 20 5 GHBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(c1ccccc1)c1ccccc1 ZINC000556449223 884964285 /nfs/dbraw/zinc/96/42/85/884964285.db2.gz VLONOCPRHLWONU-UHFFFAOYSA-N 1 1 377.444 3.868 20 5 GHBDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000495369172 885539745 /nfs/dbraw/zinc/53/97/45/885539745.db2.gz ONJCNBLOHDYCLK-NHYWBVRUSA-N 1 1 384.274 3.806 20 5 GHBDMO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1ccccc1 ZINC000532500175 885878859 /nfs/dbraw/zinc/87/88/59/885878859.db2.gz ZEHUFIVBTZAQSF-AWEZNQCLSA-N 1 1 391.855 3.896 20 5 GHBDMO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1ccccc1 ZINC000532500175 885878870 /nfs/dbraw/zinc/87/88/70/885878870.db2.gz ZEHUFIVBTZAQSF-AWEZNQCLSA-N 1 1 391.855 3.896 20 5 GHBDMO CC1CC[NH+](C[C@H]2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000498894304 886042458 /nfs/dbraw/zinc/04/24/58/886042458.db2.gz ULQUSZQIEOPXMZ-IBGZPJMESA-N 1 1 375.513 3.808 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862192020 886201564 /nfs/dbraw/zinc/20/15/64/886201564.db2.gz RHQNXAQSPLCLNU-INIZCTEOSA-N 1 1 387.867 3.637 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc([N+](=O)[O-])cc3F)C2)s1 ZINC000556827063 886273216 /nfs/dbraw/zinc/27/32/16/886273216.db2.gz CICPBXYBFRIIFJ-AWEZNQCLSA-N 1 1 391.468 3.698 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556873984 886440664 /nfs/dbraw/zinc/44/06/64/886440664.db2.gz YNJXVXXDNIRTEL-WIYYLYMNSA-N 1 1 391.475 3.676 20 5 GHBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000862550988 886460968 /nfs/dbraw/zinc/46/09/68/886460968.db2.gz IWCHIJIBBSHJLG-KRWDZBQOSA-N 1 1 382.529 3.754 20 5 GHBDMO C[C@H](O)C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000272481626 887569657 /nfs/dbraw/zinc/56/96/57/887569657.db2.gz CBUMILMZXOHITF-LDQXTDLNSA-N 1 1 394.475 3.562 20 5 GHBDMO CC(C)C[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@@H]1CCCc2cccnc21 ZINC000794641037 887670544 /nfs/dbraw/zinc/67/05/44/887670544.db2.gz BWUCBXNCSQRVQD-MRXNPFEDSA-N 1 1 396.447 3.891 20 5 GHBDMO CC(C)C[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@@H]1CCCc2cccnc21 ZINC000794641037 887670549 /nfs/dbraw/zinc/67/05/49/887670549.db2.gz BWUCBXNCSQRVQD-MRXNPFEDSA-N 1 1 396.447 3.891 20 5 GHBDMO COc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1OC(=O)C1CC1 ZINC000809688972 887708060 /nfs/dbraw/zinc/70/80/60/887708060.db2.gz SKSDYRMYLQISQQ-UHFFFAOYSA-N 1 1 384.432 3.593 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000194036343 887974448 /nfs/dbraw/zinc/97/44/48/887974448.db2.gz SWRQVXBAWODFGG-UHFFFAOYSA-N 1 1 397.410 3.570 20 5 GHBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000809999594 888067926 /nfs/dbraw/zinc/06/79/26/888067926.db2.gz KWJLPRSSNFSGRP-HNNXBMFYSA-N 1 1 382.247 3.950 20 5 GHBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000809999594 888067944 /nfs/dbraw/zinc/06/79/44/888067944.db2.gz KWJLPRSSNFSGRP-HNNXBMFYSA-N 1 1 382.247 3.950 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(OCCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000194340158 888228123 /nfs/dbraw/zinc/22/81/23/888228123.db2.gz QYWRAVWMHGNEAC-INIZCTEOSA-N 1 1 377.485 3.757 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001132118054 888256273 /nfs/dbraw/zinc/25/62/73/888256273.db2.gz QCMZRQMPUDRSHY-HXUWFJFHSA-N 1 1 381.476 3.698 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C(F)F)c1 ZINC000865936006 888654949 /nfs/dbraw/zinc/65/49/49/888654949.db2.gz CGXIBNXWHUVKIN-INIZCTEOSA-N 1 1 377.391 3.711 20 5 GHBDMO C[C@]([NH3+])(C(=O)Nc1ccc(CCC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000867946237 889232768 /nfs/dbraw/zinc/23/27/68/889232768.db2.gz OIRPRJISOVGTJH-QGZVFWFLSA-N 1 1 381.354 3.902 20 5 GHBDMO COC[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000532966898 889399350 /nfs/dbraw/zinc/39/93/50/889399350.db2.gz AGJROMYELYHNHM-JXFKEZNVSA-N 1 1 383.448 3.551 20 5 GHBDMO COC[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000532966898 889399357 /nfs/dbraw/zinc/39/93/57/889399357.db2.gz AGJROMYELYHNHM-JXFKEZNVSA-N 1 1 383.448 3.551 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532980321 889450531 /nfs/dbraw/zinc/45/05/31/889450531.db2.gz JIXRWEKVODQUCL-MRXNPFEDSA-N 1 1 385.851 3.627 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000811484387 889634757 /nfs/dbraw/zinc/63/47/57/889634757.db2.gz VXVYRCIEIRPJSB-KRWDZBQOSA-N 1 1 382.416 3.918 20 5 GHBDMO COc1cc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc(OC)c1 ZINC000533249557 890092807 /nfs/dbraw/zinc/09/28/07/890092807.db2.gz BVLLNJGBBABTIJ-UHFFFAOYSA-N 1 1 397.431 3.942 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000154143224 890111717 /nfs/dbraw/zinc/11/17/17/890111717.db2.gz APRUCSUZSMFMSD-INIZCTEOSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000154143224 890111728 /nfs/dbraw/zinc/11/17/28/890111728.db2.gz APRUCSUZSMFMSD-INIZCTEOSA-N 1 1 387.867 3.890 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001133115708 890238785 /nfs/dbraw/zinc/23/87/85/890238785.db2.gz CUPRGZHGUQIVPV-FMIVXFBMSA-N 1 1 379.460 3.515 20 5 GHBDMO CCN1CC[NH+](Cc2ccccc2CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001184829911 913468075 /nfs/dbraw/zinc/46/80/75/913468075.db2.gz HFUYHNBVJJEILJ-UHFFFAOYSA-N 1 1 388.899 3.998 20 5 GHBDMO Cc1cc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c(F)cc1[N+](=O)[O-] ZINC000812451529 890644493 /nfs/dbraw/zinc/64/44/93/890644493.db2.gz JGVGCJWMSLEKFI-UHFFFAOYSA-N 1 1 380.423 3.913 20 5 GHBDMO COC(=O)/C=C\c1ccc(NCCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000917073045 891011224 /nfs/dbraw/zinc/01/12/24/891011224.db2.gz BEAHWLQUSHCLBU-SLWQEBJJSA-N 1 1 375.469 3.848 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)[C@H](O)c1ccccc1 ZINC000812854708 891048022 /nfs/dbraw/zinc/04/80/22/891048022.db2.gz VQIIMNAVNXGQEW-IERDGZPVSA-N 1 1 385.464 3.676 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)c2c1 ZINC001184926223 913539342 /nfs/dbraw/zinc/53/93/42/913539342.db2.gz DDPFFCYGRFKWRI-OWCLPIDISA-N 1 1 384.480 3.993 20 5 GHBDMO O=C(C[C@H]1CCOc2ccccc21)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173172 891337032 /nfs/dbraw/zinc/33/70/32/891337032.db2.gz YFGWPIFDXCBJEL-MJGOQNOKSA-N 1 1 396.443 3.669 20 5 GHBDMO O=C(C[C@H]1CCOc2ccccc21)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173172 891337045 /nfs/dbraw/zinc/33/70/45/891337045.db2.gz YFGWPIFDXCBJEL-MJGOQNOKSA-N 1 1 396.443 3.669 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001126754411 891510195 /nfs/dbraw/zinc/51/01/95/891510195.db2.gz SLQIMCZDJATOTB-APWZRJJASA-N 1 1 381.476 3.995 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC000497552237 891883883 /nfs/dbraw/zinc/88/38/83/891883883.db2.gz YZICGQWJEUNHFH-UHFFFAOYSA-N 1 1 381.263 3.661 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000813823139 891996472 /nfs/dbraw/zinc/99/64/72/891996472.db2.gz FWAZWRNGAONLOM-KIXLUETGSA-N 1 1 379.460 3.777 20 5 GHBDMO Cc1c(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC001170719888 892182916 /nfs/dbraw/zinc/18/29/16/892182916.db2.gz IDQKVLYIKPDOIT-WGSAOQKQSA-N 1 1 390.503 3.793 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000814226055 892416973 /nfs/dbraw/zinc/41/69/73/892416973.db2.gz ZEDNIOLZMZUEAR-IBGZPJMESA-N 1 1 377.448 3.863 20 5 GHBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194534280 892927024 /nfs/dbraw/zinc/92/70/24/892927024.db2.gz MVKDTQVVDZNXEV-MRXNPFEDSA-N 1 1 385.464 3.634 20 5 GHBDMO Cc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933342016 893010838 /nfs/dbraw/zinc/01/08/38/893010838.db2.gz SOXANINMVVTHGU-ZYHUDNBSSA-N 1 1 388.390 3.868 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001134556150 893077254 /nfs/dbraw/zinc/07/72/54/893077254.db2.gz NZPNHKNSHPTCLK-HNNXBMFYSA-N 1 1 377.510 3.844 20 5 GHBDMO COc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001185230815 913744313 /nfs/dbraw/zinc/74/43/13/913744313.db2.gz MNQRYQQLMGUPSL-UHFFFAOYSA-N 1 1 377.391 3.863 20 5 GHBDMO COc1cc(Br)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000126055672 893255101 /nfs/dbraw/zinc/25/51/01/893255101.db2.gz XJXAUFONECHMFG-UHFFFAOYSA-N 1 1 381.226 3.664 20 5 GHBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000918247659 893407922 /nfs/dbraw/zinc/40/79/22/893407922.db2.gz CDDXALLJUZHYMF-IZZDOVSWSA-N 1 1 399.878 3.996 20 5 GHBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000918247659 893407931 /nfs/dbraw/zinc/40/79/31/893407931.db2.gz CDDXALLJUZHYMF-IZZDOVSWSA-N 1 1 399.878 3.996 20 5 GHBDMO CC[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000542611387 893411781 /nfs/dbraw/zinc/41/17/81/893411781.db2.gz FGGRMBWTUJCBCC-YJBOKZPZSA-N 1 1 399.466 3.791 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000536668313 893488708 /nfs/dbraw/zinc/48/87/08/893488708.db2.gz SUQMBICDWOYSIX-GOSISDBHSA-N 1 1 385.464 3.713 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194617906 893500719 /nfs/dbraw/zinc/50/07/19/893500719.db2.gz AJWHTLGWQIRRTP-GOSISDBHSA-N 1 1 397.475 3.588 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000815144328 893517693 /nfs/dbraw/zinc/51/76/93/893517693.db2.gz YIQYMUPGVBWIFX-GFCCVEGCSA-N 1 1 385.355 3.679 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCN3CCC3)o2)c(Br)c1 ZINC000563414777 893707370 /nfs/dbraw/zinc/70/73/70/893707370.db2.gz ASRNQKAKGFFUSL-UHFFFAOYSA-N 1 1 394.269 3.803 20 5 GHBDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000563475144 893779675 /nfs/dbraw/zinc/77/96/75/893779675.db2.gz HFCCOKHVGMXLEH-QGPMSJSTSA-N 1 1 386.448 3.716 20 5 GHBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000459560316 893808998 /nfs/dbraw/zinc/80/89/98/893808998.db2.gz LUDLSPXUFGLATE-HXUWFJFHSA-N 1 1 387.436 3.804 20 5 GHBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000459560316 893809021 /nfs/dbraw/zinc/80/90/21/893809021.db2.gz LUDLSPXUFGLATE-HXUWFJFHSA-N 1 1 387.436 3.804 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459653877 893989115 /nfs/dbraw/zinc/98/91/15/893989115.db2.gz DSRDMTWXNVHURR-HNNXBMFYSA-N 1 1 376.350 3.915 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459653877 893989124 /nfs/dbraw/zinc/98/91/24/893989124.db2.gz DSRDMTWXNVHURR-HNNXBMFYSA-N 1 1 376.350 3.915 20 5 GHBDMO CC(C)OC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878084144 894001939 /nfs/dbraw/zinc/00/19/39/894001939.db2.gz BIKVAEITKQKSSV-UHFFFAOYSA-N 1 1 380.832 3.688 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459690987 894078518 /nfs/dbraw/zinc/07/85/18/894078518.db2.gz UJLIZFHVFHMAQG-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)o1 ZINC000878273053 894146436 /nfs/dbraw/zinc/14/64/36/894146436.db2.gz HXGJBACWPFGKOG-INIZCTEOSA-N 1 1 379.420 3.721 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)o1 ZINC000878273053 894146443 /nfs/dbraw/zinc/14/64/43/894146443.db2.gz HXGJBACWPFGKOG-INIZCTEOSA-N 1 1 379.420 3.721 20 5 GHBDMO C[C@@H](C[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OC(C)(C)C ZINC000459812020 894199563 /nfs/dbraw/zinc/19/95/63/894199563.db2.gz RKPGUFIPAZRKGI-STQMWFEESA-N 1 1 390.440 3.615 20 5 GHBDMO C[N@@H+](CCc1ccc(Br)cc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774876242 913854826 /nfs/dbraw/zinc/85/48/26/913854826.db2.gz NLAIXLKYYYZLBV-UHFFFAOYSA-N 1 1 394.225 3.940 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)o1 ZINC000878455974 894306237 /nfs/dbraw/zinc/30/62/37/894306237.db2.gz KNHXTILPNBUWNR-NRFANRHFSA-N 1 1 392.415 3.666 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)o1 ZINC000878455974 894306249 /nfs/dbraw/zinc/30/62/49/894306249.db2.gz KNHXTILPNBUWNR-NRFANRHFSA-N 1 1 392.415 3.666 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000537212514 894567819 /nfs/dbraw/zinc/56/78/19/894567819.db2.gz LMGKPGRRLAQSTC-CALCHBBNSA-N 1 1 396.491 3.755 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC001135521654 894727768 /nfs/dbraw/zinc/72/77/68/894727768.db2.gz WSVKVEBGYXGSRA-UHFFFAOYSA-N 1 1 391.830 3.654 20 5 GHBDMO Nc1c(F)c(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000476095453 895160554 /nfs/dbraw/zinc/16/05/54/895160554.db2.gz MCCZNFFUTZOMLE-UHFFFAOYSA-N 1 1 380.370 3.671 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CC[C@H](c3nccs3)C2)o1 ZINC000880322817 895639318 /nfs/dbraw/zinc/63/93/18/895639318.db2.gz KSZGUXYPTWUERL-JTQLQIEISA-N 1 1 391.840 3.744 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@H](c3nccs3)C2)o1 ZINC000880322817 895639325 /nfs/dbraw/zinc/63/93/25/895639325.db2.gz KSZGUXYPTWUERL-JTQLQIEISA-N 1 1 391.840 3.744 20 5 GHBDMO O=[N+]([O-])c1ccc(Cn2cc(C[NH2+][C@H]3CCCc4ccccc43)nn2)c(F)c1 ZINC000881307461 896283951 /nfs/dbraw/zinc/28/39/51/896283951.db2.gz XLQCESGZWOLESM-FQEVSTJZSA-N 1 1 381.411 3.541 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2csc(CCc3ccccc3)n2)c1 ZINC000819141513 896396855 /nfs/dbraw/zinc/39/68/55/896396855.db2.gz XHTBBHVXBRIIEV-IBGZPJMESA-N 1 1 383.473 3.660 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000129818622 896895898 /nfs/dbraw/zinc/89/58/98/896895898.db2.gz SALRFIQRTIQLTQ-KVTJOUQJSA-N 1 1 385.489 3.869 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)C1 ZINC001136252265 896903588 /nfs/dbraw/zinc/90/35/88/896903588.db2.gz GEOMFJIJBCMTPX-IYBDPMFKSA-N 1 1 397.475 3.708 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)C1 ZINC001136252265 896903599 /nfs/dbraw/zinc/90/35/99/896903599.db2.gz GEOMFJIJBCMTPX-IYBDPMFKSA-N 1 1 397.475 3.708 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)c2)cc1 ZINC000819903301 897044879 /nfs/dbraw/zinc/04/48/79/897044879.db2.gz KERTZXMFJZQBBI-FQEVSTJZSA-N 1 1 382.464 3.697 20 5 GHBDMO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000130418160 897081375 /nfs/dbraw/zinc/08/13/75/897081375.db2.gz ZAUXFMNWMNUAHV-UHFFFAOYSA-N 1 1 382.445 3.618 20 5 GHBDMO O=C(Cc1nsc2ccccc12)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000821172072 897776846 /nfs/dbraw/zinc/77/68/46/897776846.db2.gz UOKWGSLHIQFALC-INIZCTEOSA-N 1 1 397.456 3.565 20 5 GHBDMO O=C(Cc1nsc2ccccc12)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000821172072 897776852 /nfs/dbraw/zinc/77/68/52/897776852.db2.gz UOKWGSLHIQFALC-INIZCTEOSA-N 1 1 397.456 3.565 20 5 GHBDMO Cn1cc([C@@H]2C[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000821336733 897841892 /nfs/dbraw/zinc/84/18/92/897841892.db2.gz JAAWBTXPXIKZMV-AWEZNQCLSA-N 1 1 393.285 3.716 20 5 GHBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000821336733 897841898 /nfs/dbraw/zinc/84/18/98/897841898.db2.gz JAAWBTXPXIKZMV-AWEZNQCLSA-N 1 1 393.285 3.716 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000289551776 914236153 /nfs/dbraw/zinc/23/61/53/914236153.db2.gz FHDQKPHFCYCPTA-ZIAGYGMSSA-N 1 1 398.891 3.507 20 5 GHBDMO CC(C)c1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000332135197 899425469 /nfs/dbraw/zinc/42/54/69/899425469.db2.gz PLNJNHRRHLOZGG-UHFFFAOYSA-N 1 1 388.556 3.568 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(F)cc3Br)CC2)n1 ZINC000332468772 899692270 /nfs/dbraw/zinc/69/22/70/899692270.db2.gz TZJRYRUQWLQRQX-UHFFFAOYSA-N 1 1 383.221 3.530 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000571455509 899875459 /nfs/dbraw/zinc/87/54/59/899875459.db2.gz PEKNRDGNCLHKGW-UHFFFAOYSA-N 1 1 397.504 3.948 20 5 GHBDMO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000573451215 900514473 /nfs/dbraw/zinc/51/44/73/900514473.db2.gz YMGIFHDUFJZPFV-IPMKNSEASA-N 1 1 384.480 3.745 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)nc1 ZINC000136402331 900656391 /nfs/dbraw/zinc/65/63/91/900656391.db2.gz ICIFXDAMLBMDQY-LRDDRELGSA-N 1 1 397.262 3.516 20 5 GHBDMO CCOc1cccc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000576010677 901584540 /nfs/dbraw/zinc/58/45/40/901584540.db2.gz GHGOQYSCYIVXOY-FQEVSTJZSA-N 1 1 380.448 3.649 20 5 GHBDMO C[C@@H](C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000576366826 901974999 /nfs/dbraw/zinc/97/49/99/901974999.db2.gz GWICTRKOHJQDOF-CQSZACIVSA-N 1 1 377.460 3.632 20 5 GHBDMO CC1(C)C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)Cc2ccccc2O1 ZINC000576736925 902226852 /nfs/dbraw/zinc/22/68/52/902226852.db2.gz HGVWQCVCTPTXBU-UHFFFAOYSA-N 1 1 397.431 3.566 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001144496758 902257843 /nfs/dbraw/zinc/25/78/43/902257843.db2.gz GGFCAIOLBGWSLW-UHFFFAOYSA-N 1 1 385.439 3.779 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001144496758 902257850 /nfs/dbraw/zinc/25/78/50/902257850.db2.gz GGFCAIOLBGWSLW-UHFFFAOYSA-N 1 1 385.439 3.779 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CN3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)nc2c1 ZINC000576910181 902351691 /nfs/dbraw/zinc/35/16/91/902351691.db2.gz ARWXEMNYTIQMRR-QZTJIDSGSA-N 1 1 392.459 3.690 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000577332849 902688148 /nfs/dbraw/zinc/68/81/48/902688148.db2.gz UVMDHRSXSLFRPJ-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000577332849 902688151 /nfs/dbraw/zinc/68/81/51/902688151.db2.gz UVMDHRSXSLFRPJ-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO COC(=O)C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000159219997 902724460 /nfs/dbraw/zinc/72/44/60/902724460.db2.gz OOEPJOVCWRKJQV-UHFFFAOYSA-N 1 1 388.395 3.911 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000129134631 902766241 /nfs/dbraw/zinc/76/62/41/902766241.db2.gz KCQLLLVNYZURCU-UHFFFAOYSA-N 1 1 397.522 3.512 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000132563301 903276155 /nfs/dbraw/zinc/27/61/55/903276155.db2.gz KEWULKWJBOLGIA-PXAZEXFGSA-N 1 1 397.397 3.703 20 5 GHBDMO CCOC(C[N@H+](CC)Cc1ccc(Br)c([N+](=O)[O-])c1)OCC ZINC000846977266 903386301 /nfs/dbraw/zinc/38/63/01/903386301.db2.gz UEQWJMKDFGSGDS-UHFFFAOYSA-N 1 1 375.263 3.578 20 5 GHBDMO CCOC(C[N@@H+](CC)Cc1ccc(Br)c([N+](=O)[O-])c1)OCC ZINC000846977266 903386319 /nfs/dbraw/zinc/38/63/19/903386319.db2.gz UEQWJMKDFGSGDS-UHFFFAOYSA-N 1 1 375.263 3.578 20 5 GHBDMO C[C@](CO)([NH2+]Cc1cnc(CCc2ccccc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000601148597 903391602 /nfs/dbraw/zinc/39/16/02/903391602.db2.gz DRKSGXBZKSUELO-OAQYLSRUSA-N 1 1 397.500 3.834 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000578396738 903800157 /nfs/dbraw/zinc/80/01/57/903800157.db2.gz KQJAWCNFXZBLIX-NQIIRXRSSA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000578396738 903800166 /nfs/dbraw/zinc/80/01/66/903800166.db2.gz KQJAWCNFXZBLIX-NQIIRXRSSA-N 1 1 383.492 3.845 20 5 GHBDMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000579032505 904302148 /nfs/dbraw/zinc/30/21/48/904302148.db2.gz GRBBQFDKJXKHPS-NSHDSACASA-N 1 1 393.237 3.995 20 5 GHBDMO CCOc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000303453419 914820186 /nfs/dbraw/zinc/82/01/86/914820186.db2.gz FNWNRCSDIZQKPB-HNNXBMFYSA-N 1 1 377.485 3.624 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000773274073 904642705 /nfs/dbraw/zinc/64/27/05/904642705.db2.gz NZYSBZNVMXOXFU-FYWRMAATSA-N 1 1 381.432 3.772 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903144 905924679 /nfs/dbraw/zinc/92/46/79/905924679.db2.gz FPFYOFNIJGJALA-YTQUADARSA-N 1 1 387.480 3.536 20 5 GHBDMO COC(C[N@@H+](Cc1ccccc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)OC ZINC001172904955 905929016 /nfs/dbraw/zinc/92/90/16/905929016.db2.gz BPODMMPALRPRBI-FQEVSTJZSA-N 1 1 384.476 3.963 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[NH+](CCc3cccs3)CC1)CC2 ZINC001172915570 905988391 /nfs/dbraw/zinc/98/83/91/905988391.db2.gz PDHUAVMHBFSMAU-IBGZPJMESA-N 1 1 385.533 3.764 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCO[C@H](COc3ccccc3)C1)CC2 ZINC001172920044 905990478 /nfs/dbraw/zinc/99/04/78/905990478.db2.gz IAZIYFNSXSJLJC-KNQAVFIVSA-N 1 1 382.460 3.622 20 5 GHBDMO CC(C)[N@@H+](C1CCOCC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173020465 906097146 /nfs/dbraw/zinc/09/71/46/906097146.db2.gz REAZRDRTSSKTDQ-UHFFFAOYSA-N 1 1 383.439 3.731 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCN(CC(C)(C)C)CC2)c1F ZINC001173178468 906257201 /nfs/dbraw/zinc/25/72/01/906257201.db2.gz HRQIGJISAFBPEK-CQSZACIVSA-N 1 1 381.492 3.774 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2CC[NH+](CC(C)(C)C)CC2)c1F ZINC001173178468 906257214 /nfs/dbraw/zinc/25/72/14/906257214.db2.gz HRQIGJISAFBPEK-CQSZACIVSA-N 1 1 381.492 3.774 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)c1F ZINC001173196600 906281606 /nfs/dbraw/zinc/28/16/06/906281606.db2.gz OEKZSWOAMZZSSU-FOIQADDNSA-N 1 1 399.466 3.589 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)c1F ZINC001173196600 906281616 /nfs/dbraw/zinc/28/16/16/906281616.db2.gz OEKZSWOAMZZSSU-FOIQADDNSA-N 1 1 399.466 3.589 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001173220770 906297884 /nfs/dbraw/zinc/29/78/84/906297884.db2.gz CFSGBYMTAXMOBA-YWZLYKJASA-N 1 1 375.469 3.611 20 5 GHBDMO COc1cccc(CC2([NH3+])CCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001173220555 906297930 /nfs/dbraw/zinc/29/79/30/906297930.db2.gz CWZRMXOTHJXOQG-QGZVFWFLSA-N 1 1 383.492 3.570 20 5 GHBDMO CCn1ncc2c1C[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C[C@H]2COCC1CC1 ZINC001173221861 906299494 /nfs/dbraw/zinc/29/94/94/906299494.db2.gz MUJPJETZJDSXNA-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO CCn1ncc2c1C[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C[C@H]2COCC1CC1 ZINC001173221861 906299506 /nfs/dbraw/zinc/29/95/06/906299506.db2.gz MUJPJETZJDSXNA-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001173222412 906301846 /nfs/dbraw/zinc/30/18/46/906301846.db2.gz RMPXHFHFTZELTJ-GPWPYBQESA-N 1 1 375.469 3.515 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(CC3CC3)c21 ZINC001173223261 906303328 /nfs/dbraw/zinc/30/33/28/906303328.db2.gz ZIGCORGPMJOKLQ-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(CC3CC3)c21 ZINC001173223261 906303341 /nfs/dbraw/zinc/30/33/41/906303341.db2.gz ZIGCORGPMJOKLQ-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001173225095 906307215 /nfs/dbraw/zinc/30/72/15/906307215.db2.gz MFQRYSZJORLCAZ-GOSISDBHSA-N 1 1 395.507 3.698 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001173230716 906315004 /nfs/dbraw/zinc/31/50/04/906315004.db2.gz ZVGASETUJDARJD-CVEARBPZSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173231744 906316292 /nfs/dbraw/zinc/31/62/92/906316292.db2.gz CWSWCIJFJDFGNO-INMHGKMJSA-N 1 1 377.485 3.761 20 5 GHBDMO COC(=O)[C@@](C)([NH3+])Cc1cn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173231977 906318513 /nfs/dbraw/zinc/31/85/13/906318513.db2.gz BTEGPVVQAIFKLY-QRQCRPRQSA-N 1 1 395.459 3.786 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173233832 906319992 /nfs/dbraw/zinc/31/99/92/906319992.db2.gz ZKNVJDBIAFDLOX-RKVPGOIHSA-N 1 1 377.485 3.761 20 5 GHBDMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000184021403 907502653 /nfs/dbraw/zinc/50/26/53/907502653.db2.gz LZNHWHRDXSAAAN-MNOVXSKESA-N 1 1 382.873 3.767 20 5 GHBDMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000184021403 907502657 /nfs/dbraw/zinc/50/26/57/907502657.db2.gz LZNHWHRDXSAAAN-MNOVXSKESA-N 1 1 382.873 3.767 20 5 GHBDMO C[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC001177804413 908764508 /nfs/dbraw/zinc/76/45/08/908764508.db2.gz OGBKAMHUFOZOSQ-JTQLQIEISA-N 1 1 393.241 3.699 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194780535 908923877 /nfs/dbraw/zinc/92/38/77/908923877.db2.gz VZBMJQPHUJUHIR-IBGZPJMESA-N 1 1 381.476 3.887 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@H]1Cc2ccccc2O1 ZINC001178942512 909327004 /nfs/dbraw/zinc/32/70/04/909327004.db2.gz XFZQWRXJHPEQQG-JOCHJYFZSA-N 1 1 399.450 3.899 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)nc1 ZINC000245631632 909782214 /nfs/dbraw/zinc/78/22/14/909782214.db2.gz ICIFXDAMLBMDQY-MLGOLLRUSA-N 1 1 397.262 3.516 20 5 GHBDMO O=C(N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cc([N+](=O)[O-])ccc1F ZINC001180429170 910135652 /nfs/dbraw/zinc/13/56/52/910135652.db2.gz CGPNJDGCLSNDMO-SQNIBIBYSA-N 1 1 397.450 3.764 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)cc1[N+](=O)[O-] ZINC000271162369 910800443 /nfs/dbraw/zinc/80/04/43/910800443.db2.gz SIIPOIIYNRPWMN-ZDUSSCGKSA-N 1 1 390.436 3.870 20 5 GHBDMO COc1c(O)ccc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC001182902845 912129539 /nfs/dbraw/zinc/12/95/39/912129539.db2.gz SQODAEHWDRCJKC-LJQANCHMSA-N 1 1 399.491 3.651 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000303575386 914956872 /nfs/dbraw/zinc/95/68/72/914956872.db2.gz NQGJLNOWAQKCTE-MRXNPFEDSA-N 1 1 393.365 3.618 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)c1 ZINC000796361752 914993826 /nfs/dbraw/zinc/99/38/26/914993826.db2.gz HQTYMLGCIUCLPP-DHIUTWEWSA-N 1 1 392.455 3.864 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)nc1 ZINC000303743140 915086514 /nfs/dbraw/zinc/08/65/14/915086514.db2.gz ZSXUDGDGFUSQQK-CYBMUJFWSA-N 1 1 382.342 3.575 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295128899 917159564 /nfs/dbraw/zinc/15/95/64/917159564.db2.gz KSWAGNLUHCVCIA-OXJNMPFZSA-N 1 1 384.480 3.594 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295128911 917159888 /nfs/dbraw/zinc/15/98/88/917159888.db2.gz KSWAGNLUHCVCIA-UZLBHIALSA-N 1 1 384.480 3.594 20 5 GHBDMO O=[N+]([O-])c1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000796442412 917331071 /nfs/dbraw/zinc/33/10/71/917331071.db2.gz FZTGOBVOGUEWEX-NRFANRHFSA-N 1 1 396.447 3.601 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc4ccc(Cl)cc4n3)C2)nc1 ZINC001191765664 918172909 /nfs/dbraw/zinc/17/29/09/918172909.db2.gz ZSAVXHPMPLRPJX-MRXNPFEDSA-N 1 1 383.839 3.878 20 5 GHBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000296824811 918803807 /nfs/dbraw/zinc/80/38/07/918803807.db2.gz GDPIULHUKUVHKO-ZDUSSCGKSA-N 1 1 399.441 3.928 20 5 GHBDMO CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000116590725 919511668 /nfs/dbraw/zinc/51/16/68/919511668.db2.gz ACBFCIXMCZYBSK-IBGZPJMESA-N 1 1 396.491 3.694 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000117334710 919537448 /nfs/dbraw/zinc/53/74/48/919537448.db2.gz RSMPWSAKSSZFRW-QGZVFWFLSA-N 1 1 385.395 3.869 20 5 GHBDMO CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000800466444 920134463 /nfs/dbraw/zinc/13/44/63/920134463.db2.gz ATZSISWTXOFUMX-UZLBHIALSA-N 1 1 385.464 3.758 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC2CC2)c(OC)c1 ZINC000800501704 920196538 /nfs/dbraw/zinc/19/65/38/920196538.db2.gz XYPNLUDEIXPUNN-HXUWFJFHSA-N 1 1 386.448 3.558 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000298744104 920876148 /nfs/dbraw/zinc/87/61/48/920876148.db2.gz SBOHLYOKYQEJGQ-SFHVURJKSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000298744104 920876162 /nfs/dbraw/zinc/87/61/62/920876162.db2.gz SBOHLYOKYQEJGQ-SFHVURJKSA-N 1 1 380.404 3.991 20 5 GHBDMO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)c1 ZINC000369828833 923653201 /nfs/dbraw/zinc/65/32/01/923653201.db2.gz HKOKVPKBCNEBIW-HOCLYGCPSA-N 1 1 394.435 3.596 20 5 GHBDMO Cc1cccc(-c2nnc([C@H](C)[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)c1 ZINC000369828833 923653209 /nfs/dbraw/zinc/65/32/09/923653209.db2.gz HKOKVPKBCNEBIW-HOCLYGCPSA-N 1 1 394.435 3.596 20 5 GHBDMO COc1ccc(-c2nc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cs2)cc1 ZINC000373231515 925954152 /nfs/dbraw/zinc/95/41/52/925954152.db2.gz AKQSWLUYMPHUHR-UHFFFAOYSA-N 1 1 399.476 3.761 20 5 GHBDMO O=CN1CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000827877411 926151867 /nfs/dbraw/zinc/15/18/67/926151867.db2.gz MYFILJSQMWLPQH-UHFFFAOYSA-N 1 1 389.839 3.705 20 5 GHBDMO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374782316 927515553 /nfs/dbraw/zinc/51/55/53/927515553.db2.gz UPEWHVVUEVJEKB-LJQANCHMSA-N 1 1 377.460 3.737 20 5 GHBDMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000751558982 928249161 /nfs/dbraw/zinc/24/91/61/928249161.db2.gz LPXWOLMGMVLELB-NQIIRXRSSA-N 1 1 397.475 3.902 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000752079052 928594937 /nfs/dbraw/zinc/59/49/37/928594937.db2.gz ZMGXCIMMIQZEHN-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000752079052 928594947 /nfs/dbraw/zinc/59/49/47/928594947.db2.gz ZMGXCIMMIQZEHN-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000752352446 928787830 /nfs/dbraw/zinc/78/78/30/928787830.db2.gz GXMMNXZTGALFKA-FQEVSTJZSA-N 1 1 382.416 3.802 20 5 GHBDMO C[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544399671 929132679 /nfs/dbraw/zinc/13/26/79/929132679.db2.gz PHJQQWDXRIOKSA-APWZRJJASA-N 1 1 399.466 3.960 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467696733 929312066 /nfs/dbraw/zinc/31/20/66/929312066.db2.gz JOUHELFJYBWHNQ-PBHICJAKSA-N 1 1 385.489 3.710 20 5 GHBDMO CC[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757111458 929650180 /nfs/dbraw/zinc/65/01/80/929650180.db2.gz QQSKKNRYSQFXKG-CRAIPNDOSA-N 1 1 393.484 3.599 20 5 GHBDMO CC[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757113518 929652773 /nfs/dbraw/zinc/65/27/73/929652773.db2.gz YMBJNCGSGWFJIG-BBRMVZONSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757113518 929652774 /nfs/dbraw/zinc/65/27/74/929652774.db2.gz YMBJNCGSGWFJIG-BBRMVZONSA-N 1 1 381.448 3.859 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000758781884 930165634 /nfs/dbraw/zinc/16/56/34/930165634.db2.gz YGGWFQWAMZZSLV-LSDHHAIUSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1ccc(Br)c(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000759651892 930439497 /nfs/dbraw/zinc/43/94/97/930439497.db2.gz GOEYTZCYEOORTP-KRWDZBQOSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc(Br)c(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000759651892 930439501 /nfs/dbraw/zinc/43/95/01/930439501.db2.gz GOEYTZCYEOORTP-KRWDZBQOSA-N 1 1 395.253 3.531 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000470864727 930980558 /nfs/dbraw/zinc/98/05/58/930980558.db2.gz BYPVFGIFBFKYTP-SFHVURJKSA-N 1 1 393.487 3.994 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000796678013 932027806 /nfs/dbraw/zinc/02/78/06/932027806.db2.gz GMJPJHYDDIWMNV-KRWDZBQOSA-N 1 1 391.468 3.627 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000796678013 932027814 /nfs/dbraw/zinc/02/78/14/932027814.db2.gz GMJPJHYDDIWMNV-KRWDZBQOSA-N 1 1 391.468 3.627 20 5 GHBDMO CC(C)O[C@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000797287685 932240838 /nfs/dbraw/zinc/24/08/38/932240838.db2.gz VBWZBGCCPVNSOY-SFTDATJTSA-N 1 1 398.459 3.879 20 5 GHBDMO CC(C)O[C@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000797287685 932240843 /nfs/dbraw/zinc/24/08/43/932240843.db2.gz VBWZBGCCPVNSOY-SFTDATJTSA-N 1 1 398.459 3.879 20 5 GHBDMO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000797840821 932427246 /nfs/dbraw/zinc/42/72/46/932427246.db2.gz PVBRQTMDLPHEBD-INIZCTEOSA-N 1 1 392.456 3.513 20 5 GHBDMO CSc1ccc(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000798522785 932686340 /nfs/dbraw/zinc/68/63/40/932686340.db2.gz BZBCFHHTBCKGHD-OAQYLSRUSA-N 1 1 399.516 3.959 20 5 GHBDMO C[C@]1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798526873 932691280 /nfs/dbraw/zinc/69/12/80/932691280.db2.gz JBQYSAIEMAJLOC-JOCHJYFZSA-N 1 1 393.443 3.983 20 5 GHBDMO C[C@]1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000799013646 932851978 /nfs/dbraw/zinc/85/19/78/932851978.db2.gz VHLDQHPUSFYJJG-JOCHJYFZSA-N 1 1 392.459 3.718 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)o2)cc1 ZINC000559959523 932981251 /nfs/dbraw/zinc/98/12/51/932981251.db2.gz WPNQKJMTZXXOKJ-SUMWQHHRSA-N 1 1 384.354 3.990 20 5 GHBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1OCCc2ccccc21 ZINC000560026004 933023721 /nfs/dbraw/zinc/02/37/21/933023721.db2.gz BJKITAHLWSZSJJ-FQEVSTJZSA-N 1 1 379.416 3.996 20 5 GHBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1OCCc2ccccc21 ZINC000560026004 933023726 /nfs/dbraw/zinc/02/37/26/933023726.db2.gz BJKITAHLWSZSJJ-FQEVSTJZSA-N 1 1 379.416 3.996 20 5 GHBDMO Cc1cccc(O[C@H](C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000560528544 933312930 /nfs/dbraw/zinc/31/29/30/933312930.db2.gz HODMLISLFIEACJ-OXQOHEQNSA-N 1 1 380.448 3.783 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001116326039 933482659 /nfs/dbraw/zinc/48/26/59/933482659.db2.gz MSRYWTZSNLRRRC-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO CCC[N@@H+](C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000560708921 933483754 /nfs/dbraw/zinc/48/37/54/933483754.db2.gz OEKNWANFYKYFJV-IBGZPJMESA-N 1 1 389.883 3.990 20 5 GHBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561269684 934005418 /nfs/dbraw/zinc/00/54/18/934005418.db2.gz SKQRCNPIUAQUHO-NSHDSACASA-N 1 1 375.479 3.544 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000930708901 934197756 /nfs/dbraw/zinc/19/77/56/934197756.db2.gz FAZBTRPJQIVYPU-UHFFFAOYSA-N 1 1 377.242 3.527 20 5 GHBDMO CCC[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000777957621 934383887 /nfs/dbraw/zinc/38/38/87/934383887.db2.gz UQVDBSNXLYIWHT-XUVXKRRUSA-N 1 1 384.480 3.941 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@H]1c1ccc(F)cc1 ZINC001137563854 935588374 /nfs/dbraw/zinc/58/83/74/935588374.db2.gz AKZROMWKFUWOQH-VQTJNVASSA-N 1 1 397.450 3.717 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@H]1c1ccc(F)cc1 ZINC001137563854 935588376 /nfs/dbraw/zinc/58/83/76/935588376.db2.gz AKZROMWKFUWOQH-VQTJNVASSA-N 1 1 397.450 3.717 20 5 GHBDMO Nc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)cc1[N+](=O)[O-] ZINC000544931519 1015233894 /nfs/dbraw/zinc/23/38/94/1015233894.db2.gz PLFFLLLNRQKNPR-OAHLLOKOSA-N 1 1 397.410 3.746 20 5 GHBDMO COc1cc(OC)cc(N2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000468146723 1015333150 /nfs/dbraw/zinc/33/31/50/1015333150.db2.gz WCHZTACDFRDGBK-INIZCTEOSA-N 1 1 385.464 3.885 20 5 GHBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000468490388 1015749260 /nfs/dbraw/zinc/74/92/60/1015749260.db2.gz YVKUVIXJQADSKB-GOSISDBHSA-N 1 1 395.478 3.671 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001226804984 1032135504 /nfs/dbraw/zinc/13/55/04/1032135504.db2.gz UZMVEWKJKSDUFB-VLIAUNLRSA-N 1 1 396.422 3.967 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000470954095 1016928180 /nfs/dbraw/zinc/92/81/80/1016928180.db2.gz WBYYDJORCSABGU-SCZZXKLOSA-N 1 1 384.301 3.978 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000470954095 1016928184 /nfs/dbraw/zinc/92/81/84/1016928184.db2.gz WBYYDJORCSABGU-SCZZXKLOSA-N 1 1 384.301 3.978 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001227044613 1032250042 /nfs/dbraw/zinc/25/00/42/1032250042.db2.gz OYWWBKWLALCVNF-DNVCBOLYSA-N 1 1 384.432 3.671 20 5 GHBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001155093115 1032411545 /nfs/dbraw/zinc/41/15/45/1032411545.db2.gz YFAOYJXAPIHZAD-IBGZPJMESA-N 1 1 395.850 3.611 20 5 GHBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001155093115 1032411550 /nfs/dbraw/zinc/41/15/50/1032411550.db2.gz YFAOYJXAPIHZAD-IBGZPJMESA-N 1 1 395.850 3.611 20 5 GHBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001155093116 1032411764 /nfs/dbraw/zinc/41/17/64/1032411764.db2.gz YFAOYJXAPIHZAD-LJQANCHMSA-N 1 1 395.850 3.611 20 5 GHBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001155093116 1032411771 /nfs/dbraw/zinc/41/17/71/1032411771.db2.gz YFAOYJXAPIHZAD-LJQANCHMSA-N 1 1 395.850 3.611 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1cccc2ccccc21 ZINC000558741482 1017276750 /nfs/dbraw/zinc/27/67/50/1017276750.db2.gz JGDLMONLFPLQAC-HXUWFJFHSA-N 1 1 380.444 3.662 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1cccc2ccccc21 ZINC000558741480 1017276884 /nfs/dbraw/zinc/27/68/84/1017276884.db2.gz JGDLMONLFPLQAC-FQEVSTJZSA-N 1 1 380.444 3.662 20 5 GHBDMO Cc1cc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000575098566 1019923988 /nfs/dbraw/zinc/92/39/88/1019923988.db2.gz OMDSTEIYVSZQNW-RBUKOAKNSA-N 1 1 394.475 3.889 20 5 GHBDMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000576656287 1020048852 /nfs/dbraw/zinc/04/88/52/1020048852.db2.gz RLNWESQMYAYDHL-HNNXBMFYSA-N 1 1 382.258 3.703 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])cc1 ZINC000303439932 1021138346 /nfs/dbraw/zinc/13/83/46/1021138346.db2.gz BUGFQEVWSFMTCB-HNNXBMFYSA-N 1 1 385.489 3.736 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000801572653 1021413476 /nfs/dbraw/zinc/41/34/76/1021413476.db2.gz HYCLNDAFUCSIDP-GOSISDBHSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000801572653 1021413482 /nfs/dbraw/zinc/41/34/82/1021413482.db2.gz HYCLNDAFUCSIDP-GOSISDBHSA-N 1 1 383.876 3.985 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000755135701 1023089001 /nfs/dbraw/zinc/08/90/01/1023089001.db2.gz ZPTVCKDHYITCLU-MAUKXSAKSA-N 1 1 395.793 3.588 20 5 GHBDMO O=C(C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000756001246 1023473210 /nfs/dbraw/zinc/47/32/10/1023473210.db2.gz XISRVLUBMBGXHO-ZDUSSCGKSA-N 1 1 377.803 3.815 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000756001246 1023473225 /nfs/dbraw/zinc/47/32/25/1023473225.db2.gz XISRVLUBMBGXHO-ZDUSSCGKSA-N 1 1 377.803 3.815 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000830958712 1024274900 /nfs/dbraw/zinc/27/49/00/1024274900.db2.gz WVODEEZHRHYWLN-KBEZCGTCSA-N 1 1 395.887 3.591 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000830958712 1024274919 /nfs/dbraw/zinc/27/49/19/1024274919.db2.gz WVODEEZHRHYWLN-KBEZCGTCSA-N 1 1 395.887 3.591 20 5 GHBDMO CC(C)(C)[N@H+]1CCN[C@@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001205025211 1033218365 /nfs/dbraw/zinc/21/83/65/1033218365.db2.gz KSVOWRHCGZLIOW-QGZVFWFLSA-N 1 1 388.475 3.578 20 5 GHBDMO Cc1nc(Cl)nc(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC001161182971 1025106126 /nfs/dbraw/zinc/10/61/26/1025106126.db2.gz MLQHITIDTQLEJV-ZDUSSCGKSA-N 1 1 382.251 3.686 20 5 GHBDMO Cc1nc(Cl)nc(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC001161182971 1025106131 /nfs/dbraw/zinc/10/61/31/1025106131.db2.gz MLQHITIDTQLEJV-ZDUSSCGKSA-N 1 1 382.251 3.686 20 5 GHBDMO CC(C)(C)OC(=O)c1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC001205155727 1033277329 /nfs/dbraw/zinc/27/73/29/1033277329.db2.gz DOVFJBYTXQIRRY-UHFFFAOYSA-N 1 1 397.475 3.872 20 5 GHBDMO OC[C@H]1C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@@H]1O ZINC001138810927 1025404421 /nfs/dbraw/zinc/40/44/21/1025404421.db2.gz RIMJWHICVUGWQR-PEBXRYMYSA-N 1 1 385.467 3.741 20 5 GHBDMO O=[N+]([O-])c1cc(Br)cnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001162221915 1025675794 /nfs/dbraw/zinc/67/57/94/1025675794.db2.gz TZOCHHBYKDATMY-UHFFFAOYSA-N 1 1 397.317 3.845 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(NCC[C@H](C)[N@@H+](C)Cc3ccccc3)c2c1 ZINC001162707490 1025885319 /nfs/dbraw/zinc/88/53/19/1025885319.db2.gz YSDILHMMHXHBQR-INIZCTEOSA-N 1 1 394.475 3.896 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839535893 1026025542 /nfs/dbraw/zinc/02/55/42/1026025542.db2.gz KEQYGSRZUORYAE-CYBMUJFWSA-N 1 1 399.285 3.769 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839535893 1026025568 /nfs/dbraw/zinc/02/55/68/1026025568.db2.gz KEQYGSRZUORYAE-CYBMUJFWSA-N 1 1 399.285 3.769 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1Br ZINC000839537510 1026027560 /nfs/dbraw/zinc/02/75/60/1026027560.db2.gz XVEOKGYQQDELHZ-ZIAGYGMSSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1Br ZINC000839551782 1026049951 /nfs/dbraw/zinc/04/99/51/1026049951.db2.gz CZDWPTSJMBWLRD-AWEZNQCLSA-N 1 1 376.254 3.817 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)C1 ZINC001163119876 1026053220 /nfs/dbraw/zinc/05/32/20/1026053220.db2.gz XCCOAAIUBZVEBX-KRWDZBQOSA-N 1 1 398.894 3.542 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000839677530 1026192053 /nfs/dbraw/zinc/19/20/53/1026192053.db2.gz VDMGPUQRFQJLPP-IBGZPJMESA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000839677530 1026192060 /nfs/dbraw/zinc/19/20/60/1026192060.db2.gz VDMGPUQRFQJLPP-IBGZPJMESA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001141706406 1026303925 /nfs/dbraw/zinc/30/39/25/1026303925.db2.gz FWAAEASEBZQVIA-SFTDATJTSA-N 1 1 381.476 3.855 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001164480234 1026522922 /nfs/dbraw/zinc/52/29/22/1026522922.db2.gz OZOISILQTDCBGL-BZUAXINKSA-N 1 1 385.439 3.857 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)nc1-c1ccncc1 ZINC000840079870 1027150606 /nfs/dbraw/zinc/15/06/06/1027150606.db2.gz PHBZJTWYJZAVQQ-MRXNPFEDSA-N 1 1 383.839 3.954 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)nc1-c1ccncc1 ZINC000840079870 1027150616 /nfs/dbraw/zinc/15/06/16/1027150616.db2.gz PHBZJTWYJZAVQQ-MRXNPFEDSA-N 1 1 383.839 3.954 20 5 GHBDMO Cc1nn(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000840118587 1027234883 /nfs/dbraw/zinc/23/48/83/1027234883.db2.gz HANNUZRGJSQSOD-UHFFFAOYSA-N 1 1 395.467 3.562 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000840118587 1027234905 /nfs/dbraw/zinc/23/49/05/1027234905.db2.gz HANNUZRGJSQSOD-UHFFFAOYSA-N 1 1 395.467 3.562 20 5 GHBDMO Cc1c(Nc2c[nH+]c3ccc(Br)cn23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211292731 1027894882 /nfs/dbraw/zinc/89/48/82/1027894882.db2.gz RKRRYNSWFFHQBI-UHFFFAOYSA-N 1 1 392.169 3.965 20 5 GHBDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCOCC1 ZINC000843414305 1029986779 /nfs/dbraw/zinc/98/67/79/1029986779.db2.gz ZXMOCSUSVYUWKF-UHFFFAOYSA-N 1 1 398.887 3.961 20 5 GHBDMO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@]1(O)CCc2ccccc21 ZINC000843420284 1029994435 /nfs/dbraw/zinc/99/44/35/1029994435.db2.gz AYXYOLIFOVBUKH-NRFANRHFSA-N 1 1 395.484 3.984 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cccc2c1OCC2 ZINC001149181365 1030081841 /nfs/dbraw/zinc/08/18/41/1030081841.db2.gz MNCABKSOTIKJGY-UHFFFAOYSA-N 1 1 399.450 3.878 20 5 GHBDMO Cc1c(NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC001217195168 1030227800 /nfs/dbraw/zinc/22/78/00/1030227800.db2.gz XCMOSMBPJRVDRL-CYBMUJFWSA-N 1 1 399.289 3.612 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(COC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)nc2c1 ZINC001222930750 1030355019 /nfs/dbraw/zinc/35/50/19/1030355019.db2.gz ZSTVJPPSQMNFJT-SFHVURJKSA-N 1 1 397.431 3.544 20 5 GHBDMO CC[N@@H+](C)[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001150280197 1030476592 /nfs/dbraw/zinc/47/65/92/1030476592.db2.gz JGMAIVFTMXZHPU-QGZVFWFLSA-N 1 1 379.819 3.697 20 5 GHBDMO COC(=O)C1=C[C@@H](O[C@H](C)c2cccc([N+](=O)[O-])c2)C[N@@H+](Cc2ccccc2)C1 ZINC001223427340 1030569583 /nfs/dbraw/zinc/56/95/83/1030569583.db2.gz LKPJSHFCGWVWEK-IIBYNOLFSA-N 1 1 396.443 3.656 20 5 GHBDMO COC(=O)c1cccc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001223662179 1030691420 /nfs/dbraw/zinc/69/14/20/1030691420.db2.gz CORIBKYSLSDKQK-OXJNMPFZSA-N 1 1 398.459 3.809 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001150960684 1030724533 /nfs/dbraw/zinc/72/45/33/1030724533.db2.gz IGJHHBDVGJZWPQ-CABCVRRESA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001150960684 1030724551 /nfs/dbraw/zinc/72/45/51/1030724551.db2.gz IGJHHBDVGJZWPQ-CABCVRRESA-N 1 1 387.867 3.983 20 5 GHBDMO COC(=O)C1=C[C@@H](O[C@H](C)c2ccc([N+](=O)[O-])cc2)C[N@@H+](Cc2ccccc2)C1 ZINC001224023031 1030853105 /nfs/dbraw/zinc/85/31/05/1030853105.db2.gz TWRSJEWFLMQDJT-IIBYNOLFSA-N 1 1 396.443 3.656 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@H]2C[NH2+][C@H]2C)c2c(=O)c3cccc(O)c3oc12 ZINC001218389237 1030916349 /nfs/dbraw/zinc/91/63/49/1030916349.db2.gz WXCJFZHBPUWFIF-SGTLLEGYSA-N 1 1 381.428 3.605 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225895138 1031681053 /nfs/dbraw/zinc/68/10/53/1031681053.db2.gz PHOMUGNSOCPPMY-SJCJKPOMSA-N 1 1 375.356 3.541 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229361885 1033438554 /nfs/dbraw/zinc/43/85/54/1033438554.db2.gz PPAOHFZYPYWZAQ-AUUYWEPGSA-N 1 1 394.431 3.533 20 5 GHBDMO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001205551007 1033465983 /nfs/dbraw/zinc/46/59/83/1033465983.db2.gz IBNQXXZFBHIHPC-UHFFFAOYSA-N 1 1 376.420 3.563 20 5 GHBDMO Cc1cc(NC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cn2cc[nH+]c12 ZINC001205708642 1033541243 /nfs/dbraw/zinc/54/12/43/1033541243.db2.gz WLXNODHUOXPHQG-UHFFFAOYSA-N 1 1 377.364 3.585 20 5 GHBDMO C[C@@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001230216223 1033947789 /nfs/dbraw/zinc/94/77/89/1033947789.db2.gz CGRYBKDUMJSFDU-JFIYKMOQSA-N 1 1 382.464 3.618 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001158521884 1034125450 /nfs/dbraw/zinc/12/54/50/1034125450.db2.gz PMWMATQOMHJDQG-HZPDHXFCSA-N 1 1 377.448 3.637 20 5 GHBDMO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001230602265 1034142996 /nfs/dbraw/zinc/14/29/96/1034142996.db2.gz YHUNWDAVJOJXKW-RIFZZMRRSA-N 1 1 378.432 3.761 20 5 GHBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001230602265 1034143000 /nfs/dbraw/zinc/14/30/00/1034143000.db2.gz YHUNWDAVJOJXKW-RIFZZMRRSA-N 1 1 378.432 3.761 20 5 GHBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001230602265 1034143003 /nfs/dbraw/zinc/14/30/03/1034143003.db2.gz YHUNWDAVJOJXKW-RIFZZMRRSA-N 1 1 378.432 3.761 20 5 GHBDMO Cc1cc(Nc2ccc3cc4ccc(N)cc4nc3c2)cnc1N1CC[NH2+]CC1 ZINC001159700125 1034716457 /nfs/dbraw/zinc/71/64/57/1034716457.db2.gz FFBHWTUTQWXFCG-UHFFFAOYSA-N 1 1 384.487 3.827 20 5 GHBDMO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232220081 1035169333 /nfs/dbraw/zinc/16/93/33/1035169333.db2.gz IUPIUGMUBGAWCO-IBGZPJMESA-N 1 1 387.487 3.745 20 5 GHBDMO CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232220081 1035169335 /nfs/dbraw/zinc/16/93/35/1035169335.db2.gz IUPIUGMUBGAWCO-IBGZPJMESA-N 1 1 387.487 3.745 20 5 GHBDMO CCN(C)c1ncnc2c1CC[N@@H+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232221448 1035169372 /nfs/dbraw/zinc/16/93/72/1035169372.db2.gz ZKNQHCPUBHVSNN-UHFFFAOYSA-N 1 1 398.514 3.630 20 5 GHBDMO Cc1nccnc1O[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232228662 1035173176 /nfs/dbraw/zinc/17/31/76/1035173176.db2.gz UEJDPYFLLROAAR-HXUWFJFHSA-N 1 1 385.471 3.925 20 5 GHBDMO Cc1nccnc1O[C@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232228661 1035173272 /nfs/dbraw/zinc/17/32/72/1035173272.db2.gz UEJDPYFLLROAAR-FQEVSTJZSA-N 1 1 385.471 3.925 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001248210164 1035640651 /nfs/dbraw/zinc/64/06/51/1035640651.db2.gz LHLLTTAUPBAJBV-AWEZNQCLSA-N 1 1 380.738 3.819 20 5 GHBDMO Cc1cc2ccccc2nc1-c1noc([C@H]([NH3+])Cc2cccc([N+](=O)[O-])c2)n1 ZINC001248209625 1035641162 /nfs/dbraw/zinc/64/11/62/1035641162.db2.gz RVFFSMVXVDSIRV-MRXNPFEDSA-N 1 1 375.388 3.744 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001248210028 1035641220 /nfs/dbraw/zinc/64/12/20/1035641220.db2.gz JVMXDWYFGWSNFA-INIZCTEOSA-N 1 1 377.360 3.542 20 5 GHBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001462123067 1070013402 /nfs/dbraw/zinc/01/34/02/1070013402.db2.gz YQQZYHBBDUYGSE-IBGZPJMESA-N 1 1 397.475 3.535 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CCN[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001246810336 1037645328 /nfs/dbraw/zinc/64/53/28/1037645328.db2.gz KNFXOHKMUYEING-IFXJQAMLSA-N 1 1 389.883 3.834 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCN[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001246810336 1037645336 /nfs/dbraw/zinc/64/53/36/1037645336.db2.gz KNFXOHKMUYEING-IFXJQAMLSA-N 1 1 389.883 3.834 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001247665840 1038302814 /nfs/dbraw/zinc/30/28/14/1038302814.db2.gz JSULXSGDFKXXEU-ZDUSSCGKSA-N 1 1 380.738 3.819 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC001233701784 1039548456 /nfs/dbraw/zinc/54/84/56/1039548456.db2.gz GTHUNRDHPDEJAI-IGOJGBNBSA-N 1 1 383.404 3.792 20 5 GHBDMO Cc1ccc(N2CCC[C@@H](Oc3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)[nH+]c1 ZINC001233749233 1039587760 /nfs/dbraw/zinc/58/77/60/1039587760.db2.gz DGSKDWGSCANLLO-GFCCVEGCSA-N 1 1 382.342 3.760 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001253957153 1039922254 /nfs/dbraw/zinc/92/22/54/1039922254.db2.gz WBROAUPVVZYPHO-QGZVFWFLSA-N 1 1 398.507 3.596 20 5 GHBDMO CCOc1ccc([C@@H](C)NCc2ccccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001253957153 1039922260 /nfs/dbraw/zinc/92/22/60/1039922260.db2.gz WBROAUPVVZYPHO-QGZVFWFLSA-N 1 1 398.507 3.596 20 5 GHBDMO COc1cc2c(cc1OC)C[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC001254478808 1040267081 /nfs/dbraw/zinc/26/70/81/1040267081.db2.gz JXMBMDQTMWHNDN-UHFFFAOYSA-N 1 1 397.475 3.639 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001254551763 1040318541 /nfs/dbraw/zinc/31/85/41/1040318541.db2.gz FIDTZGXKKFCLCG-HJWJTTGWSA-N 1 1 375.469 3.513 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001254551758 1040318979 /nfs/dbraw/zinc/31/89/79/1040318979.db2.gz FGJDVDZXAUTHNP-WBVHZDCISA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001254553548 1040322507 /nfs/dbraw/zinc/32/25/07/1040322507.db2.gz XGTDDZJEUOGXIJ-BPQIPLTHSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001254557406 1040329100 /nfs/dbraw/zinc/32/91/00/1040329100.db2.gz PWOSNFAEFZQTLJ-HNNXBMFYSA-N 1 1 394.431 3.546 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001254557406 1040329114 /nfs/dbraw/zinc/32/91/14/1040329114.db2.gz PWOSNFAEFZQTLJ-HNNXBMFYSA-N 1 1 394.431 3.546 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(CC3CC3)nc21 ZINC001254560360 1040331295 /nfs/dbraw/zinc/33/12/95/1040331295.db2.gz FLRGDKWEPVPRPL-JXFKEZNVSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001254562104 1040333962 /nfs/dbraw/zinc/33/39/62/1040333962.db2.gz JOMGSMFDMRTEHZ-DGCLKSJQSA-N 1 1 384.358 3.807 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccncc1 ZINC001254590027 1040362402 /nfs/dbraw/zinc/36/24/02/1040362402.db2.gz STUVZZSIHHOJRJ-AVRDEDQJSA-N 1 1 399.454 3.723 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3CCC[C@@]3(COCc3cccnc3)C1)C2 ZINC001254594831 1040367229 /nfs/dbraw/zinc/36/72/29/1040367229.db2.gz GEJNCDWGJNJTGB-PUHATCMVSA-N 1 1 393.487 3.776 20 5 GHBDMO C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600601 1040370916 /nfs/dbraw/zinc/37/09/16/1040370916.db2.gz SPIJLAXAKLFBSP-OGWOLHLISA-N 1 1 389.496 3.687 20 5 GHBDMO Cc1csc([C@H]2C[C@@H]3CC[N@H+]([C@@H]4Cc5ccc([N+](=O)[O-])cc5C4)C[C@H]3O2)n1 ZINC001254598276 1040371467 /nfs/dbraw/zinc/37/14/67/1040371467.db2.gz VMWQWWDPVLYZJJ-JEDBISTDSA-N 1 1 385.489 3.679 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605543 1040376535 /nfs/dbraw/zinc/37/65/35/1040376535.db2.gz BGEMEAWWKXEBIA-DGWCAWEPSA-N 1 1 393.531 3.957 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612377 1040384667 /nfs/dbraw/zinc/38/46/67/1040384667.db2.gz VSUGXHPETBLRIQ-WIYYLYMNSA-N 1 1 389.496 3.689 20 5 GHBDMO Cc1cc(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)ccc1[N+](=O)[O-] ZINC001255425757 1041021808 /nfs/dbraw/zinc/02/18/08/1041021808.db2.gz AJIMGIBWAPQGQH-SFHVURJKSA-N 1 1 378.432 3.867 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1F ZINC001255478431 1041077193 /nfs/dbraw/zinc/07/71/93/1041077193.db2.gz LYACJLFCBILPAU-CYBMUJFWSA-N 1 1 386.358 3.913 20 5 GHBDMO O=[N+]([O-])c1cc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c(F)cc1F ZINC001255477453 1041077382 /nfs/dbraw/zinc/07/73/82/1041077382.db2.gz FHYLQOIDEGASGS-CYBMUJFWSA-N 1 1 386.358 3.913 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(F)cc1-c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255478069 1041078046 /nfs/dbraw/zinc/07/80/46/1041078046.db2.gz JUYQAPSATVTBFW-CYBMUJFWSA-N 1 1 386.358 3.913 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c([N+](=O)[O-])c1 ZINC001255488621 1041086412 /nfs/dbraw/zinc/08/64/12/1041086412.db2.gz ZHEXWJVTTSGUKV-AWEZNQCLSA-N 1 1 395.375 3.543 20 5 GHBDMO Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001293341520 1044124413 /nfs/dbraw/zinc/12/44/13/1044124413.db2.gz OKOXISRDEVIOKB-GBESFXJTSA-N 1 1 380.448 3.505 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000843776643 1047083933 /nfs/dbraw/zinc/08/39/33/1047083933.db2.gz SXOCJXRWXYICQM-KRWDZBQOSA-N 1 1 385.439 3.827 20 5 GHBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001303270145 1047332083 /nfs/dbraw/zinc/33/20/83/1047332083.db2.gz HELGHHWDLNLFOK-QFBILLFUSA-N 1 1 398.511 3.572 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001266224082 1047718527 /nfs/dbraw/zinc/71/85/27/1047718527.db2.gz BYTGUIBFWCYZRG-GJZGRUSLSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001266224082 1047718531 /nfs/dbraw/zinc/71/85/31/1047718531.db2.gz BYTGUIBFWCYZRG-GJZGRUSLSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001266227185 1047720119 /nfs/dbraw/zinc/72/01/19/1047720119.db2.gz XSNWYQGHGBKUQR-WOSNLTMFSA-N 1 1 393.487 3.820 20 5 GHBDMO Cc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1CC[N@H+](C)C1CCCC1 ZINC001304803905 1047774480 /nfs/dbraw/zinc/77/44/80/1047774480.db2.gz IUTSPSPLODGYHE-UHFFFAOYSA-N 1 1 398.511 3.538 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001287715959 1048901766 /nfs/dbraw/zinc/90/17/66/1048901766.db2.gz OFUREMJFSJPHFJ-HXUWFJFHSA-N 1 1 381.476 3.698 20 5 GHBDMO CC(C)Oc1nc(Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC001306962022 1048981216 /nfs/dbraw/zinc/98/12/16/1048981216.db2.gz NCXIERAXQGTYBE-OAHLLOKOSA-N 1 1 386.452 3.914 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC001307421786 1049260377 /nfs/dbraw/zinc/26/03/77/1049260377.db2.gz JVSNLUQTRAJEHY-GOSISDBHSA-N 1 1 375.469 3.977 20 5 GHBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(C(C)(C)C)CC1 ZINC001307433583 1049272114 /nfs/dbraw/zinc/27/21/14/1049272114.db2.gz KFSILBZPLSEDQD-UHFFFAOYSA-N 1 1 382.526 3.905 20 5 GHBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(C(C)(C)C)CC1 ZINC001307433583 1049272129 /nfs/dbraw/zinc/27/21/29/1049272129.db2.gz KFSILBZPLSEDQD-UHFFFAOYSA-N 1 1 382.526 3.905 20 5 GHBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001307725644 1049539289 /nfs/dbraw/zinc/53/92/89/1049539289.db2.gz YIPBHDHAPGNJSN-QGZVFWFLSA-N 1 1 399.285 3.769 20 5 GHBDMO CC[N@H+](CCOC)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001307758523 1049572977 /nfs/dbraw/zinc/57/29/77/1049572977.db2.gz RDQPSIVZJPSBLV-SFHVURJKSA-N 1 1 391.855 3.896 20 5 GHBDMO CC[N@@H+](CCOC)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001307758523 1049572989 /nfs/dbraw/zinc/57/29/89/1049572989.db2.gz RDQPSIVZJPSBLV-SFHVURJKSA-N 1 1 391.855 3.896 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307817869 1049612913 /nfs/dbraw/zinc/61/29/13/1049612913.db2.gz NAPQIBDRXIKLKX-DZGCQCFKSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCN[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001307840360 1049626384 /nfs/dbraw/zinc/62/63/84/1049626384.db2.gz BGMVULKLWKGCNJ-OZVIIMIRSA-N 1 1 377.382 3.905 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001308022786 1049774097 /nfs/dbraw/zinc/77/40/97/1049774097.db2.gz RXCRLZLUWNQZEY-WBVHZDCISA-N 1 1 375.469 3.816 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCC[C@H](CF)C1 ZINC001308034421 1049785810 /nfs/dbraw/zinc/78/58/10/1049785810.db2.gz JWJBLNWXLKMRFS-QWHCGFSZSA-N 1 1 392.456 3.727 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCC[C@H](CF)C1 ZINC001308034421 1049785813 /nfs/dbraw/zinc/78/58/13/1049785813.db2.gz JWJBLNWXLKMRFS-QWHCGFSZSA-N 1 1 392.456 3.727 20 5 GHBDMO O=C(CC[N@H+]1CCCC[C@H](C2CCOCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001308039452 1049790441 /nfs/dbraw/zinc/79/04/41/1049790441.db2.gz PXJQPTQCWRFAIM-INIZCTEOSA-N 1 1 393.459 3.591 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001308053962 1049801092 /nfs/dbraw/zinc/80/10/92/1049801092.db2.gz BLLGDUDWBHLFLZ-CABCVRRESA-N 1 1 385.468 3.648 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001308053962 1049801101 /nfs/dbraw/zinc/80/11/01/1049801101.db2.gz BLLGDUDWBHLFLZ-CABCVRRESA-N 1 1 385.468 3.648 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC001290986476 1049964989 /nfs/dbraw/zinc/96/49/89/1049964989.db2.gz CXWQWORSDDUBTQ-UHFFFAOYSA-N 1 1 385.811 3.709 20 5 GHBDMO CC(=O)NCc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC001308861124 1050128192 /nfs/dbraw/zinc/12/81/92/1050128192.db2.gz WNCDXZXHLSRYHS-UHFFFAOYSA-N 1 1 382.247 3.828 20 5 GHBDMO Cc1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cc1[N+](=O)[O-] ZINC001308904479 1050152381 /nfs/dbraw/zinc/15/23/81/1050152381.db2.gz WSWCJAHTEQNOHA-UHFFFAOYSA-N 1 1 386.227 3.925 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[NH+](Cc4cccs4)CC3)c2c1 ZINC001330621909 1051043215 /nfs/dbraw/zinc/04/32/15/1051043215.db2.gz OKUBTWRBGGHJPL-UHFFFAOYSA-N 1 1 389.868 3.575 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[N@@H+](C)Cc1ccccc1 ZINC001311021499 1051779214 /nfs/dbraw/zinc/77/92/14/1051779214.db2.gz VRMBMIYUNPIIHY-OAHLLOKOSA-N 1 1 393.447 3.785 20 5 GHBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC001337025387 1052380153 /nfs/dbraw/zinc/38/01/53/1052380153.db2.gz FMGWCSJZYYZKCW-CQSZACIVSA-N 1 1 385.489 3.814 20 5 GHBDMO C[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001312253727 1052662076 /nfs/dbraw/zinc/66/20/76/1052662076.db2.gz LWLUVPHXNALMJC-LMMKCTJWSA-N 1 1 396.491 3.661 20 5 GHBDMO C[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001313350706 1053027406 /nfs/dbraw/zinc/02/74/06/1053027406.db2.gz GGPOOMWULQQDPZ-ZWKOTPCHSA-N 1 1 396.491 3.614 20 5 GHBDMO C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001313350706 1053027411 /nfs/dbraw/zinc/02/74/11/1053027411.db2.gz GGPOOMWULQQDPZ-ZWKOTPCHSA-N 1 1 396.491 3.614 20 5 GHBDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C1CC1 ZINC001313446800 1053057384 /nfs/dbraw/zinc/05/73/84/1053057384.db2.gz FVLPGGBTPGMSDP-IBGZPJMESA-N 1 1 398.511 3.716 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC001317856548 1054281055 /nfs/dbraw/zinc/28/10/55/1054281055.db2.gz YBVOYFCOPPHNDJ-MRXNPFEDSA-N 1 1 396.491 3.941 20 5 GHBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001320700027 1055933498 /nfs/dbraw/zinc/93/34/98/1055933498.db2.gz XDQWZUDNJFCPQL-CQSZACIVSA-N 1 1 380.828 3.746 20 5 GHBDMO C[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001321739728 1056381241 /nfs/dbraw/zinc/38/12/41/1056381241.db2.gz XKIJRGAMKNHRGX-CYBMUJFWSA-N 1 1 379.254 3.740 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC001324716975 1057210194 /nfs/dbraw/zinc/21/01/94/1057210194.db2.gz UOBLWTQKILQEFH-AWEZNQCLSA-N 1 1 396.447 3.868 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001326597213 1057519957 /nfs/dbraw/zinc/51/99/57/1057519957.db2.gz SWQRZAONCZVBKI-ZYJGPIPZSA-N 1 1 395.503 3.804 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001326597213 1057519963 /nfs/dbraw/zinc/51/99/63/1057519963.db2.gz SWQRZAONCZVBKI-ZYJGPIPZSA-N 1 1 395.503 3.804 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001326597213 1057519968 /nfs/dbraw/zinc/51/99/68/1057519968.db2.gz SWQRZAONCZVBKI-ZYJGPIPZSA-N 1 1 395.503 3.804 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001442225958 1058935681 /nfs/dbraw/zinc/93/56/81/1058935681.db2.gz QEPHGKUIONHXSC-AWEZNQCLSA-N 1 1 381.904 3.808 20 5 GHBDMO CC[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001447513345 1059975640 /nfs/dbraw/zinc/97/56/40/1059975640.db2.gz SDQYSDRKTINTFN-INIZCTEOSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001447513345 1059975644 /nfs/dbraw/zinc/97/56/44/1059975644.db2.gz SDQYSDRKTINTFN-INIZCTEOSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001447514088 1059975978 /nfs/dbraw/zinc/97/59/78/1059975978.db2.gz VOCOAJNNPZOXET-QGZVFWFLSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001447514088 1059975984 /nfs/dbraw/zinc/97/59/84/1059975984.db2.gz VOCOAJNNPZOXET-QGZVFWFLSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001361189130 1061702761 /nfs/dbraw/zinc/70/27/61/1061702761.db2.gz VTNZHIYPCADFDE-LJQANCHMSA-N 1 1 383.448 3.513 20 5 GHBDMO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001454439242 1061777977 /nfs/dbraw/zinc/77/79/77/1061777977.db2.gz KNBJEIXDFKBVKQ-ZDUSSCGKSA-N 1 1 383.851 3.658 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001455290191 1062092278 /nfs/dbraw/zinc/09/22/78/1062092278.db2.gz VGTLSPVIVBEFNJ-IBGZPJMESA-N 1 1 396.491 3.520 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)o1 ZINC001347443493 1062388299 /nfs/dbraw/zinc/38/82/99/1062388299.db2.gz ZYEZRROXIQTUKM-LLVKDONJSA-N 1 1 386.782 3.958 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001456962131 1062932039 /nfs/dbraw/zinc/93/20/39/1062932039.db2.gz BMRNJGPHDCSKQN-SFHVURJKSA-N 1 1 383.448 3.513 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001457989730 1063488827 /nfs/dbraw/zinc/48/88/27/1063488827.db2.gz BVFCDLARUVOQOP-ROUUACIJSA-N 1 1 395.503 3.994 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001457989730 1063488842 /nfs/dbraw/zinc/48/88/42/1063488842.db2.gz BVFCDLARUVOQOP-ROUUACIJSA-N 1 1 395.503 3.994 20 5 GHBDMO CC(C)Oc1nc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC001458367043 1063765714 /nfs/dbraw/zinc/76/57/14/1063765714.db2.gz ILPWEVGLGBXHFC-JOCHJYFZSA-N 1 1 396.491 3.879 20 5 GHBDMO CC[N@@H+](CCCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC001437418696 1063853837 /nfs/dbraw/zinc/85/38/37/1063853837.db2.gz GYYCNSSCJYBMOH-HNNXBMFYSA-N 1 1 379.476 3.998 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001458631122 1063910136 /nfs/dbraw/zinc/91/01/36/1063910136.db2.gz NFACRMCWVZWIRA-LAUBAEHRSA-N 1 1 393.487 3.653 20 5 GHBDMO CN(C(=O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1)c1ccc([N+](=O)[O-])cc1 ZINC001459625809 1064148864 /nfs/dbraw/zinc/14/88/64/1064148864.db2.gz XUCFQXQTNJMIMO-HSZRJFAPSA-N 1 1 393.487 3.928 20 5 GHBDMO C[C@@H]([NH2+][C@H](c1ccc(F)cc1F)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001459839026 1064238423 /nfs/dbraw/zinc/23/84/23/1064238423.db2.gz SXJFVARSXFFNEN-ZMZPIMSZSA-N 1 1 375.375 3.941 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464091996 1064815121 /nfs/dbraw/zinc/81/51/21/1064815121.db2.gz BWBFZYVHDOZONI-RTWAWAEBSA-N 1 1 395.503 3.944 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001465077333 1065375491 /nfs/dbraw/zinc/37/54/91/1065375491.db2.gz ZHBMKVRICGJBST-AWEZNQCLSA-N 1 1 381.904 3.808 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001467063344 1067042868 /nfs/dbraw/zinc/04/28/68/1067042868.db2.gz IHOJLOUWJWXAKZ-OAHLLOKOSA-N 1 1 385.468 3.919 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001357631837 1067207241 /nfs/dbraw/zinc/20/72/41/1067207241.db2.gz RPIOSEFQULUCQU-PXNSSMCTSA-N 1 1 393.487 3.968 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NC(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C ZINC001468541551 1067764908 /nfs/dbraw/zinc/76/49/08/1067764908.db2.gz QMLDODQBYWTBOA-UHFFFAOYSA-N 1 1 392.415 3.999 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001468631837 1067797867 /nfs/dbraw/zinc/79/78/67/1067797867.db2.gz UIVQDPWEGUJXAL-FQEVSTJZSA-N 1 1 388.512 3.923 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001460120811 1068792870 /nfs/dbraw/zinc/79/28/70/1068792870.db2.gz OQVTWMZRUWDYIT-INIZCTEOSA-N 1 1 399.516 3.911 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001460880731 1069250147 /nfs/dbraw/zinc/25/01/47/1069250147.db2.gz LUAAYZSCXASFFB-HOCLYGCPSA-N 1 1 393.484 3.586 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001460927632 1069278854 /nfs/dbraw/zinc/27/88/54/1069278854.db2.gz CGGBINABJUYNRB-XQQFMLRXSA-N 1 1 397.422 3.751 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001460927632 1069278864 /nfs/dbraw/zinc/27/88/64/1069278864.db2.gz CGGBINABJUYNRB-XQQFMLRXSA-N 1 1 397.422 3.751 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001470776322 1072732371 /nfs/dbraw/zinc/73/23/71/1072732371.db2.gz GYLFFPHPPXJDHL-MGPUTAFESA-N 1 1 381.476 3.852 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001470780594 1072736684 /nfs/dbraw/zinc/73/66/84/1072736684.db2.gz TWTNYLMFZRDJCL-IDZYALCFSA-N 1 1 393.487 3.725 20 5 GHBDMO Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001471242155 1072981024 /nfs/dbraw/zinc/98/10/24/1072981024.db2.gz FFVJEBMRMIOSSW-IBGZPJMESA-N 1 1 385.439 3.713 20 5 GHBDMO Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001471242155 1072981026 /nfs/dbraw/zinc/98/10/26/1072981026.db2.gz FFVJEBMRMIOSSW-IBGZPJMESA-N 1 1 385.439 3.713 20 5 GHBDMO C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccccc1[N+](=O)[O-] ZINC001472624426 1073583066 /nfs/dbraw/zinc/58/30/66/1073583066.db2.gz LXJVBHJFPDAVSX-QFBILLFUSA-N 1 1 381.476 3.938 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC001472735745 1073643263 /nfs/dbraw/zinc/64/32/63/1073643263.db2.gz QYZSOZRCQLFTCY-MAUKXSAKSA-N 1 1 387.480 3.533 20 5 GHBDMO O=[N+]([O-])c1ccc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc1OC(F)F ZINC001472811906 1073676510 /nfs/dbraw/zinc/67/65/10/1073676510.db2.gz UGWLXXFTSFDLBS-QAPCUYQASA-N 1 1 389.402 3.907 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC001473177572 1073834096 /nfs/dbraw/zinc/83/40/96/1073834096.db2.gz JUYGZYLMDKBDJZ-INIZCTEOSA-N 1 1 385.464 3.803 20 5 GHBDMO CCC1(CC)[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC001473237816 1073880777 /nfs/dbraw/zinc/88/07/77/1073880777.db2.gz NYTNNDXJDKNTKC-MSOLQXFVSA-N 1 1 377.485 3.757 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001473393438 1073947587 /nfs/dbraw/zinc/94/75/87/1073947587.db2.gz VBDDHKWWBYBRJN-MRXNPFEDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001473393438 1073947591 /nfs/dbraw/zinc/94/75/91/1073947591.db2.gz VBDDHKWWBYBRJN-MRXNPFEDSA-N 1 1 383.876 3.983 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473575069 1074024161 /nfs/dbraw/zinc/02/41/61/1074024161.db2.gz KDTIXCJQUARQTD-OAHLLOKOSA-N 1 1 393.440 3.979 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473575069 1074024167 /nfs/dbraw/zinc/02/41/67/1074024167.db2.gz KDTIXCJQUARQTD-OAHLLOKOSA-N 1 1 393.440 3.979 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC001473596972 1074039865 /nfs/dbraw/zinc/03/98/65/1074039865.db2.gz FFHWXCUAUXZIDH-INIZCTEOSA-N 1 1 375.469 3.655 20 5 GHBDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473772244 1074134926 /nfs/dbraw/zinc/13/49/26/1074134926.db2.gz YMMOZAANTXSUNW-RTWAWAEBSA-N 1 1 387.455 3.536 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001473871472 1074184216 /nfs/dbraw/zinc/18/42/16/1074184216.db2.gz WNFYVZXYVITZLD-KGLIPLIRSA-N 1 1 383.286 3.996 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897349 1074195249 /nfs/dbraw/zinc/19/52/49/1074195249.db2.gz JVINFTODRZHHSS-HOTGVXAUSA-N 1 1 399.495 3.753 20 5 GHBDMO CC[N@@H+](CCCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C1CCCCC1 ZINC001475464069 1074883961 /nfs/dbraw/zinc/88/39/61/1074883961.db2.gz XQLVBNAFOZTXAW-UHFFFAOYSA-N 1 1 397.541 3.535 20 5 GHBDMO COc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1[N+](=O)[O-] ZINC001476318858 1075124051 /nfs/dbraw/zinc/12/40/51/1075124051.db2.gz MJTAFWFWCJAQHJ-QGZVFWFLSA-N 1 1 390.484 3.770 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824771136 608463477 /nfs/dbraw/zinc/46/34/77/608463477.db2.gz PKJAOSYTKFMJGL-CQSZACIVSA-N 1 1 376.420 3.625 20 5 GHBDMO O=[N+]([O-])c1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2[nH]ccc21 ZINC001164621697 719088900 /nfs/dbraw/zinc/08/89/00/719088900.db2.gz ANAAZMIARYLQFY-VQIMIIECSA-N 1 1 377.448 3.572 20 5 GHBDMO C[N@@H+](Cc1c2ccccc2cc2ccccc21)C1CCN(S(C)(=O)=O)CC1 ZINC000180628537 837415881 /nfs/dbraw/zinc/41/58/81/837415881.db2.gz XBENJYZNCXIPGZ-UHFFFAOYSA-N 1 1 382.529 3.849 20 5 GHBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000180788292 837547316 /nfs/dbraw/zinc/54/73/16/837547316.db2.gz DPKJDTRSQJNPFH-KRWDZBQOSA-N 1 1 376.478 3.951 20 5 GHBDMO COc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1OC(F)F ZINC000177005139 837703559 /nfs/dbraw/zinc/70/35/59/837703559.db2.gz CREGVVRAZFNSAY-UHFFFAOYSA-N 1 1 393.346 3.978 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1OC(F)F ZINC000177005139 837703566 /nfs/dbraw/zinc/70/35/66/837703566.db2.gz CREGVVRAZFNSAY-UHFFFAOYSA-N 1 1 393.346 3.978 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000163221174 834670574 /nfs/dbraw/zinc/67/05/74/834670574.db2.gz LXAGHSLAJASVDF-PXAZEXFGSA-N 1 1 378.860 3.729 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](COC)Cc1ccccc1 ZINC000472323281 834673824 /nfs/dbraw/zinc/67/38/24/834673824.db2.gz SMMHPGPNJWVNPR-IBGZPJMESA-N 1 1 396.447 3.724 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000179199676 835019917 /nfs/dbraw/zinc/01/99/17/835019917.db2.gz DREJUDNXIDMMAL-INIZCTEOSA-N 1 1 382.247 3.900 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000179199676 835019927 /nfs/dbraw/zinc/01/99/27/835019927.db2.gz DREJUDNXIDMMAL-INIZCTEOSA-N 1 1 382.247 3.900 20 5 GHBDMO COc1ccc(OC)c(C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000409875590 835172635 /nfs/dbraw/zinc/17/26/35/835172635.db2.gz RTLPTVNHRPRPOF-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](C)c1cccc(O)c1 ZINC000471170623 835396213 /nfs/dbraw/zinc/39/62/13/835396213.db2.gz WEMFJBDWIPVPDD-CQSZACIVSA-N 1 1 385.420 3.682 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000433360510 844051210 /nfs/dbraw/zinc/05/12/10/844051210.db2.gz GDXMJTSDUFTOEU-YWZLYKJASA-N 1 1 394.431 3.501 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000612093797 835469141 /nfs/dbraw/zinc/46/91/41/835469141.db2.gz PNWYDGYAFIWJJR-MSOLQXFVSA-N 1 1 395.459 3.695 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])s1 ZINC000612133002 835582865 /nfs/dbraw/zinc/58/28/65/835582865.db2.gz RGDXRQPKPHLXMP-IXDOHACOSA-N 1 1 385.489 3.687 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612132291 835587959 /nfs/dbraw/zinc/58/79/59/835587959.db2.gz JINCRDPJCDFVSU-CEWLAPEOSA-N 1 1 393.487 3.934 20 5 GHBDMO Cc1sc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1[N+](=O)[O-] ZINC000612132243 835588000 /nfs/dbraw/zinc/58/80/00/835588000.db2.gz HWVBPDCXSSOISL-OKZBNKHCSA-N 1 1 399.516 3.995 20 5 GHBDMO COc1ccccc1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000411183969 836082009 /nfs/dbraw/zinc/08/20/09/836082009.db2.gz STJIHALMKPYZRI-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928797 836182416 /nfs/dbraw/zinc/18/24/16/836182416.db2.gz WBGRPOSCPDYNMW-GFCCVEGCSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928797 836182419 /nfs/dbraw/zinc/18/24/19/836182419.db2.gz WBGRPOSCPDYNMW-GFCCVEGCSA-N 1 1 379.819 3.889 20 5 GHBDMO COc1cc(C[NH+]2CCC(N(C)c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000092643306 844142083 /nfs/dbraw/zinc/14/20/83/844142083.db2.gz FZAKXEADHVDBQY-UHFFFAOYSA-N 1 1 385.464 3.713 20 5 GHBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000472432629 836272004 /nfs/dbraw/zinc/27/20/04/836272004.db2.gz PYPURMSJFQAOGF-CYBMUJFWSA-N 1 1 386.374 3.520 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](Oc4ccccc4)C3)n2)c1 ZINC000411980475 836467220 /nfs/dbraw/zinc/46/72/20/836467220.db2.gz GSJVHHLAIVMUHG-SFHVURJKSA-N 1 1 380.404 3.688 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](Oc4ccccc4)C3)n2)c1 ZINC000411980475 836467228 /nfs/dbraw/zinc/46/72/28/836467228.db2.gz GSJVHHLAIVMUHG-SFHVURJKSA-N 1 1 380.404 3.688 20 5 GHBDMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)ccc2NC1=O ZINC000180016775 836686703 /nfs/dbraw/zinc/68/67/03/836686703.db2.gz ASSYECKLCLHIKB-BZNIZROVSA-N 1 1 396.403 3.696 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CCN(c3cc[nH+]cc3Br)CC2)cc1 ZINC000547827740 837154310 /nfs/dbraw/zinc/15/43/10/837154310.db2.gz CARBOWFLYNKZMZ-UHFFFAOYSA-N 1 1 378.226 3.800 20 5 GHBDMO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000363797457 837209247 /nfs/dbraw/zinc/20/92/47/837209247.db2.gz OVUHHZRJGRXYGY-MEDUHNTESA-N 1 1 388.811 3.682 20 5 GHBDMO C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175735969 837231245 /nfs/dbraw/zinc/23/12/45/837231245.db2.gz BSJDJBMKGBDSGU-PKOBYXMFSA-N 1 1 396.491 3.819 20 5 GHBDMO COc1cc(NC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000177371234 837927031 /nfs/dbraw/zinc/92/70/31/837927031.db2.gz ARZVHBHVKGMMNX-UHFFFAOYSA-N 1 1 389.427 3.828 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(OCC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000177493801 837991562 /nfs/dbraw/zinc/99/15/62/837991562.db2.gz PPUVVQWKGRLPTF-INIZCTEOSA-N 1 1 389.496 3.901 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275612584 838011006 /nfs/dbraw/zinc/01/10/06/838011006.db2.gz HGMNMISEFKQEST-NSPYISDASA-N 1 1 397.425 3.584 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc1F ZINC000535672953 844294469 /nfs/dbraw/zinc/29/44/69/844294469.db2.gz CVERARRZRFSDEG-UHFFFAOYSA-N 1 1 393.378 3.639 20 5 GHBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)COc3ccccc3[N+](=O)[O-])c2C1 ZINC000102734130 838201026 /nfs/dbraw/zinc/20/10/26/838201026.db2.gz NVRVFZSUSOJRDT-UHFFFAOYSA-N 1 1 383.448 3.974 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000500955979 844306781 /nfs/dbraw/zinc/30/67/81/844306781.db2.gz FQTTXQJAGHWOFY-QGZVFWFLSA-N 1 1 399.447 3.778 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000500959372 844347050 /nfs/dbraw/zinc/34/70/50/844347050.db2.gz CJJMDPCHHVJWGB-UHFFFAOYSA-N 1 1 396.491 3.520 20 5 GHBDMO Cc1ccc(-c2cc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)on2)cc1 ZINC000118866945 838744301 /nfs/dbraw/zinc/74/43/01/838744301.db2.gz ARLWIBDKZYCWCV-INIZCTEOSA-N 1 1 379.420 3.640 20 5 GHBDMO C[C@H](CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000472954300 838746444 /nfs/dbraw/zinc/74/64/44/838746444.db2.gz BKBKCCVGWUKSGJ-SJORKVTESA-N 1 1 384.480 3.866 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275766356 838768009 /nfs/dbraw/zinc/76/80/09/838768009.db2.gz LGNCIQZXSXAKSQ-MRXNPFEDSA-N 1 1 377.488 3.898 20 5 GHBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104682888 838863644 /nfs/dbraw/zinc/86/36/44/838863644.db2.gz NFZXXRNODGTPEU-MRXNPFEDSA-N 1 1 377.485 3.510 20 5 GHBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104682888 838863653 /nfs/dbraw/zinc/86/36/53/838863653.db2.gz NFZXXRNODGTPEU-MRXNPFEDSA-N 1 1 377.485 3.510 20 5 GHBDMO CC(C)c1ccc([C@H]([NH3+])CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414846629 838887378 /nfs/dbraw/zinc/88/73/78/838887378.db2.gz NRSVFZWGFUWOSA-OAQYLSRUSA-N 1 1 393.491 3.908 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000190050443 838914967 /nfs/dbraw/zinc/91/49/67/838914967.db2.gz KBLDOJDBKBNJHP-IERDGZPVSA-N 1 1 392.459 3.650 20 5 GHBDMO C[C@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414957700 839006310 /nfs/dbraw/zinc/00/63/10/839006310.db2.gz WHYUEUFZTZSPOV-LPHOPBHVSA-N 1 1 391.475 3.678 20 5 GHBDMO C[C@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414957702 839006710 /nfs/dbraw/zinc/00/67/10/839006710.db2.gz WHYUEUFZTZSPOV-QFBILLFUSA-N 1 1 391.475 3.678 20 5 GHBDMO COc1ccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415125847 839235146 /nfs/dbraw/zinc/23/51/46/839235146.db2.gz LLJQAVDODLNDDB-QFBILLFUSA-N 1 1 399.491 3.599 20 5 GHBDMO C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000610420416 839256195 /nfs/dbraw/zinc/25/61/95/839256195.db2.gz XRXQLYCNSYHCBW-LLVKDONJSA-N 1 1 375.226 3.856 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)n2)cc1 ZINC000378511250 839257207 /nfs/dbraw/zinc/25/72/07/839257207.db2.gz JNPGCFNAFCUEKK-QFBILLFUSA-N 1 1 380.404 3.512 20 5 GHBDMO C[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000312251269 839484898 /nfs/dbraw/zinc/48/48/98/839484898.db2.gz ABACSVQQVHZWBR-HXUWFJFHSA-N 1 1 387.867 3.890 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC3(CC2)OCCO3)ccc1Oc1ccc(F)cc1 ZINC000126121583 844453444 /nfs/dbraw/zinc/45/34/44/844453444.db2.gz JXCVBZMPPGIDMV-UHFFFAOYSA-N 1 1 388.395 3.865 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000119149685 839678693 /nfs/dbraw/zinc/67/86/93/839678693.db2.gz GDDSEXWAGZJZSS-VQIMIIECSA-N 1 1 385.508 3.981 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000119150020 839679677 /nfs/dbraw/zinc/67/96/77/839679677.db2.gz GDDSEXWAGZJZSS-LPHOPBHVSA-N 1 1 385.508 3.981 20 5 GHBDMO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580507638 839705308 /nfs/dbraw/zinc/70/53/08/839705308.db2.gz VCKYBPYGYBGXAD-HKUYNNGSSA-N 1 1 381.476 3.679 20 5 GHBDMO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000412159634 839843757 /nfs/dbraw/zinc/84/37/57/839843757.db2.gz PGKDURVLAHHFBZ-VOQZNFBZSA-N 1 1 393.487 3.821 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000119351079 840348814 /nfs/dbraw/zinc/34/88/14/840348814.db2.gz IETCXPQRBMBFCP-UHFFFAOYSA-N 1 1 396.447 3.515 20 5 GHBDMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000573451214 844545955 /nfs/dbraw/zinc/54/59/55/844545955.db2.gz YMGIFHDUFJZPFV-GUDVDZBRSA-N 1 1 384.480 3.745 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CCCC2 ZINC000417311660 840708321 /nfs/dbraw/zinc/70/83/21/840708321.db2.gz POVZFTSURBCCIX-YPAWHYETSA-N 1 1 387.524 3.720 20 5 GHBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000511773168 840713778 /nfs/dbraw/zinc/71/37/78/840713778.db2.gz SZPYARURCHELIC-HXUWFJFHSA-N 1 1 381.476 3.934 20 5 GHBDMO COCCCC[N@@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000419383534 844566631 /nfs/dbraw/zinc/56/66/31/844566631.db2.gz KVYGTRVKQBMYJQ-FQEVSTJZSA-N 1 1 385.464 3.941 20 5 GHBDMO Cc1c(CC(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000124387798 840943149 /nfs/dbraw/zinc/94/31/49/840943149.db2.gz VKCNUBFOKIUCBS-IYBDPMFKSA-N 1 1 397.475 3.694 20 5 GHBDMO Cc1c(CC(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000124387798 840943154 /nfs/dbraw/zinc/94/31/54/840943154.db2.gz VKCNUBFOKIUCBS-IYBDPMFKSA-N 1 1 397.475 3.694 20 5 GHBDMO CN(C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000511856476 840970124 /nfs/dbraw/zinc/97/01/24/840970124.db2.gz XNPDSDQTHHGLHC-NJDAHSKKSA-N 1 1 379.460 3.826 20 5 GHBDMO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000157045800 841046834 /nfs/dbraw/zinc/04/68/34/841046834.db2.gz SJBTWAQJGFMEDZ-IEBWSBKVSA-N 1 1 396.491 3.518 20 5 GHBDMO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500002619 841251837 /nfs/dbraw/zinc/25/18/37/841251837.db2.gz MKNMUOMJPYFZJD-XLIONFOSSA-N 1 1 397.475 3.658 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000181630249 841349025 /nfs/dbraw/zinc/34/90/25/841349025.db2.gz QEJXNUZJVGKLTI-YOEHRIQHSA-N 1 1 377.510 3.652 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000302167901 861226376 /nfs/dbraw/zinc/22/63/76/861226376.db2.gz SIXALJSYTPEMMX-CJNGLKHVSA-N 1 1 395.385 3.899 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000127196153 841825915 /nfs/dbraw/zinc/82/59/15/841825915.db2.gz LVJUBYFYASEOPF-KRWDZBQOSA-N 1 1 396.491 3.962 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000127196153 841825927 /nfs/dbraw/zinc/82/59/27/841825927.db2.gz LVJUBYFYASEOPF-KRWDZBQOSA-N 1 1 396.491 3.962 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000477196204 841889003 /nfs/dbraw/zinc/88/90/03/841889003.db2.gz XHYDUDUPWGYNAY-UHFFFAOYSA-N 1 1 387.867 3.557 20 5 GHBDMO Cc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000110388241 841901180 /nfs/dbraw/zinc/90/11/80/841901180.db2.gz FUPYZMZNLFHDNV-YQQQUEKLSA-N 1 1 379.460 3.829 20 5 GHBDMO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430647374 842086801 /nfs/dbraw/zinc/08/68/01/842086801.db2.gz FQBKTQYIEIZAQL-UZLBHIALSA-N 1 1 381.476 3.940 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000128496978 842118156 /nfs/dbraw/zinc/11/81/56/842118156.db2.gz HTJGUPMBYLTFHS-CYBMUJFWSA-N 1 1 383.404 3.981 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000128496978 842118159 /nfs/dbraw/zinc/11/81/59/842118159.db2.gz HTJGUPMBYLTFHS-CYBMUJFWSA-N 1 1 383.404 3.981 20 5 GHBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471692933 842173025 /nfs/dbraw/zinc/17/30/25/842173025.db2.gz LNXOMAHPWWSPCZ-NQIIRXRSSA-N 1 1 385.464 3.695 20 5 GHBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471692933 842173033 /nfs/dbraw/zinc/17/30/33/842173033.db2.gz LNXOMAHPWWSPCZ-NQIIRXRSSA-N 1 1 385.464 3.695 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000157950324 842227752 /nfs/dbraw/zinc/22/77/52/842227752.db2.gz HAPRZOGTXGKCGM-PXNSSMCTSA-N 1 1 396.491 3.789 20 5 GHBDMO COc1cc(C[N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)ccc1O ZINC000125958466 842299758 /nfs/dbraw/zinc/29/97/58/842299758.db2.gz YLKCALZVZOIXFV-UHFFFAOYSA-N 1 1 381.226 3.704 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)ccc1O ZINC000125958466 842299770 /nfs/dbraw/zinc/29/97/70/842299770.db2.gz YLKCALZVZOIXFV-UHFFFAOYSA-N 1 1 381.226 3.704 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCN(C)c1ccccc1 ZINC000730808251 861295363 /nfs/dbraw/zinc/29/53/63/861295363.db2.gz FZSGMAYLAIXTGK-CQSZACIVSA-N 1 1 390.871 3.643 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCN(C)c1ccccc1 ZINC000730808251 861295381 /nfs/dbraw/zinc/29/53/81/861295381.db2.gz FZSGMAYLAIXTGK-CQSZACIVSA-N 1 1 390.871 3.643 20 5 GHBDMO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000051380192 842317012 /nfs/dbraw/zinc/31/70/12/842317012.db2.gz ZTCHBRRCRFUCRI-UHFFFAOYSA-N 1 1 384.432 3.707 20 5 GHBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302547322 861298072 /nfs/dbraw/zinc/29/80/72/861298072.db2.gz PGTPPDFHXBVKFP-JTQLQIEISA-N 1 1 395.809 3.548 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC2(CCCCC2)C1 ZINC000175970686 842531967 /nfs/dbraw/zinc/53/19/67/842531967.db2.gz OOKYGVDWUNZWTJ-UHFFFAOYSA-N 1 1 393.509 3.684 20 5 GHBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2cccn2)c(F)c1 ZINC000555590858 861324165 /nfs/dbraw/zinc/32/41/65/861324165.db2.gz MROGWTANHAKATF-GFCCVEGCSA-N 1 1 380.383 3.647 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000512140392 842622241 /nfs/dbraw/zinc/62/22/41/842622241.db2.gz WHGJFGXJLIFVSN-AWEZNQCLSA-N 1 1 377.510 3.723 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000603890073 861335915 /nfs/dbraw/zinc/33/59/15/861335915.db2.gz OBLKEQSDOCGAFA-MJGOQNOKSA-N 1 1 395.459 3.695 20 5 GHBDMO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310084379 842743523 /nfs/dbraw/zinc/74/35/23/842743523.db2.gz MFIYMZAPPHRBGZ-AWEZNQCLSA-N 1 1 391.269 3.686 20 5 GHBDMO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000512185580 842834073 /nfs/dbraw/zinc/83/40/73/842834073.db2.gz KFAJZUXRNHSJKS-OXQOHEQNSA-N 1 1 388.489 3.842 20 5 GHBDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000512185580 842834083 /nfs/dbraw/zinc/83/40/83/842834083.db2.gz KFAJZUXRNHSJKS-OXQOHEQNSA-N 1 1 388.489 3.842 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000430704194 842856906 /nfs/dbraw/zinc/85/69/06/842856906.db2.gz XCGREKORJIWCMN-YJBOKZPZSA-N 1 1 392.459 3.859 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccncc21 ZINC000302770090 861355423 /nfs/dbraw/zinc/35/54/23/861355423.db2.gz BTILPXJOHREBIH-GOSISDBHSA-N 1 1 392.459 3.846 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC2(CCCCC2)C1 ZINC000430757002 842939240 /nfs/dbraw/zinc/93/92/40/842939240.db2.gz DTMUNEFGSZAVMD-UHFFFAOYSA-N 1 1 377.510 3.984 20 5 GHBDMO COC1CC[NH+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000053897261 843089933 /nfs/dbraw/zinc/08/99/33/843089933.db2.gz YZTWNBWYCGWRSK-FQEVSTJZSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)n2)c1 ZINC000279551300 843131677 /nfs/dbraw/zinc/13/16/77/843131677.db2.gz QWOTYXAEIXOZTA-DYVFJYSZSA-N 1 1 378.436 3.812 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccnc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000432313138 843416405 /nfs/dbraw/zinc/41/64/05/843416405.db2.gz JURYUAZUUPXGFI-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccnc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000432313138 843416408 /nfs/dbraw/zinc/41/64/08/843416408.db2.gz JURYUAZUUPXGFI-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610676665 843497694 /nfs/dbraw/zinc/49/76/94/843497694.db2.gz TWRRFHDXGKZBGZ-KRWDZBQOSA-N 1 1 393.447 3.875 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610676665 843497701 /nfs/dbraw/zinc/49/77/01/843497701.db2.gz TWRRFHDXGKZBGZ-KRWDZBQOSA-N 1 1 393.447 3.875 20 5 GHBDMO O=C(c1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000603943210 861430776 /nfs/dbraw/zinc/43/07/76/861430776.db2.gz DQOSVBSBLKJKGR-IBGZPJMESA-N 1 1 394.475 3.517 20 5 GHBDMO CC1CCN(c2ccc(C(=O)Nc3cc[nH+]c(N(C)C)c3)cc2[N+](=O)[O-])CC1 ZINC000500444679 843595501 /nfs/dbraw/zinc/59/55/01/843595501.db2.gz ZNOXOCDLBMKJSX-UHFFFAOYSA-N 1 1 383.452 3.544 20 5 GHBDMO COc1cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000512481036 843967047 /nfs/dbraw/zinc/96/70/47/843967047.db2.gz RPHMZBRRUQOFAC-TZMCWYRMSA-N 1 1 388.411 3.720 20 5 GHBDMO COc1ccc(C)cc1C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731205798 861511813 /nfs/dbraw/zinc/51/18/13/861511813.db2.gz JQRHKHABMARRKV-UHFFFAOYSA-N 1 1 398.488 3.844 20 5 GHBDMO COC[C@H](C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000599684250 861525320 /nfs/dbraw/zinc/52/53/20/861525320.db2.gz XJXWIJNUYREGPW-HRAATJIYSA-N 1 1 397.475 3.582 20 5 GHBDMO CC1(C)C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)c2cc([N+](=O)[O-])ccc21 ZINC000433075933 845189078 /nfs/dbraw/zinc/18/90/78/845189078.db2.gz IKFCJCGOIGLWPF-OAHLLOKOSA-N 1 1 380.491 3.572 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255436152 845232576 /nfs/dbraw/zinc/23/25/76/845232576.db2.gz WPPGSIZDMOUJDI-NZIDHHNMSA-N 1 1 393.487 3.979 20 5 GHBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl ZINC000182426858 845441437 /nfs/dbraw/zinc/44/14/37/845441437.db2.gz LOLBKAHQPJXOOS-NSHDSACASA-N 1 1 386.832 3.512 20 5 GHBDMO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+]2CCOCC2)cc1 ZINC000071968850 846068159 /nfs/dbraw/zinc/06/81/59/846068159.db2.gz WXGDRJDDPKCMMG-QFIPXVFZSA-N 1 1 392.459 3.937 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000421490451 846282827 /nfs/dbraw/zinc/28/28/27/846282827.db2.gz YMIXATPNFTYUFS-FXAWDEMLSA-N 1 1 381.476 3.852 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000421562585 846337080 /nfs/dbraw/zinc/33/70/80/846337080.db2.gz SOAQRQDMMVMOSS-PMACEKPBSA-N 1 1 393.487 3.806 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000255021378 846341890 /nfs/dbraw/zinc/34/18/90/846341890.db2.gz WPQNFLGVQZJHHY-JIGZGPPQSA-N 1 1 380.448 3.662 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001167548608 846361363 /nfs/dbraw/zinc/36/13/63/846361363.db2.gz COMYRXQTMQHRID-AWEZNQCLSA-N 1 1 375.469 3.833 20 5 GHBDMO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)sc1Br ZINC000539837966 846438823 /nfs/dbraw/zinc/43/88/23/846438823.db2.gz FYMIGOJAXADTMT-NSHDSACASA-N 1 1 397.298 3.809 20 5 GHBDMO Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)sc1Br ZINC000539837966 846438832 /nfs/dbraw/zinc/43/88/32/846438832.db2.gz FYMIGOJAXADTMT-NSHDSACASA-N 1 1 397.298 3.809 20 5 GHBDMO Cc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cn2cc[nH+]c12 ZINC000502811016 846494112 /nfs/dbraw/zinc/49/41/12/846494112.db2.gz HIVUARRJZIEQFA-UHFFFAOYSA-N 1 1 379.401 3.927 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000843817942 861696380 /nfs/dbraw/zinc/69/63/80/861696380.db2.gz TYUJRVHIMOELKN-PBHICJAKSA-N 1 1 385.439 3.825 20 5 GHBDMO Cc1c(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000178552864 846633755 /nfs/dbraw/zinc/63/37/55/846633755.db2.gz YFTOYAUUKZIJPG-SFHVURJKSA-N 1 1 375.856 3.518 20 5 GHBDMO CC[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000604075473 861712797 /nfs/dbraw/zinc/71/27/97/861712797.db2.gz UKPNONLKROJMIA-OXQOHEQNSA-N 1 1 396.491 3.792 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccsc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237128129 847400075 /nfs/dbraw/zinc/40/00/75/847400075.db2.gz SRIISOYQSVGKPH-UHFFFAOYSA-N 1 1 376.356 3.896 20 5 GHBDMO COc1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000272894003 861890639 /nfs/dbraw/zinc/89/06/39/861890639.db2.gz ZFOAOLKRWUIJAP-KRWDZBQOSA-N 1 1 398.463 3.589 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@]3(CO)CCc4ccccc43)cs2)c1 ZINC000135880330 848742114 /nfs/dbraw/zinc/74/21/14/848742114.db2.gz SFVXNTAENVULMT-HXUWFJFHSA-N 1 1 381.457 3.642 20 5 GHBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278100008 849174494 /nfs/dbraw/zinc/17/44/94/849174494.db2.gz JKRCVUGBOQNEJS-INIZCTEOSA-N 1 1 377.488 3.801 20 5 GHBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc([N+](=O)[O-])ccc1F ZINC000732007290 862005658 /nfs/dbraw/zinc/00/56/58/862005658.db2.gz PKCPBTBXKTXHEN-ALOPSCKCSA-N 1 1 383.423 3.659 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000248140047 849377946 /nfs/dbraw/zinc/37/79/46/849377946.db2.gz YIEZFOXKBACDGT-OALUTQOASA-N 1 1 382.464 3.575 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000278199342 849616628 /nfs/dbraw/zinc/61/66/28/849616628.db2.gz VDALGUYOWIKCIZ-UHFFFAOYSA-N 1 1 375.812 3.635 20 5 GHBDMO COCC[N@@H+](C)CC[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000505560916 849858930 /nfs/dbraw/zinc/85/89/30/849858930.db2.gz YWEDQIKCDLHPKG-NRFANRHFSA-N 1 1 394.475 3.686 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000132464442 862086123 /nfs/dbraw/zinc/08/61/23/862086123.db2.gz CWEUFONKXPEAAI-DOTOQJQBSA-N 1 1 385.439 3.859 20 5 GHBDMO Cc1sc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000569655386 850378768 /nfs/dbraw/zinc/37/87/68/850378768.db2.gz SJDWFECVCSXXKX-QGZVFWFLSA-N 1 1 387.505 3.997 20 5 GHBDMO Cn1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425377225 850506413 /nfs/dbraw/zinc/50/64/13/850506413.db2.gz ZELZVCIAQXOFPH-NRFANRHFSA-N 1 1 396.491 3.776 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000481729055 862140169 /nfs/dbraw/zinc/14/01/69/862140169.db2.gz VRWGXRKSKIRSAG-QFIPXVFZSA-N 1 1 395.459 3.753 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000426525083 850567339 /nfs/dbraw/zinc/56/73/39/850567339.db2.gz RGOJSKBSEPIBIM-QFIPXVFZSA-N 1 1 398.459 3.529 20 5 GHBDMO CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000434230888 850910207 /nfs/dbraw/zinc/91/02/07/850910207.db2.gz YGRQYXDLKXNCBP-RDJZCZTQSA-N 1 1 399.495 3.739 20 5 GHBDMO CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000434230888 850910220 /nfs/dbraw/zinc/91/02/20/850910220.db2.gz YGRQYXDLKXNCBP-RDJZCZTQSA-N 1 1 399.495 3.739 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)sc2C1 ZINC000425080606 851123988 /nfs/dbraw/zinc/12/39/88/851123988.db2.gz MYDRYSMVQJIOGA-UHFFFAOYSA-N 1 1 399.476 3.942 20 5 GHBDMO Cn1cc(C[N@@H+](C)CCCC(=O)OC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000514104079 851239596 /nfs/dbraw/zinc/23/95/96/851239596.db2.gz HJBIPBPPPSNILR-UHFFFAOYSA-N 1 1 388.468 3.549 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514225831 851422153 /nfs/dbraw/zinc/42/21/53/851422153.db2.gz FDEWIPYRGQGCBN-CQSZACIVSA-N 1 1 385.411 3.581 20 5 GHBDMO C[N@@H+](CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CCCCC1 ZINC000436317203 851453098 /nfs/dbraw/zinc/45/30/98/851453098.db2.gz ZWXYFCHZIWDSLT-UHFFFAOYSA-N 1 1 377.488 3.676 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[NH2+]2)cc1 ZINC000505482775 851525250 /nfs/dbraw/zinc/52/52/50/851525250.db2.gz BXFRYHNBEQWQAF-SFHVURJKSA-N 1 1 379.416 3.690 20 5 GHBDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604492968 862253681 /nfs/dbraw/zinc/25/36/81/862253681.db2.gz OZHQTJWGKAENIA-NSHDSACASA-N 1 1 381.354 3.906 20 5 GHBDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604492968 862253700 /nfs/dbraw/zinc/25/37/00/862253700.db2.gz OZHQTJWGKAENIA-NSHDSACASA-N 1 1 381.354 3.906 20 5 GHBDMO Cn1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430094641 851565901 /nfs/dbraw/zinc/56/59/01/851565901.db2.gz ABFNBASEKWWBLC-FQEVSTJZSA-N 1 1 377.448 3.973 20 5 GHBDMO Cn1cc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430094641 851565912 /nfs/dbraw/zinc/56/59/12/851565912.db2.gz ABFNBASEKWWBLC-FQEVSTJZSA-N 1 1 377.448 3.973 20 5 GHBDMO Cn1cc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430094642 851566130 /nfs/dbraw/zinc/56/61/30/851566130.db2.gz ABFNBASEKWWBLC-HXUWFJFHSA-N 1 1 377.448 3.973 20 5 GHBDMO Cn1cc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430094642 851566140 /nfs/dbraw/zinc/56/61/40/851566140.db2.gz ABFNBASEKWWBLC-HXUWFJFHSA-N 1 1 377.448 3.973 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000604549670 862272550 /nfs/dbraw/zinc/27/25/50/862272550.db2.gz YFROZVLMDXSVFL-QGZVFWFLSA-N 1 1 392.459 3.718 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000488977358 851905731 /nfs/dbraw/zinc/90/57/31/851905731.db2.gz QNUROXKITOVUAS-UHFFFAOYSA-N 1 1 397.566 3.512 20 5 GHBDMO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000383038540 852104963 /nfs/dbraw/zinc/10/49/63/852104963.db2.gz KKUNDVHCWAVXND-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425975943 852217075 /nfs/dbraw/zinc/21/70/75/852217075.db2.gz PBHBQPSOINODKX-GCJKJVERSA-N 1 1 383.492 3.533 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425975943 852217088 /nfs/dbraw/zinc/21/70/88/852217088.db2.gz PBHBQPSOINODKX-GCJKJVERSA-N 1 1 383.492 3.533 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425975943 852217101 /nfs/dbraw/zinc/21/71/01/852217101.db2.gz PBHBQPSOINODKX-GCJKJVERSA-N 1 1 383.492 3.533 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000132937779 862334394 /nfs/dbraw/zinc/33/43/94/862334394.db2.gz ONNIILNSRIDATP-KRWDZBQOSA-N 1 1 388.512 3.781 20 5 GHBDMO COc1ccc(CNCC2([NH+](C)C)CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438342966 852291530 /nfs/dbraw/zinc/29/15/30/852291530.db2.gz VDHFSAIICDVUMO-UHFFFAOYSA-N 1 1 399.491 3.756 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000505941332 852639288 /nfs/dbraw/zinc/63/92/88/852639288.db2.gz NSADYCGVPPSWIY-GJZGRUSLSA-N 1 1 379.888 3.975 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000490005095 852700689 /nfs/dbraw/zinc/70/06/89/852700689.db2.gz OPFUZKCQAFEIQJ-RHSMWYFYSA-N 1 1 386.427 3.999 20 5 GHBDMO CN(C(=O)C[N@@H+](C)CCc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000507293995 852755316 /nfs/dbraw/zinc/75/53/16/852755316.db2.gz USZFMXBTDULSCI-UHFFFAOYSA-N 1 1 377.444 3.885 20 5 GHBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490402785 853012120 /nfs/dbraw/zinc/01/21/20/853012120.db2.gz WAZSFWOQWIBVSG-HXUWFJFHSA-N 1 1 393.487 3.998 20 5 GHBDMO Cc1ccc([C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000437348034 853029473 /nfs/dbraw/zinc/02/94/73/853029473.db2.gz ORULHOMVBWBNNO-AKTGSIICSA-N 1 1 388.489 3.680 20 5 GHBDMO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000913062769 853044437 /nfs/dbraw/zinc/04/44/37/853044437.db2.gz WBNRPEQULOSTOV-HNNXBMFYSA-N 1 1 399.882 3.934 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000058254565 862426690 /nfs/dbraw/zinc/42/66/90/862426690.db2.gz SMLQTKDMMDJMBA-QGZVFWFLSA-N 1 1 381.476 3.686 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490760557 853257685 /nfs/dbraw/zinc/25/76/85/853257685.db2.gz UJQPZPZNMHUQNG-DOTOQJQBSA-N 1 1 398.463 3.636 20 5 GHBDMO Cc1nc(COc2ccc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cc2)no1 ZINC000517018143 853288469 /nfs/dbraw/zinc/28/84/69/853288469.db2.gz PNPSJMHFLFCKPS-UHFFFAOYSA-N 1 1 382.420 3.540 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000518411462 853316381 /nfs/dbraw/zinc/31/63/81/853316381.db2.gz XHUSYPFEHAGMKC-AWEZNQCLSA-N 1 1 379.526 3.947 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000140169848 853506331 /nfs/dbraw/zinc/50/63/31/853506331.db2.gz YJOHWGNOYCQLES-ZDUSSCGKSA-N 1 1 393.896 3.952 20 5 GHBDMO C[N@H+](CCCOCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000439471293 853683202 /nfs/dbraw/zinc/68/32/02/853683202.db2.gz FZDDSAMKDQOYOK-UHFFFAOYSA-N 1 1 391.855 3.725 20 5 GHBDMO C[N@@H+](CCCOCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000439471293 853683211 /nfs/dbraw/zinc/68/32/11/853683211.db2.gz FZDDSAMKDQOYOK-UHFFFAOYSA-N 1 1 391.855 3.725 20 5 GHBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729483629 853781663 /nfs/dbraw/zinc/78/16/63/853781663.db2.gz JHPDZNSCKVFCFH-INIZCTEOSA-N 1 1 393.484 3.695 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@](C)(O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000129580487 853795482 /nfs/dbraw/zinc/79/54/82/853795482.db2.gz WWNWGKJYDAEQKP-OAQYLSRUSA-N 1 1 386.448 3.529 20 5 GHBDMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000571464691 853885603 /nfs/dbraw/zinc/88/56/03/853885603.db2.gz FDWDUJKQZVZZRR-AWEZNQCLSA-N 1 1 391.418 3.567 20 5 GHBDMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000571464691 853885605 /nfs/dbraw/zinc/88/56/05/853885605.db2.gz FDWDUJKQZVZZRR-AWEZNQCLSA-N 1 1 391.418 3.567 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)ccn1 ZINC000856534004 881344138 /nfs/dbraw/zinc/34/41/38/881344138.db2.gz BUXHVOIQOQATQS-KRWDZBQOSA-N 1 1 390.871 3.753 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000133558906 862593886 /nfs/dbraw/zinc/59/38/86/862593886.db2.gz CFRZPRZCMYMDSM-UHFFFAOYSA-N 1 1 392.506 3.794 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000133558906 862593901 /nfs/dbraw/zinc/59/39/01/862593901.db2.gz CFRZPRZCMYMDSM-UHFFFAOYSA-N 1 1 392.506 3.794 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301452914 854758802 /nfs/dbraw/zinc/75/88/02/854758802.db2.gz XYDYGPKQDYCSKN-SGTLLEGYSA-N 1 1 399.476 3.800 20 5 GHBDMO COc1ccc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000589326417 854792222 /nfs/dbraw/zinc/79/22/22/854792222.db2.gz FSXQXMLWUSPVDK-HXUWFJFHSA-N 1 1 383.492 3.995 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000045622688 855038134 /nfs/dbraw/zinc/03/81/34/855038134.db2.gz SYGDJTKSNODQMC-KRWDZBQOSA-N 1 1 396.491 3.969 20 5 GHBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000129524447 855129961 /nfs/dbraw/zinc/12/99/61/855129961.db2.gz ULLMPZYJUYNFEW-UHFFFAOYSA-N 1 1 393.443 3.679 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000129524447 855129966 /nfs/dbraw/zinc/12/99/66/855129966.db2.gz ULLMPZYJUYNFEW-UHFFFAOYSA-N 1 1 393.443 3.679 20 5 GHBDMO C[C@@H](c1ccccn1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301579168 855243937 /nfs/dbraw/zinc/24/39/37/855243937.db2.gz UFGKDROGLOEETA-ZDUSSCGKSA-N 1 1 380.370 3.892 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000553741390 855379147 /nfs/dbraw/zinc/37/91/47/855379147.db2.gz RWAJILVIKQDSOP-UHFFFAOYSA-N 1 1 399.369 3.801 20 5 GHBDMO CSc1cccc(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000553741428 855395789 /nfs/dbraw/zinc/39/57/89/855395789.db2.gz UFZMXMIFHNMGRP-UHFFFAOYSA-N 1 1 377.466 3.504 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000441530021 855584989 /nfs/dbraw/zinc/58/49/89/855584989.db2.gz PCWIFDOWRKSKNJ-QGZVFWFLSA-N 1 1 386.448 3.698 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591034918 855730336 /nfs/dbraw/zinc/73/03/36/855730336.db2.gz BQCIVFUWWFFCMH-JMVFIXPQSA-N 1 1 389.496 3.575 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000573243494 856020518 /nfs/dbraw/zinc/02/05/18/856020518.db2.gz PHOKXOBGMWBPQS-DZGCQCFKSA-N 1 1 397.401 3.842 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000536484021 856215925 /nfs/dbraw/zinc/21/59/25/856215925.db2.gz WYWYIWAJVIDVPO-UHFFFAOYSA-N 1 1 396.472 3.877 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCCOCC(F)(F)F)[C@H]1CC[C@H](O)CC1 ZINC000592130997 856670632 /nfs/dbraw/zinc/67/06/32/856670632.db2.gz OOLKDZHFAUYMKP-WKILWMFISA-N 1 1 390.402 3.669 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000733273262 862835675 /nfs/dbraw/zinc/83/56/75/862835675.db2.gz PNXLYGBPVGHMNS-KRWDZBQOSA-N 1 1 388.512 3.579 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000245458946 856874903 /nfs/dbraw/zinc/87/49/03/856874903.db2.gz VCCCLWIBFXAYHX-WMLDXEAASA-N 1 1 387.436 3.998 20 5 GHBDMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC001128863649 856883060 /nfs/dbraw/zinc/88/30/60/856883060.db2.gz LOSHILUUESJKSK-QFIPXVFZSA-N 1 1 395.503 3.959 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000173379291 856896519 /nfs/dbraw/zinc/89/65/19/856896519.db2.gz DEXZRKWGSFPFEY-OAHLLOKOSA-N 1 1 377.466 3.757 20 5 GHBDMO COc1cccc([C@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3C)CC[N@H+]2C2CC2)c1 ZINC000245533138 856936872 /nfs/dbraw/zinc/93/68/72/856936872.db2.gz DHLGMJCYJFBENO-RTWAWAEBSA-N 1 1 395.459 3.620 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3OCC(F)(F)F)C2)nc1 ZINC000173468275 856945867 /nfs/dbraw/zinc/94/58/67/856945867.db2.gz FUGZFIGDLNFKIT-CQSZACIVSA-N 1 1 396.369 3.617 20 5 GHBDMO C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1Cc1ccccc1 ZINC000173528029 856978567 /nfs/dbraw/zinc/97/85/67/856978567.db2.gz HSZOBDMIANAQOO-MRXNPFEDSA-N 1 1 392.459 3.813 20 5 GHBDMO CCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](C)C1 ZINC000592258429 856981319 /nfs/dbraw/zinc/98/13/19/856981319.db2.gz RIOMDCRUHIVHNN-ZDUSSCGKSA-N 1 1 399.289 3.614 20 5 GHBDMO CC(C)N(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592694820 857028075 /nfs/dbraw/zinc/02/80/75/857028075.db2.gz NSXOCBMPNJXMHX-LJQANCHMSA-N 1 1 385.439 3.859 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001128960641 857101167 /nfs/dbraw/zinc/10/11/67/857101167.db2.gz CAIHYXNEBXUMFV-OAHLLOKOSA-N 1 1 387.867 3.842 20 5 GHBDMO Cc1cc(C)c2c(c1)C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)CC2 ZINC000485863214 857164174 /nfs/dbraw/zinc/16/41/74/857164174.db2.gz WLRHWBJMFHQDPG-UHFFFAOYSA-N 1 1 381.432 3.568 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001128251047 857393427 /nfs/dbraw/zinc/39/34/27/857393427.db2.gz IZHIPXZMNNUVLF-SZRHCGQDSA-N 1 1 381.476 3.881 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1Cc1ccccc1 ZINC000520965647 857445574 /nfs/dbraw/zinc/44/55/74/857445574.db2.gz QAIDJKNYKKTVHH-HXUWFJFHSA-N 1 1 391.427 3.746 20 5 GHBDMO C[N@H+]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000592464136 857457487 /nfs/dbraw/zinc/45/74/87/857457487.db2.gz ZDTDSPCXOCUWDW-ZBFHGGJFSA-N 1 1 388.855 3.715 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000486227167 857567660 /nfs/dbraw/zinc/56/76/60/857567660.db2.gz BRHJUZQAIMEQHQ-GDBMZVCRSA-N 1 1 385.489 3.882 20 5 GHBDMO Cc1nc(C[NH+]2CCC(CNc3c(F)cc([N+](=O)[O-])cc3F)CC2)oc1C ZINC000301784227 857725777 /nfs/dbraw/zinc/72/57/77/857725777.db2.gz KRYXNQNOSOFJKO-UHFFFAOYSA-N 1 1 380.395 3.802 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000301794510 857768001 /nfs/dbraw/zinc/76/80/01/857768001.db2.gz SKXLQBKIQQGZGP-LRDDRELGSA-N 1 1 380.286 3.810 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000438956372 857851447 /nfs/dbraw/zinc/85/14/47/857851447.db2.gz WPVSTSOLKUHXKV-CQSZACIVSA-N 1 1 375.856 3.807 20 5 GHBDMO CCCc1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000078775059 858224295 /nfs/dbraw/zinc/22/42/95/858224295.db2.gz FNNZHXSGRQVAQJ-OAHLLOKOSA-N 1 1 399.495 3.575 20 5 GHBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000592795338 858257015 /nfs/dbraw/zinc/25/70/15/858257015.db2.gz WVIFDOBHHLSPHW-NSHDSACASA-N 1 1 384.358 3.640 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000595006153 858364408 /nfs/dbraw/zinc/36/44/08/858364408.db2.gz FVEQSEOFEJLORD-LLVKDONJSA-N 1 1 385.342 3.790 20 5 GHBDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000595331578 858462487 /nfs/dbraw/zinc/46/24/87/858462487.db2.gz ADUBSPUYQDHRLX-UHFFFAOYSA-N 1 1 385.439 3.571 20 5 GHBDMO Cc1noc(CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000595394170 858515732 /nfs/dbraw/zinc/51/57/32/858515732.db2.gz ABKORBSNXDFGMP-UHFFFAOYSA-N 1 1 390.443 3.779 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000595764469 858663437 /nfs/dbraw/zinc/66/34/37/858663437.db2.gz JGOFLBGAZTXWNN-NRFANRHFSA-N 1 1 394.431 3.817 20 5 GHBDMO COc1cc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c([N+](=O)[O-])cc1OC ZINC000184974640 858778403 /nfs/dbraw/zinc/77/84/03/858778403.db2.gz FNAKYHJUUJUOJT-CQSZACIVSA-N 1 1 391.493 3.552 20 5 GHBDMO COc1ccc(C[C@@H](C)N[C@H]2CC[N@H+](CC3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319695 881354204 /nfs/dbraw/zinc/35/42/04/881354204.db2.gz YRXCEBJTBSJJRZ-APWZRJJASA-N 1 1 375.513 3.779 20 5 GHBDMO COc1ccc(C[C@@H](C)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319695 881354220 /nfs/dbraw/zinc/35/42/20/881354220.db2.gz YRXCEBJTBSJJRZ-APWZRJJASA-N 1 1 375.513 3.779 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000593068012 858818891 /nfs/dbraw/zinc/81/88/91/858818891.db2.gz CDETXAXQGKIJSQ-UZLBHIALSA-N 1 1 399.466 3.788 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000185006730 858838205 /nfs/dbraw/zinc/83/82/05/858838205.db2.gz GIVKRMSOMLPMBT-CQSZACIVSA-N 1 1 388.493 3.637 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000185006730 858838214 /nfs/dbraw/zinc/83/82/14/858838214.db2.gz GIVKRMSOMLPMBT-CQSZACIVSA-N 1 1 388.493 3.637 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1C(F)(F)F ZINC000596424904 858893797 /nfs/dbraw/zinc/89/37/97/858893797.db2.gz UYDYXFWRSDXXNZ-MRXNPFEDSA-N 1 1 395.381 3.792 20 5 GHBDMO COc1cccc(C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000068253891 858953267 /nfs/dbraw/zinc/95/32/67/858953267.db2.gz QWIMDUYPRDOQCL-LJQANCHMSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cccc(C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000068253891 858953273 /nfs/dbraw/zinc/95/32/73/858953273.db2.gz QWIMDUYPRDOQCL-LJQANCHMSA-N 1 1 386.448 3.793 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)cc1OC ZINC000429299662 858971579 /nfs/dbraw/zinc/97/15/79/858971579.db2.gz ZURQDCHXSSKUEO-MPTYRVRUSA-N 1 1 380.485 3.762 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)cc1OC ZINC000429299662 858971586 /nfs/dbraw/zinc/97/15/86/858971586.db2.gz ZURQDCHXSSKUEO-MPTYRVRUSA-N 1 1 380.485 3.762 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+](Cc2ccccc2)CC(OC)OC)c([N+](=O)[O-])c1 ZINC001170329899 881367775 /nfs/dbraw/zinc/36/77/75/881367775.db2.gz WLLQTXZVBIHCTE-INIZCTEOSA-N 1 1 388.464 3.656 20 5 GHBDMO CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000596888734 859127813 /nfs/dbraw/zinc/12/78/13/859127813.db2.gz QVFFZCPDPNBGBX-CYBMUJFWSA-N 1 1 399.289 3.614 20 5 GHBDMO CCc1nn(C)c(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301932273 859163640 /nfs/dbraw/zinc/16/36/40/859163640.db2.gz MIWVZPPTFZAWGU-HNNXBMFYSA-N 1 1 395.866 3.932 20 5 GHBDMO C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000601420199 859249292 /nfs/dbraw/zinc/24/92/92/859249292.db2.gz CDKOZQCGSVUSMJ-DLBZAZTESA-N 1 1 385.508 3.786 20 5 GHBDMO O=C(C[N@@H+](CC1CC1)CC1CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000483277339 859264992 /nfs/dbraw/zinc/26/49/92/859264992.db2.gz JQOACWRCQMYKJE-UHFFFAOYSA-N 1 1 396.285 3.808 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597231168 859365748 /nfs/dbraw/zinc/36/57/48/859365748.db2.gz NYZJHWXGFPHSGV-MOPGFXCFSA-N 1 1 398.459 3.651 20 5 GHBDMO COCC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000483486677 859408965 /nfs/dbraw/zinc/40/89/65/859408965.db2.gz FUFAGTUSGGXSBE-KRWDZBQOSA-N 1 1 384.480 3.800 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611200891 859648279 /nfs/dbraw/zinc/64/82/79/859648279.db2.gz ZBGUJHHOUTWPAP-HUUCEWRRSA-N 1 1 389.521 3.986 20 5 GHBDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCC2 ZINC000611271697 859675796 /nfs/dbraw/zinc/67/57/96/859675796.db2.gz YKTVPTYKZFZGBP-AWEZNQCLSA-N 1 1 375.450 3.640 20 5 GHBDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCC2 ZINC000611271697 859675800 /nfs/dbraw/zinc/67/58/00/859675800.db2.gz YKTVPTYKZFZGBP-AWEZNQCLSA-N 1 1 375.450 3.640 20 5 GHBDMO COc1ccc(C[N@H+](C)Cc2cn[nH]c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611271957 859675822 /nfs/dbraw/zinc/67/58/22/859675822.db2.gz WAPVJRBTFROYJQ-UHFFFAOYSA-N 1 1 382.420 3.538 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2cn[nH]c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611271957 859675823 /nfs/dbraw/zinc/67/58/23/859675823.db2.gz WAPVJRBTFROYJQ-UHFFFAOYSA-N 1 1 382.420 3.538 20 5 GHBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000597606290 859677993 /nfs/dbraw/zinc/67/79/93/859677993.db2.gz WCCMLUROLHZTLP-IBGZPJMESA-N 1 1 396.491 3.763 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](CSc3ccccc3)C1)OCCO2 ZINC000611274596 859678355 /nfs/dbraw/zinc/67/83/55/859678355.db2.gz KGXJFTOQVZNOMQ-HNNXBMFYSA-N 1 1 386.473 3.980 20 5 GHBDMO Cc1nn(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000764953842 859696352 /nfs/dbraw/zinc/69/63/52/859696352.db2.gz JDYAACGLPCINQN-HNNXBMFYSA-N 1 1 385.493 3.651 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1CNc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000602019572 859705587 /nfs/dbraw/zinc/70/55/87/859705587.db2.gz HAWNJIUHOFPTDE-OXJNMPFZSA-N 1 1 377.448 3.607 20 5 GHBDMO CC(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCCO2 ZINC000611376704 859734323 /nfs/dbraw/zinc/73/43/23/859734323.db2.gz ITUXHMWREDEFCS-HXUWFJFHSA-N 1 1 383.404 3.994 20 5 GHBDMO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543459168 859777431 /nfs/dbraw/zinc/77/74/31/859777431.db2.gz QRQURJLUJPRQTP-YJBOKZPZSA-N 1 1 385.439 3.570 20 5 GHBDMO COc1cc(C[NH+]2CC(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611550190 859808114 /nfs/dbraw/zinc/80/81/14/859808114.db2.gz LTXYBUFYJJPWAS-UHFFFAOYSA-N 1 1 392.402 3.922 20 5 GHBDMO COc1ccc(C[C@H](C)N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170347158 881470516 /nfs/dbraw/zinc/47/05/16/881470516.db2.gz QWSAXIRJEYNJHA-NYDSKATKSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170347158 881470522 /nfs/dbraw/zinc/47/05/22/881470522.db2.gz QWSAXIRJEYNJHA-NYDSKATKSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170347158 881470530 /nfs/dbraw/zinc/47/05/30/881470530.db2.gz QWSAXIRJEYNJHA-NYDSKATKSA-N 1 1 395.503 3.741 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597855019 859873394 /nfs/dbraw/zinc/87/33/94/859873394.db2.gz PBLAICDGAJAQEJ-CYBMUJFWSA-N 1 1 388.493 3.569 20 5 GHBDMO COC(=O)COc1ccc(CNc2ccc([NH+]3CCCC3)cc2C)cc1[N+](=O)[O-] ZINC000474363948 859936370 /nfs/dbraw/zinc/93/63/70/859936370.db2.gz RZFDODKRPWSQHV-UHFFFAOYSA-N 1 1 399.447 3.667 20 5 GHBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484364401 859973173 /nfs/dbraw/zinc/97/31/73/859973173.db2.gz XAMOYIXCYACSND-OAHLLOKOSA-N 1 1 376.375 3.893 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000123709833 860048869 /nfs/dbraw/zinc/04/88/69/860048869.db2.gz MEJAJNNBDUMVPQ-OAHLLOKOSA-N 1 1 397.353 3.774 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC001170352109 881498573 /nfs/dbraw/zinc/49/85/73/881498573.db2.gz LMVNRPDBWNKURL-OAHLLOKOSA-N 1 1 395.500 3.770 20 5 GHBDMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000092705109 860109018 /nfs/dbraw/zinc/10/90/18/860109018.db2.gz IGVZHUZXMYWXLN-ZDUSSCGKSA-N 1 1 391.855 3.999 20 5 GHBDMO CCc1ccc([C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)cc1 ZINC000484555754 860114710 /nfs/dbraw/zinc/11/47/10/860114710.db2.gz RKIMWNANFKVZIB-OAQYLSRUSA-N 1 1 397.475 3.868 20 5 GHBDMO CCc1ccc([C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)cc1 ZINC000484555754 860114713 /nfs/dbraw/zinc/11/47/13/860114713.db2.gz RKIMWNANFKVZIB-OAQYLSRUSA-N 1 1 397.475 3.868 20 5 GHBDMO CN1Cc2ccccc2[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602580458 860143563 /nfs/dbraw/zinc/14/35/63/860143563.db2.gz NXFDXIJTLDCICZ-CQSZACIVSA-N 1 1 382.283 3.695 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000895943219 860144954 /nfs/dbraw/zinc/14/49/54/860144954.db2.gz WCQTVJKJIGJCLT-VIFPVBQESA-N 1 1 378.231 3.501 20 5 GHBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895953999 860158558 /nfs/dbraw/zinc/15/85/58/860158558.db2.gz UNAACBHQCDFFQS-UHFFFAOYSA-N 1 1 389.214 3.791 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccncc1 ZINC000602658453 860195446 /nfs/dbraw/zinc/19/54/46/860195446.db2.gz YCTPJFBAGVDKIQ-SFHVURJKSA-N 1 1 395.463 3.618 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)nc2c1 ZINC000602662102 860198944 /nfs/dbraw/zinc/19/89/44/860198944.db2.gz MDKHEPYXZKIRFM-LMMKCTJWSA-N 1 1 379.416 3.741 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000602705361 860221247 /nfs/dbraw/zinc/22/12/47/860221247.db2.gz KOFJEXIBLHURMJ-UHFFFAOYSA-N 1 1 380.248 3.712 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3cccc(COC[C@H]4CCCO4)c3)nc2c1 ZINC000602716448 860228097 /nfs/dbraw/zinc/22/80/97/860228097.db2.gz ICZYVWIAOAYQKS-GOSISDBHSA-N 1 1 397.431 3.721 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCOCc1ccccc1 ZINC000154696062 860233684 /nfs/dbraw/zinc/23/36/84/860233684.db2.gz WRVLQXPPFKAVEU-AWEZNQCLSA-N 1 1 391.855 3.724 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCOCc1ccccc1 ZINC000154696062 860233692 /nfs/dbraw/zinc/23/36/92/860233692.db2.gz WRVLQXPPFKAVEU-AWEZNQCLSA-N 1 1 391.855 3.724 20 5 GHBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093420724 860269726 /nfs/dbraw/zinc/26/97/26/860269726.db2.gz GXCZBHVAZWHARM-CHWSQXEVSA-N 1 1 382.507 3.577 20 5 GHBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093420724 860269742 /nfs/dbraw/zinc/26/97/42/860269742.db2.gz GXCZBHVAZWHARM-CHWSQXEVSA-N 1 1 382.507 3.577 20 5 GHBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000598395078 860276999 /nfs/dbraw/zinc/27/69/99/860276999.db2.gz BFIKWKTWDPXGKO-QGZVFWFLSA-N 1 1 397.450 3.766 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000124379090 860345165 /nfs/dbraw/zinc/34/51/65/860345165.db2.gz XPJWRXCCKJVEJQ-OAHLLOKOSA-N 1 1 397.903 3.501 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000613229129 860358378 /nfs/dbraw/zinc/35/83/78/860358378.db2.gz XIXOBNGLZOOMAQ-GOSISDBHSA-N 1 1 392.459 3.974 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000124426693 860366190 /nfs/dbraw/zinc/36/61/90/860366190.db2.gz NMBAVTJBLIZLPN-GOSISDBHSA-N 1 1 388.512 3.637 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000552251393 860408728 /nfs/dbraw/zinc/40/87/28/860408728.db2.gz VDJSDFLKTGFDIM-IBGZPJMESA-N 1 1 384.411 3.616 20 5 GHBDMO CCO[C@H](CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000552250124 860408853 /nfs/dbraw/zinc/40/88/53/860408853.db2.gz VNVJZOKQLSAPKD-WOJBJXKFSA-N 1 1 386.496 3.993 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552280359 860416960 /nfs/dbraw/zinc/41/69/60/860416960.db2.gz DWMAZLQKQTVBLP-SESVDKBCSA-N 1 1 392.459 3.928 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@@H](Cc4ccccc4)C3)n2)cc1 ZINC000729984948 860485619 /nfs/dbraw/zinc/48/56/19/860485619.db2.gz BOOPUSYALNXTBZ-SFHVURJKSA-N 1 1 377.448 3.766 20 5 GHBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](COC)Cc1ccccc1 ZINC000552315069 860507869 /nfs/dbraw/zinc/50/78/69/860507869.db2.gz BTAYLBZTXUECSU-FQEVSTJZSA-N 1 1 386.448 3.541 20 5 GHBDMO Cc1sc(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025541549 860534800 /nfs/dbraw/zinc/53/48/00/860534800.db2.gz LEOMYMLELORALB-SFHVURJKSA-N 1 1 387.505 3.777 20 5 GHBDMO CCc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000552679158 860554838 /nfs/dbraw/zinc/55/48/38/860554838.db2.gz RQHZNHZSUVKZHA-QHCPKHFHSA-N 1 1 393.487 3.895 20 5 GHBDMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000025549384 860570828 /nfs/dbraw/zinc/57/08/28/860570828.db2.gz GJSWBPNOIAVVSO-UHFFFAOYSA-N 1 1 387.439 3.863 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000603497584 860768897 /nfs/dbraw/zinc/76/88/97/860768897.db2.gz FAPFTGFLDAZSCG-PKOBYXMFSA-N 1 1 376.840 3.825 20 5 GHBDMO COc1ncc(Br)cc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599069594 860775873 /nfs/dbraw/zinc/77/58/73/860775873.db2.gz FCCFYNJHFSXXRO-AWEZNQCLSA-N 1 1 378.226 3.538 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)c(OC(F)F)c1 ZINC000509071149 860801236 /nfs/dbraw/zinc/80/12/36/860801236.db2.gz WBTOOYDHIWDFLP-UHFFFAOYSA-N 1 1 393.390 3.641 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899508939 860945879 /nfs/dbraw/zinc/94/58/79/860945879.db2.gz UEQDWMZECMFHMG-QGZVFWFLSA-N 1 1 384.480 3.910 20 5 GHBDMO Cc1[nH+]ccn1CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000522708817 863120639 /nfs/dbraw/zinc/12/06/39/863120639.db2.gz KIJZWKZPXPHOOE-UHFFFAOYSA-N 1 1 381.392 3.714 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000251516059 863203154 /nfs/dbraw/zinc/20/31/54/863203154.db2.gz CJTUFLYKQGYRRO-LPHOPBHVSA-N 1 1 391.512 3.585 20 5 GHBDMO CC(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000482488529 863209582 /nfs/dbraw/zinc/20/95/82/863209582.db2.gz MSZCIZHGJYPXQF-UHFFFAOYSA-N 1 1 385.489 3.912 20 5 GHBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856729993 881697335 /nfs/dbraw/zinc/69/73/35/881697335.db2.gz CGAHEGQGSAQHHV-ZDUSSCGKSA-N 1 1 391.269 3.636 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172905119 864105174 /nfs/dbraw/zinc/10/51/74/864105174.db2.gz DCZQPHKYNICZLB-RHSMWYFYSA-N 1 1 381.411 3.828 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)nc1-c1ccncc1 ZINC000172905068 864105436 /nfs/dbraw/zinc/10/54/36/864105436.db2.gz YJXJWGXLAQYALB-INIZCTEOSA-N 1 1 381.411 3.515 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000063069725 864105524 /nfs/dbraw/zinc/10/55/24/864105524.db2.gz KYEXMOYEMUMBQG-QGZVFWFLSA-N 1 1 396.491 3.969 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000734298034 864130065 /nfs/dbraw/zinc/13/00/65/864130065.db2.gz GTKXKDYGTJMXCW-QGZVFWFLSA-N 1 1 384.432 3.672 20 5 GHBDMO C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000475128499 864267153 /nfs/dbraw/zinc/26/71/53/864267153.db2.gz IKROHYRQUJPGMP-JXFKEZNVSA-N 1 1 382.464 3.572 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)CC[C@@H]21 ZINC000897018517 864284270 /nfs/dbraw/zinc/28/42/70/864284270.db2.gz ZKWUOOIHFGFOFW-CABZTGNLSA-N 1 1 390.242 3.597 20 5 GHBDMO CC(C)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000127104769 864329886 /nfs/dbraw/zinc/32/98/86/864329886.db2.gz WCWYZAVNWOAEJK-SFHVURJKSA-N 1 1 382.464 3.624 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2CCCc3cccnc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000897071994 864403240 /nfs/dbraw/zinc/40/32/40/864403240.db2.gz RQHVJTZKIFGYFZ-CQSZACIVSA-N 1 1 393.390 3.810 20 5 GHBDMO CCN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1c1ncc[nH]1 ZINC000475349756 864826624 /nfs/dbraw/zinc/82/66/24/864826624.db2.gz IKMNZAMMJOBICQ-SFHVURJKSA-N 1 1 397.504 3.925 20 5 GHBDMO COc1cc2c(cc1OC)CC[NH+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000735493276 864827737 /nfs/dbraw/zinc/82/77/37/864827737.db2.gz NYEBDMFVXGJGLW-UHFFFAOYSA-N 1 1 376.840 3.866 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000843804426 865141235 /nfs/dbraw/zinc/14/12/35/865141235.db2.gz YPVSQBCEEPHRBP-OAHLLOKOSA-N 1 1 385.439 3.779 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000608805031 865710901 /nfs/dbraw/zinc/71/09/01/865710901.db2.gz KVEMVRITTJXVMX-HNNXBMFYSA-N 1 1 385.468 3.540 20 5 GHBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000608915841 865812089 /nfs/dbraw/zinc/81/20/89/865812089.db2.gz MOBLMDYSHPPHOF-ULQDDVLXSA-N 1 1 390.528 3.537 20 5 GHBDMO CSc1ccccc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481180801 865941586 /nfs/dbraw/zinc/94/15/86/865941586.db2.gz MISNYCSORABPJQ-UHFFFAOYSA-N 1 1 397.504 3.905 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000737414460 866213012 /nfs/dbraw/zinc/21/30/12/866213012.db2.gz ZGDVCJHTHOEWHI-AEFFLSMTSA-N 1 1 379.464 3.732 20 5 GHBDMO CCOC(=O)c1ccnc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1[N+](=O)[O-] ZINC000523112487 866498291 /nfs/dbraw/zinc/49/82/91/866498291.db2.gz ICMCNRPKZAUYAV-UHFFFAOYSA-N 1 1 395.419 3.986 20 5 GHBDMO NC(=O)CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000122094350 866500070 /nfs/dbraw/zinc/50/00/70/866500070.db2.gz UABOSCJMWGMDEE-UHFFFAOYSA-N 1 1 379.416 3.732 20 5 GHBDMO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(-n2cccn2)c1 ZINC000183595446 866892475 /nfs/dbraw/zinc/89/24/75/866892475.db2.gz SQSUONKTMHNVDH-AWEZNQCLSA-N 1 1 390.403 3.681 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000183634273 866943952 /nfs/dbraw/zinc/94/39/52/866943952.db2.gz UEZMHEYBHGOGNV-UXHICEINSA-N 1 1 389.883 3.718 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)OCc1ccccc1 ZINC000793293633 882071191 /nfs/dbraw/zinc/07/11/91/882071191.db2.gz BVDDMHBIIVKSEH-SFHVURJKSA-N 1 1 383.448 3.733 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000457085953 867635428 /nfs/dbraw/zinc/63/54/28/867635428.db2.gz ICFHVQMKUHOXQW-CQSZACIVSA-N 1 1 399.441 3.514 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000442719251 868371519 /nfs/dbraw/zinc/37/15/19/868371519.db2.gz RKXKGFLMQZRKFO-GJZGRUSLSA-N 1 1 385.489 3.959 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000535367749 868637568 /nfs/dbraw/zinc/63/75/68/868637568.db2.gz TWGYNYNGQGNIQI-QAPCUYQASA-N 1 1 392.459 3.570 20 5 GHBDMO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000479893973 868693870 /nfs/dbraw/zinc/69/38/70/868693870.db2.gz SHBZBWJYUAQMGQ-UHFFFAOYSA-N 1 1 396.216 3.533 20 5 GHBDMO CC[C@@H](CO)[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC000544407355 869055685 /nfs/dbraw/zinc/05/56/85/869055685.db2.gz HLPWHETZEYUWLG-SFHVURJKSA-N 1 1 385.464 3.505 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000021920785 869059250 /nfs/dbraw/zinc/05/92/50/869059250.db2.gz SZESPZYIQMCSDG-GFCCVEGCSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000021920785 869059264 /nfs/dbraw/zinc/05/92/64/869059264.db2.gz SZESPZYIQMCSDG-GFCCVEGCSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@H](C[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OC(C)(C)C ZINC000459812017 869063146 /nfs/dbraw/zinc/06/31/46/869063146.db2.gz RKPGUFIPAZRKGI-CHWSQXEVSA-N 1 1 390.440 3.615 20 5 GHBDMO COc1cc(CNCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000539548307 869328177 /nfs/dbraw/zinc/32/81/77/869328177.db2.gz YGCXSPNKGBYWOE-UHFFFAOYSA-N 1 1 397.475 3.534 20 5 GHBDMO COc1cc(CNCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000539548307 869328187 /nfs/dbraw/zinc/32/81/87/869328187.db2.gz YGCXSPNKGBYWOE-UHFFFAOYSA-N 1 1 397.475 3.534 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1OC ZINC000446059600 869352172 /nfs/dbraw/zinc/35/21/72/869352172.db2.gz JIVFDXWUAKERTI-IFXJQAMLSA-N 1 1 380.485 3.621 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)C(C)(C)C2)cc1OC ZINC000446059600 869352179 /nfs/dbraw/zinc/35/21/79/869352179.db2.gz JIVFDXWUAKERTI-IFXJQAMLSA-N 1 1 380.485 3.621 20 5 GHBDMO CCc1cc(N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000524841869 869664450 /nfs/dbraw/zinc/66/44/50/869664450.db2.gz OMJBLKZFJRTTOZ-HNAYVOBHSA-N 1 1 383.496 3.923 20 5 GHBDMO COc1cc(OC)cc(N2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000539863647 869915228 /nfs/dbraw/zinc/91/52/28/869915228.db2.gz MYPJIGVMFSQYPB-VMPITWQZSA-N 1 1 397.475 3.838 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000462753628 870002290 /nfs/dbraw/zinc/00/22/90/870002290.db2.gz LVBTYHZJXZJSLI-PKOBYXMFSA-N 1 1 375.513 3.934 20 5 GHBDMO CCCCOc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OC ZINC000446837553 870456473 /nfs/dbraw/zinc/45/64/73/870456473.db2.gz YAUPWRWFRKDSLR-UHFFFAOYSA-N 1 1 384.436 3.948 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850363 870539577 /nfs/dbraw/zinc/53/95/77/870539577.db2.gz YKVVRNOAQLDSAM-UHFFFAOYSA-N 1 1 381.480 3.719 20 5 GHBDMO CNc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000462998437 870619760 /nfs/dbraw/zinc/61/97/60/870619760.db2.gz WGHXDHKJZLQZNU-UGSOOPFHSA-N 1 1 388.493 3.511 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000475647975 870727167 /nfs/dbraw/zinc/72/71/67/870727167.db2.gz HXWUYHYFOZGZGA-UHFFFAOYSA-N 1 1 382.464 3.604 20 5 GHBDMO Cc1cc(Br)cc2c1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000775561361 870834870 /nfs/dbraw/zinc/83/48/70/870834870.db2.gz QCSPRWTYVBVGPG-GOSISDBHSA-N 1 1 391.265 3.757 20 5 GHBDMO Cc1cc(Br)cc2c1C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000775561361 870834879 /nfs/dbraw/zinc/83/48/79/870834879.db2.gz QCSPRWTYVBVGPG-GOSISDBHSA-N 1 1 391.265 3.757 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169010198 871094473 /nfs/dbraw/zinc/09/44/73/871094473.db2.gz ZVCJLVOMNXCDHN-DLBZAZTESA-N 1 1 381.517 3.545 20 5 GHBDMO CC(C)(C)OC(=O)N1CCCC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169013417 871097610 /nfs/dbraw/zinc/09/76/10/871097610.db2.gz UXEGUDKSYLLWJD-SQGPQFPESA-N 1 1 381.517 3.687 20 5 GHBDMO CC[C@H](C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)Oc1ccc(Cl)c(Cl)c1 ZINC001193485105 871121609 /nfs/dbraw/zinc/12/16/09/871121609.db2.gz NOPFTZXYKAJNDN-GFCCVEGCSA-N 1 1 387.267 3.888 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000181514969 871125792 /nfs/dbraw/zinc/12/57/92/871125792.db2.gz LXIQCVDSDOPCCK-UHFFFAOYSA-N 1 1 392.253 3.821 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](Cc4ccccc4)C3)o2)c1 ZINC000181539416 871142632 /nfs/dbraw/zinc/14/26/32/871142632.db2.gz SKPIUPZOCQZLCC-HXUWFJFHSA-N 1 1 393.443 3.736 20 5 GHBDMO COc1cc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc([N+](=O)[O-])c1OC ZINC000540433713 871304040 /nfs/dbraw/zinc/30/40/40/871304040.db2.gz UQPXGJZRXXSJFS-UHFFFAOYSA-N 1 1 399.447 3.501 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000539134973 871390348 /nfs/dbraw/zinc/39/03/48/871390348.db2.gz LNHILXHQVXFQHZ-UHFFFAOYSA-N 1 1 375.513 3.744 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000539135050 871390820 /nfs/dbraw/zinc/39/08/20/871390820.db2.gz NCEQDHWRHIQNSB-UHFFFAOYSA-N 1 1 390.528 3.613 20 5 GHBDMO CCOc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000441254684 871575754 /nfs/dbraw/zinc/57/57/54/871575754.db2.gz CLYRQYYURAQYHV-UHFFFAOYSA-N 1 1 383.448 3.987 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000181982007 871686570 /nfs/dbraw/zinc/68/65/70/871686570.db2.gz CGMMBNIODZVVPJ-MNOVXSKESA-N 1 1 379.363 3.559 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC[C@@H]21 ZINC000618587929 871735134 /nfs/dbraw/zinc/73/51/34/871735134.db2.gz BKUFGZVBUVBNOG-QWRGUYRKSA-N 1 1 394.344 3.564 20 5 GHBDMO Nc1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000804336088 871796937 /nfs/dbraw/zinc/79/69/37/871796937.db2.gz IVZJDJMNLSQNJR-UHFFFAOYSA-N 1 1 380.370 3.518 20 5 GHBDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC000508632480 882632676 /nfs/dbraw/zinc/63/26/76/882632676.db2.gz VEEOBMLBPNZXQV-CYBMUJFWSA-N 1 1 388.420 3.637 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000463971901 872996933 /nfs/dbraw/zinc/99/69/33/872996933.db2.gz VBGAGNBXWVMXNL-FUHWJXTLSA-N 1 1 382.464 3.996 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000463971902 872997040 /nfs/dbraw/zinc/99/70/40/872997040.db2.gz VBGAGNBXWVMXNL-SJLPKXTDSA-N 1 1 382.464 3.996 20 5 GHBDMO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1OC(C)C ZINC000768153079 873115443 /nfs/dbraw/zinc/11/54/43/873115443.db2.gz ZZWJXXBEOBMFAX-UHFFFAOYSA-N 1 1 385.464 3.713 20 5 GHBDMO CN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000464044968 873116045 /nfs/dbraw/zinc/11/60/45/873116045.db2.gz HIFMHYYVYXXVBW-OAHLLOKOSA-N 1 1 385.489 3.912 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768542306 873373426 /nfs/dbraw/zinc/37/34/26/873373426.db2.gz SDQPNAYFOORWTL-CQSZACIVSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768542306 873373437 /nfs/dbraw/zinc/37/34/37/873373437.db2.gz SDQPNAYFOORWTL-CQSZACIVSA-N 1 1 383.876 3.985 20 5 GHBDMO CC[N@@H+](CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)CCC(F)(F)F ZINC000494637404 882736834 /nfs/dbraw/zinc/73/68/34/882736834.db2.gz OHSVQHTZMFDAJY-UHFFFAOYSA-N 1 1 376.379 3.607 20 5 GHBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(OC)c1OC ZINC001197106104 873601611 /nfs/dbraw/zinc/60/16/11/873601611.db2.gz XBEXSXNZEVJKOB-OAHLLOKOSA-N 1 1 375.381 3.761 20 5 GHBDMO Cc1[nH+]ccn1CCCCOC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000769101175 873788448 /nfs/dbraw/zinc/78/84/48/873788448.db2.gz HOHDXINXGHHNBT-UHFFFAOYSA-N 1 1 389.455 3.683 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000769060744 873792515 /nfs/dbraw/zinc/79/25/15/873792515.db2.gz AEQSNJQOYVOSPI-HNNXBMFYSA-N 1 1 387.436 3.954 20 5 GHBDMO C[N@@H+](CCOC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccc(F)cc1 ZINC000769133770 873832962 /nfs/dbraw/zinc/83/29/62/873832962.db2.gz VADPJAHQZNYEFZ-UHFFFAOYSA-N 1 1 398.337 3.624 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448778724 873955603 /nfs/dbraw/zinc/95/56/03/873955603.db2.gz WSQKCEVDEDPCCO-LBPRGKRZSA-N 1 1 387.402 3.854 20 5 GHBDMO CC[N@@H+](Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)[C@@H]1CCOC1 ZINC000463029905 873968795 /nfs/dbraw/zinc/96/87/95/873968795.db2.gz GAJXMLZGEADPGT-LJQANCHMSA-N 1 1 386.448 3.793 20 5 GHBDMO CCC1(CC)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000464578985 874110032 /nfs/dbraw/zinc/11/00/32/874110032.db2.gz QQTRJJJBJFWYTK-UHFFFAOYSA-N 1 1 381.498 3.540 20 5 GHBDMO CCC1(CC)C[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000464578120 874111426 /nfs/dbraw/zinc/11/14/26/874111426.db2.gz TWEGCYOVJMJUBO-CYBMUJFWSA-N 1 1 381.498 3.538 20 5 GHBDMO CCC1(CC)C[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000464578120 874111431 /nfs/dbraw/zinc/11/14/31/874111431.db2.gz TWEGCYOVJMJUBO-CYBMUJFWSA-N 1 1 381.498 3.538 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000770021874 874410673 /nfs/dbraw/zinc/41/06/73/874410673.db2.gz XPJHNDZIGJAZKL-CZUORRHYSA-N 1 1 398.891 3.507 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2CCO)cc1OC ZINC000541985234 874673251 /nfs/dbraw/zinc/67/32/51/874673251.db2.gz XSZICPJCHWRCRP-NVXWUHKLSA-N 1 1 380.485 3.765 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000449459777 874885503 /nfs/dbraw/zinc/88/55/03/874885503.db2.gz LWFCTXPEMMCDRZ-SYEXPRJDSA-N 1 1 396.491 3.628 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000542266342 875284010 /nfs/dbraw/zinc/28/40/10/875284010.db2.gz WNXDGWRQUKXISH-MRXNPFEDSA-N 1 1 388.851 3.777 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000542266342 875284016 /nfs/dbraw/zinc/28/40/16/875284016.db2.gz WNXDGWRQUKXISH-MRXNPFEDSA-N 1 1 388.851 3.777 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c2c(c1)COCO2 ZINC000449767447 875364504 /nfs/dbraw/zinc/36/45/04/875364504.db2.gz QGLLEUPDHOSCKC-SFHVURJKSA-N 1 1 390.461 3.516 20 5 GHBDMO Cc1[nH+]ccn1CCOC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000771882908 875513398 /nfs/dbraw/zinc/51/33/98/875513398.db2.gz VUVADDTYTAVUIB-UHFFFAOYSA-N 1 1 380.404 3.569 20 5 GHBDMO CCOc1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000491608097 875863870 /nfs/dbraw/zinc/86/38/70/875863870.db2.gz UMWVPIRNPHZRBW-HNNXBMFYSA-N 1 1 395.253 3.579 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000030268803 875949021 /nfs/dbraw/zinc/94/90/21/875949021.db2.gz WGBWKCBGKLKNQV-UHFFFAOYSA-N 1 1 389.427 3.772 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000776278292 876161638 /nfs/dbraw/zinc/16/16/38/876161638.db2.gz UHOAGWDVSUMSJK-GMXVVIOVSA-N 1 1 386.292 3.691 20 5 GHBDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000537659501 883006651 /nfs/dbraw/zinc/00/66/51/883006651.db2.gz VQZVUUUNCNQFDJ-UHFFFAOYSA-N 1 1 385.464 3.633 20 5 GHBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000492334055 876643837 /nfs/dbraw/zinc/64/38/37/876643837.db2.gz MTVINASBDMJOTR-UHFFFAOYSA-N 1 1 387.867 3.985 20 5 GHBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000492334055 876643841 /nfs/dbraw/zinc/64/38/41/876643841.db2.gz MTVINASBDMJOTR-UHFFFAOYSA-N 1 1 387.867 3.985 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000492459655 876896947 /nfs/dbraw/zinc/89/69/47/876896947.db2.gz GPGYRKBGJPGWHZ-UHFFFAOYSA-N 1 1 389.496 3.654 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000850459753 876941505 /nfs/dbraw/zinc/94/15/05/876941505.db2.gz FRSAFWZETUVKSE-HNNXBMFYSA-N 1 1 399.491 3.906 20 5 GHBDMO COc1cc(Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)c([N+](=O)[O-])cc1OCC(F)F ZINC000451000031 877207727 /nfs/dbraw/zinc/20/77/27/877207727.db2.gz MXDPSHHCJDJZEK-RYUDHWBXSA-N 1 1 395.406 3.863 20 5 GHBDMO COc1cc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000492660827 877315897 /nfs/dbraw/zinc/31/58/97/877315897.db2.gz OQYQIQDNSSXTSO-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000492660827 877315919 /nfs/dbraw/zinc/31/59/19/877315919.db2.gz OQYQIQDNSSXTSO-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO CC[N@@H+](Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)CC(C)(C)O ZINC000093437191 912263836 /nfs/dbraw/zinc/26/38/36/912263836.db2.gz RMZNSGDMETYXLN-UHFFFAOYSA-N 1 1 388.464 3.775 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@]2(C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000530495940 877931489 /nfs/dbraw/zinc/93/14/89/877931489.db2.gz ZBSLPQCOHMONIQ-NRFANRHFSA-N 1 1 386.448 3.529 20 5 GHBDMO C[N@H+](CCCCO)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788282490 877992475 /nfs/dbraw/zinc/99/24/75/877992475.db2.gz QNMHJYXZBHXDHX-GOSISDBHSA-N 1 1 391.855 3.632 20 5 GHBDMO C[N@@H+](CCCCO)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788282490 877992483 /nfs/dbraw/zinc/99/24/83/877992483.db2.gz QNMHJYXZBHXDHX-GOSISDBHSA-N 1 1 391.855 3.632 20 5 GHBDMO Cn1c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nnc1-c1ccccc1 ZINC000451547652 878123599 /nfs/dbraw/zinc/12/35/99/878123599.db2.gz LIVYSPCZKFCWOV-GOSISDBHSA-N 1 1 377.448 3.770 20 5 GHBDMO Cn1c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nnc1-c1ccccc1 ZINC000451547652 878123611 /nfs/dbraw/zinc/12/36/11/878123611.db2.gz LIVYSPCZKFCWOV-GOSISDBHSA-N 1 1 377.448 3.770 20 5 GHBDMO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451578742 878187127 /nfs/dbraw/zinc/18/71/27/878187127.db2.gz XMCAOXLAXDXQGW-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451578742 878187136 /nfs/dbraw/zinc/18/71/36/878187136.db2.gz XMCAOXLAXDXQGW-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580317 878191955 /nfs/dbraw/zinc/19/19/55/878191955.db2.gz TZWPZFKZUPNGOO-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580317 878191960 /nfs/dbraw/zinc/19/19/60/878191960.db2.gz TZWPZFKZUPNGOO-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000776591705 878297508 /nfs/dbraw/zinc/29/75/08/878297508.db2.gz GCUMHPJBARSKFN-QFIPXVFZSA-N 1 1 395.434 3.907 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152458285 878552743 /nfs/dbraw/zinc/55/27/43/878552743.db2.gz YBGMMRUAQPXJFD-INIZCTEOSA-N 1 1 377.828 3.798 20 5 GHBDMO O=[N+]([O-])c1nn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1Br ZINC000795687410 912393952 /nfs/dbraw/zinc/39/39/52/912393952.db2.gz LESKSBBNKOVIGP-FMKPAKJESA-N 1 1 391.269 3.779 20 5 GHBDMO O=[N+]([O-])c1nn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1Br ZINC000795687410 912393963 /nfs/dbraw/zinc/39/39/63/912393963.db2.gz LESKSBBNKOVIGP-FMKPAKJESA-N 1 1 391.269 3.779 20 5 GHBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1OC(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000538142922 878887812 /nfs/dbraw/zinc/88/78/12/878887812.db2.gz DPEVJAWFUZFDET-VXGBXAGGSA-N 1 1 379.363 3.874 20 5 GHBDMO CCC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000538223437 879047708 /nfs/dbraw/zinc/04/77/08/879047708.db2.gz NCFIRGFTBFEFDE-MRXNPFEDSA-N 1 1 393.390 3.951 20 5 GHBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761516107 879217831 /nfs/dbraw/zinc/21/78/31/879217831.db2.gz YYLOJNVXQPVIGI-JSGCOSHPSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761534035 879244423 /nfs/dbraw/zinc/24/44/23/879244423.db2.gz YZAJBFFNZLVLCY-GXTWGEPZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000493311982 879375009 /nfs/dbraw/zinc/37/50/09/879375009.db2.gz VUIMERFIZFWWEA-IYBDPMFKSA-N 1 1 395.931 3.960 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000069035492 879441614 /nfs/dbraw/zinc/44/16/14/879441614.db2.gz GOLUTGRTOYFWFI-INIZCTEOSA-N 1 1 377.828 3.798 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069089737 879526328 /nfs/dbraw/zinc/52/63/28/879526328.db2.gz KOCADORMUKROIB-AWEZNQCLSA-N 1 1 379.420 3.658 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000069089737 879526339 /nfs/dbraw/zinc/52/63/39/879526339.db2.gz KOCADORMUKROIB-AWEZNQCLSA-N 1 1 379.420 3.658 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc3c(c2)COC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000493765398 879623912 /nfs/dbraw/zinc/62/39/12/879623912.db2.gz MHCWPUYGGZLPPG-UHFFFAOYSA-N 1 1 394.374 3.567 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)cs2)c1 ZINC000093865716 912479356 /nfs/dbraw/zinc/47/93/56/912479356.db2.gz FZCMKFVTHUTQMJ-GOSISDBHSA-N 1 1 382.445 3.767 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)cs2)c1 ZINC000093865716 912479366 /nfs/dbraw/zinc/47/93/66/912479366.db2.gz FZCMKFVTHUTQMJ-GOSISDBHSA-N 1 1 382.445 3.767 20 5 GHBDMO CCOc1cc(N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000531385223 879753475 /nfs/dbraw/zinc/75/34/75/879753475.db2.gz FNRCGBAFFZUKNV-IIBYNOLFSA-N 1 1 385.464 3.695 20 5 GHBDMO CCOc1cc(N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000531385223 879753481 /nfs/dbraw/zinc/75/34/81/879753481.db2.gz FNRCGBAFFZUKNV-IIBYNOLFSA-N 1 1 385.464 3.695 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790537233 879804165 /nfs/dbraw/zinc/80/41/65/879804165.db2.gz AUNAJVQABYGAQP-CYBMUJFWSA-N 1 1 385.867 3.701 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494099698 879889089 /nfs/dbraw/zinc/88/90/89/879889089.db2.gz JFJNCBIRFXUTHL-HKUYNNGSSA-N 1 1 389.402 3.827 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494099698 879889103 /nfs/dbraw/zinc/88/91/03/879889103.db2.gz JFJNCBIRFXUTHL-HKUYNNGSSA-N 1 1 389.402 3.827 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000790928837 880070485 /nfs/dbraw/zinc/07/04/85/880070485.db2.gz ZABDFGNGOOPDOY-DOTOQJQBSA-N 1 1 385.439 3.683 20 5 GHBDMO CC(C)(C[C@@H]1CCC[N@H+]([C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000453291747 880738237 /nfs/dbraw/zinc/73/82/37/880738237.db2.gz VONPKMBZDHSHEH-LNLFQRSKSA-N 1 1 387.524 3.920 20 5 GHBDMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000792189183 880978196 /nfs/dbraw/zinc/97/81/96/880978196.db2.gz RBRYJUWHWJJAOJ-QFIPXVFZSA-N 1 1 394.475 3.855 20 5 GHBDMO Cc1c(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000064481583 881141311 /nfs/dbraw/zinc/14/13/11/881141311.db2.gz LTQJMHMCZLNVHY-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1c(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000064481583 881141316 /nfs/dbraw/zinc/14/13/16/881141316.db2.gz LTQJMHMCZLNVHY-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000494258789 881325363 /nfs/dbraw/zinc/32/53/63/881325363.db2.gz DLBKRTPXOXDTMV-KRWDZBQOSA-N 1 1 397.475 3.636 20 5 GHBDMO CC(C)NC(=O)c1ccc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000609512844 883311543 /nfs/dbraw/zinc/31/15/43/883311543.db2.gz VGFOKRBVRBHOBP-INIZCTEOSA-N 1 1 384.480 3.665 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCc3ccc(F)cc3)C3CC3)n2)c1 ZINC000609744357 883601122 /nfs/dbraw/zinc/60/11/22/883601122.db2.gz FPUKTYPHZNYMKP-UHFFFAOYSA-N 1 1 382.395 3.991 20 5 GHBDMO CSc1cccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC001130124765 883678180 /nfs/dbraw/zinc/67/81/80/883678180.db2.gz MBWMROCPHXPNKO-AEFFLSMTSA-N 1 1 397.500 3.663 20 5 GHBDMO COCC[N@@H+](C)CC[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000609892932 883801918 /nfs/dbraw/zinc/80/19/18/883801918.db2.gz MLXWVWFEZGTJJK-KRWDZBQOSA-N 1 1 378.860 3.765 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000547277443 883845674 /nfs/dbraw/zinc/84/56/74/883845674.db2.gz JMOSDJGVVYIHSF-WBVHZDCISA-N 1 1 399.466 3.791 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000760232029 884028562 /nfs/dbraw/zinc/02/85/62/884028562.db2.gz KRJLZTJZDCNYJU-SJORKVTESA-N 1 1 390.896 3.980 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000760232029 884028582 /nfs/dbraw/zinc/02/85/82/884028582.db2.gz KRJLZTJZDCNYJU-SJORKVTESA-N 1 1 390.896 3.980 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+](C)Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000026225488 884202560 /nfs/dbraw/zinc/20/25/60/884202560.db2.gz SQPUHIKTNRASGT-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000026225488 884202579 /nfs/dbraw/zinc/20/25/79/884202579.db2.gz SQPUHIKTNRASGT-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000487831333 884382243 /nfs/dbraw/zinc/38/22/43/884382243.db2.gz DZNILGNYDKBDPI-MRXNPFEDSA-N 1 1 376.501 3.641 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000860299776 884542208 /nfs/dbraw/zinc/54/22/08/884542208.db2.gz JWAXNFDQGMJUNJ-IERDGZPVSA-N 1 1 379.460 3.837 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000914776494 884763754 /nfs/dbraw/zinc/76/37/54/884763754.db2.gz RXNJQIDWAOZMQD-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000914776494 884763759 /nfs/dbraw/zinc/76/37/59/884763759.db2.gz RXNJQIDWAOZMQD-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO CCc1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4C)nc3)no2)cc1[N+](=O)[O-] ZINC000761916786 884975436 /nfs/dbraw/zinc/97/54/36/884975436.db2.gz AELPOYQSYDOPJY-UHFFFAOYSA-N 1 1 376.376 3.763 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428554692 884975627 /nfs/dbraw/zinc/97/56/27/884975627.db2.gz SUMUBOQVITUZQE-FMTUWFKASA-N 1 1 395.503 3.879 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428554692 884975638 /nfs/dbraw/zinc/97/56/38/884975638.db2.gz SUMUBOQVITUZQE-FMTUWFKASA-N 1 1 395.503 3.879 20 5 GHBDMO CC[N@@H+](CCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC001130786562 885096474 /nfs/dbraw/zinc/09/64/74/885096474.db2.gz OVZPTHQMHWWQTK-UHFFFAOYSA-N 1 1 386.496 3.710 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000542550276 885274216 /nfs/dbraw/zinc/27/42/16/885274216.db2.gz ILBIDMGDLNAECQ-VWKPWSFCSA-N 1 1 399.466 3.864 20 5 GHBDMO CCCOc1ccc2c(c1)CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001168302910 885360120 /nfs/dbraw/zinc/36/01/20/885360120.db2.gz YAULHHNLSUBAGU-UHFFFAOYSA-N 1 1 386.448 3.829 20 5 GHBDMO CCCOc1ccc2c(c1)CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001168302910 885360138 /nfs/dbraw/zinc/36/01/38/885360138.db2.gz YAULHHNLSUBAGU-UHFFFAOYSA-N 1 1 386.448 3.829 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@@]4(C3)OCc3ccccc34)c2)c1 ZINC000774702003 912927385 /nfs/dbraw/zinc/92/73/85/912927385.db2.gz RDOBVMYYPBOBTF-QFIPXVFZSA-N 1 1 390.443 3.937 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCC[C@@]4(C3)OCc3ccccc34)c2)c1 ZINC000774702003 912927403 /nfs/dbraw/zinc/92/74/03/912927403.db2.gz RDOBVMYYPBOBTF-QFIPXVFZSA-N 1 1 390.443 3.937 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000153451277 885626692 /nfs/dbraw/zinc/62/66/92/885626692.db2.gz KUWQLLYOFYGQBV-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000153451277 885626701 /nfs/dbraw/zinc/62/67/01/885626701.db2.gz KUWQLLYOFYGQBV-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000532492846 885856895 /nfs/dbraw/zinc/85/68/95/885856895.db2.gz OENGXSWFSIPACP-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000532492846 885856911 /nfs/dbraw/zinc/85/69/11/885856911.db2.gz OENGXSWFSIPACP-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000532575739 886158689 /nfs/dbraw/zinc/15/86/89/886158689.db2.gz JRSSFCBGBLFPKU-AWEZNQCLSA-N 1 1 375.856 3.774 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCCC2 ZINC000532580715 886173786 /nfs/dbraw/zinc/17/37/86/886173786.db2.gz SMMYKTBLVRNKRM-ZWKOTPCHSA-N 1 1 389.496 3.901 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCCC2 ZINC000532580715 886173791 /nfs/dbraw/zinc/17/37/91/886173791.db2.gz SMMYKTBLVRNKRM-ZWKOTPCHSA-N 1 1 389.496 3.901 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000067795645 886614746 /nfs/dbraw/zinc/61/47/46/886614746.db2.gz ADSFCGGIQKXYCE-INIZCTEOSA-N 1 1 397.475 3.765 20 5 GHBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000119473587 886725017 /nfs/dbraw/zinc/72/50/17/886725017.db2.gz ZNPYRONITCMGJL-AWEZNQCLSA-N 1 1 391.493 3.559 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)ccc1Cl ZINC000808795467 886792257 /nfs/dbraw/zinc/79/22/57/886792257.db2.gz VYEKSGVTELNXCO-IBGZPJMESA-N 1 1 378.831 3.814 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)ccc1Cl ZINC000808795467 886792262 /nfs/dbraw/zinc/79/22/62/886792262.db2.gz VYEKSGVTELNXCO-IBGZPJMESA-N 1 1 378.831 3.814 20 5 GHBDMO COc1cc(C[NH2+]Cc2sc(C)nc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272369744 887297319 /nfs/dbraw/zinc/29/73/19/887297319.db2.gz GMXNYMBGZVVBSB-UHFFFAOYSA-N 1 1 387.408 3.610 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272498909 887586449 /nfs/dbraw/zinc/58/64/49/887586449.db2.gz GKPQDWQGVWFFRI-UWJYYQICSA-N 1 1 391.475 3.534 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000794598120 887662997 /nfs/dbraw/zinc/66/29/97/887662997.db2.gz NODALUOGLCDWAV-UHFFFAOYSA-N 1 1 375.469 3.613 20 5 GHBDMO COC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000326397482 887733112 /nfs/dbraw/zinc/73/31/12/887733112.db2.gz POWVXZUFAXPZLJ-UHFFFAOYSA-N 1 1 393.237 3.742 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000809950527 888017870 /nfs/dbraw/zinc/01/78/70/888017870.db2.gz KEISNSBZAIXERP-HNNXBMFYSA-N 1 1 388.295 3.588 20 5 GHBDMO CC1(c2ccc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)OCCO1 ZINC000865670363 888509078 /nfs/dbraw/zinc/50/90/78/888509078.db2.gz WRPYYHGYAAECNI-UHFFFAOYSA-N 1 1 394.374 3.706 20 5 GHBDMO CC1CCN(c2ccc(C(=O)O[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000810841688 888931792 /nfs/dbraw/zinc/93/17/92/888931792.db2.gz NBOXXCOIZZDWNP-ROUUACIJSA-N 1 1 387.480 3.615 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000916402123 888966868 /nfs/dbraw/zinc/96/68/68/888966868.db2.gz POZROWCUSUGQGD-IYBDPMFKSA-N 1 1 384.432 3.732 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000916402123 888966880 /nfs/dbraw/zinc/96/68/80/888966880.db2.gz POZROWCUSUGQGD-IYBDPMFKSA-N 1 1 384.432 3.732 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)c2ncccc12 ZINC000301172163 889289588 /nfs/dbraw/zinc/28/95/88/889289588.db2.gz XPNNCBSUTTWGBC-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO COc1ccccc1CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000532943400 889351262 /nfs/dbraw/zinc/35/12/62/889351262.db2.gz QOCRMXDSDSEBCG-UHFFFAOYSA-N 1 1 397.475 3.805 20 5 GHBDMO COC[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000532966901 889399179 /nfs/dbraw/zinc/39/91/79/889399179.db2.gz AGJROMYELYHNHM-UZLBHIALSA-N 1 1 383.448 3.551 20 5 GHBDMO COC[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000532966901 889399188 /nfs/dbraw/zinc/39/91/88/889399188.db2.gz AGJROMYELYHNHM-UZLBHIALSA-N 1 1 383.448 3.551 20 5 GHBDMO Cc1cc(NCCC[NH+]2CCN(Cc3ccccc3)CC2)c(F)cc1[N+](=O)[O-] ZINC001184680660 913384522 /nfs/dbraw/zinc/38/45/22/913384522.db2.gz BBKVNHNIXUCRSY-UHFFFAOYSA-N 1 1 386.471 3.662 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000533243814 890059467 /nfs/dbraw/zinc/05/94/67/890059467.db2.gz CPENSRQQNZHYRU-MRXNPFEDSA-N 1 1 397.475 3.972 20 5 GHBDMO O=[N+]([O-])c1ccc(NC(=S)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000795139072 890458004 /nfs/dbraw/zinc/45/80/04/890458004.db2.gz LKOSIEFDMMJBMQ-NRFANRHFSA-N 1 1 396.516 3.890 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccccc2)CC1 ZINC000105689984 890527432 /nfs/dbraw/zinc/52/74/32/890527432.db2.gz UKDHEVNODGRXIB-OAHLLOKOSA-N 1 1 383.448 3.810 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848558 891039937 /nfs/dbraw/zinc/03/99/37/891039937.db2.gz KWSQXPJXPKCNSQ-IFXJQAMLSA-N 1 1 382.420 3.589 20 5 GHBDMO COc1ccccc1[C@H](C)CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170991 891327915 /nfs/dbraw/zinc/32/79/15/891327915.db2.gz PTXBZSXWFNBLDU-APWZRJJASA-N 1 1 398.459 3.915 20 5 GHBDMO COc1ccccc1[C@H](C)CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170991 891327927 /nfs/dbraw/zinc/32/79/27/891327927.db2.gz PTXBZSXWFNBLDU-APWZRJJASA-N 1 1 398.459 3.915 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCSc2ccccc21 ZINC000813173919 891333865 /nfs/dbraw/zinc/33/38/65/891333865.db2.gz MGQYKLJKWIBXDW-PKOBYXMFSA-N 1 1 398.484 3.992 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCSc2ccccc21 ZINC000813173919 891333883 /nfs/dbraw/zinc/33/38/83/891333883.db2.gz MGQYKLJKWIBXDW-PKOBYXMFSA-N 1 1 398.484 3.992 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000747839761 891340206 /nfs/dbraw/zinc/34/02/06/891340206.db2.gz DNGTXZUCCUXKRP-YOEHRIQHSA-N 1 1 393.484 3.729 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000747839761 891340221 /nfs/dbraw/zinc/34/02/21/891340221.db2.gz DNGTXZUCCUXKRP-YOEHRIQHSA-N 1 1 393.484 3.729 20 5 GHBDMO Cc1c([C@H](C)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000191839754 891564535 /nfs/dbraw/zinc/56/45/35/891564535.db2.gz KZNCRYHZHSLIFY-ICSRJNTNSA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1c([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000191839754 891564547 /nfs/dbraw/zinc/56/45/47/891564547.db2.gz KZNCRYHZHSLIFY-ICSRJNTNSA-N 1 1 383.492 3.845 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000497472824 891647001 /nfs/dbraw/zinc/64/70/01/891647001.db2.gz KPRPYVLRBBSIJM-UHFFFAOYSA-N 1 1 385.464 3.805 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000067679379 891655219 /nfs/dbraw/zinc/65/52/19/891655219.db2.gz GUJPGUCJQJYWBF-HNNXBMFYSA-N 1 1 387.505 3.844 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000814175771 892331083 /nfs/dbraw/zinc/33/10/83/892331083.db2.gz JSJUXAQOVBCLGL-FUHWJXTLSA-N 1 1 375.469 3.735 20 5 GHBDMO C[N@@H+](Cc1cccc(Br)c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000918182444 893317433 /nfs/dbraw/zinc/31/74/33/893317433.db2.gz RIRGMYSLSHWMQH-UHFFFAOYSA-N 1 1 375.226 3.797 20 5 GHBDMO C[N@H+](Cc1cccc(Br)c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000918182444 893317453 /nfs/dbraw/zinc/31/74/53/893317453.db2.gz RIRGMYSLSHWMQH-UHFFFAOYSA-N 1 1 375.226 3.797 20 5 GHBDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H](C)CO ZINC000563295300 893580061 /nfs/dbraw/zinc/58/00/61/893580061.db2.gz JJAVFANZYAVTGQ-NSHDSACASA-N 1 1 383.242 3.820 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC(COc3ccccc3)CC2)o1 ZINC000877991167 893933471 /nfs/dbraw/zinc/93/34/71/893933471.db2.gz FSCRALWXLUZHDC-UHFFFAOYSA-N 1 1 394.431 3.936 20 5 GHBDMO CC[N@H+]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000536936302 894120605 /nfs/dbraw/zinc/12/06/05/894120605.db2.gz NOJFOVNUKNYGSA-UHFFFAOYSA-N 1 1 384.436 3.947 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2ccn(C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459764671 894187669 /nfs/dbraw/zinc/18/76/69/894187669.db2.gz VCWTZSJSOBCODU-OAHLLOKOSA-N 1 1 396.447 3.767 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)o1 ZINC000878756701 894583200 /nfs/dbraw/zinc/58/32/00/894583200.db2.gz YKJAPCVXLCFRTJ-WFASDCNBSA-N 1 1 392.843 3.689 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000537286117 894705098 /nfs/dbraw/zinc/70/50/98/894705098.db2.gz FOEXKVYVQVLVTF-QGZVFWFLSA-N 1 1 397.475 3.730 20 5 GHBDMO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000564713567 895205570 /nfs/dbraw/zinc/20/55/70/895205570.db2.gz RHKIKYDIBPRVLW-HZPDHXFCSA-N 1 1 387.505 3.788 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000880102483 895515601 /nfs/dbraw/zinc/51/56/01/895515601.db2.gz DKYGHCKQTFQTNC-JTQLQIEISA-N 1 1 383.326 3.646 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000565386700 895583260 /nfs/dbraw/zinc/58/32/60/895583260.db2.gz QKQOJGHWDYAQDY-GJZGRUSLSA-N 1 1 381.839 3.769 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000565386700 895583267 /nfs/dbraw/zinc/58/32/67/895583267.db2.gz QKQOJGHWDYAQDY-GJZGRUSLSA-N 1 1 381.839 3.769 20 5 GHBDMO C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000565795090 895885674 /nfs/dbraw/zinc/88/56/74/895885674.db2.gz JAOOQVDFQBXNCO-OXQOHEQNSA-N 1 1 381.476 3.652 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000819323614 896568218 /nfs/dbraw/zinc/56/82/18/896568218.db2.gz NMSCPUDHDKTVLB-UGKGYDQZSA-N 1 1 383.492 3.520 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819323614 896568227 /nfs/dbraw/zinc/56/82/27/896568227.db2.gz NMSCPUDHDKTVLB-UGKGYDQZSA-N 1 1 383.492 3.520 20 5 GHBDMO Cc1c(Br)cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001136225434 896773670 /nfs/dbraw/zinc/77/36/70/896773670.db2.gz BUKYWYRPBGIMHE-RYUDHWBXSA-N 1 1 398.301 3.516 20 5 GHBDMO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)C1 ZINC001136252264 896904025 /nfs/dbraw/zinc/90/40/25/896904025.db2.gz GEOMFJIJBCMTPX-HZPDHXFCSA-N 1 1 397.475 3.708 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001136465210 897974195 /nfs/dbraw/zinc/97/41/95/897974195.db2.gz HQPMMZBCJIPQNJ-CQSZACIVSA-N 1 1 385.867 3.701 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106877005 898296974 /nfs/dbraw/zinc/29/69/74/898296974.db2.gz WQILSVRUSWDHJW-LBPRGKRZSA-N 1 1 392.481 3.698 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000133586590 898694028 /nfs/dbraw/zinc/69/40/28/898694028.db2.gz BZQUOIMKQOXBDO-HOTGVXAUSA-N 1 1 377.460 3.769 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000331805024 899177933 /nfs/dbraw/zinc/17/79/33/899177933.db2.gz MWICSNNDAWGVIN-GJZGRUSLSA-N 1 1 378.448 3.852 20 5 GHBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000570213942 899199896 /nfs/dbraw/zinc/19/98/96/899199896.db2.gz VDYYRCPMWZDVTO-NSHDSACASA-N 1 1 386.290 3.516 20 5 GHBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000824451293 899607769 /nfs/dbraw/zinc/60/77/69/899607769.db2.gz RMCSCDSHXNXLIM-CQSZACIVSA-N 1 1 387.461 3.597 20 5 GHBDMO COc1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000824522391 899656799 /nfs/dbraw/zinc/65/67/99/899656799.db2.gz VOJFSXLKZGYXQX-SFHVURJKSA-N 1 1 394.431 3.614 20 5 GHBDMO CC(C)c1ccc(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000824827955 899851158 /nfs/dbraw/zinc/85/11/58/899851158.db2.gz JYHQZTOBPTVJHX-LSDHHAIUSA-N 1 1 399.413 3.561 20 5 GHBDMO Cc1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000571928266 900011391 /nfs/dbraw/zinc/01/13/91/900011391.db2.gz AFFMVGRHQYJFOO-MOPGFXCFSA-N 1 1 394.475 3.889 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@](O)(c4ccc(Cl)cc4)C3)nc2c1 ZINC000844372760 900740876 /nfs/dbraw/zinc/74/08/76/900740876.db2.gz DVEYNEJBUZGFPD-LJQANCHMSA-N 1 1 387.823 3.873 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@](O)(c4ccc(Cl)cc4)C3)nc2c1 ZINC000844372760 900740884 /nfs/dbraw/zinc/74/08/84/900740884.db2.gz DVEYNEJBUZGFPD-LJQANCHMSA-N 1 1 387.823 3.873 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)o1 ZINC000886618472 901196038 /nfs/dbraw/zinc/19/60/38/901196038.db2.gz BPFPTBPHCHIOEF-ZBEGNZNMSA-N 1 1 382.342 3.809 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)o1 ZINC000886618472 901196040 /nfs/dbraw/zinc/19/60/40/901196040.db2.gz BPFPTBPHCHIOEF-ZBEGNZNMSA-N 1 1 382.342 3.809 20 5 GHBDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000575622044 901251814 /nfs/dbraw/zinc/25/18/14/901251814.db2.gz CJZNWKQMILZRJE-UHFFFAOYSA-N 1 1 395.459 3.788 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093840365 901568085 /nfs/dbraw/zinc/56/80/85/901568085.db2.gz KNTMQPLGXKNPLT-GOSISDBHSA-N 1 1 386.448 3.651 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000846110402 902687748 /nfs/dbraw/zinc/68/77/48/902687748.db2.gz MKLGZZUNWLXCCK-HIFRSBDPSA-N 1 1 383.279 3.981 20 5 GHBDMO COCc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC000132028918 903197007 /nfs/dbraw/zinc/19/70/07/903197007.db2.gz RSBXPFSKMXLUPZ-QGZVFWFLSA-N 1 1 391.399 3.639 20 5 GHBDMO O=C(C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)NCc1ccccc1 ZINC000779031949 903231429 /nfs/dbraw/zinc/23/14/29/903231429.db2.gz CKTGYDZZQRGTFB-QFIPXVFZSA-N 1 1 375.428 3.590 20 5 GHBDMO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000847009373 903391396 /nfs/dbraw/zinc/39/13/96/903391396.db2.gz QIJDXHGNJVKHON-UHFFFAOYSA-N 1 1 379.432 3.567 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001148519171 904090005 /nfs/dbraw/zinc/09/00/05/904090005.db2.gz ABLIQWWKXVWUBM-OAQYLSRUSA-N 1 1 393.487 3.749 20 5 GHBDMO Cn1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290905311 914864531 /nfs/dbraw/zinc/86/45/31/914864531.db2.gz MLLNAOUOZTVWJB-AZUAARDMSA-N 1 1 382.464 3.529 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000801572011 921142551 /nfs/dbraw/zinc/14/25/51/921142551.db2.gz AHEHFVYXBHHJIZ-HXUWFJFHSA-N 1 1 393.484 3.600 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000801578508 921149599 /nfs/dbraw/zinc/14/95/99/921149599.db2.gz YCTYZEUGQVYDIR-SFHVURJKSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000801578508 921149605 /nfs/dbraw/zinc/14/96/05/921149605.db2.gz YCTYZEUGQVYDIR-SFHVURJKSA-N 1 1 383.876 3.985 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2c1cnn2CC ZINC001172905853 905929943 /nfs/dbraw/zinc/92/99/43/905929943.db2.gz VIORKGQGLKMQAO-MOPGFXCFSA-N 1 1 398.507 3.695 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2c1cnn2CC ZINC001172905853 905929956 /nfs/dbraw/zinc/92/99/56/905929956.db2.gz VIORKGQGLKMQAO-MOPGFXCFSA-N 1 1 398.507 3.695 20 5 GHBDMO O=C1C[C@@H]2[C@H](CC[N@@H+]2[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)N1c1ccsc1 ZINC001172908575 905936507 /nfs/dbraw/zinc/93/65/07/905936507.db2.gz DRFFJTWJYZEUIY-LSTHTHJFSA-N 1 1 397.500 3.784 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172915492 905986990 /nfs/dbraw/zinc/98/69/90/905986990.db2.gz NHBGHPYZFROFND-CRAIPNDOSA-N 1 1 389.496 3.689 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCCC(F)(F)CC3)CC2)c(F)c1 ZINC001173009446 906084667 /nfs/dbraw/zinc/08/46/67/906084667.db2.gz CMGAHAGUMGDKSD-UHFFFAOYSA-N 1 1 375.366 3.963 20 5 GHBDMO C[C@@]1(F)CC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H]1F ZINC001173010061 906087400 /nfs/dbraw/zinc/08/74/00/906087400.db2.gz LOGCYACDPDAKEY-NVXWUHKLSA-N 1 1 375.366 3.614 20 5 GHBDMO CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C2 ZINC001173185450 906266466 /nfs/dbraw/zinc/26/64/66/906266466.db2.gz MKAZUTMSBDGALC-MDOVXXIYSA-N 1 1 380.460 3.812 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(Oc3ccccn3)CC2)c1F ZINC001173191051 906272973 /nfs/dbraw/zinc/27/29/73/906272973.db2.gz ZXPWZOHPGBIMPN-AWEZNQCLSA-N 1 1 389.427 3.612 20 5 GHBDMO COc1cccc(CC2([NH3+])CCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001173220549 906297519 /nfs/dbraw/zinc/29/75/19/906297519.db2.gz CWZRMXOTHJXOQG-KRWDZBQOSA-N 1 1 383.492 3.570 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cnn(CC3CC3)c21 ZINC001173223220 906303365 /nfs/dbraw/zinc/30/33/65/906303365.db2.gz AHDCJDCUHRPOAL-OXQOHEQNSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cn(CC3CC3)nc21 ZINC001173224751 906307291 /nfs/dbraw/zinc/30/72/91/906307291.db2.gz LARZNOPYYXXTCU-OXJNMPFZSA-N 1 1 398.507 3.768 20 5 GHBDMO COC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(F)cc1 ZINC001173230214 906315128 /nfs/dbraw/zinc/31/51/28/906315128.db2.gz CTJCMSUYJQLDQZ-XMCHAPAWSA-N 1 1 386.423 3.554 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001173238539 906350175 /nfs/dbraw/zinc/35/01/75/906350175.db2.gz VAQAJDKZCOJFAT-DOTOQJQBSA-N 1 1 385.439 3.559 20 5 GHBDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccncc1 ZINC000190973393 906492195 /nfs/dbraw/zinc/49/21/95/906492195.db2.gz YMAIAUUNIBWXHU-OAQYLSRUSA-N 1 1 395.415 3.818 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)n2)c1 ZINC000181219316 906947027 /nfs/dbraw/zinc/94/70/27/906947027.db2.gz SBOUXMABCZKVLY-KXBFYZLASA-N 1 1 394.431 3.902 20 5 GHBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000299394104 921307761 /nfs/dbraw/zinc/30/77/61/921307761.db2.gz AKIWPTQOVGZVKH-HNNXBMFYSA-N 1 1 385.468 3.503 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000183113222 907329759 /nfs/dbraw/zinc/32/97/59/907329759.db2.gz NTUQMNMNXLVQEB-QYBDOPJKSA-N 1 1 376.478 3.591 20 5 GHBDMO CC1([C@@H]2CCC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)OCCO1 ZINC000183245087 907356785 /nfs/dbraw/zinc/35/67/85/907356785.db2.gz GMHLGJHTEVOBDN-OAHLLOKOSA-N 1 1 389.477 3.693 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000299443814 921332381 /nfs/dbraw/zinc/33/23/81/921332381.db2.gz WBLIXUHYIXVOCG-MRXNPFEDSA-N 1 1 390.465 3.534 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000299443814 921332400 /nfs/dbraw/zinc/33/24/00/921332400.db2.gz WBLIXUHYIXVOCG-MRXNPFEDSA-N 1 1 390.465 3.534 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](C(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC001175883458 907791183 /nfs/dbraw/zinc/79/11/83/907791183.db2.gz VEWHSBOGUZASSD-YLJYHZDGSA-N 1 1 397.475 3.676 20 5 GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000779604098 907860045 /nfs/dbraw/zinc/86/00/45/907860045.db2.gz GDRKADROCIERGB-LBPRGKRZSA-N 1 1 399.285 3.769 20 5 GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000779604098 907860063 /nfs/dbraw/zinc/86/00/63/907860063.db2.gz GDRKADROCIERGB-LBPRGKRZSA-N 1 1 399.285 3.769 20 5 GHBDMO CCc1[nH+]ccn1CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001177509743 908610058 /nfs/dbraw/zinc/61/00/58/908610058.db2.gz GGJVLXFDCSSBRB-UHFFFAOYSA-N 1 1 379.420 3.527 20 5 GHBDMO COC(=O)N1CC([NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC001178529106 909089982 /nfs/dbraw/zinc/08/99/82/909089982.db2.gz UESYXKFDDXQUSG-UHFFFAOYSA-N 1 1 387.461 3.595 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H]1Cc2ccccc2O1 ZINC001178942513 909326400 /nfs/dbraw/zinc/32/64/00/909326400.db2.gz XFZQWRXJHPEQQG-QFIPXVFZSA-N 1 1 399.450 3.899 20 5 GHBDMO COCc1ccccc1/C=C(/C)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001180497795 910211276 /nfs/dbraw/zinc/21/12/76/910211276.db2.gz SWOUBZWHWFRAQO-SDXDJHTJSA-N 1 1 381.476 3.967 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@H]1CC[N@H+](C(C)C)C1 ZINC001181984084 911110105 /nfs/dbraw/zinc/11/01/05/911110105.db2.gz NRGQGGYCRBLUDH-HNNXBMFYSA-N 1 1 392.503 3.625 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]1COC(=O)[C@H]1C ZINC001182080579 911176615 /nfs/dbraw/zinc/17/66/15/911176615.db2.gz AMUOOAPIXOLUGL-SUMWQHHRSA-N 1 1 377.444 3.510 20 5 GHBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000274369667 911315722 /nfs/dbraw/zinc/31/57/22/911315722.db2.gz KPGBDILYTFIQGB-LBPRGKRZSA-N 1 1 382.869 3.893 20 5 GHBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248118470 911715623 /nfs/dbraw/zinc/71/56/23/911715623.db2.gz NBHKLKCMWMYYFV-FXAWDEMLSA-N 1 1 397.450 3.861 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c([N+](=O)[O-])c1 ZINC000284221825 911796331 /nfs/dbraw/zinc/79/63/31/911796331.db2.gz UMINFXICUFXDSQ-LJQANCHMSA-N 1 1 385.376 3.515 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000718014031 911800113 /nfs/dbraw/zinc/80/01/13/911800113.db2.gz AYZJXVSDAOVSCH-IBGZPJMESA-N 1 1 387.867 3.889 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3[C@@H]4CC[C@H]3CC[N@H+](C)C4)c([N+](=O)[O-])c2)cc1 ZINC001187600483 915358346 /nfs/dbraw/zinc/35/83/46/915358346.db2.gz TUWUEZVWTTWBSG-RBUKOAKNSA-N 1 1 394.475 3.828 20 5 GHBDMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2c(c1)CC(=O)N2C ZINC000775349528 917114090 /nfs/dbraw/zinc/11/40/90/917114090.db2.gz DXOVXHQWVNMUCF-CYBMUJFWSA-N 1 1 392.415 3.620 20 5 GHBDMO O=C1[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001190855111 917604486 /nfs/dbraw/zinc/60/44/86/917604486.db2.gz NUMUDQCKXAMXTR-WIYYLYMNSA-N 1 1 379.460 3.655 20 5 GHBDMO O=C1[C@@H]([NH+]2CCC(c3ccccc3F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001191100065 917755305 /nfs/dbraw/zinc/75/53/05/917755305.db2.gz RRXIOKAOMROLKA-FQEVSTJZSA-N 1 1 383.423 3.719 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1)CC(F)(F)F ZINC001191463602 918029033 /nfs/dbraw/zinc/02/90/33/918029033.db2.gz FEZPBRYWFVJILZ-OAHLLOKOSA-N 1 1 389.418 3.570 20 5 GHBDMO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000118981337 919599843 /nfs/dbraw/zinc/59/98/43/919599843.db2.gz YEZOCTKMESJEMR-UHFFFAOYSA-N 1 1 390.440 3.596 20 5 GHBDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000118981337 919599852 /nfs/dbraw/zinc/59/98/52/919599852.db2.gz YEZOCTKMESJEMR-UHFFFAOYSA-N 1 1 390.440 3.596 20 5 GHBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)nc1 ZINC000119400795 919626219 /nfs/dbraw/zinc/62/62/19/919626219.db2.gz NEVYVNNVMDOMEW-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000119835562 919660467 /nfs/dbraw/zinc/66/04/67/919660467.db2.gz VJMJADRJQFMKHU-LJQANCHMSA-N 1 1 396.491 3.898 20 5 GHBDMO CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000800466841 920137492 /nfs/dbraw/zinc/13/74/92/920137492.db2.gz IDQNHOQGUIZOOD-UZLBHIALSA-N 1 1 385.464 3.758 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000298414778 920511174 /nfs/dbraw/zinc/51/11/74/920511174.db2.gz XHEXBMCGACAWQS-DZGCQCFKSA-N 1 1 378.322 3.682 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000298414778 920511183 /nfs/dbraw/zinc/51/11/83/920511183.db2.gz XHEXBMCGACAWQS-DZGCQCFKSA-N 1 1 378.322 3.682 20 5 GHBDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000903161747 922821331 /nfs/dbraw/zinc/82/13/31/922821331.db2.gz XBWVQCPFJJSMDP-LLVKDONJSA-N 1 1 398.868 3.511 20 5 GHBDMO COc1ccc([C@H](C)[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000411122482 926092856 /nfs/dbraw/zinc/09/28/56/926092856.db2.gz ATUZRSWHXZVLIA-AWEZNQCLSA-N 1 1 387.436 3.634 20 5 GHBDMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411198597 926208441 /nfs/dbraw/zinc/20/84/41/926208441.db2.gz ZNAHBRWGKJBNNV-SFHVURJKSA-N 1 1 390.505 3.967 20 5 GHBDMO Cc1nn(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)no2)c(C)c1[N+](=O)[O-] ZINC000725786235 926436817 /nfs/dbraw/zinc/43/68/17/926436817.db2.gz HOSDCZCDSJTVDC-UHFFFAOYSA-N 1 1 387.415 3.724 20 5 GHBDMO Cc1nn(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)no2)c(C)c1[N+](=O)[O-] ZINC000725786235 926436821 /nfs/dbraw/zinc/43/68/21/926436821.db2.gz HOSDCZCDSJTVDC-UHFFFAOYSA-N 1 1 387.415 3.724 20 5 GHBDMO CC(=O)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000749249393 927015418 /nfs/dbraw/zinc/01/54/18/927015418.db2.gz YEMZLKXVOZTJMS-UHFFFAOYSA-N 1 1 388.855 3.946 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](CCc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000749491140 927137247 /nfs/dbraw/zinc/13/72/47/927137247.db2.gz LQNGYOLUSQQUTE-GOSISDBHSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000412177084 927175952 /nfs/dbraw/zinc/17/59/52/927175952.db2.gz LELMXZOGYCXGBG-GUMYABAYSA-N 1 1 393.487 3.868 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000749831348 927302637 /nfs/dbraw/zinc/30/26/37/927302637.db2.gz PPIOLDHJZYOTLB-BEFAXECRSA-N 1 1 384.505 3.792 20 5 GHBDMO Cc1nn(C[N@@H+](C)CCc2cccc3ccccc32)c2ncc([N+](=O)[O-])cc12 ZINC000749945642 927362878 /nfs/dbraw/zinc/36/28/78/927362878.db2.gz HIESQSPVMAUBBL-UHFFFAOYSA-N 1 1 375.432 3.933 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@@H+](Cn3nc(C)c4cc([N+](=O)[O-])cnc43)C2)cc1 ZINC000749954220 927368384 /nfs/dbraw/zinc/36/83/84/927368384.db2.gz MEBKRJQVMYOJQK-QGZVFWFLSA-N 1 1 395.463 3.569 20 5 GHBDMO Cc1ccc(CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)cc1 ZINC000750077212 927423067 /nfs/dbraw/zinc/42/30/67/927423067.db2.gz MGPGHMSNNKSVBN-VXKWHMMOSA-N 1 1 384.476 3.660 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750097448 927432804 /nfs/dbraw/zinc/43/28/04/927432804.db2.gz WBXWYFGUPAYYJW-VQTJNVASSA-N 1 1 380.448 3.742 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750097448 927432813 /nfs/dbraw/zinc/43/28/13/927432813.db2.gz WBXWYFGUPAYYJW-VQTJNVASSA-N 1 1 380.448 3.742 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000375014064 927813938 /nfs/dbraw/zinc/81/39/38/927813938.db2.gz SHMBYWKBZDZHHD-OAGGEKHMSA-N 1 1 386.452 3.844 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)cs1 ZINC000751503688 928225907 /nfs/dbraw/zinc/22/59/07/928225907.db2.gz ALMWAJYHXMHHDR-CYBMUJFWSA-N 1 1 380.775 3.849 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1Br ZINC000467017560 928594521 /nfs/dbraw/zinc/59/45/21/928594521.db2.gz VMJMWOZRQPCLKH-UHFFFAOYSA-N 1 1 384.255 3.733 20 5 GHBDMO Cc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000544071356 928766869 /nfs/dbraw/zinc/76/68/69/928766869.db2.gz CQAMBFAUZNPNGJ-HXUWFJFHSA-N 1 1 388.489 3.822 20 5 GHBDMO Cc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000544071356 928766874 /nfs/dbraw/zinc/76/68/74/928766874.db2.gz CQAMBFAUZNPNGJ-HXUWFJFHSA-N 1 1 388.489 3.822 20 5 GHBDMO COCC[C@@H]1CCCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000467268035 928895656 /nfs/dbraw/zinc/89/56/56/928895656.db2.gz IBDRYSMNGUKDFH-ZDUSSCGKSA-N 1 1 388.411 3.843 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000544468627 929215533 /nfs/dbraw/zinc/21/55/33/929215533.db2.gz GDSUPHDXMUBGRJ-GFCCVEGCSA-N 1 1 398.410 3.876 20 5 GHBDMO CC[C@@H]1CN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000544770494 929561615 /nfs/dbraw/zinc/56/16/15/929561615.db2.gz ZWIDBIASCCCVCT-GOSISDBHSA-N 1 1 398.463 3.732 20 5 GHBDMO CC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757113797 929652488 /nfs/dbraw/zinc/65/24/88/929652488.db2.gz ZJQHVXGPFUUVQP-QAPCUYQASA-N 1 1 393.484 3.599 20 5 GHBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[N@H+]1Cc1ccccc1 ZINC000757785517 929798389 /nfs/dbraw/zinc/79/83/89/929798389.db2.gz CQTLOUJYABDOCE-RDJZCZTQSA-N 1 1 396.447 3.626 20 5 GHBDMO COc1cc(C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000469768878 930148747 /nfs/dbraw/zinc/14/87/47/930148747.db2.gz MGCHPJDDFKHGBD-IRXDYDNUSA-N 1 1 383.492 3.850 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000470705880 930841186 /nfs/dbraw/zinc/84/11/86/930841186.db2.gz BNXCKQYPQWBBEN-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000470705880 930841196 /nfs/dbraw/zinc/84/11/96/930841196.db2.gz BNXCKQYPQWBBEN-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000470837073 930956458 /nfs/dbraw/zinc/95/64/58/930956458.db2.gz RXMJXQLYDSHOIO-NVXWUHKLSA-N 1 1 383.448 3.559 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@](C)(O)CC2)cc1OC ZINC000471076108 931135931 /nfs/dbraw/zinc/13/59/31/931135931.db2.gz SVZWOKSVCSKPGQ-MGPUTAFESA-N 1 1 380.485 3.765 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782505019 931245105 /nfs/dbraw/zinc/24/51/05/931245105.db2.gz VSDCSGHJIVWGPB-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1c(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cccc1[N+](=O)[O-] ZINC000557459682 931444047 /nfs/dbraw/zinc/44/40/47/931444047.db2.gz MPDJNNPCHNXYBO-SFHVURJKSA-N 1 1 379.416 3.757 20 5 GHBDMO C/C(=C/C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895752 931708175 /nfs/dbraw/zinc/70/81/75/931708175.db2.gz KOXQHCQOMPNGDJ-NOCRFKNCSA-N 1 1 379.460 3.561 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(F)c(C(F)(F)F)cc3F)CC2)n1 ZINC000558116585 931844900 /nfs/dbraw/zinc/84/49/00/931844900.db2.gz KIRGSMMRAGQTKN-UHFFFAOYSA-N 1 1 390.312 3.925 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000558467432 932019188 /nfs/dbraw/zinc/01/91/88/932019188.db2.gz WDHPRPGNVIDEDR-QFIPXVFZSA-N 1 1 395.459 3.702 20 5 GHBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000558607924 932105558 /nfs/dbraw/zinc/10/55/58/932105558.db2.gz FINOXOCVVTYCFG-LJQANCHMSA-N 1 1 396.491 3.696 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000558772188 932225226 /nfs/dbraw/zinc/22/52/26/932225226.db2.gz HPKXGZIXPLOBSG-SFHVURJKSA-N 1 1 397.475 3.730 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000927113536 932417716 /nfs/dbraw/zinc/41/77/16/932417716.db2.gz ZUWAUVIEZFLAJP-RTWAWAEBSA-N 1 1 392.459 3.711 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498209 932672841 /nfs/dbraw/zinc/67/28/41/932672841.db2.gz NFASECROXYDODU-JOCHJYFZSA-N 1 1 383.492 3.995 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000798944670 932829611 /nfs/dbraw/zinc/82/96/11/932829611.db2.gz NGRLZPUHCGRQMS-FQEVSTJZSA-N 1 1 375.469 3.600 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000560530866 933315167 /nfs/dbraw/zinc/31/51/67/933315167.db2.gz VHNLYJIDBMVOFC-LJQANCHMSA-N 1 1 384.411 3.616 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001116135048 933354915 /nfs/dbraw/zinc/35/49/15/933354915.db2.gz CCDPDNXGNAPXJQ-NRFANRHFSA-N 1 1 379.460 3.800 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(c3nc4ccccc4o3)CC1)OCCO2 ZINC001116439372 933558656 /nfs/dbraw/zinc/55/86/56/933558656.db2.gz WSAKGDXSTOXKIH-UHFFFAOYSA-N 1 1 395.415 3.887 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000929816119 933649023 /nfs/dbraw/zinc/64/90/23/933649023.db2.gz RWTNQYUZTOKFEW-MRXNPFEDSA-N 1 1 399.285 3.517 20 5 GHBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001117993481 934073744 /nfs/dbraw/zinc/07/37/44/934073744.db2.gz XKWBKJMPDYLQOC-ZDUSSCGKSA-N 1 1 393.285 3.546 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)o1 ZINC001118651178 934216628 /nfs/dbraw/zinc/21/66/28/934216628.db2.gz UZNDZTYDYIKYSL-ZDUSSCGKSA-N 1 1 387.827 3.622 20 5 GHBDMO C[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562395092 934849702 /nfs/dbraw/zinc/84/97/02/934849702.db2.gz LAAGOLXBXPWBCB-QGZVFWFLSA-N 1 1 393.487 3.748 20 5 GHBDMO C[N@@H+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001124467398 935393962 /nfs/dbraw/zinc/39/39/62/935393962.db2.gz OWCDFAYOIIACGZ-LJQANCHMSA-N 1 1 387.867 3.696 20 5 GHBDMO C[N@H+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001124467398 935393968 /nfs/dbraw/zinc/39/39/68/935393968.db2.gz OWCDFAYOIIACGZ-LJQANCHMSA-N 1 1 387.867 3.696 20 5 GHBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@]1(O)CCc2ccccc21 ZINC000829365191 935801903 /nfs/dbraw/zinc/80/19/03/935801903.db2.gz CNZWHJOTNYCLKN-NRFANRHFSA-N 1 1 379.416 3.516 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000829871964 935876088 /nfs/dbraw/zinc/87/60/88/935876088.db2.gz FUDLCCGWTLBKIM-QZTJIDSGSA-N 1 1 386.839 3.995 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000829871964 935876092 /nfs/dbraw/zinc/87/60/92/935876092.db2.gz FUDLCCGWTLBKIM-QZTJIDSGSA-N 1 1 386.839 3.995 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000545196361 1015643038 /nfs/dbraw/zinc/64/30/38/1015643038.db2.gz BDWUZFYQOFRFTE-IBGZPJMESA-N 1 1 390.443 3.589 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001227046200 1032250833 /nfs/dbraw/zinc/25/08/33/1032250833.db2.gz GFKXZHNTRBVUOY-FOIQADDNSA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001227123965 1032279932 /nfs/dbraw/zinc/27/99/32/1032279932.db2.gz IBAFNIDYOXJTLU-AWEZNQCLSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001227123965 1032279939 /nfs/dbraw/zinc/27/99/39/1032279939.db2.gz IBAFNIDYOXJTLU-AWEZNQCLSA-N 1 1 390.823 3.688 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000565140209 1019166838 /nfs/dbraw/zinc/16/68/38/1019166838.db2.gz FDMIYKUZVBQFSU-FQEVSTJZSA-N 1 1 381.476 3.556 20 5 GHBDMO COc1cc(COC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000778804785 1019732035 /nfs/dbraw/zinc/73/20/35/1019732035.db2.gz QMQQAGIAEAOHCU-GOSISDBHSA-N 1 1 384.432 3.559 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)c1cnn2c1OCC2 ZINC001156185970 1032915931 /nfs/dbraw/zinc/91/59/31/1032915931.db2.gz LHUFDHJXHGBKDP-UHFFFAOYSA-N 1 1 387.443 3.604 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)cnc2c1 ZINC001156315159 1032976665 /nfs/dbraw/zinc/97/66/65/1032976665.db2.gz KJDMAQAZRYANTN-BHIYHBOVSA-N 1 1 389.459 3.861 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001156317342 1032980781 /nfs/dbraw/zinc/98/07/81/1032980781.db2.gz LRIYNXMINOCYOF-LSTHTHJFSA-N 1 1 389.459 3.861 20 5 GHBDMO O=[N+]([O-])c1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2[nH]ccc21 ZINC001156317796 1032980795 /nfs/dbraw/zinc/98/07/95/1032980795.db2.gz NNBMQFATZHHRFR-RYQLBKOJSA-N 1 1 377.448 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc2ccc(NCc3ccc(C[NH+]4CCOCC4)cc3)nc2c1 ZINC001156388036 1033011293 /nfs/dbraw/zinc/01/12/93/1033011293.db2.gz AIYJYJBKQGXFRZ-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO COCC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000754460549 1022721018 /nfs/dbraw/zinc/72/10/18/1022721018.db2.gz LLJBECWCHGYXEJ-FZMZJTMJSA-N 1 1 381.816 3.536 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755135702 1023089137 /nfs/dbraw/zinc/08/91/37/1023089137.db2.gz ZPTVCKDHYITCLU-QAPCUYQASA-N 1 1 395.793 3.588 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000755667082 1023329643 /nfs/dbraw/zinc/32/96/43/1023329643.db2.gz UNOIPSMLYPOYNA-FIIODCPWSA-N 1 1 396.447 3.617 20 5 GHBDMO CCCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCc2ncsc2C1 ZINC000830817365 1024165900 /nfs/dbraw/zinc/16/59/00/1024165900.db2.gz XSEPBWLVCQILIF-MAUKXSAKSA-N 1 1 375.494 3.744 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000838895764 1025424118 /nfs/dbraw/zinc/42/41/18/1025424118.db2.gz RGFSVPPCNHZUQS-LLVKDONJSA-N 1 1 398.212 3.929 20 5 GHBDMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCC[N@H+]1CCc2ccccc2C1 ZINC001162099734 1025605987 /nfs/dbraw/zinc/60/59/87/1025605987.db2.gz YVJNFPGKVGQZLQ-UHFFFAOYSA-N 1 1 382.851 3.689 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000839193932 1025715591 /nfs/dbraw/zinc/71/55/91/1025715591.db2.gz ZRKUKCUDSDDRDQ-SUMWQHHRSA-N 1 1 383.286 3.730 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000839193932 1025715597 /nfs/dbraw/zinc/71/55/97/1025715597.db2.gz ZRKUKCUDSDDRDQ-SUMWQHHRSA-N 1 1 383.286 3.730 20 5 GHBDMO Cc1cc(N2CCC(Nc3ncc([N+](=O)[O-])c4ccccc43)CC2)nc(C)[nH+]1 ZINC001162644744 1025850644 /nfs/dbraw/zinc/85/06/44/1025850644.db2.gz TXGPHCRRYIQVPU-UHFFFAOYSA-N 1 1 378.436 3.631 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839589842 1026088578 /nfs/dbraw/zinc/08/85/78/1026088578.db2.gz OVYBKMCEKZBRCB-YXJHDRRASA-N 1 1 395.887 3.592 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2nc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc12 ZINC001164485978 1026525875 /nfs/dbraw/zinc/52/58/75/1026525875.db2.gz KOHOHUFKFSPZQP-RYQLBKOJSA-N 1 1 377.448 3.794 20 5 GHBDMO CC[N@@H+]([C@H]1CCOC1)C1CCN(c2cc(C)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165109778 1026612165 /nfs/dbraw/zinc/61/21/65/1026612165.db2.gz WIAPOIRNIDBJHF-SFHVURJKSA-N 1 1 384.480 3.531 20 5 GHBDMO CC[N@@H+]([C@H]1CCOC1)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001165110005 1026612227 /nfs/dbraw/zinc/61/22/27/1026612227.db2.gz AMKKNPCNCILPEI-IBGZPJMESA-N 1 1 396.491 3.736 20 5 GHBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)n1 ZINC001165183753 1026652478 /nfs/dbraw/zinc/65/24/78/1026652478.db2.gz SEEFRVDOOSGBSY-CZUORRHYSA-N 1 1 389.887 3.693 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000840164030 1027297185 /nfs/dbraw/zinc/29/71/85/1027297185.db2.gz RACYDAMXHXAKJY-MRXNPFEDSA-N 1 1 398.385 3.583 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000840164030 1027297199 /nfs/dbraw/zinc/29/71/99/1027297199.db2.gz RACYDAMXHXAKJY-MRXNPFEDSA-N 1 1 398.385 3.583 20 5 GHBDMO CN(c1ccccc1)c1ccc(CNc2cc3n(n2)CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC001203446416 1027345444 /nfs/dbraw/zinc/34/54/44/1027345444.db2.gz GUFVWUCRJGTNEA-UHFFFAOYSA-N 1 1 392.463 3.617 20 5 GHBDMO CS(=O)(=O)N1CC[NH+](Cc2ccc3ccc4cccc5ccc2c3c45)CC1 ZINC001204003179 1027800994 /nfs/dbraw/zinc/80/09/94/1027800994.db2.gz CWYQVMOHSXWVOM-UHFFFAOYSA-N 1 1 378.497 3.661 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001142142408 1028235693 /nfs/dbraw/zinc/23/56/93/1028235693.db2.gz PKFFKMNDYCOCHC-MJQMVNBJSA-N 1 1 375.513 3.646 20 5 GHBDMO CC(=O)N(C)c1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001461639122 1069652851 /nfs/dbraw/zinc/65/28/51/1069652851.db2.gz ZCRLTOKRCSVKBR-UHFFFAOYSA-N 1 1 396.472 3.991 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001222772824 1030302646 /nfs/dbraw/zinc/30/26/46/1030302646.db2.gz GCBOGBZNDXHPCD-QGZVFWFLSA-N 1 1 384.432 3.563 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001150138697 1030422549 /nfs/dbraw/zinc/42/25/49/1030422549.db2.gz BMNAUOWAUYZICS-HNAYVOBHSA-N 1 1 399.516 3.957 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4C[C@H]5C[NH2+]C[C@H]5C4)ccc3c21 ZINC001218134577 1030790475 /nfs/dbraw/zinc/79/04/75/1030790475.db2.gz MZFZKHMYZYGPQD-JJLQDPRZSA-N 1 1 377.396 3.775 20 5 GHBDMO O=[N+]([O-])c1ccc(CO[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001224096720 1030882380 /nfs/dbraw/zinc/88/23/80/1030882380.db2.gz NZPYOJLWTSLYQJ-QGZVFWFLSA-N 1 1 389.383 3.823 20 5 GHBDMO C[C@H](Oc1ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC001218316684 1030890058 /nfs/dbraw/zinc/89/00/58/1030890058.db2.gz DAQSVGRTHLTGFN-KSSFIOAISA-N 1 1 386.448 3.946 20 5 GHBDMO Cc1cccn2c(C[NH2+]Cc3ccc(Br)cc3[N+](=O)[O-])cnc12 ZINC001461716209 1069698475 /nfs/dbraw/zinc/69/84/75/1069698475.db2.gz ATONKPZTPQACCL-UHFFFAOYSA-N 1 1 375.226 3.603 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001225449633 1031420602 /nfs/dbraw/zinc/42/06/02/1031420602.db2.gz XFWZXIDXTYNCOC-MGPUTAFESA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153425645 1031585234 /nfs/dbraw/zinc/58/52/34/1031585234.db2.gz UBKUVZZYMBQJRT-MRXNPFEDSA-N 1 1 378.472 3.941 20 5 GHBDMO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225895326 1031681374 /nfs/dbraw/zinc/68/13/74/1031681374.db2.gz SCBVFOHFONBKCH-JSGCOSHPSA-N 1 1 390.371 3.642 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225895326 1031681383 /nfs/dbraw/zinc/68/13/83/1031681383.db2.gz SCBVFOHFONBKCH-JSGCOSHPSA-N 1 1 390.371 3.642 20 5 GHBDMO Cc1c(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001220231650 1031848549 /nfs/dbraw/zinc/84/85/49/1031848549.db2.gz MLDACTSKIOULKO-GFCCVEGCSA-N 1 1 388.390 3.774 20 5 GHBDMO CCCN(C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C)[C@@H]1CC[N@@H+](C)C1 ZINC001220233251 1031849779 /nfs/dbraw/zinc/84/97/79/1031849779.db2.gz KOYPJESFAXIKOJ-GFCCVEGCSA-N 1 1 388.390 3.870 20 5 GHBDMO C[N@H+]1C[C@@H]2CC[C@@H](NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC001461831310 1069777597 /nfs/dbraw/zinc/77/75/97/1069777597.db2.gz PNLBIKDOXJDOID-JCURWCKSSA-N 1 1 375.856 3.938 20 5 GHBDMO C[N@H+]1CCC[C@H](Oc2ccc3c(c2)occ(-c2ccc([N+](=O)[O-])cc2)c3=O)C1 ZINC001229267921 1033380124 /nfs/dbraw/zinc/38/01/24/1033380124.db2.gz WOSNBPLCFIDIQL-KRWDZBQOSA-N 1 1 380.400 3.841 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229366747 1033440607 /nfs/dbraw/zinc/44/06/07/1033440607.db2.gz CYNDAFCBHHIFKZ-RDTXWAMCSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229402500 1033459314 /nfs/dbraw/zinc/45/93/14/1033459314.db2.gz KYEOLZKOYBZZJS-QRWLVFNGSA-N 1 1 378.432 3.827 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2ccc([N+](=O)[O-])nc2Cl)O1 ZINC001229919370 1033792630 /nfs/dbraw/zinc/79/26/30/1033792630.db2.gz LASDDUYFCZSGMX-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2ccc([N+](=O)[O-])nc2Cl)O1 ZINC001229919370 1033792646 /nfs/dbraw/zinc/79/26/46/1033792646.db2.gz LASDDUYFCZSGMX-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001229959532 1033817051 /nfs/dbraw/zinc/81/70/51/1033817051.db2.gz DRDARRFFTFYMQN-JXFKEZNVSA-N 1 1 398.459 3.979 20 5 GHBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccccc4[N+](=O)[O-])cc3)C[C@H]1[N@H+]2C ZINC001231253683 1034486585 /nfs/dbraw/zinc/48/65/85/1034486585.db2.gz OTLPPJLVCAFVEK-FBRLZHCOSA-N 1 1 396.443 3.807 20 5 GHBDMO COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232221990 1035169918 /nfs/dbraw/zinc/16/99/18/1035169918.db2.gz DMJVGBRKASXKIP-REWPJTCUSA-N 1 1 377.488 3.801 20 5 GHBDMO O=C(NCc1ccco1)C12CC(C1)C[N@@H+]2Cc1ccc2ccc3cccnc3c2n1 ZINC001232222737 1035170109 /nfs/dbraw/zinc/17/01/09/1035170109.db2.gz QJQWGVKCXQRFIS-UHFFFAOYSA-N 1 1 398.466 3.657 20 5 GHBDMO O=C(NCc1ccco1)C12CC(C1)C[N@H+]2Cc1ccc2ccc3cccnc3c2n1 ZINC001232222737 1035170114 /nfs/dbraw/zinc/17/01/14/1035170114.db2.gz QJQWGVKCXQRFIS-UHFFFAOYSA-N 1 1 398.466 3.657 20 5 GHBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3nccc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC001161193214 1035175049 /nfs/dbraw/zinc/17/50/49/1035175049.db2.gz UPOJSOAOWRWNRT-KRWDZBQOSA-N 1 1 378.432 3.838 20 5 GHBDMO CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001248662122 1036036914 /nfs/dbraw/zinc/03/69/14/1036036914.db2.gz JGKSCABYPVFVBU-PXNSSMCTSA-N 1 1 396.491 3.962 20 5 GHBDMO O=C1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1c1ccccc1 ZINC001462092513 1069990302 /nfs/dbraw/zinc/99/03/02/1069990302.db2.gz COSBUTVFJIRFAI-AWEZNQCLSA-N 1 1 379.338 3.509 20 5 GHBDMO Cc1ccc(F)cc1CN([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC001246953780 1037762016 /nfs/dbraw/zinc/76/20/16/1037762016.db2.gz CYTFREHMLCRDFP-QFIPXVFZSA-N 1 1 383.467 3.764 20 5 GHBDMO C[C@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC001247604982 1038271781 /nfs/dbraw/zinc/27/17/81/1038271781.db2.gz WCHPOZMPZFVKRO-HNNXBMFYSA-N 1 1 394.431 3.629 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC001247665296 1038301751 /nfs/dbraw/zinc/30/17/51/1038301751.db2.gz GZVLUNSHDUKWRI-SFHVURJKSA-N 1 1 393.447 3.878 20 5 GHBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001233532699 1039418511 /nfs/dbraw/zinc/41/85/11/1039418511.db2.gz ZSGXPVJQWAVOGH-JLVBRIDZSA-N 1 1 376.453 3.659 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@@H](CF)[C@H](C(F)(F)F)C3)CC2)cc1 ZINC001254474979 1040261950 /nfs/dbraw/zinc/26/19/50/1040261950.db2.gz XINVRURNKMNJLW-MLGOLLRUSA-N 1 1 375.366 3.643 20 5 GHBDMO COC(=O)CC[N@@H+](Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478965 1040266858 /nfs/dbraw/zinc/26/68/58/1040266858.db2.gz MLFKORMRHTXDSZ-UHFFFAOYSA-N 1 1 397.475 3.629 20 5 GHBDMO Cc1ccnc(O[C@@H]2CCC[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)c1 ZINC001254482016 1040270207 /nfs/dbraw/zinc/27/02/07/1040270207.db2.gz HHSDAMGIPXCQAR-OAQYLSRUSA-N 1 1 396.491 3.810 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001254537798 1040308665 /nfs/dbraw/zinc/30/86/65/1040308665.db2.gz HPPSNVWGHDEWDH-XJKSGUPXSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001254551772 1040319576 /nfs/dbraw/zinc/31/95/76/1040319576.db2.gz FIDTZGXKKFCLCG-IWCQGFGOSA-N 1 1 375.469 3.513 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001254554296 1040322342 /nfs/dbraw/zinc/32/23/42/1040322342.db2.gz BOFIIEHZWAPFNY-NTSGDEEZSA-N 1 1 397.475 3.622 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001254558248 1040328143 /nfs/dbraw/zinc/32/81/43/1040328143.db2.gz UBWSEGCAZJUWBC-OZOXKJRCSA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001254559879 1040331473 /nfs/dbraw/zinc/33/14/73/1040331473.db2.gz ZVZPVMHJTHQPHQ-HNNXBMFYSA-N 1 1 394.431 3.546 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001254559879 1040331493 /nfs/dbraw/zinc/33/14/93/1040331493.db2.gz ZVZPVMHJTHQPHQ-HNNXBMFYSA-N 1 1 394.431 3.546 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001254562105 1040334918 /nfs/dbraw/zinc/33/49/18/1040334918.db2.gz JOMGSMFDMRTEHZ-WCQYABFASA-N 1 1 384.358 3.807 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254563975 1040337764 /nfs/dbraw/zinc/33/77/64/1040337764.db2.gz HNSKTYLUTDPXBW-HLLBOEOZSA-N 1 1 377.485 3.761 20 5 GHBDMO CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254571573 1040348129 /nfs/dbraw/zinc/34/81/29/1040348129.db2.gz XYYJHAAVBXTEDO-SIKLNZKXSA-N 1 1 397.519 3.749 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592429 1040364057 /nfs/dbraw/zinc/36/40/57/1040364057.db2.gz DBXRZCFGYCWYGP-WIYYLYMNSA-N 1 1 387.480 3.537 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603502 1040374794 /nfs/dbraw/zinc/37/47/94/1040374794.db2.gz NUNRFFUCFVVCCN-ZMMAXQRCSA-N 1 1 387.480 3.582 20 5 GHBDMO COc1cccc2c1CN(CC1CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001462509731 1070312881 /nfs/dbraw/zinc/31/28/81/1070312881.db2.gz PVKFKXAILTXCAA-UHFFFAOYSA-N 1 1 395.503 3.874 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(-c3nnc([C@H]4CC[N@@H+](Cc5ccccc5)C4)o3)nc2c1 ZINC001255395559 1040983353 /nfs/dbraw/zinc/98/33/53/1040983353.db2.gz GFXUNBFCNRYDSE-AWEZNQCLSA-N 1 1 390.403 3.511 20 5 GHBDMO O=[N+]([O-])c1ccc(OCc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC001255418879 1041013748 /nfs/dbraw/zinc/01/37/48/1041013748.db2.gz DDTFGIOZMWJSIQ-INIZCTEOSA-N 1 1 380.404 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1F ZINC001255446326 1041047804 /nfs/dbraw/zinc/04/78/04/1041047804.db2.gz UVXHRFKDQDXUPC-INIZCTEOSA-N 1 1 382.395 3.697 20 5 GHBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106052 1043080866 /nfs/dbraw/zinc/08/08/66/1043080866.db2.gz RBBUPHWQYSAUEY-HZPDHXFCSA-N 1 1 398.511 3.572 20 5 GHBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1)[N@H+]1CCC[C@H](C)C1 ZINC001291106053 1043081664 /nfs/dbraw/zinc/08/16/64/1043081664.db2.gz RBBUPHWQYSAUEY-JKSUJKDBSA-N 1 1 398.511 3.572 20 5 GHBDMO CC[N@@H+]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001297723656 1045612223 /nfs/dbraw/zinc/61/22/23/1045612223.db2.gz FKNMORMHBGXIFG-OAHLLOKOSA-N 1 1 379.526 3.899 20 5 GHBDMO CC[N@H+]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001297723656 1045612228 /nfs/dbraw/zinc/61/22/28/1045612228.db2.gz FKNMORMHBGXIFG-OAHLLOKOSA-N 1 1 379.526 3.899 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c21 ZINC000612451318 1047543996 /nfs/dbraw/zinc/54/39/96/1047543996.db2.gz TWVURJJIEKHWHM-RCCFBDPRSA-N 1 1 389.459 3.861 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463341310 1070997566 /nfs/dbraw/zinc/99/75/66/1070997566.db2.gz CLAIRIWDSHBICK-HKBOAZHASA-N 1 1 393.487 3.554 20 5 GHBDMO C[C@@H]1C[C@@H](CCNc2cc(F)c([N+](=O)[O-])cc2CO)C[N@H+]1Cc1ccccc1 ZINC001307073136 1049054991 /nfs/dbraw/zinc/05/49/91/1049054991.db2.gz QAXRWPNNHOSWMT-NVXWUHKLSA-N 1 1 387.455 3.939 20 5 GHBDMO O=[N+]([O-])c1cccc(N2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 ZINC001307415378 1049255544 /nfs/dbraw/zinc/25/55/44/1049255544.db2.gz NKPLZQGIXFPGIE-UHFFFAOYSA-N 1 1 394.519 3.903 20 5 GHBDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307655646 1049480332 /nfs/dbraw/zinc/48/03/32/1049480332.db2.gz OBZJVMLDMZJMOI-JOCHJYFZSA-N 1 1 379.460 3.581 20 5 GHBDMO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001307674996 1049497380 /nfs/dbraw/zinc/49/73/80/1049497380.db2.gz NOGSPBOEXXQHHD-INIZCTEOSA-N 1 1 393.484 3.695 20 5 GHBDMO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001307674996 1049497386 /nfs/dbraw/zinc/49/73/86/1049497386.db2.gz NOGSPBOEXXQHHD-INIZCTEOSA-N 1 1 393.484 3.695 20 5 GHBDMO CCOc1cc(N2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001307735162 1049547301 /nfs/dbraw/zinc/54/73/01/1049547301.db2.gz WNSWJZJDXQEHNJ-YLJYHZDGSA-N 1 1 391.512 3.711 20 5 GHBDMO CC(C)c1ccc(OCCNC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC001307802789 1049601116 /nfs/dbraw/zinc/60/11/16/1049601116.db2.gz SHUPNCJWYXVPDT-UHFFFAOYSA-N 1 1 399.491 3.738 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001308022784 1049773999 /nfs/dbraw/zinc/77/39/99/1049773999.db2.gz RXCRLZLUWNQZEY-NVXWUHKLSA-N 1 1 375.469 3.816 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001308053970 1049801935 /nfs/dbraw/zinc/80/19/35/1049801935.db2.gz BLLGDUDWBHLFLZ-GJZGRUSLSA-N 1 1 385.468 3.648 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001308053970 1049801942 /nfs/dbraw/zinc/80/19/42/1049801942.db2.gz BLLGDUDWBHLFLZ-GJZGRUSLSA-N 1 1 385.468 3.648 20 5 GHBDMO CCOc1cc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC001308067757 1049814464 /nfs/dbraw/zinc/81/44/64/1049814464.db2.gz KKBUSSLKMRPEFE-UHFFFAOYSA-N 1 1 398.459 3.937 20 5 GHBDMO CCOc1cc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC001308067757 1049814481 /nfs/dbraw/zinc/81/44/81/1049814481.db2.gz KKBUSSLKMRPEFE-UHFFFAOYSA-N 1 1 398.459 3.937 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC001308085559 1049831007 /nfs/dbraw/zinc/83/10/07/1049831007.db2.gz ORKVRWSHNFYBCN-LSDHHAIUSA-N 1 1 388.493 3.641 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC001308085559 1049831017 /nfs/dbraw/zinc/83/10/17/1049831017.db2.gz ORKVRWSHNFYBCN-LSDHHAIUSA-N 1 1 388.493 3.641 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001308173929 1049900541 /nfs/dbraw/zinc/90/05/41/1049900541.db2.gz QDXGLZKVGIXVGR-OXQOHEQNSA-N 1 1 390.484 3.507 20 5 GHBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+](C2CCC2)C1 ZINC001327730302 1050265814 /nfs/dbraw/zinc/26/58/14/1050265814.db2.gz YPRQDFVYWZHYPP-CYBMUJFWSA-N 1 1 382.302 3.664 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001328986811 1050687085 /nfs/dbraw/zinc/68/70/85/1050687085.db2.gz HVOUUVKRMOWQFJ-SJLPKXTDSA-N 1 1 396.491 3.762 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC001310508380 1051403666 /nfs/dbraw/zinc/40/36/66/1051403666.db2.gz FKWPOVKCOJMZOE-RYUDHWBXSA-N 1 1 399.289 3.599 20 5 GHBDMO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[N@H+]1Cc1ccccc1 ZINC001310594968 1051475370 /nfs/dbraw/zinc/47/53/70/1051475370.db2.gz OHQXOTZBZHOHDB-QGZVFWFLSA-N 1 1 398.463 3.732 20 5 GHBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C)[C@@H]1CC[N@@H+](CC)C1 ZINC001311258996 1051973268 /nfs/dbraw/zinc/97/32/68/1051973268.db2.gz SAGGCTMCESVSEE-GFCCVEGCSA-N 1 1 388.390 3.870 20 5 GHBDMO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC001336856568 1052352122 /nfs/dbraw/zinc/35/21/22/1052352122.db2.gz OBBTXPKMCKNVIX-LBPRGKRZSA-N 1 1 386.481 3.935 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2Cc3ccccc3C3(CCC3)C2)cc1[N+](=O)[O-] ZINC001343310310 1053695504 /nfs/dbraw/zinc/69/55/04/1053695504.db2.gz VAAPYLWWWTYMRI-UHFFFAOYSA-N 1 1 396.443 3.584 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2Cc3ccccc3C3(CCC3)C2)cc1[N+](=O)[O-] ZINC001343310310 1053695511 /nfs/dbraw/zinc/69/55/11/1053695511.db2.gz VAAPYLWWWTYMRI-UHFFFAOYSA-N 1 1 396.443 3.584 20 5 GHBDMO CC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC001318024951 1054357264 /nfs/dbraw/zinc/35/72/64/1054357264.db2.gz SEKQJCQUMIIUQH-UHFFFAOYSA-N 1 1 383.448 3.943 20 5 GHBDMO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccsc3)CC2)c(Br)c1 ZINC001320412843 1055792006 /nfs/dbraw/zinc/79/20/06/1055792006.db2.gz MGSVUFNRBOYIMF-UHFFFAOYSA-N 1 1 396.310 3.737 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001353992661 1056226327 /nfs/dbraw/zinc/22/63/27/1056226327.db2.gz HOVVJFRELNXJHO-INIZCTEOSA-N 1 1 399.466 3.967 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324290879 1057105751 /nfs/dbraw/zinc/10/57/51/1057105751.db2.gz XKIFTTXTCUCGIM-SEJPIABJSA-N 1 1 393.487 3.839 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001356354814 1057486745 /nfs/dbraw/zinc/48/67/45/1057486745.db2.gz LGTAMMDZCPHZCA-IAGOWNOFSA-N 1 1 399.466 3.788 20 5 GHBDMO CN(CC(F)F)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001338320404 1058511687 /nfs/dbraw/zinc/51/16/87/1058511687.db2.gz PGOAHLMFIYOPGF-UHFFFAOYSA-N 1 1 392.244 3.519 20 5 GHBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001442347068 1058950168 /nfs/dbraw/zinc/95/01/68/1058950168.db2.gz ZZDVWULYNPQEBQ-HOTGVXAUSA-N 1 1 382.464 3.507 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001443222640 1059088403 /nfs/dbraw/zinc/08/84/03/1059088403.db2.gz YJQNBUJSGPYKJX-UHFFFAOYSA-N 1 1 387.402 3.950 20 5 GHBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001444844093 1059395275 /nfs/dbraw/zinc/39/52/75/1059395275.db2.gz DICVBLJHQBOKJT-QGZVFWFLSA-N 1 1 382.464 3.603 20 5 GHBDMO C[C@]12CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001454404974 1061759871 /nfs/dbraw/zinc/75/98/71/1061759871.db2.gz OIXAMULXEYGFDK-SZPZYZBQSA-N 1 1 397.450 3.718 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001454553862 1061839641 /nfs/dbraw/zinc/83/96/41/1061839641.db2.gz JXMXJINZDHAXET-JTQLQIEISA-N 1 1 390.242 3.787 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC001347484213 1062421086 /nfs/dbraw/zinc/42/10/86/1062421086.db2.gz OQRSRIMOASYVNQ-CVEARBPZSA-N 1 1 390.484 3.722 20 5 GHBDMO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC001458087933 1063556887 /nfs/dbraw/zinc/55/68/87/1063556887.db2.gz YYAKENDFSCCHRJ-GASCZTMLSA-N 1 1 388.443 3.707 20 5 GHBDMO CNC(=O)c1ccc(Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)c([N+](=O)[O-])c1 ZINC001458288004 1063722820 /nfs/dbraw/zinc/72/28/20/1063722820.db2.gz XHDXDXPUXKLCNI-CQSZACIVSA-N 1 1 383.452 3.780 20 5 GHBDMO CCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC001459359718 1064074223 /nfs/dbraw/zinc/07/42/23/1064074223.db2.gz ZBWSVLVREQYXAU-VQTJNVASSA-N 1 1 384.476 3.604 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001464046788 1064787670 /nfs/dbraw/zinc/78/76/70/1064787670.db2.gz NBXBNXRFOUDVSS-LJQANCHMSA-N 1 1 387.867 3.871 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001464046788 1064787681 /nfs/dbraw/zinc/78/76/81/1064787681.db2.gz NBXBNXRFOUDVSS-LJQANCHMSA-N 1 1 387.867 3.871 20 5 GHBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(C)(C)C ZINC001360104216 1068361639 /nfs/dbraw/zinc/36/16/39/1068361639.db2.gz MYGRIWCNIUDTDD-UHFFFAOYSA-N 1 1 388.516 3.676 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001460099385 1068781444 /nfs/dbraw/zinc/78/14/44/1068781444.db2.gz KYHATELZAMQRBO-JOCHJYFZSA-N 1 1 381.476 3.572 20 5 GHBDMO CCN(CCOC)c1cccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001460134366 1068803782 /nfs/dbraw/zinc/80/37/82/1068803782.db2.gz WNMVWKTZENURHI-IBGZPJMESA-N 1 1 398.507 3.842 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001460678973 1069080647 /nfs/dbraw/zinc/08/06/47/1069080647.db2.gz SMKAHYCZLPXRAM-INIZCTEOSA-N 1 1 383.448 3.812 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001460678973 1069080656 /nfs/dbraw/zinc/08/06/56/1069080656.db2.gz SMKAHYCZLPXRAM-INIZCTEOSA-N 1 1 383.448 3.812 20 5 GHBDMO O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001460791988 1069181402 /nfs/dbraw/zinc/18/14/02/1069181402.db2.gz LSEPRAQVIXLQEC-BONVTDFDSA-N 1 1 391.777 3.851 20 5 GHBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001460791988 1069181406 /nfs/dbraw/zinc/18/14/06/1069181406.db2.gz LSEPRAQVIXLQEC-BONVTDFDSA-N 1 1 391.777 3.851 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001460938316 1069285968 /nfs/dbraw/zinc/28/59/68/1069285968.db2.gz RZORKKQAOVTCEV-KRWDZBQOSA-N 1 1 383.448 3.645 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001460938316 1069285977 /nfs/dbraw/zinc/28/59/77/1069285977.db2.gz RZORKKQAOVTCEV-KRWDZBQOSA-N 1 1 383.448 3.645 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001460938862 1069286121 /nfs/dbraw/zinc/28/61/21/1069286121.db2.gz LOZBLGXSZXVIRJ-YKTARERQSA-N 1 1 378.469 3.662 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001470781942 1072738157 /nfs/dbraw/zinc/73/81/57/1072738157.db2.gz YHJYZTODPCRMJP-BEFAXECRSA-N 1 1 381.476 3.852 20 5 GHBDMO O=[N+]([O-])c1cnc(NCc2cccc(C[NH+]3CCOCC3)c2)c2ccccc21 ZINC001472662349 1073603247 /nfs/dbraw/zinc/60/32/47/1073603247.db2.gz NPRHDUUYGUPBLH-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNc2cccc(Br)c2[N+](=O)[O-])cn1 ZINC001472663912 1073603836 /nfs/dbraw/zinc/60/38/36/1073603836.db2.gz JDRZRAJSSQHPSM-UHFFFAOYSA-N 1 1 388.225 3.859 20 5 GHBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001472754143 1073650833 /nfs/dbraw/zinc/65/08/33/1073650833.db2.gz QPRYAYYFUUEAMV-LSDHHAIUSA-N 1 1 386.496 3.552 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)s1 ZINC001472821699 1073681719 /nfs/dbraw/zinc/68/17/19/1073681719.db2.gz UWTFJMLRBXUVMI-CQSZACIVSA-N 1 1 390.465 3.831 20 5 GHBDMO COc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)c1 ZINC001472858383 1073698119 /nfs/dbraw/zinc/69/81/19/1073698119.db2.gz XJIUEWJIFXUISG-UHFFFAOYSA-N 1 1 393.390 3.527 20 5 GHBDMO Cc1cc(N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)ccc1[N+](=O)[O-] ZINC001472862317 1073700489 /nfs/dbraw/zinc/70/04/89/1073700489.db2.gz LNAHBAOWEAERRG-GCJKJVERSA-N 1 1 381.476 3.773 20 5 GHBDMO CC(C)[N@@H+](CCO)CC1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001472883565 1073711825 /nfs/dbraw/zinc/71/18/25/1073711825.db2.gz ZGYFFHBXOQMOMC-UHFFFAOYSA-N 1 1 389.418 3.533 20 5 GHBDMO COc1ccc(C[C@@H]2CC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC001473218130 1073866886 /nfs/dbraw/zinc/86/68/86/1073866886.db2.gz GPOHPOGVQDTWCH-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC001473530196 1074004975 /nfs/dbraw/zinc/00/49/75/1074004975.db2.gz HEPNIODAIPZDLT-NQIIRXRSSA-N 1 1 382.460 3.952 20 5 GHBDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473566404 1074019448 /nfs/dbraw/zinc/01/94/48/1074019448.db2.gz RFMVCUICKPPCBE-JOCHJYFZSA-N 1 1 397.450 3.720 20 5 GHBDMO CCC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001473714831 1074103453 /nfs/dbraw/zinc/10/34/53/1074103453.db2.gz LDXQLAFXKAHZLZ-FQEVSTJZSA-N 1 1 383.448 3.621 20 5 GHBDMO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC001474337112 1074349899 /nfs/dbraw/zinc/34/98/99/1074349899.db2.gz ITKLPBINTPIZFQ-INIZCTEOSA-N 1 1 393.365 3.677 20 5 GHBDMO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC001474337112 1074349903 /nfs/dbraw/zinc/34/99/03/1074349903.db2.gz ITKLPBINTPIZFQ-INIZCTEOSA-N 1 1 393.365 3.677 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474464521 1074417980 /nfs/dbraw/zinc/41/79/80/1074417980.db2.gz QCCVMGSQUNNMNW-IBGZPJMESA-N 1 1 382.464 3.982 20 5 GHBDMO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474464521 1074417983 /nfs/dbraw/zinc/41/79/83/1074417983.db2.gz QCCVMGSQUNNMNW-IBGZPJMESA-N 1 1 382.464 3.982 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC001474470085 1074420629 /nfs/dbraw/zinc/42/06/29/1074420629.db2.gz YMCLHGKWGRMARR-UHFFFAOYSA-N 1 1 377.485 3.764 20 5 GHBDMO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1 ZINC001474652353 1074500338 /nfs/dbraw/zinc/50/03/38/1074500338.db2.gz LJDAALNXPBXHEK-UHFFFAOYSA-N 1 1 387.867 3.951 20 5 GHBDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[nH]1 ZINC001474724359 1074534894 /nfs/dbraw/zinc/53/48/94/1074534894.db2.gz PVDCUIVSDUYMBI-DMDPSCGWSA-N 1 1 383.374 3.794 20 5 GHBDMO COc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001476319560 1075124139 /nfs/dbraw/zinc/12/41/39/1075124139.db2.gz MIGYAJZFIYJLIO-SFHVURJKSA-N 1 1 398.463 3.780 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c21 ZINC001164631513 719108443 /nfs/dbraw/zinc/10/84/43/719108443.db2.gz YKFKNRDNSYTOEG-XLIONFOSSA-N 1 1 389.459 3.639 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccccc2OCCO)c2ccccc2)c1 ZINC000180618751 837403624 /nfs/dbraw/zinc/40/36/24/837403624.db2.gz WSIAIDHOTNYFIF-JOCHJYFZSA-N 1 1 378.428 3.845 20 5 GHBDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000535965853 837423532 /nfs/dbraw/zinc/42/35/32/837423532.db2.gz OYCMNNQGLYTBHY-GOSISDBHSA-N 1 1 380.448 3.796 20 5 GHBDMO Cc1c(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000580909261 837425392 /nfs/dbraw/zinc/42/53/92/837425392.db2.gz OWMMILOMOYGMPW-QFIPXVFZSA-N 1 1 379.460 3.641 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000511456665 837440061 /nfs/dbraw/zinc/44/00/61/837440061.db2.gz LUCATIONFCJUEN-QGZVFWFLSA-N 1 1 390.528 3.679 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3[nH]cnc3C2)ccc1Oc1ccc(F)cc1 ZINC000581078502 837457580 /nfs/dbraw/zinc/45/75/80/837457580.db2.gz XAELNAODWBBCJE-HNNXBMFYSA-N 1 1 382.395 3.896 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173339288 837690490 /nfs/dbraw/zinc/69/04/90/837690490.db2.gz RZTMIHNLSGBUSK-SFHVURJKSA-N 1 1 382.464 3.971 20 5 GHBDMO C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000557538672 834350690 /nfs/dbraw/zinc/35/06/90/834350690.db2.gz YGQVDLHGJSECMJ-KCPJHIHWSA-N 1 1 387.402 3.681 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000583503916 834511604 /nfs/dbraw/zinc/51/16/04/834511604.db2.gz VVMRUUBILQBIAL-BXTJHSDWSA-N 1 1 385.439 3.617 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000163221059 834670780 /nfs/dbraw/zinc/67/07/80/834670780.db2.gz LXAGHSLAJASVDF-SJKOYZFVSA-N 1 1 378.860 3.729 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1F ZINC000176788014 834672636 /nfs/dbraw/zinc/67/26/36/834672636.db2.gz GKKSCZUAEALAKH-UHFFFAOYSA-N 1 1 386.358 3.606 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000175286213 834696409 /nfs/dbraw/zinc/69/64/09/834696409.db2.gz QGAUDRRNFZCXOD-LJQANCHMSA-N 1 1 381.476 3.887 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000728571626 834792072 /nfs/dbraw/zinc/79/20/72/834792072.db2.gz HRJZOUUCAHIDKU-AWEZNQCLSA-N 1 1 396.919 3.627 20 5 GHBDMO CC[N@H+](C[C@H](C)O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000510077410 834932102 /nfs/dbraw/zinc/93/21/02/834932102.db2.gz CTUJXZBBWUKUBV-SCLBCKFNSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](C[C@H](C)O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000510077410 834932108 /nfs/dbraw/zinc/93/21/08/834932108.db2.gz CTUJXZBBWUKUBV-SCLBCKFNSA-N 1 1 391.855 3.631 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000176894404 835015568 /nfs/dbraw/zinc/01/55/68/835015568.db2.gz SSRUQGWUCBQNTG-MRXNPFEDSA-N 1 1 379.819 3.728 20 5 GHBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000610200141 835022570 /nfs/dbraw/zinc/02/25/70/835022570.db2.gz USKIIMJAAWBYOC-INIZCTEOSA-N 1 1 399.495 3.546 20 5 GHBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)C1 ZINC000163322755 835088726 /nfs/dbraw/zinc/08/87/26/835088726.db2.gz BOMYYONHRDGPHL-AWEZNQCLSA-N 1 1 379.888 3.719 20 5 GHBDMO Cc1ccc(OCCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000583819065 835090413 /nfs/dbraw/zinc/09/04/13/835090413.db2.gz IPHBFOXWUUOIQA-HXUWFJFHSA-N 1 1 380.448 3.785 20 5 GHBDMO COc1cc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000480580483 835112649 /nfs/dbraw/zinc/11/26/49/835112649.db2.gz QOVYDZFUGPKJAT-WMZOPIPTSA-N 1 1 397.475 3.552 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136185140 835319281 /nfs/dbraw/zinc/31/92/81/835319281.db2.gz YWWMGUHBURZYBX-MAUKXSAKSA-N 1 1 382.464 3.996 20 5 GHBDMO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000179333365 835536958 /nfs/dbraw/zinc/53/69/58/835536958.db2.gz VOVRYHMYYKYJPT-INIZCTEOSA-N 1 1 377.828 3.609 20 5 GHBDMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000179333365 835536964 /nfs/dbraw/zinc/53/69/64/835536964.db2.gz VOVRYHMYYKYJPT-INIZCTEOSA-N 1 1 377.828 3.609 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](C)Cc2csc3ccccc23)c([N+](=O)[O-])c1 ZINC000052805469 835660251 /nfs/dbraw/zinc/66/02/51/835660251.db2.gz UPOARWLSAVWZCK-UHFFFAOYSA-N 1 1 385.445 3.889 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C)Cc2csc3ccccc23)c([N+](=O)[O-])c1 ZINC000052805469 835660253 /nfs/dbraw/zinc/66/02/53/835660253.db2.gz UPOARWLSAVWZCK-UHFFFAOYSA-N 1 1 385.445 3.889 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC001167094431 835896502 /nfs/dbraw/zinc/89/65/02/835896502.db2.gz PHVLKMHDOYEQAE-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC001167094431 835896508 /nfs/dbraw/zinc/89/65/08/835896508.db2.gz PHVLKMHDOYEQAE-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2Cc3sccc3CC2(C)C)c([N+](=O)[O-])c1 ZINC000411822902 836371318 /nfs/dbraw/zinc/37/13/18/836371318.db2.gz VOFQYYUHMCPUBG-UHFFFAOYSA-N 1 1 389.477 3.830 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510191743 836702453 /nfs/dbraw/zinc/70/24/53/836702453.db2.gz JAUUPZCNPTYSQT-MJGOQNOKSA-N 1 1 381.476 3.934 20 5 GHBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000511375384 836743387 /nfs/dbraw/zinc/74/33/87/836743387.db2.gz BTODHRLJNHQMSC-HNNXBMFYSA-N 1 1 381.432 3.767 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000513065574 844211927 /nfs/dbraw/zinc/21/19/27/844211927.db2.gz TURHRNQKVQHDSN-GASCZTMLSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000513065574 844211931 /nfs/dbraw/zinc/21/19/31/844211931.db2.gz TURHRNQKVQHDSN-GASCZTMLSA-N 1 1 385.489 3.911 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001167240403 837004909 /nfs/dbraw/zinc/00/49/09/837004909.db2.gz DCNZHCDWNXLUKC-KRWDZBQOSA-N 1 1 390.484 3.601 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000186276764 837132639 /nfs/dbraw/zinc/13/26/39/837132639.db2.gz KFQMHVPYXURQNX-HNNXBMFYSA-N 1 1 387.455 3.994 20 5 GHBDMO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000275622512 838052542 /nfs/dbraw/zinc/05/25/42/838052542.db2.gz RQOSKOHXBFPFGE-IRXDYDNUSA-N 1 1 399.476 3.555 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134030145 838156093 /nfs/dbraw/zinc/15/60/93/838156093.db2.gz FNPNPUOFYWHGCE-ZIAGYGMSSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134030145 838156101 /nfs/dbraw/zinc/15/61/01/838156101.db2.gz FNPNPUOFYWHGCE-ZIAGYGMSSA-N 1 1 381.448 3.859 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000275752182 838686485 /nfs/dbraw/zinc/68/64/85/838686485.db2.gz DMMHINSQEBEGMK-UONOGXRCSA-N 1 1 379.888 3.939 20 5 GHBDMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866064 838733780 /nfs/dbraw/zinc/73/37/80/838733780.db2.gz BTAPAZBQHKGDTG-CYBMUJFWSA-N 1 1 385.449 3.701 20 5 GHBDMO Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866064 838733786 /nfs/dbraw/zinc/73/37/86/838733786.db2.gz BTAPAZBQHKGDTG-CYBMUJFWSA-N 1 1 385.449 3.701 20 5 GHBDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866909 838744338 /nfs/dbraw/zinc/74/43/38/838744338.db2.gz AOSRTRFIRWGLDN-HOTGVXAUSA-N 1 1 397.479 3.627 20 5 GHBDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866909 838744341 /nfs/dbraw/zinc/74/43/41/838744341.db2.gz AOSRTRFIRWGLDN-HOTGVXAUSA-N 1 1 397.479 3.627 20 5 GHBDMO COc1ccc2c(c1)C[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000104676920 838849600 /nfs/dbraw/zinc/84/96/00/838849600.db2.gz WVQMNPFTTQMATF-UHFFFAOYSA-N 1 1 379.416 3.859 20 5 GHBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000378376403 838982089 /nfs/dbraw/zinc/98/20/89/838982089.db2.gz JOVQWDCNECNNHB-PXNSSMCTSA-N 1 1 396.447 3.676 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCCC[NH2+]C2CC2)cc1 ZINC000415064874 839142701 /nfs/dbraw/zinc/14/27/01/839142701.db2.gz FBPZJAJLQFKZMC-UHFFFAOYSA-N 1 1 391.475 3.679 20 5 GHBDMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173747 839160442 /nfs/dbraw/zinc/16/04/42/839160442.db2.gz UTGZWWXFLJUJJN-VZLUNSFSSA-N 1 1 385.508 3.543 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000412121138 839714076 /nfs/dbraw/zinc/71/40/76/839714076.db2.gz LPVYBAJPMKPZHX-UHFFFAOYSA-N 1 1 391.512 3.966 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610451689 840024074 /nfs/dbraw/zinc/02/40/74/840024074.db2.gz ZGQQUXGLNOSFPI-QGZVFWFLSA-N 1 1 397.475 3.558 20 5 GHBDMO Cc1cccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000015100714 840179910 /nfs/dbraw/zinc/17/99/10/840179910.db2.gz ALVOJIYDLGASES-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1cccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000015100714 840179914 /nfs/dbraw/zinc/17/99/14/840179914.db2.gz ALVOJIYDLGASES-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO COc1ccc(CC2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000109963366 840605683 /nfs/dbraw/zinc/60/56/83/840605683.db2.gz VLPIKWTZYQEKSR-UHFFFAOYSA-N 1 1 397.475 3.521 20 5 GHBDMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000511816022 840854239 /nfs/dbraw/zinc/85/42/39/840854239.db2.gz AUAGPNNUXUJCDH-RBUKOAKNSA-N 1 1 391.427 3.586 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181671670 840897659 /nfs/dbraw/zinc/89/76/59/840897659.db2.gz WIZJZZGBHNGGSA-ZBFHGGJFSA-N 1 1 386.496 3.552 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000126320223 840922308 /nfs/dbraw/zinc/92/23/08/840922308.db2.gz VAMMZELGYSZXTN-UHFFFAOYSA-N 1 1 378.432 3.525 20 5 GHBDMO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000124559721 840993385 /nfs/dbraw/zinc/99/33/85/840993385.db2.gz QPQOGMJVNKTONE-ZDUSSCGKSA-N 1 1 375.400 3.592 20 5 GHBDMO CC[N@@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000124559721 840993396 /nfs/dbraw/zinc/99/33/96/840993396.db2.gz QPQOGMJVNKTONE-ZDUSSCGKSA-N 1 1 375.400 3.592 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC001126008227 841276997 /nfs/dbraw/zinc/27/69/97/841276997.db2.gz RUFQBHYSKFNLOX-MRXNPFEDSA-N 1 1 383.448 3.857 20 5 GHBDMO C[N@@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000600178209 861194236 /nfs/dbraw/zinc/19/42/36/861194236.db2.gz HJBNPVVKSWXSPA-IBGZPJMESA-N 1 1 392.839 3.624 20 5 GHBDMO COc1cccc(OC)c1OC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276261372 841501596 /nfs/dbraw/zinc/50/15/96/841501596.db2.gz BCWUEVMYSQVUOC-UHFFFAOYSA-N 1 1 390.411 3.795 20 5 GHBDMO CCOc1ccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000108688536 841679426 /nfs/dbraw/zinc/67/94/26/841679426.db2.gz GTVOFQSFXDHVMP-UHFFFAOYSA-N 1 1 389.496 3.722 20 5 GHBDMO COc1ccccc1C[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000109103116 841784687 /nfs/dbraw/zinc/78/46/87/841784687.db2.gz BJBUHBOYOIRHFJ-UHFFFAOYSA-N 1 1 383.448 3.905 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000109103359 841784757 /nfs/dbraw/zinc/78/47/57/841784757.db2.gz ICQADOJRLJONKW-IBGZPJMESA-N 1 1 397.475 3.913 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000110383477 841901836 /nfs/dbraw/zinc/90/18/36/841901836.db2.gz PHGQVLNURMXJDR-YQQQUEKLSA-N 1 1 379.460 3.829 20 5 GHBDMO COc1ccc(C[NH+]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)cc1F ZINC000432333343 842064177 /nfs/dbraw/zinc/06/41/77/842064177.db2.gz BMCHSBNHPWMVKQ-UHFFFAOYSA-N 1 1 396.422 3.613 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000121455589 842128596 /nfs/dbraw/zinc/12/85/96/842128596.db2.gz QXHAMFVLQWIHQL-INIZCTEOSA-N 1 1 395.463 3.630 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000581764755 842179563 /nfs/dbraw/zinc/17/95/63/842179563.db2.gz GIRHYELXSAZUHM-SFHVURJKSA-N 1 1 384.436 3.514 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000581764755 842179567 /nfs/dbraw/zinc/17/95/67/842179567.db2.gz GIRHYELXSAZUHM-SFHVURJKSA-N 1 1 384.436 3.514 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000302003616 842196326 /nfs/dbraw/zinc/19/63/26/842196326.db2.gz YNUOAEOBGMNDJK-VIFPVBQESA-N 1 1 385.302 3.629 20 5 GHBDMO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccc(C)cc1 ZINC000093640764 842305449 /nfs/dbraw/zinc/30/54/49/842305449.db2.gz MRHXIGDJPIJWTM-NRFANRHFSA-N 1 1 394.475 3.859 20 5 GHBDMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000728890944 842339648 /nfs/dbraw/zinc/33/96/48/842339648.db2.gz GKAXPTINYKTFQY-NLZINVLXSA-N 1 1 395.459 3.522 20 5 GHBDMO Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C(C)C)c1 ZINC001167486988 842363467 /nfs/dbraw/zinc/36/34/67/842363467.db2.gz DAKAEXRQZHLGDE-KRWDZBQOSA-N 1 1 376.428 3.693 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000603890074 861335782 /nfs/dbraw/zinc/33/57/82/861335782.db2.gz OBLKEQSDOCGAFA-PKOBYXMFSA-N 1 1 395.459 3.695 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000603890072 861336350 /nfs/dbraw/zinc/33/63/50/861336350.db2.gz OBLKEQSDOCGAFA-IEBWSBKVSA-N 1 1 395.459 3.695 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000603895574 861342572 /nfs/dbraw/zinc/34/25/72/861342572.db2.gz URCDRAKGNIUBMR-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000510578663 842996312 /nfs/dbraw/zinc/99/63/12/842996312.db2.gz KXVTVWNPLNGTJX-NRFANRHFSA-N 1 1 395.503 3.741 20 5 GHBDMO Cc1cc(OCC(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)ccc1[N+](=O)[O-] ZINC000430810793 843000159 /nfs/dbraw/zinc/00/01/59/843000159.db2.gz WJAOIVLQUKEVDC-UHFFFAOYSA-N 1 1 383.448 3.557 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+](CCCO)[C@H]3CCCc4ccccc43)nc2c1 ZINC000610582390 843092688 /nfs/dbraw/zinc/09/26/88/843092688.db2.gz BSBSGCVYQUPKHP-IBGZPJMESA-N 1 1 381.432 3.998 20 5 GHBDMO COc1cc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000512261311 843252402 /nfs/dbraw/zinc/25/24/02/843252402.db2.gz NMTXRVIFGFYDNK-JOCHJYFZSA-N 1 1 381.476 3.701 20 5 GHBDMO O=[N+]([O-])c1cccc2c(NCc3ccc(C[NH+]4CCOCC4)cc3)ccnc21 ZINC000432315945 843505362 /nfs/dbraw/zinc/50/53/62/843505362.db2.gz XJPZSFCCZIXGGO-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO CCOCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599625509 861453001 /nfs/dbraw/zinc/45/30/01/861453001.db2.gz MVCHNGRRFZIKPP-LJQANCHMSA-N 1 1 397.475 3.868 20 5 GHBDMO CCOCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599625509 861453005 /nfs/dbraw/zinc/45/30/05/861453005.db2.gz MVCHNGRRFZIKPP-LJQANCHMSA-N 1 1 397.475 3.868 20 5 GHBDMO C[N@@H+](CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000065115859 843799734 /nfs/dbraw/zinc/79/97/34/843799734.db2.gz HAWRWIBGHUZWDM-UHFFFAOYSA-N 1 1 396.472 3.580 20 5 GHBDMO C[NH+](C)Cc1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1Cl ZINC000500749759 843944085 /nfs/dbraw/zinc/94/40/85/843944085.db2.gz MUVAOUVTBRFKBI-UHFFFAOYSA-N 1 1 386.839 3.972 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000509758995 843944948 /nfs/dbraw/zinc/94/49/48/843944948.db2.gz AWYKALRNCXIAKX-PXNSSMCTSA-N 1 1 396.491 3.695 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000509846706 843960588 /nfs/dbraw/zinc/96/05/88/843960588.db2.gz CLBDBNHAXSGSIQ-UHFFFAOYSA-N 1 1 379.382 3.720 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000047544209 844987443 /nfs/dbraw/zinc/98/74/43/844987443.db2.gz IIPRECMZOUQGRG-INIZCTEOSA-N 1 1 383.448 3.987 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433055916 845076616 /nfs/dbraw/zinc/07/66/16/845076616.db2.gz GAFXRKCRXACEET-QGZVFWFLSA-N 1 1 383.448 3.812 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433078356 845204408 /nfs/dbraw/zinc/20/44/08/845204408.db2.gz RPQSBRNIFIAGDI-QGZVFWFLSA-N 1 1 381.432 3.772 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000433826418 845441013 /nfs/dbraw/zinc/44/10/13/845441013.db2.gz OLKCNPRUEOQQJO-OAHLLOKOSA-N 1 1 399.495 3.603 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1[N+](=O)[O-] ZINC000433826446 845443882 /nfs/dbraw/zinc/44/38/82/845443882.db2.gz OUGIIMKPFGCNII-HNNXBMFYSA-N 1 1 399.495 3.746 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000433827487 845444950 /nfs/dbraw/zinc/44/49/50/845444950.db2.gz ZIRLENINVWOMHP-HNNXBMFYSA-N 1 1 399.495 3.746 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000843813002 861576020 /nfs/dbraw/zinc/57/60/20/861576020.db2.gz FVTOLBDZYGEGKQ-OAHLLOKOSA-N 1 1 385.439 3.779 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000071931755 845840241 /nfs/dbraw/zinc/84/02/41/845840241.db2.gz UUITVAJURBRTIZ-INIZCTEOSA-N 1 1 383.448 3.844 20 5 GHBDMO CC(C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000120053431 846052555 /nfs/dbraw/zinc/05/25/55/846052555.db2.gz BWVUCCPUALKFSQ-FQEVSTJZSA-N 1 1 385.439 3.547 20 5 GHBDMO COc1cc(C[N@H+](C)Cc2cnn(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000119729490 846072050 /nfs/dbraw/zinc/07/20/50/846072050.db2.gz DTGZTQCIBDPUKP-UHFFFAOYSA-N 1 1 396.447 3.548 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000119729490 846072062 /nfs/dbraw/zinc/07/20/62/846072062.db2.gz DTGZTQCIBDPUKP-UHFFFAOYSA-N 1 1 396.447 3.548 20 5 GHBDMO COc1ccc(C)cc1CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513678130 846225219 /nfs/dbraw/zinc/22/52/19/846225219.db2.gz IIIWEJIYGPYZSK-HXUWFJFHSA-N 1 1 380.448 3.567 20 5 GHBDMO CCOc1ccc(-c2noc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000511067346 846247585 /nfs/dbraw/zinc/24/75/85/846247585.db2.gz VEUVHBWAAMRQLA-UHFFFAOYSA-N 1 1 382.420 3.718 20 5 GHBDMO CCOc1ccc(-c2noc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000511067346 846247596 /nfs/dbraw/zinc/24/75/96/846247596.db2.gz VEUVHBWAAMRQLA-UHFFFAOYSA-N 1 1 382.420 3.718 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000502636007 846279208 /nfs/dbraw/zinc/27/92/08/846279208.db2.gz JILPUGCJAAQMKS-GFCCVEGCSA-N 1 1 386.399 3.582 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000513691044 846347551 /nfs/dbraw/zinc/34/75/51/846347551.db2.gz QBBPNWPXIFXAFL-INIZCTEOSA-N 1 1 376.869 3.965 20 5 GHBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548693188 846483840 /nfs/dbraw/zinc/48/38/40/846483840.db2.gz GBNYUDYXSJYITC-IYBDPMFKSA-N 1 1 377.488 3.674 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000843817945 861696408 /nfs/dbraw/zinc/69/64/08/861696408.db2.gz TYUJRVHIMOELKN-YOEHRIQHSA-N 1 1 385.439 3.825 20 5 GHBDMO Cn1ccnc1COc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511095994 846737204 /nfs/dbraw/zinc/73/72/04/846737204.db2.gz NCIJBNWCAHINPH-UHFFFAOYSA-N 1 1 380.448 3.582 20 5 GHBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)c2C1 ZINC000158269644 847165754 /nfs/dbraw/zinc/16/57/54/847165754.db2.gz NUZGLSDITWEMNA-UHFFFAOYSA-N 1 1 382.464 3.885 20 5 GHBDMO CC[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)CCC(F)(F)F ZINC000599835704 861770558 /nfs/dbraw/zinc/77/05/58/861770558.db2.gz NHGDXRQGRJIKBZ-UHFFFAOYSA-N 1 1 399.373 3.539 20 5 GHBDMO COC(=O)c1cc(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)cc([N+](=O)[O-])c1 ZINC000158373128 847365381 /nfs/dbraw/zinc/36/53/81/847365381.db2.gz QUAHYMSVDRABMU-UHFFFAOYSA-N 1 1 397.431 3.605 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000479229441 847576104 /nfs/dbraw/zinc/57/61/04/847576104.db2.gz YPYUTKNLEHBMMW-KRWDZBQOSA-N 1 1 381.476 3.828 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CCC[C@@H]3OCc3ccccc3)o2)cc1 ZINC000503515904 847763259 /nfs/dbraw/zinc/76/32/59/847763259.db2.gz IXLMHORPBNCIMM-OALUTQOASA-N 1 1 394.431 3.872 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000176705725 847823215 /nfs/dbraw/zinc/82/32/15/847823215.db2.gz AZSQTKMYBWCDID-UHFFFAOYSA-N 1 1 389.402 3.530 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000176705725 847823225 /nfs/dbraw/zinc/82/32/25/847823225.db2.gz AZSQTKMYBWCDID-UHFFFAOYSA-N 1 1 389.402 3.530 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611700143 848017446 /nfs/dbraw/zinc/01/74/46/848017446.db2.gz DZRMPIJVRHVIRR-UHFFFAOYSA-N 1 1 377.448 3.559 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000480011500 848027457 /nfs/dbraw/zinc/02/74/57/848027457.db2.gz IMEXUMPWXXCJDD-WBVHZDCISA-N 1 1 377.485 3.736 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709261 848066837 /nfs/dbraw/zinc/06/68/37/848066837.db2.gz SEJXIWWNNZLOMJ-HNAYVOBHSA-N 1 1 377.448 3.861 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000509158722 861881473 /nfs/dbraw/zinc/88/14/73/861881473.db2.gz XKGRHYIEKHPDRG-XOBRGWDASA-N 1 1 375.419 3.873 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000303957504 861898015 /nfs/dbraw/zinc/89/80/15/861898015.db2.gz LCXHSENZRVIRCZ-HDICACEKSA-N 1 1 395.503 3.932 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[C@H]1c1ccccc1 ZINC000247964203 849081900 /nfs/dbraw/zinc/08/19/00/849081900.db2.gz DJSHWPYPWKWRFF-TZIWHRDSSA-N 1 1 394.475 3.714 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@@H]1CO ZINC000443848513 862031684 /nfs/dbraw/zinc/03/16/84/862031684.db2.gz AFZJAYGLZPZFFY-BDJLRTHQSA-N 1 1 395.253 3.820 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600472098 862041177 /nfs/dbraw/zinc/04/11/77/862041177.db2.gz MNPUXGHSIFWZEW-MRXNPFEDSA-N 1 1 377.510 3.844 20 5 GHBDMO COCC[N@@H+](C)CC[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000505560917 849859370 /nfs/dbraw/zinc/85/93/70/849859370.db2.gz YWEDQIKCDLHPKG-OAQYLSRUSA-N 1 1 394.475 3.686 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000439680841 850281964 /nfs/dbraw/zinc/28/19/64/850281964.db2.gz MKSXWNZDKDIUGK-CQSZACIVSA-N 1 1 387.402 3.854 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000486985172 850315326 /nfs/dbraw/zinc/31/53/26/850315326.db2.gz UQBDZOXCFHQUNK-YJBOKZPZSA-N 1 1 394.475 3.802 20 5 GHBDMO C[C@H]1C[C@H](C[NH3+])CN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435374818 850421792 /nfs/dbraw/zinc/42/17/92/850421792.db2.gz YSJPSFPVNYTJNK-DLBZAZTESA-N 1 1 391.475 3.617 20 5 GHBDMO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435374821 850422159 /nfs/dbraw/zinc/42/21/59/850422159.db2.gz YSJPSFPVNYTJNK-SJORKVTESA-N 1 1 391.475 3.617 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000174618040 850538428 /nfs/dbraw/zinc/53/84/28/850538428.db2.gz QVDBCPYCOLAGAS-GFCCVEGCSA-N 1 1 377.828 3.975 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000174618040 850538435 /nfs/dbraw/zinc/53/84/35/850538435.db2.gz QVDBCPYCOLAGAS-GFCCVEGCSA-N 1 1 377.828 3.975 20 5 GHBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426580244 850854949 /nfs/dbraw/zinc/85/49/49/850854949.db2.gz PXCYWKCEWAFSJZ-INIZCTEOSA-N 1 1 385.464 3.540 20 5 GHBDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000515422385 851004525 /nfs/dbraw/zinc/00/45/25/851004525.db2.gz UKFBJBFFDVNRTM-IAGOWNOFSA-N 1 1 390.528 3.537 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425425353 851016889 /nfs/dbraw/zinc/01/68/89/851016889.db2.gz YGKDXRYRDSGNBC-CQSZACIVSA-N 1 1 382.302 3.521 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000506837219 851127434 /nfs/dbraw/zinc/12/74/34/851127434.db2.gz YJEJXGLQHOWEBT-UHFFFAOYSA-N 1 1 375.400 3.592 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000506837219 851127438 /nfs/dbraw/zinc/12/74/38/851127438.db2.gz YJEJXGLQHOWEBT-UHFFFAOYSA-N 1 1 375.400 3.592 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000604475237 862218173 /nfs/dbraw/zinc/21/81/73/862218173.db2.gz RQOUOUADJUIAEJ-KRWDZBQOSA-N 1 1 398.463 3.637 20 5 GHBDMO CO[C@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000514085501 851222528 /nfs/dbraw/zinc/22/25/28/851222528.db2.gz XJDCIQIUWISIKQ-DOTOQJQBSA-N 1 1 376.844 3.517 20 5 GHBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1csc2ccccc12 ZINC000052805795 851373360 /nfs/dbraw/zinc/37/33/60/851373360.db2.gz OJYGWPPAULWPML-UHFFFAOYSA-N 1 1 399.428 3.609 20 5 GHBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1csc2ccccc12 ZINC000052805795 851373370 /nfs/dbraw/zinc/37/33/70/851373370.db2.gz OJYGWPPAULWPML-UHFFFAOYSA-N 1 1 399.428 3.609 20 5 GHBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCN2C2CCCCC2)n1 ZINC000436287981 851421700 /nfs/dbraw/zinc/42/17/00/851421700.db2.gz DKEBMRHDZIOESR-IPMKNSEASA-N 1 1 375.517 3.662 20 5 GHBDMO COc1cc(C[N@H+]2CCSC(C)(C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000434704390 851494526 /nfs/dbraw/zinc/49/45/26/851494526.db2.gz DPVQRHJVHSLTOC-UHFFFAOYSA-N 1 1 390.452 3.965 20 5 GHBDMO COc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1[N+](=O)[O-] ZINC000120801942 851499708 /nfs/dbraw/zinc/49/97/08/851499708.db2.gz JDDYTIATYONBKI-UHFFFAOYSA-N 1 1 378.375 3.925 20 5 GHBDMO CCNC(=O)C1(C[NH2+][C@@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000488465459 851533078 /nfs/dbraw/zinc/53/30/78/851533078.db2.gz OHRVNUGUFWKWSJ-LJQANCHMSA-N 1 1 385.464 3.736 20 5 GHBDMO CC[N@H+](CCOC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000488757726 851743435 /nfs/dbraw/zinc/74/34/35/851743435.db2.gz GQZAILDYEKILII-GOSISDBHSA-N 1 1 391.855 3.896 20 5 GHBDMO CC[N@@H+](CCOC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000488757726 851743443 /nfs/dbraw/zinc/74/34/43/851743443.db2.gz GQZAILDYEKILII-GOSISDBHSA-N 1 1 391.855 3.896 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505832023 851956682 /nfs/dbraw/zinc/95/66/82/851956682.db2.gz KYWHKJQGAMDBAD-KRWDZBQOSA-N 1 1 383.448 3.633 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000505855242 852140323 /nfs/dbraw/zinc/14/03/23/852140323.db2.gz BPDFRPONBZALOE-IRXDYDNUSA-N 1 1 383.448 3.631 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000505855242 852140330 /nfs/dbraw/zinc/14/03/30/852140330.db2.gz BPDFRPONBZALOE-IRXDYDNUSA-N 1 1 383.448 3.631 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000426012939 852408492 /nfs/dbraw/zinc/40/84/92/852408492.db2.gz JXAGNSRIYAXKLY-INIZCTEOSA-N 1 1 388.512 3.779 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000489578635 852450290 /nfs/dbraw/zinc/45/02/90/852450290.db2.gz BJYRCRBLKOUPEN-AEFFLSMTSA-N 1 1 396.491 3.792 20 5 GHBDMO COc1ccc2cc(C[N@H+](C)CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000029071306 852483731 /nfs/dbraw/zinc/48/37/31/852483731.db2.gz ZQIWLXWYWAYACY-UHFFFAOYSA-N 1 1 393.443 3.851 20 5 GHBDMO COc1ccc2cc(C[N@@H+](C)CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000029071306 852483736 /nfs/dbraw/zinc/48/37/36/852483736.db2.gz ZQIWLXWYWAYACY-UHFFFAOYSA-N 1 1 393.443 3.851 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000489702452 852535285 /nfs/dbraw/zinc/53/52/85/852535285.db2.gz CCQMBOOFYMYRMH-NSHDSACASA-N 1 1 386.349 3.866 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000489702452 852535289 /nfs/dbraw/zinc/53/52/89/852535289.db2.gz CCQMBOOFYMYRMH-NSHDSACASA-N 1 1 386.349 3.866 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000489931085 852652459 /nfs/dbraw/zinc/65/24/59/852652459.db2.gz PMTSYQQZMRRTAU-MJGOQNOKSA-N 1 1 382.464 3.575 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466569807 862383553 /nfs/dbraw/zinc/38/35/53/862383553.db2.gz KCPDBHLJYJVJHL-CYBMUJFWSA-N 1 1 382.892 3.558 20 5 GHBDMO COc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000489982176 852705385 /nfs/dbraw/zinc/70/53/85/852705385.db2.gz XRCASUCVYGRXNP-SFHVURJKSA-N 1 1 398.463 3.780 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000489982176 852705388 /nfs/dbraw/zinc/70/53/88/852705388.db2.gz XRCASUCVYGRXNP-SFHVURJKSA-N 1 1 398.463 3.780 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000427373258 853017323 /nfs/dbraw/zinc/01/73/23/853017323.db2.gz WMTLGZJZXQYLEU-ZDUSSCGKSA-N 1 1 380.404 3.589 20 5 GHBDMO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000437853927 853606074 /nfs/dbraw/zinc/60/60/74/853606074.db2.gz TYLRSFCIEYLCCR-WMLDXEAASA-N 1 1 377.460 3.751 20 5 GHBDMO CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760654993 853630558 /nfs/dbraw/zinc/63/05/58/853630558.db2.gz HPACXDGJULGTLV-INIZCTEOSA-N 1 1 387.867 3.985 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000055102960 853645795 /nfs/dbraw/zinc/64/57/95/853645795.db2.gz FHPZUZZLSDHUFU-UHFFFAOYSA-N 1 1 399.447 3.517 20 5 GHBDMO C[C@@H]1[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000441301596 854068897 /nfs/dbraw/zinc/06/88/97/854068897.db2.gz HQIHWLSXYQYASA-ZBFHGGJFSA-N 1 1 385.489 3.959 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC001126499036 854097433 /nfs/dbraw/zinc/09/74/33/854097433.db2.gz XNNXLGMTHFPJAT-GOSISDBHSA-N 1 1 385.439 3.951 20 5 GHBDMO C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374096 854713306 /nfs/dbraw/zinc/71/33/06/854713306.db2.gz NUNAKUREVRAHPV-ZIAGYGMSSA-N 1 1 387.461 3.637 20 5 GHBDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374096 854713315 /nfs/dbraw/zinc/71/33/15/854713315.db2.gz NUNAKUREVRAHPV-ZIAGYGMSSA-N 1 1 387.461 3.637 20 5 GHBDMO COc1ccccc1C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000165411903 855027355 /nfs/dbraw/zinc/02/73/55/855027355.db2.gz FWAIXCZLAUKYDH-UHFFFAOYSA-N 1 1 383.448 3.905 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C[C@H](C)O1 ZINC000301517233 855189620 /nfs/dbraw/zinc/18/96/20/855189620.db2.gz CDDMDDCDACUDML-CALCHBBNSA-N 1 1 398.507 3.859 20 5 GHBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590135845 855310135 /nfs/dbraw/zinc/31/01/35/855310135.db2.gz YZCXVWOGJKJMAU-CYBMUJFWSA-N 1 1 386.418 3.502 20 5 GHBDMO Cc1cc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590135845 855310138 /nfs/dbraw/zinc/31/01/38/855310138.db2.gz YZCXVWOGJKJMAU-CYBMUJFWSA-N 1 1 386.418 3.502 20 5 GHBDMO COc1ccc(OCC[N@@H+]2Cc3ccc(OC)cc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000573047918 855703666 /nfs/dbraw/zinc/70/36/66/855703666.db2.gz FCTACGFCPVJCJA-UHFFFAOYSA-N 1 1 384.432 3.538 20 5 GHBDMO COc1ccc(OCC[N@H+]2Cc3ccc(OC)cc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000573047918 855703674 /nfs/dbraw/zinc/70/36/74/855703674.db2.gz FCTACGFCPVJCJA-UHFFFAOYSA-N 1 1 384.432 3.538 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000591015000 855722490 /nfs/dbraw/zinc/72/24/90/855722490.db2.gz ALHVMRWPTNFWND-CYBMUJFWSA-N 1 1 387.411 3.690 20 5 GHBDMO COc1ccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000058950236 862721224 /nfs/dbraw/zinc/72/12/24/862721224.db2.gz KCHSSRWMLCQWAT-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO COCCC[NH+]1CCC(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000237208352 855848987 /nfs/dbraw/zinc/84/89/87/855848987.db2.gz PFXAGDZEQJUFKX-UHFFFAOYSA-N 1 1 389.521 3.914 20 5 GHBDMO Cc1c(C[N@H+](CCO)Cc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000485122869 856136884 /nfs/dbraw/zinc/13/68/84/856136884.db2.gz SGIQJLDMHOKTJO-UHFFFAOYSA-N 1 1 385.283 3.722 20 5 GHBDMO Cc1c(C[N@@H+](CCO)Cc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000485122869 856136888 /nfs/dbraw/zinc/13/68/88/856136888.db2.gz SGIQJLDMHOKTJO-UHFFFAOYSA-N 1 1 385.283 3.722 20 5 GHBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000485140152 856151452 /nfs/dbraw/zinc/15/14/52/856151452.db2.gz HFAOPJKIBNOVDM-LBPRGKRZSA-N 1 1 393.285 3.684 20 5 GHBDMO CC(C)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000126876984 856335447 /nfs/dbraw/zinc/33/54/47/856335447.db2.gz LTISXBGPZXPKBI-UYAOXDASSA-N 1 1 399.491 3.765 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1csc([N+](=O)[O-])c1 ZINC000172230599 856375006 /nfs/dbraw/zinc/37/50/06/856375006.db2.gz RTZQFFATOSOPBP-AWEZNQCLSA-N 1 1 399.394 3.679 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1csc([N+](=O)[O-])c1 ZINC000172230599 856375010 /nfs/dbraw/zinc/37/50/10/856375010.db2.gz RTZQFFATOSOPBP-AWEZNQCLSA-N 1 1 399.394 3.679 20 5 GHBDMO O=C(NC1CC1)c1ccc(C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000046054617 856451716 /nfs/dbraw/zinc/45/17/16/856451716.db2.gz PKPKDZRVKBQKMS-UHFFFAOYSA-N 1 1 395.459 3.530 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCCC[C@H]3O)o2)cc1 ZINC000281028062 862811100 /nfs/dbraw/zinc/81/11/00/862811100.db2.gz OXNLOXRNMAHDCW-RCCFBDPRSA-N 1 1 386.452 3.550 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000554908302 856620727 /nfs/dbraw/zinc/62/07/27/856620727.db2.gz LUNMQGJIHRWDOD-INIZCTEOSA-N 1 1 385.464 3.634 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)cc1OC ZINC000542915787 856784774 /nfs/dbraw/zinc/78/47/74/856784774.db2.gz OOOKLXCCYBRIBM-RLFYNMQTSA-N 1 1 380.485 3.621 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245384913 856813265 /nfs/dbraw/zinc/81/32/65/856813265.db2.gz YXOSYHQYQCSBLT-WMLDXEAASA-N 1 1 379.420 3.892 20 5 GHBDMO CC(C)N(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592693953 857027099 /nfs/dbraw/zinc/02/70/99/857027099.db2.gz DQKUERLFLYSIAD-OAQYLSRUSA-N 1 1 381.476 3.649 20 5 GHBDMO COc1c(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000592694611 857029289 /nfs/dbraw/zinc/02/92/89/857029289.db2.gz JEQWWBJBCHGWHN-GOSISDBHSA-N 1 1 397.475 3.729 20 5 GHBDMO CCOc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000173701377 857092362 /nfs/dbraw/zinc/09/23/62/857092362.db2.gz QECHIZMAEFTZRP-IBGZPJMESA-N 1 1 397.475 3.730 20 5 GHBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000508259374 857115148 /nfs/dbraw/zinc/11/51/48/857115148.db2.gz NBECQYUYUZGYOG-UHFFFAOYSA-N 1 1 391.309 3.755 20 5 GHBDMO Cc1c(CC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000245900961 857192296 /nfs/dbraw/zinc/19/22/96/857192296.db2.gz AZJKLEIQTGKISG-DTVZVWBHSA-N 1 1 395.503 3.719 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)co2)cc1 ZINC000245984525 857210197 /nfs/dbraw/zinc/21/01/97/857210197.db2.gz VYYXDYOOJJNXJN-ROUUACIJSA-N 1 1 389.477 3.736 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)co2)cc1 ZINC000245984525 857210203 /nfs/dbraw/zinc/21/02/03/857210203.db2.gz VYYXDYOOJJNXJN-ROUUACIJSA-N 1 1 389.477 3.736 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000246257786 857327378 /nfs/dbraw/zinc/32/73/78/857327378.db2.gz XWICUVJSASRNAP-ZFWWWQNUSA-N 1 1 387.427 3.745 20 5 GHBDMO CC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000246332036 857350996 /nfs/dbraw/zinc/35/09/96/857350996.db2.gz CXNHQVKJJHHUKI-VDGAXYAQSA-N 1 1 386.496 3.704 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cccnc3-n3cccn3)cs2)c1 ZINC000113320446 857424846 /nfs/dbraw/zinc/42/48/46/857424846.db2.gz ZAABHDPODJCYFC-UHFFFAOYSA-N 1 1 392.444 3.589 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000255236709 857610901 /nfs/dbraw/zinc/61/09/01/857610901.db2.gz LMSLTNKXDHLWOA-RYKGSNAESA-N 1 1 379.460 3.750 20 5 GHBDMO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301794929 857767918 /nfs/dbraw/zinc/76/79/18/857767918.db2.gz SLSBGQUCBHISAV-FXAWDEMLSA-N 1 1 393.491 3.813 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000058975696 857840654 /nfs/dbraw/zinc/84/06/54/857840654.db2.gz ZYJDLEPSHFZNDN-SFHVURJKSA-N 1 1 397.475 3.948 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000158061816 858157312 /nfs/dbraw/zinc/15/73/12/858157312.db2.gz CFTXHAHYIFSMMI-INIZCTEOSA-N 1 1 383.448 3.730 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)nc1-c1ccccc1 ZINC000301845992 858186004 /nfs/dbraw/zinc/18/60/04/858186004.db2.gz AIXPIAICVNQMQK-UHFFFAOYSA-N 1 1 390.443 3.685 20 5 GHBDMO C[C@@H](O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000594614778 858241453 /nfs/dbraw/zinc/24/14/53/858241453.db2.gz KGJBCKYYUASHPB-LLVKDONJSA-N 1 1 395.253 3.963 20 5 GHBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000066885551 858336028 /nfs/dbraw/zinc/33/60/28/858336028.db2.gz UXTZBNVUKDPWRN-MRXNPFEDSA-N 1 1 385.464 3.519 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(-n2nc(C)cc2C)nc1 ZINC000595010194 858349547 /nfs/dbraw/zinc/34/95/47/858349547.db2.gz IPUXMBMDPSPLFN-OAHLLOKOSA-N 1 1 381.436 3.652 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000595019533 858352319 /nfs/dbraw/zinc/35/23/19/858352319.db2.gz QOCJOHOKOJSENK-KRWDZBQOSA-N 1 1 399.491 3.929 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000595003860 858363497 /nfs/dbraw/zinc/36/34/97/858363497.db2.gz LOMAVKDGBJKBLE-UTKZUKDTSA-N 1 1 399.491 3.636 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCc1nccs1)C(C)C ZINC000159826634 863023435 /nfs/dbraw/zinc/02/34/35/863023435.db2.gz LVQRAUAEJIZDCR-UHFFFAOYSA-N 1 1 376.482 3.641 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000595295934 858454406 /nfs/dbraw/zinc/45/44/06/858454406.db2.gz HTOPWNQQXBMYDT-INIZCTEOSA-N 1 1 385.489 3.534 20 5 GHBDMO COc1ccc(CC[C@H]2CCCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595309569 858468236 /nfs/dbraw/zinc/46/82/36/858468236.db2.gz WVRCFWMTYMYUND-MRXNPFEDSA-N 1 1 389.452 3.896 20 5 GHBDMO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1cccnc1 ZINC000595502584 858546731 /nfs/dbraw/zinc/54/67/31/858546731.db2.gz ZUCCKQIUHMLMBE-INIZCTEOSA-N 1 1 394.269 3.602 20 5 GHBDMO CCC[N@H+]1Cc2cccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000067453079 858574819 /nfs/dbraw/zinc/57/48/19/858574819.db2.gz BCYCSEAEZOGFGX-FQEVSTJZSA-N 1 1 380.448 3.538 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000595764471 858663158 /nfs/dbraw/zinc/66/31/58/858663158.db2.gz JGOFLBGAZTXWNN-OAQYLSRUSA-N 1 1 394.431 3.817 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000543157949 858668369 /nfs/dbraw/zinc/66/83/69/858668369.db2.gz GYMMDLKKVRVBRO-UHFFFAOYSA-N 1 1 387.505 3.714 20 5 GHBDMO CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000250086588 858686292 /nfs/dbraw/zinc/68/62/92/858686292.db2.gz VUVIPCRGLSAYRK-YLJYHZDGSA-N 1 1 381.476 3.821 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595786961 858688105 /nfs/dbraw/zinc/68/81/05/858688105.db2.gz DIVUKACZQFPSFL-FCEWJHQRSA-N 1 1 375.469 3.511 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000463951614 858693101 /nfs/dbraw/zinc/69/31/01/858693101.db2.gz PBEZFMBDDSGMQT-APWZRJJASA-N 1 1 382.464 3.854 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC3CC2(c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000595911541 858715581 /nfs/dbraw/zinc/71/55/81/858715581.db2.gz ORPLHDMYPPDVEM-UHFFFAOYSA-N 1 1 381.432 3.553 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)s1 ZINC000595914673 858717653 /nfs/dbraw/zinc/71/76/53/858717653.db2.gz NVDZBUGPXNQXCS-GFCCVEGCSA-N 1 1 395.868 3.871 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)s1 ZINC000595914673 858717659 /nfs/dbraw/zinc/71/76/59/858717659.db2.gz NVDZBUGPXNQXCS-GFCCVEGCSA-N 1 1 395.868 3.871 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596079962 858775748 /nfs/dbraw/zinc/77/57/48/858775748.db2.gz BLJBBOXSHUBDIU-IYBDPMFKSA-N 1 1 396.491 3.784 20 5 GHBDMO Cc1cc(N2CCC([N@H+]3CCCOCC3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596267960 858831621 /nfs/dbraw/zinc/83/16/21/858831621.db2.gz DRJQHJOKHXLQHQ-UHFFFAOYSA-N 1 1 387.402 3.613 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000060090382 858847272 /nfs/dbraw/zinc/84/72/72/858847272.db2.gz RNZWHVYEZFKBOA-GOSISDBHSA-N 1 1 387.436 3.506 20 5 GHBDMO CC(C)Oc1ccc(CCNC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429261112 858855150 /nfs/dbraw/zinc/85/51/50/858855150.db2.gz PKTITGFHBLDIAO-UHFFFAOYSA-N 1 1 399.491 3.566 20 5 GHBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000190490766 858864946 /nfs/dbraw/zinc/86/49/46/858864946.db2.gz HZWFCKBJJINVMM-CQSZACIVSA-N 1 1 396.447 3.934 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000596633790 858989812 /nfs/dbraw/zinc/98/98/12/858989812.db2.gz BVMLCAXMHNYPRQ-IBGZPJMESA-N 1 1 382.464 3.684 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000543247390 859032611 /nfs/dbraw/zinc/03/26/11/859032611.db2.gz XKDLIEMLKDSHQY-INIZCTEOSA-N 1 1 383.448 3.648 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000543247390 859032621 /nfs/dbraw/zinc/03/26/21/859032621.db2.gz XKDLIEMLKDSHQY-INIZCTEOSA-N 1 1 383.448 3.648 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001170334527 881379069 /nfs/dbraw/zinc/37/90/69/881379069.db2.gz GFFOCCBUHKUCEL-VMRPVKRXSA-N 1 1 398.459 3.771 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596955484 859193372 /nfs/dbraw/zinc/19/33/72/859193372.db2.gz RALBZJUWURWKHJ-OAQYLSRUSA-N 1 1 394.475 3.543 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])c1 ZINC001170354314 881396299 /nfs/dbraw/zinc/39/62/99/881396299.db2.gz IOKQRBXKHYNJDS-INIZCTEOSA-N 1 1 380.448 3.852 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095315 859273769 /nfs/dbraw/zinc/27/37/69/859273769.db2.gz SBLATOLUVHOSFI-GFCCVEGCSA-N 1 1 383.880 3.607 20 5 GHBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000597181483 859340131 /nfs/dbraw/zinc/34/01/31/859340131.db2.gz HJHSCPUJFZILPZ-KOHOMEMWSA-N 1 1 386.370 3.672 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597209908 859348597 /nfs/dbraw/zinc/34/85/97/859348597.db2.gz FMUVEUUDJYGHNU-PGRDOPGGSA-N 1 1 398.459 3.651 20 5 GHBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000483415190 859348901 /nfs/dbraw/zinc/34/89/01/859348901.db2.gz VXVSSYBQCKBNEI-FQEVSTJZSA-N 1 1 382.395 3.948 20 5 GHBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000597204656 859359719 /nfs/dbraw/zinc/35/97/19/859359719.db2.gz CEZYVLYTRAXCRB-YJBOKZPZSA-N 1 1 399.422 3.627 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000483487754 859394654 /nfs/dbraw/zinc/39/46/54/859394654.db2.gz HSWDUXDCNVVYFM-UHFFFAOYSA-N 1 1 385.283 3.722 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000483487754 859394658 /nfs/dbraw/zinc/39/46/58/859394658.db2.gz HSWDUXDCNVVYFM-UHFFFAOYSA-N 1 1 385.283 3.722 20 5 GHBDMO C[N@H+](CCOc1ccc(Cl)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000069286955 859430055 /nfs/dbraw/zinc/43/00/55/859430055.db2.gz JMEUEHNMVPBEAX-UHFFFAOYSA-N 1 1 378.812 3.626 20 5 GHBDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000069286955 859430062 /nfs/dbraw/zinc/43/00/62/859430062.db2.gz JMEUEHNMVPBEAX-UHFFFAOYSA-N 1 1 378.812 3.626 20 5 GHBDMO O=C(C[NH+]1CCC2(CC2)CC1)Nc1cc(N2CCC3(CC3)CC2)ccc1[N+](=O)[O-] ZINC000611177627 859636772 /nfs/dbraw/zinc/63/67/72/859636772.db2.gz OZGSFNBFNHANDH-UHFFFAOYSA-N 1 1 398.507 3.790 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611204812 859650160 /nfs/dbraw/zinc/65/01/60/859650160.db2.gz IFILOBICHQDINJ-ROUUACIJSA-N 1 1 389.521 3.986 20 5 GHBDMO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252182 859663673 /nfs/dbraw/zinc/66/36/73/859663673.db2.gz BPLLBFJFLBFAJZ-UHFFFAOYSA-N 1 1 380.347 3.599 20 5 GHBDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252182 859663678 /nfs/dbraw/zinc/66/36/78/859663678.db2.gz BPLLBFJFLBFAJZ-UHFFFAOYSA-N 1 1 380.347 3.599 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[N@@H+](C[C@H]4CCCO4)CC3)o2)c1 ZINC000611254069 859664990 /nfs/dbraw/zinc/66/49/90/859664990.db2.gz MQVUEDVSLHNYIL-LJQANCHMSA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCCN(C[C@H]4CCCO4)CC3)o2)c1 ZINC000611254069 859664996 /nfs/dbraw/zinc/66/49/96/859664996.db2.gz MQVUEDVSLHNYIL-LJQANCHMSA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCCN(C[C@H]4CCCO4)CC3)o2)c1 ZINC000611254069 859665001 /nfs/dbraw/zinc/66/50/01/859665001.db2.gz MQVUEDVSLHNYIL-LJQANCHMSA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](OCCCc3ccccc3)C1)OCCO2 ZINC000611276020 859678037 /nfs/dbraw/zinc/67/80/37/859678037.db2.gz ZGQIDJAGBFJLRN-IBGZPJMESA-N 1 1 398.459 3.590 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](OCCCc3ccccc3)C1)OCCO2 ZINC000611276020 859678043 /nfs/dbraw/zinc/67/80/43/859678043.db2.gz ZGQIDJAGBFJLRN-IBGZPJMESA-N 1 1 398.459 3.590 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000602019573 859705756 /nfs/dbraw/zinc/70/57/56/859705756.db2.gz HAWNJIUHOFPTDE-OXQOHEQNSA-N 1 1 377.448 3.607 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000484006489 859749688 /nfs/dbraw/zinc/74/96/88/859749688.db2.gz LECOYMHITLBGIU-CYBMUJFWSA-N 1 1 386.427 3.943 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)c([N+](=O)[O-])cc1O ZINC000611429565 859753140 /nfs/dbraw/zinc/75/31/40/859753140.db2.gz QLNCVAOXQXKKEX-UHFFFAOYSA-N 1 1 381.388 3.786 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170345745 881469235 /nfs/dbraw/zinc/46/92/35/881469235.db2.gz LKHMIKLGESYLAI-GOEBONIOSA-N 1 1 378.469 3.588 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)nccc2NCc1ccccc1C[NH+]1CCOCC1 ZINC000593455874 859863272 /nfs/dbraw/zinc/86/32/72/859863272.db2.gz XMBJBEKUPCGQIO-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000185307267 859897684 /nfs/dbraw/zinc/89/76/84/859897684.db2.gz NDBRVEQQUXBZBN-CYBMUJFWSA-N 1 1 375.375 3.691 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154173431 860011721 /nfs/dbraw/zinc/01/17/21/860011721.db2.gz LWRMAJUXDHEHOM-OAQYLSRUSA-N 1 1 395.503 3.898 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598219428 860164218 /nfs/dbraw/zinc/16/42/18/860164218.db2.gz LTGRCSVDIPGBNC-ZDUSSCGKSA-N 1 1 385.386 3.750 20 5 GHBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000598341394 860232205 /nfs/dbraw/zinc/23/22/05/860232205.db2.gz APRNSEPHNASUEQ-HNNXBMFYSA-N 1 1 385.489 3.960 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccncc1)C1(CO)CCC1 ZINC000602901806 860352976 /nfs/dbraw/zinc/35/29/76/860352976.db2.gz IUDFCVWQMAPQRW-FQEVSTJZSA-N 1 1 385.464 3.771 20 5 GHBDMO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000139787251 860437457 /nfs/dbraw/zinc/43/74/57/860437457.db2.gz GIUBSGCNCOONMS-CYBMUJFWSA-N 1 1 396.369 3.772 20 5 GHBDMO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000499999445 860444034 /nfs/dbraw/zinc/44/40/34/860444034.db2.gz CVIGMYWRKUBIQZ-UTKZUKDTSA-N 1 1 381.476 3.821 20 5 GHBDMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000130765001 860470536 /nfs/dbraw/zinc/47/05/36/860470536.db2.gz JWKNMILJEFSYOT-HKUYNNGSSA-N 1 1 392.477 3.642 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000130765001 860470543 /nfs/dbraw/zinc/47/05/43/860470543.db2.gz JWKNMILJEFSYOT-HKUYNNGSSA-N 1 1 392.477 3.642 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000155334663 860483271 /nfs/dbraw/zinc/48/32/71/860483271.db2.gz SLJONJHJNONGBW-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000896226714 860554656 /nfs/dbraw/zinc/55/46/56/860554656.db2.gz HZDBVZSJLIXQRR-MRXNPFEDSA-N 1 1 398.360 3.862 20 5 GHBDMO CC(=O)c1ccc(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000025570993 860637830 /nfs/dbraw/zinc/63/78/30/860637830.db2.gz BFLBMCOGMMMXEP-JOCHJYFZSA-N 1 1 396.491 3.588 20 5 GHBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000544369152 860736653 /nfs/dbraw/zinc/73/66/53/860736653.db2.gz ZKNWOIWIABLIDE-CYBMUJFWSA-N 1 1 376.409 3.637 20 5 GHBDMO COc1ncc(Br)cc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000599071745 860778004 /nfs/dbraw/zinc/77/80/04/860778004.db2.gz ZIQIVTSEUDYJCS-NSHDSACASA-N 1 1 380.242 3.920 20 5 GHBDMO CNC(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000555462002 860955608 /nfs/dbraw/zinc/95/56/08/860955608.db2.gz BBLMNCFDQCQSQH-MRXNPFEDSA-N 1 1 381.354 3.581 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000481327024 861069485 /nfs/dbraw/zinc/06/94/85/861069485.db2.gz XZQVLUALPBPVLX-OALUTQOASA-N 1 1 381.432 3.744 20 5 GHBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000522709217 863118525 /nfs/dbraw/zinc/11/85/25/863118525.db2.gz AXFKQGMVUKHQRN-HNNXBMFYSA-N 1 1 384.436 3.850 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000159937866 863193107 /nfs/dbraw/zinc/19/31/07/863193107.db2.gz GOVSCHAFMDTVDH-CYBMUJFWSA-N 1 1 398.301 3.599 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444110503 863442315 /nfs/dbraw/zinc/44/23/15/863442315.db2.gz QOZIXNMAFWSTTH-AWEZNQCLSA-N 1 1 399.441 3.516 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2sccn2c1[N+](=O)[O-] ZINC000439710168 863562174 /nfs/dbraw/zinc/56/21/74/863562174.db2.gz SQQXAADSGGSUBB-MRXNPFEDSA-N 1 1 385.493 3.652 20 5 GHBDMO COc1cccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000444299288 863836033 /nfs/dbraw/zinc/83/60/33/863836033.db2.gz UMVDSHQZBMAWEN-OAHLLOKOSA-N 1 1 399.447 3.576 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+](CCc2cccc(F)c2)C2CC2)nc1-c1ccncc1 ZINC000172903892 864103762 /nfs/dbraw/zinc/10/37/62/864103762.db2.gz RPIMUMWGONYOFL-UHFFFAOYSA-N 1 1 381.411 3.657 20 5 GHBDMO CNc1ccc(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000734299571 864133528 /nfs/dbraw/zinc/13/35/28/864133528.db2.gz OUKUQVIUBSEHPS-KRWDZBQOSA-N 1 1 383.448 3.706 20 5 GHBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n1)OC2 ZINC000520458243 881794296 /nfs/dbraw/zinc/79/42/96/881794296.db2.gz NKSDMZDCQPCZBK-XJKSGUPXSA-N 1 1 398.341 3.589 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475288231 864719324 /nfs/dbraw/zinc/71/93/24/864719324.db2.gz XVPWWGJCXXSQHJ-FXAWDEMLSA-N 1 1 396.491 3.880 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475306951 864746190 /nfs/dbraw/zinc/74/61/90/864746190.db2.gz WUCMFCKRTWNLRV-APWZRJJASA-N 1 1 399.516 3.808 20 5 GHBDMO COc1cccc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000475348546 864825292 /nfs/dbraw/zinc/82/52/92/864825292.db2.gz DAZDVECFNFJODN-IYBDPMFKSA-N 1 1 385.464 3.825 20 5 GHBDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000173512321 864842073 /nfs/dbraw/zinc/84/20/73/864842073.db2.gz JAJHGGBGDTYNAY-UHFFFAOYSA-N 1 1 394.479 3.536 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)cc1[N+](=O)[O-] ZINC000532331125 881807808 /nfs/dbraw/zinc/80/78/08/881807808.db2.gz UKDVJHKOJZVNNJ-KRWDZBQOSA-N 1 1 377.448 3.733 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792915682 881809678 /nfs/dbraw/zinc/80/96/78/881809678.db2.gz ZDOREJHDAVQBFX-GOEBONIOSA-N 1 1 386.279 3.748 20 5 GHBDMO C[C@H](O)CC[N@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000173562422 864878932 /nfs/dbraw/zinc/87/89/32/864878932.db2.gz XMQCXQMCMLQMQX-UGSOOPFHSA-N 1 1 391.855 3.631 20 5 GHBDMO C[C@H](O)CC[N@@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000173562422 864878934 /nfs/dbraw/zinc/87/89/34/864878934.db2.gz XMQCXQMCMLQMQX-UGSOOPFHSA-N 1 1 391.855 3.631 20 5 GHBDMO Cn1ccnc1COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000554847110 865035633 /nfs/dbraw/zinc/03/56/33/865035633.db2.gz QOMYDWFRPGVFLO-UHFFFAOYSA-N 1 1 380.448 3.582 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000737934818 865456620 /nfs/dbraw/zinc/45/66/20/865456620.db2.gz OJMVJVDOGDLWNU-BJMVGYQFSA-N 1 1 385.489 3.576 20 5 GHBDMO CN1CCC([NH2+]Cc2cc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)no2)CC1 ZINC000899258085 865613862 /nfs/dbraw/zinc/61/38/62/865613862.db2.gz CCBHJBYURRRVFV-UHFFFAOYSA-N 1 1 382.420 3.694 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000608866599 865766549 /nfs/dbraw/zinc/76/65/49/865766549.db2.gz CIIGRVVJDSIRCI-ZDUSSCGKSA-N 1 1 380.404 3.512 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000481230416 866065610 /nfs/dbraw/zinc/06/56/10/866065610.db2.gz OREOETPZHJUNQY-WOJBJXKFSA-N 1 1 394.475 3.564 20 5 GHBDMO C[C@H](OC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741017623 866177609 /nfs/dbraw/zinc/17/76/09/866177609.db2.gz CZKZVZSVPBIOIC-CRWXNKLISA-N 1 1 388.424 3.510 20 5 GHBDMO C[C@H](OC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741017623 866177613 /nfs/dbraw/zinc/17/76/13/866177613.db2.gz CZKZVZSVPBIOIC-CRWXNKLISA-N 1 1 388.424 3.510 20 5 GHBDMO CC[N@@H+](Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1)C(C)C ZINC000545779113 866203362 /nfs/dbraw/zinc/20/33/62/866203362.db2.gz NDIVPLPUXNDNAQ-UHFFFAOYSA-N 1 1 381.436 3.861 20 5 GHBDMO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000737414435 866210884 /nfs/dbraw/zinc/21/08/84/866210884.db2.gz YERMTSGNHMSRFI-DOTOQJQBSA-N 1 1 384.436 3.992 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000475545091 866231410 /nfs/dbraw/zinc/23/14/10/866231410.db2.gz DEOJFSUKYDHMLB-FUHWJXTLSA-N 1 1 382.464 3.996 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC[N@H+]2C)cc1 ZINC000741122019 866247049 /nfs/dbraw/zinc/24/70/49/866247049.db2.gz YZZZUGINZSGAMK-OYEFPKDCSA-N 1 1 396.443 3.853 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000475558617 866276981 /nfs/dbraw/zinc/27/69/81/866276981.db2.gz HBUCKPDUVOTZBL-MRXNPFEDSA-N 1 1 386.448 3.956 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000475565600 866318795 /nfs/dbraw/zinc/31/87/95/866318795.db2.gz DRBHIYWCVPNEDL-AWEZNQCLSA-N 1 1 388.493 3.841 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000475565600 866318812 /nfs/dbraw/zinc/31/88/12/866318812.db2.gz DRBHIYWCVPNEDL-AWEZNQCLSA-N 1 1 388.493 3.841 20 5 GHBDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000741245810 866337495 /nfs/dbraw/zinc/33/74/95/866337495.db2.gz JPCDIEMHHOPQMA-HNNXBMFYSA-N 1 1 392.887 3.982 20 5 GHBDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000741245810 866337508 /nfs/dbraw/zinc/33/75/08/866337508.db2.gz JPCDIEMHHOPQMA-HNNXBMFYSA-N 1 1 392.887 3.982 20 5 GHBDMO O=C(OCc1csc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741327946 866409047 /nfs/dbraw/zinc/40/90/47/866409047.db2.gz RDQZAVDTJLNSCV-HNNXBMFYSA-N 1 1 378.425 3.751 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000553060292 866721777 /nfs/dbraw/zinc/72/17/77/866721777.db2.gz GCIGSIIUFBTAAV-OAQYLSRUSA-N 1 1 381.476 3.650 20 5 GHBDMO CC(C)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000741790888 866794534 /nfs/dbraw/zinc/79/45/34/866794534.db2.gz LHVKJKGBWWUMOT-HXUWFJFHSA-N 1 1 376.428 3.804 20 5 GHBDMO CC(C)OC(=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444676375 867052215 /nfs/dbraw/zinc/05/22/15/867052215.db2.gz UNLYVVKCFUFTST-QGZVFWFLSA-N 1 1 382.420 3.644 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)nc1-c1ccncc1 ZINC000742146682 867079705 /nfs/dbraw/zinc/07/97/05/867079705.db2.gz WGMLDRTYWJSHSB-SFHVURJKSA-N 1 1 381.411 3.657 20 5 GHBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000742407405 867274935 /nfs/dbraw/zinc/27/49/35/867274935.db2.gz BZNWSLAMBUARPK-GOSISDBHSA-N 1 1 396.447 3.628 20 5 GHBDMO C[N@@H+](CCCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CC1 ZINC000457163161 867787374 /nfs/dbraw/zinc/78/73/74/867787374.db2.gz GYHXNVYETHSIHO-UHFFFAOYSA-N 1 1 399.441 3.564 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534966141 867841592 /nfs/dbraw/zinc/84/15/92/867841592.db2.gz FKMPUFKMYZMXCG-HOCLYGCPSA-N 1 1 378.432 3.641 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNCc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000479883690 868679086 /nfs/dbraw/zinc/67/90/86/868679086.db2.gz FVPUYQBJIPDOAA-IYBDPMFKSA-N 1 1 387.455 3.633 20 5 GHBDMO C[C@H](CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000445900349 869131094 /nfs/dbraw/zinc/13/10/94/869131094.db2.gz NZLMEZQSLNZRGT-QGZVFWFLSA-N 1 1 396.491 3.573 20 5 GHBDMO C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000130092378 869168627 /nfs/dbraw/zinc/16/86/27/869168627.db2.gz RIDQIWONVHZUDE-LLVKDONJSA-N 1 1 375.226 3.856 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000524645330 869376213 /nfs/dbraw/zinc/37/62/13/869376213.db2.gz NRTFFDDUICVHEJ-SJCJKPOMSA-N 1 1 377.441 3.608 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000446183137 869513485 /nfs/dbraw/zinc/51/34/85/869513485.db2.gz OVWDOOBRYLNUOT-WMLDXEAASA-N 1 1 387.867 3.949 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CCC[N@@H+](Cc4ccccc4)CC3)co2)cc1 ZINC000152877291 869573824 /nfs/dbraw/zinc/57/38/24/869573824.db2.gz UTNUOFIKFGHHJZ-UHFFFAOYSA-N 1 1 392.459 3.958 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000539685845 869598751 /nfs/dbraw/zinc/59/87/51/869598751.db2.gz WEBJFWCIIHQWFV-DLBZAZTESA-N 1 1 377.510 3.844 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000539764960 869744220 /nfs/dbraw/zinc/74/42/20/869744220.db2.gz FHIKRASPZVAODG-QGZVFWFLSA-N 1 1 393.447 3.768 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462623671 869782957 /nfs/dbraw/zinc/78/29/57/869782957.db2.gz VRQZJCUFZUQQEC-IFMALSPDSA-N 1 1 395.503 3.896 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000462628016 869788249 /nfs/dbraw/zinc/78/82/49/869788249.db2.gz PZVOQFARIDKOOH-XLIONFOSSA-N 1 1 383.492 3.800 20 5 GHBDMO COC[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000539827872 869863537 /nfs/dbraw/zinc/86/35/37/869863537.db2.gz LWJKOPGLGMVPFN-GOSISDBHSA-N 1 1 386.448 3.651 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001127240801 870052444 /nfs/dbraw/zinc/05/24/44/870052444.db2.gz CTSAIMHRLYNCNF-GJZGRUSLSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001127240801 870052458 /nfs/dbraw/zinc/05/24/58/870052458.db2.gz CTSAIMHRLYNCNF-GJZGRUSLSA-N 1 1 387.867 3.983 20 5 GHBDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000462873171 870265199 /nfs/dbraw/zinc/26/51/99/870265199.db2.gz WCWDQARKBCPCHO-FQEVSTJZSA-N 1 1 392.459 3.793 20 5 GHBDMO Cc1cc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000746389946 870595821 /nfs/dbraw/zinc/59/58/21/870595821.db2.gz XKDIKZYYRJDDAG-UHFFFAOYSA-N 1 1 396.369 3.519 20 5 GHBDMO COc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C2CCCCC2)cc1OC ZINC000538785789 870647857 /nfs/dbraw/zinc/64/78/57/870647857.db2.gz KLNUWQTVGUPZML-UHFFFAOYSA-N 1 1 388.468 3.643 20 5 GHBDMO COc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000195428173 882431878 /nfs/dbraw/zinc/43/18/78/882431878.db2.gz JYISFSRCNQKPFN-MRXNPFEDSA-N 1 1 397.475 3.765 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000538833952 870711993 /nfs/dbraw/zinc/71/19/93/870711993.db2.gz HVQALRCTOMIPNZ-INIZCTEOSA-N 1 1 387.436 3.544 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1cccs1 ZINC000525572831 870991830 /nfs/dbraw/zinc/99/18/30/870991830.db2.gz HLUDWVYGGNYTGK-IFXJQAMLSA-N 1 1 398.488 3.951 20 5 GHBDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001193271631 870993630 /nfs/dbraw/zinc/99/36/30/870993630.db2.gz BDNDCIZVMXXOMU-GJZGRUSLSA-N 1 1 383.448 3.940 20 5 GHBDMO CC(C)(C)OC(=O)Nc1cccc2c1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169045868 871127670 /nfs/dbraw/zinc/12/76/70/871127670.db2.gz KCYBFQROSMOUQZ-GOEBONIOSA-N 1 1 375.469 3.837 20 5 GHBDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001169152526 871264668 /nfs/dbraw/zinc/26/46/68/871264668.db2.gz LRKNMUIPBOAEDB-GJZGRUSLSA-N 1 1 386.448 3.999 20 5 GHBDMO C[C@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000539238839 871576030 /nfs/dbraw/zinc/57/60/30/871576030.db2.gz JKXPZSMCIGFARN-HNNXBMFYSA-N 1 1 382.464 3.671 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001169537858 871615418 /nfs/dbraw/zinc/61/54/18/871615418.db2.gz BYPHSTVFUIEOMT-QAPCUYQASA-N 1 1 399.516 3.957 20 5 GHBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463455354 871793710 /nfs/dbraw/zinc/79/37/10/871793710.db2.gz ZJEXOHFGBSLARW-CABCVRRESA-N 1 1 385.386 3.537 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463455354 871793714 /nfs/dbraw/zinc/79/37/14/871793714.db2.gz ZJEXOHFGBSLARW-CABCVRRESA-N 1 1 385.386 3.537 20 5 GHBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ncc(-c3ccccc3)cn2)n1 ZINC000447600194 871959398 /nfs/dbraw/zinc/95/93/98/871959398.db2.gz ZSASKBIAFDCMJE-QZTJIDSGSA-N 1 1 378.436 3.522 20 5 GHBDMO CC[N@H+]1CCC[C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447691610 872129308 /nfs/dbraw/zinc/12/93/08/872129308.db2.gz TZWIZTQBJUFXFC-SNVBAGLBSA-N 1 1 382.333 3.788 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447691609 872129326 /nfs/dbraw/zinc/12/93/26/872129326.db2.gz TZWIZTQBJUFXFC-JTQLQIEISA-N 1 1 382.333 3.788 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1Cl ZINC000478049186 872425019 /nfs/dbraw/zinc/42/50/19/872425019.db2.gz YEEXKDCVKDQPKX-UHFFFAOYSA-N 1 1 399.838 3.748 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478230010 872696151 /nfs/dbraw/zinc/69/61/51/872696151.db2.gz KBKXGXMCWAVRNP-SJLPKXTDSA-N 1 1 395.793 3.588 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023373 882743514 /nfs/dbraw/zinc/74/35/14/882743514.db2.gz LQQVFVOTFSBFGR-LJQANCHMSA-N 1 1 383.448 3.919 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023373 882743525 /nfs/dbraw/zinc/74/35/25/882743525.db2.gz LQQVFVOTFSBFGR-LJQANCHMSA-N 1 1 383.448 3.919 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000448605633 873659588 /nfs/dbraw/zinc/65/95/88/873659588.db2.gz QYOZZWKNDDAZPA-UHFFFAOYSA-N 1 1 395.381 3.866 20 5 GHBDMO O=C(C[N@H+]1CCCC[C@H](C2CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001197285434 873713127 /nfs/dbraw/zinc/71/31/27/873713127.db2.gz QFLDOVGHGBLGNQ-HNNXBMFYSA-N 1 1 395.887 3.715 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000769187869 873873939 /nfs/dbraw/zinc/87/39/39/873873939.db2.gz BGNHOUARLBVKEH-AWEZNQCLSA-N 1 1 399.285 3.517 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000475719427 882769678 /nfs/dbraw/zinc/76/96/78/882769678.db2.gz SJKQMYLVOXIUEO-OAQYLSRUSA-N 1 1 386.448 3.976 20 5 GHBDMO O=C(Nc1cc2cccnc2c2ncccc12)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001197611621 873912395 /nfs/dbraw/zinc/91/23/95/873912395.db2.gz ZFQWWOLDVXUOQE-LJQANCHMSA-N 1 1 398.466 3.602 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)C1 ZINC000122450361 873947810 /nfs/dbraw/zinc/94/78/10/873947810.db2.gz NHOKAJXXQDCMJQ-CXAGYDPISA-N 1 1 388.493 3.521 20 5 GHBDMO CCOc1cc(C[N@@H+](CC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001197672601 873960891 /nfs/dbraw/zinc/96/08/91/873960891.db2.gz RTLHJKQSJZFOER-MRXNPFEDSA-N 1 1 393.484 3.825 20 5 GHBDMO C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541603718 873969628 /nfs/dbraw/zinc/96/96/28/873969628.db2.gz VIRGSSCACMPCMC-JZXOWHBKSA-N 1 1 399.466 3.864 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769516340 874123789 /nfs/dbraw/zinc/12/37/89/874123789.db2.gz SULYERYDZBKFOY-CQSZACIVSA-N 1 1 382.302 3.521 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)nc2c1 ZINC000769773378 874269521 /nfs/dbraw/zinc/26/95/21/874269521.db2.gz XXFGFQRLVWVNJO-KXBFYZLASA-N 1 1 384.411 3.698 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)nc2c1 ZINC000769773378 874269533 /nfs/dbraw/zinc/26/95/33/874269533.db2.gz XXFGFQRLVWVNJO-KXBFYZLASA-N 1 1 384.411 3.698 20 5 GHBDMO C[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000464902245 874713428 /nfs/dbraw/zinc/71/34/28/874713428.db2.gz QZYRHAHLHGTYCZ-MRXNPFEDSA-N 1 1 392.459 3.813 20 5 GHBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000449378735 874794818 /nfs/dbraw/zinc/79/48/18/874794818.db2.gz XLTPKKJHMAFMCM-NSHDSACASA-N 1 1 383.242 3.820 20 5 GHBDMO CC(C)(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000542279784 875292190 /nfs/dbraw/zinc/29/21/90/875292190.db2.gz MAUFBOVLAPDNMP-UHFFFAOYSA-N 1 1 394.468 3.808 20 5 GHBDMO CC(C)(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000542279784 875292202 /nfs/dbraw/zinc/29/22/02/875292202.db2.gz MAUFBOVLAPDNMP-UHFFFAOYSA-N 1 1 394.468 3.808 20 5 GHBDMO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000794437054 875358120 /nfs/dbraw/zinc/35/81/20/875358120.db2.gz VUZOVFQSUISGET-LLVKDONJSA-N 1 1 380.807 3.594 20 5 GHBDMO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000794437054 875358136 /nfs/dbraw/zinc/35/81/36/875358136.db2.gz VUZOVFQSUISGET-LLVKDONJSA-N 1 1 380.807 3.594 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000026345284 875563120 /nfs/dbraw/zinc/56/31/20/875563120.db2.gz YTFDQSPKBDWCHN-LBPRGKRZSA-N 1 1 393.390 3.903 20 5 GHBDMO C[NH+]1CCN(C(=O)c2ccc(Nc3cc4cccnc4c4ncccc34)cc2)CC1 ZINC001201614051 875790035 /nfs/dbraw/zinc/79/00/35/875790035.db2.gz JQUMNHJSBADSKI-UHFFFAOYSA-N 1 1 397.482 3.914 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001202080321 875992661 /nfs/dbraw/zinc/99/26/61/875992661.db2.gz NMNHAKCAICUOSG-QUCCMNQESA-N 1 1 394.475 3.950 20 5 GHBDMO O=[N+]([O-])c1cccc2c1ccnc2NCc1ccccc1C[NH+]1CCOCC1 ZINC000450229374 876093206 /nfs/dbraw/zinc/09/32/06/876093206.db2.gz XGCSQAXBVXNOHT-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)cc1 ZINC000776273778 876136619 /nfs/dbraw/zinc/13/66/19/876136619.db2.gz AKHWZTQENQFNLO-HKUYNNGSSA-N 1 1 376.840 3.825 20 5 GHBDMO CN1CC[NH+](Cc2ccc(CNc3nccc4c3cccc4[N+](=O)[O-])cc2)CC1 ZINC000450257369 876155667 /nfs/dbraw/zinc/15/56/67/876155667.db2.gz LEXYGPAFAPVIHB-UHFFFAOYSA-N 1 1 391.475 3.503 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000121778416 876248088 /nfs/dbraw/zinc/24/80/88/876248088.db2.gz CQBIXRHNLGCGQK-HNNXBMFYSA-N 1 1 393.447 3.692 20 5 GHBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450330184 876268927 /nfs/dbraw/zinc/26/89/27/876268927.db2.gz IDOSKCGPUDNZLK-HNNXBMFYSA-N 1 1 395.488 3.997 20 5 GHBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000450484342 876507883 /nfs/dbraw/zinc/50/78/83/876507883.db2.gz LBMGOYLLMAKIKG-UHFFFAOYSA-N 1 1 394.431 3.903 20 5 GHBDMO Cc1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000492336656 876647875 /nfs/dbraw/zinc/64/78/75/876647875.db2.gz WQQYNUQSWMWEOC-OAHLLOKOSA-N 1 1 383.217 3.628 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](C)CCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000492401761 876745433 /nfs/dbraw/zinc/74/54/33/876745433.db2.gz QQQXLPSVTZNTJB-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000492401761 876745442 /nfs/dbraw/zinc/74/54/42/876745442.db2.gz QQQXLPSVTZNTJB-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO CNc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000609995873 877265973 /nfs/dbraw/zinc/26/59/73/877265973.db2.gz OEZXUARMWLSYQU-QFBILLFUSA-N 1 1 396.491 3.762 20 5 GHBDMO COc1cc(C[NH2+]Cc2cc(C)n[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000610009989 877282790 /nfs/dbraw/zinc/28/27/90/877282790.db2.gz ONYSSFPBOYDRGP-UHFFFAOYSA-N 1 1 382.420 3.504 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000787405537 877399407 /nfs/dbraw/zinc/39/94/07/877399407.db2.gz FRQHBKOKDCBABC-XBNGYDHASA-N 1 1 375.469 3.845 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000477313809 877413732 /nfs/dbraw/zinc/41/37/32/877413732.db2.gz AQAHMCUXMJFSQU-INIZCTEOSA-N 1 1 399.466 3.967 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615283886 877594226 /nfs/dbraw/zinc/59/42/26/877594226.db2.gz RNSCQTFGGUOKQK-NRFANRHFSA-N 1 1 386.448 3.529 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237666776 877757549 /nfs/dbraw/zinc/75/75/49/877757549.db2.gz UBPGMTNJMHDTSE-INIZCTEOSA-N 1 1 385.512 3.595 20 5 GHBDMO C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237666776 877757553 /nfs/dbraw/zinc/75/75/53/877757553.db2.gz UBPGMTNJMHDTSE-INIZCTEOSA-N 1 1 385.512 3.595 20 5 GHBDMO Cc1oc2ccccc2c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000130029518 877882245 /nfs/dbraw/zinc/88/22/45/877882245.db2.gz OPNQTXASFDSMRL-UHFFFAOYSA-N 1 1 379.416 3.607 20 5 GHBDMO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000851817689 877926158 /nfs/dbraw/zinc/92/61/58/877926158.db2.gz YWVUQZYKVZKRAC-UHFFFAOYSA-N 1 1 382.461 3.503 20 5 GHBDMO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451542890 878109180 /nfs/dbraw/zinc/10/91/80/878109180.db2.gz AQHBIWHQUUUXTK-RXVVDRJESA-N 1 1 393.487 3.937 20 5 GHBDMO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545204 878117437 /nfs/dbraw/zinc/11/74/37/878117437.db2.gz HAEPNSJHUKFHEF-ZBFHGGJFSA-N 1 1 378.432 3.922 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCCS(=O)(=O)c3ccccc3)C2)cc1 ZINC000451548739 878122987 /nfs/dbraw/zinc/12/29/87/878122987.db2.gz OEUIHOLYWSJGSF-SFHVURJKSA-N 1 1 388.489 3.638 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCCS(=O)(=O)c3ccccc3)C2)cc1 ZINC000451548739 878123005 /nfs/dbraw/zinc/12/30/05/878123005.db2.gz OEUIHOLYWSJGSF-SFHVURJKSA-N 1 1 388.489 3.638 20 5 GHBDMO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000852515020 878389228 /nfs/dbraw/zinc/38/92/28/878389228.db2.gz OPFZAUMSFHVTNW-HZPDHXFCSA-N 1 1 385.247 3.600 20 5 GHBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000852515020 878389244 /nfs/dbraw/zinc/38/92/44/878389244.db2.gz OPFZAUMSFHVTNW-HZPDHXFCSA-N 1 1 385.247 3.600 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000616119239 878580732 /nfs/dbraw/zinc/58/07/32/878580732.db2.gz SLPDRZPNOQPQPH-GOSISDBHSA-N 1 1 382.464 3.950 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452121920 878969925 /nfs/dbraw/zinc/96/99/25/878969925.db2.gz HCLFTSIGDWKWCZ-LAUBAEHRSA-N 1 1 397.475 3.677 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789595032 879104451 /nfs/dbraw/zinc/10/44/51/879104451.db2.gz QLJZEKUTQIFALU-ZDJZVTAXSA-N 1 1 379.460 3.731 20 5 GHBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000461083358 879136301 /nfs/dbraw/zinc/13/63/01/879136301.db2.gz FNMGOMSLGXKNIW-OAHLLOKOSA-N 1 1 391.431 3.559 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000068880107 879143043 /nfs/dbraw/zinc/14/30/43/879143043.db2.gz UFOCRMRIDSEVSR-SFHVURJKSA-N 1 1 379.420 3.657 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000068880107 879143057 /nfs/dbraw/zinc/14/30/57/879143057.db2.gz UFOCRMRIDSEVSR-SFHVURJKSA-N 1 1 379.420 3.657 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000617001870 879309714 /nfs/dbraw/zinc/30/97/14/879309714.db2.gz ZBMMUARETNGQIN-OAHLLOKOSA-N 1 1 377.488 3.532 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538422713 879439521 /nfs/dbraw/zinc/43/95/21/879439521.db2.gz UWLXNBZBVVHBJJ-CZUORRHYSA-N 1 1 383.832 3.510 20 5 GHBDMO COc1cccc(C[N@H+](Cc2csc([N+](=O)[O-])c2)C2CCC(O)CC2)c1 ZINC000069010494 879447164 /nfs/dbraw/zinc/44/71/64/879447164.db2.gz AKAFCHTWTQQSPR-UHFFFAOYSA-N 1 1 376.478 3.971 20 5 GHBDMO COc1cccc(C[N@@H+](Cc2csc([N+](=O)[O-])c2)C2CCC(O)CC2)c1 ZINC000069010494 879447171 /nfs/dbraw/zinc/44/71/71/879447171.db2.gz AKAFCHTWTQQSPR-UHFFFAOYSA-N 1 1 376.478 3.971 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc([N+](=O)[O-])ccc3F)C2)s1 ZINC000854396626 879780043 /nfs/dbraw/zinc/78/00/43/879780043.db2.gz ILAXWXRFHGSFSW-CQSZACIVSA-N 1 1 391.468 3.698 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790537234 879804273 /nfs/dbraw/zinc/80/42/73/879804273.db2.gz AUNAJVQABYGAQP-ZDUSSCGKSA-N 1 1 385.867 3.701 20 5 GHBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461439259 879814221 /nfs/dbraw/zinc/81/42/21/879814221.db2.gz QCNZAMAHYCCNMW-AEFFLSMTSA-N 1 1 399.878 3.842 20 5 GHBDMO CCOc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000181135830 879834963 /nfs/dbraw/zinc/83/49/63/879834963.db2.gz SYWRNLNGDYPWJR-LJQANCHMSA-N 1 1 385.464 3.562 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494045566 879850895 /nfs/dbraw/zinc/85/08/95/879850895.db2.gz BBRSRFBNELJKPS-ZDUSSCGKSA-N 1 1 382.420 3.544 20 5 GHBDMO C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000494049522 879855921 /nfs/dbraw/zinc/85/59/21/879855921.db2.gz NQHYVGBSBZNDPL-KUHUBIRLSA-N 1 1 387.867 3.570 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000791056810 880180373 /nfs/dbraw/zinc/18/03/73/880180373.db2.gz YAJSDSUDBJRZDB-OAQYLSRUSA-N 1 1 385.439 3.684 20 5 GHBDMO CCOC(=O)CC[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774637204 912564586 /nfs/dbraw/zinc/56/45/86/912564586.db2.gz AFPKLPFNIRMWMB-CYBMUJFWSA-N 1 1 394.859 3.611 20 5 GHBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774637204 912564635 /nfs/dbraw/zinc/56/46/35/912564635.db2.gz AFPKLPFNIRMWMB-CYBMUJFWSA-N 1 1 394.859 3.611 20 5 GHBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000531868799 880647811 /nfs/dbraw/zinc/64/78/11/880647811.db2.gz KVDKHSACFISHMK-ZDUSSCGKSA-N 1 1 375.425 3.680 20 5 GHBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000531868799 880647818 /nfs/dbraw/zinc/64/78/18/880647818.db2.gz KVDKHSACFISHMK-ZDUSSCGKSA-N 1 1 375.425 3.680 20 5 GHBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+]([C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000453287950 880729911 /nfs/dbraw/zinc/72/99/11/880729911.db2.gz RRHFRAYGRLJCMS-RAUXBKROSA-N 1 1 393.487 3.587 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000499118006 881189087 /nfs/dbraw/zinc/18/90/87/881189087.db2.gz ZXEDVAOIFYPICD-ABSDTBQOSA-N 1 1 396.491 3.926 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000856479370 881277244 /nfs/dbraw/zinc/27/72/44/881277244.db2.gz KRSVDJHAKPKOLY-LBPRGKRZSA-N 1 1 386.279 3.753 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000174964100 883126117 /nfs/dbraw/zinc/12/61/17/883126117.db2.gz RCEXPOLCGBKGNS-JTPHSUOKSA-N 1 1 379.460 3.589 20 5 GHBDMO O=C(C[NH2+]C1(c2nccs2)CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000175011398 883179134 /nfs/dbraw/zinc/17/91/34/883179134.db2.gz NCSCAAGMFXIDGQ-UHFFFAOYSA-N 1 1 380.857 3.702 20 5 GHBDMO CCCc1[nH]nc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000609476547 883240265 /nfs/dbraw/zinc/24/02/65/883240265.db2.gz CDOSVZYYMLJBDJ-AWEZNQCLSA-N 1 1 385.468 3.755 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000609489583 883253261 /nfs/dbraw/zinc/25/32/61/883253261.db2.gz TWZOPPFRMHRIDJ-CQSZACIVSA-N 1 1 379.526 3.947 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609730108 883583217 /nfs/dbraw/zinc/58/32/17/883583217.db2.gz NBWVKOMKIWYFPI-GASCZTMLSA-N 1 1 397.903 3.501 20 5 GHBDMO C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498382024 884236218 /nfs/dbraw/zinc/23/62/18/884236218.db2.gz JCYVOMLSOCTQPC-IEBWSBKVSA-N 1 1 395.503 3.899 20 5 GHBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n1)OC2 ZINC000556341505 884501875 /nfs/dbraw/zinc/50/18/75/884501875.db2.gz UNWZHBXQAXKJRT-BBRMVZONSA-N 1 1 398.341 3.589 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000248878338 884893170 /nfs/dbraw/zinc/89/31/70/884893170.db2.gz RJJLHEOVOOIXRU-RDTXWAMCSA-N 1 1 385.489 3.567 20 5 GHBDMO CSc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000193259067 885115726 /nfs/dbraw/zinc/11/57/26/885115726.db2.gz NUPZMCSBFJMNMQ-GFCCVEGCSA-N 1 1 391.518 3.555 20 5 GHBDMO CSc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000193259067 885115743 /nfs/dbraw/zinc/11/57/43/885115743.db2.gz NUPZMCSBFJMNMQ-GFCCVEGCSA-N 1 1 391.518 3.555 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)s1 ZINC000026250981 885355339 /nfs/dbraw/zinc/35/53/39/885355339.db2.gz JLCVBWYVMDEGOQ-UHFFFAOYSA-N 1 1 398.282 3.879 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)c([N+](=O)[O-])cc1F ZINC000286893340 912953831 /nfs/dbraw/zinc/95/38/31/912953831.db2.gz IONYGRBMZXMYJE-GFCCVEGCSA-N 1 1 378.400 3.919 20 5 GHBDMO COc1c(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476457951 885892095 /nfs/dbraw/zinc/89/20/95/885892095.db2.gz IXPBVKXCZUGYHD-SJLPKXTDSA-N 1 1 397.475 3.634 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000808059326 885962711 /nfs/dbraw/zinc/96/27/11/885962711.db2.gz BPYULRLQBXLEEB-OEPRFQHASA-N 1 1 399.516 3.958 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000919691750 886141625 /nfs/dbraw/zinc/14/16/25/886141625.db2.gz PGAWHTCWEDIHTQ-UHFFFAOYSA-N 1 1 393.418 3.845 20 5 GHBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272346754 887136030 /nfs/dbraw/zinc/13/60/30/887136030.db2.gz QGNSGJNQQJGQAX-YLJYHZDGSA-N 1 1 381.476 3.554 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000032516419 887245719 /nfs/dbraw/zinc/24/57/19/887245719.db2.gz LDVBLXDTWQFHBU-KRWDZBQOSA-N 1 1 387.436 3.544 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000129661232 887332883 /nfs/dbraw/zinc/33/28/83/887332883.db2.gz LBQUKJOGLWTXAE-YVEFUNNKSA-N 1 1 377.441 3.608 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1)CC1CC1 ZINC000536593215 887393909 /nfs/dbraw/zinc/39/39/09/887393909.db2.gz DXOKTMANLRZVHC-UHFFFAOYSA-N 1 1 387.524 3.806 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000193925886 887826265 /nfs/dbraw/zinc/82/62/65/887826265.db2.gz XBWSCXKQQJTTHX-IBGZPJMESA-N 1 1 389.383 3.588 20 5 GHBDMO CN(C)CC[NH+]1CCC(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301108865 888391185 /nfs/dbraw/zinc/39/11/85/888391185.db2.gz XGCDBAIGFGMCJU-UHFFFAOYSA-N 1 1 394.825 3.705 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454534290 889284007 /nfs/dbraw/zinc/28/40/07/889284007.db2.gz DWTXYUUDTAKKIH-MSOLQXFVSA-N 1 1 386.496 3.501 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CCc1cccs1 ZINC000532939065 889342133 /nfs/dbraw/zinc/34/21/33/889342133.db2.gz AKVVHDXPRLAWIQ-UHFFFAOYSA-N 1 1 377.466 3.558 20 5 GHBDMO O=C(C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532977554 889440776 /nfs/dbraw/zinc/44/07/76/889440776.db2.gz SDQXXDZHJLBSDM-AWEZNQCLSA-N 1 1 391.830 3.890 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532977554 889440783 /nfs/dbraw/zinc/44/07/83/889440783.db2.gz SDQXXDZHJLBSDM-AWEZNQCLSA-N 1 1 391.830 3.890 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000811472350 889657768 /nfs/dbraw/zinc/65/77/68/889657768.db2.gz BLZRBCYKGVWLIJ-UHFFFAOYSA-N 1 1 392.246 3.831 20 5 GHBDMO COC(=O)/C=C/c1ccc(NCc2cc(C)[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000811853580 890046519 /nfs/dbraw/zinc/04/65/19/890046519.db2.gz FMCLIOSVDWFLIW-SOFGYWHQSA-N 1 1 396.447 3.697 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCc2ccccc21 ZINC000533256443 890108919 /nfs/dbraw/zinc/10/89/19/890108919.db2.gz XXMLMOZTZYRBQA-KRWDZBQOSA-N 1 1 397.431 3.662 20 5 GHBDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000533264800 890165298 /nfs/dbraw/zinc/16/52/98/890165298.db2.gz PZVOOZRTRITVMD-MRXNPFEDSA-N 1 1 381.432 3.691 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000533297908 890237264 /nfs/dbraw/zinc/23/72/64/890237264.db2.gz MFQCMPYWICVYIB-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795104693 890268964 /nfs/dbraw/zinc/26/89/64/890268964.db2.gz ZISXVIXDUDVDIE-HFTRVMKXSA-N 1 1 375.469 3.987 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795106538 890298884 /nfs/dbraw/zinc/29/88/84/890298884.db2.gz XPQKCTWUUVAJTQ-BFYDXBDKSA-N 1 1 375.469 3.987 20 5 GHBDMO CC(C)[N@H+](C)CC1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000533408698 890480505 /nfs/dbraw/zinc/48/05/05/890480505.db2.gz HELDTECARUWGPU-OAHLLOKOSA-N 1 1 387.484 3.758 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000533408698 890480511 /nfs/dbraw/zinc/48/05/11/890480511.db2.gz HELDTECARUWGPU-OAHLLOKOSA-N 1 1 387.484 3.758 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000533419069 890507589 /nfs/dbraw/zinc/50/75/89/890507589.db2.gz ZXKCINISQRRIDZ-UHFFFAOYSA-N 1 1 393.447 3.657 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000533419069 890507599 /nfs/dbraw/zinc/50/75/99/890507599.db2.gz ZXKCINISQRRIDZ-UHFFFAOYSA-N 1 1 393.447 3.657 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001184839400 913477250 /nfs/dbraw/zinc/47/72/50/913477250.db2.gz INSTYBOLWOYONU-UHFFFAOYSA-N 1 1 394.475 3.899 20 5 GHBDMO COC(=O)/C=C\c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000795179789 890926104 /nfs/dbraw/zinc/92/61/04/890926104.db2.gz NLYUBJILPUPLJH-QIBOZCLASA-N 1 1 395.459 3.715 20 5 GHBDMO O=C(/C=C/c1ccc2[nH]ccc2c1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171906 891329869 /nfs/dbraw/zinc/32/98/69/891329869.db2.gz WVNFMKOEWXVJBA-CYXJOQHWSA-N 1 1 391.427 3.907 20 5 GHBDMO O=C(/C=C/c1ccc2[nH]ccc2c1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171906 891329885 /nfs/dbraw/zinc/32/98/85/891329885.db2.gz WVNFMKOEWXVJBA-CYXJOQHWSA-N 1 1 391.427 3.907 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H](c1ccccc1)C1CC1 ZINC000813173644 891336408 /nfs/dbraw/zinc/33/64/08/891336408.db2.gz HYROVOGKWDKGQX-SFTDATJTSA-N 1 1 380.444 3.906 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H](c1ccccc1)C1CC1 ZINC000813173644 891336425 /nfs/dbraw/zinc/33/64/25/891336425.db2.gz HYROVOGKWDKGQX-SFTDATJTSA-N 1 1 380.444 3.906 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001126754414 891510656 /nfs/dbraw/zinc/51/06/56/891510656.db2.gz SLQIMCZDJATOTB-VQIMIIECSA-N 1 1 381.476 3.995 20 5 GHBDMO Cc1ccc(N2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000917212413 891631275 /nfs/dbraw/zinc/63/12/75/891631275.db2.gz XKIJMKLBELNXFX-UHFFFAOYSA-N 1 1 396.491 3.753 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000814175951 892330372 /nfs/dbraw/zinc/33/03/72/892330372.db2.gz KWBADGZRTZTNSW-IAGOWNOFSA-N 1 1 375.469 3.735 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000814226057 892418255 /nfs/dbraw/zinc/41/82/55/892418255.db2.gz ZEDNIOLZMZUEAR-LJQANCHMSA-N 1 1 377.448 3.863 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000192456394 892466275 /nfs/dbraw/zinc/46/62/75/892466275.db2.gz LBXBWNKTHVGRQV-GHTZIAJQSA-N 1 1 395.459 3.620 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000934332150 893552685 /nfs/dbraw/zinc/55/26/85/893552685.db2.gz DJGCMZGARNKJAW-LLVKDONJSA-N 1 1 399.419 3.726 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498303387 893966495 /nfs/dbraw/zinc/96/64/95/893966495.db2.gz JQMATLIWUVNHGG-HNNXBMFYSA-N 1 1 384.480 3.773 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)o1 ZINC000878059131 893986542 /nfs/dbraw/zinc/98/65/42/893986542.db2.gz HBXFZVNMFYUWNE-GOSISDBHSA-N 1 1 380.404 3.608 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)o1 ZINC000878059131 893986555 /nfs/dbraw/zinc/98/65/55/893986555.db2.gz HBXFZVNMFYUWNE-GOSISDBHSA-N 1 1 380.404 3.608 20 5 GHBDMO CCC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000878125351 894036509 /nfs/dbraw/zinc/03/65/09/894036509.db2.gz LATDTRMYXGGIFD-ZTFGCOKTSA-N 1 1 386.452 3.670 20 5 GHBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000918571586 894047444 /nfs/dbraw/zinc/04/74/44/894047444.db2.gz FTJBWSLREMOEIO-IRXDYDNUSA-N 1 1 388.512 3.578 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000935316233 894356288 /nfs/dbraw/zinc/35/62/88/894356288.db2.gz RVAUXWNVXKVPLE-UONOGXRCSA-N 1 1 377.510 3.700 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCSC[C@H]2C2CC2)o1 ZINC000878680404 894506687 /nfs/dbraw/zinc/50/66/87/894506687.db2.gz UGYXRHFJIJBFFX-AWEZNQCLSA-N 1 1 380.857 3.626 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCSC[C@H]2C2CC2)o1 ZINC000878680404 894506692 /nfs/dbraw/zinc/50/66/92/894506692.db2.gz UGYXRHFJIJBFFX-AWEZNQCLSA-N 1 1 380.857 3.626 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000564136077 894638654 /nfs/dbraw/zinc/63/86/54/894638654.db2.gz JOQZOXZDYVPPBI-CYBMUJFWSA-N 1 1 376.844 3.890 20 5 GHBDMO CCC[N@@H+](C)CC(C)(C)NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878995332 894769392 /nfs/dbraw/zinc/76/93/92/894769392.db2.gz BFMIOQOLWIBZSB-UHFFFAOYSA-N 1 1 381.864 3.508 20 5 GHBDMO COC(=O)Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001185554457 913948983 /nfs/dbraw/zinc/94/89/83/913948983.db2.gz BXLBVVQLDMKFKW-APWZRJJASA-N 1 1 397.475 3.633 20 5 GHBDMO CN(Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817274204 895458268 /nfs/dbraw/zinc/45/82/68/895458268.db2.gz FYYVLQAGZHZLLK-UHFFFAOYSA-N 1 1 389.883 3.712 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001135951314 895757917 /nfs/dbraw/zinc/75/79/17/895757917.db2.gz ZAHGDYVXKNBSEL-UHFFFAOYSA-N 1 1 397.450 3.705 20 5 GHBDMO Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cn2cc[nH+]c12 ZINC000818045997 896034311 /nfs/dbraw/zinc/03/43/11/896034311.db2.gz XZMDNPDODJGQPC-UHFFFAOYSA-N 1 1 393.172 3.705 20 5 GHBDMO Cc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1[N+](=O)[O-] ZINC000567090608 896867064 /nfs/dbraw/zinc/86/70/64/896867064.db2.gz PYEXOAZIWWFUTG-SFHVURJKSA-N 1 1 380.404 3.527 20 5 GHBDMO Cc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1[N+](=O)[O-] ZINC000567090608 896867074 /nfs/dbraw/zinc/86/70/74/896867074.db2.gz PYEXOAZIWWFUTG-SFHVURJKSA-N 1 1 380.404 3.527 20 5 GHBDMO Cc1cc(F)cc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)c1[N+](=O)[O-] ZINC000819678212 896899340 /nfs/dbraw/zinc/89/93/40/896899340.db2.gz JSJFCOPTIPOGOS-UHFFFAOYSA-N 1 1 392.456 3.908 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000567376371 897104093 /nfs/dbraw/zinc/10/40/93/897104093.db2.gz AKDICALYEQQZKV-UHFFFAOYSA-N 1 1 377.466 3.504 20 5 GHBDMO Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883288308 897451245 /nfs/dbraw/zinc/45/12/45/897451245.db2.gz ZEEGBGGESLPPQV-UHFFFAOYSA-N 1 1 379.258 3.648 20 5 GHBDMO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000567915312 897485925 /nfs/dbraw/zinc/48/59/25/897485925.db2.gz NMCVTCYITUZUIP-QRWLVFNGSA-N 1 1 398.482 3.824 20 5 GHBDMO CC(C)(NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000568102938 897596790 /nfs/dbraw/zinc/59/67/90/897596790.db2.gz WYTYLLSSPJCEAI-GOSISDBHSA-N 1 1 381.476 3.858 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001136423404 897751358 /nfs/dbraw/zinc/75/13/58/897751358.db2.gz HBLWJIGEULEHDZ-UHFFFAOYSA-N 1 1 397.475 3.560 20 5 GHBDMO CC(C)[C@H](C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCCCC1 ZINC000778644847 897849736 /nfs/dbraw/zinc/84/97/36/897849736.db2.gz CLDAHYBWFJJEMO-GOSISDBHSA-N 1 1 387.436 3.804 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](N4CCOCC4)CC3)o2)cc1 ZINC000569470946 898696099 /nfs/dbraw/zinc/69/60/99/898696099.db2.gz DJQKUYBXSWKQAF-SFHVURJKSA-N 1 1 385.464 3.542 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000110390389 898700097 /nfs/dbraw/zinc/70/00/97/898700097.db2.gz CKEBRHNZJRTMMY-AYHJJNSGSA-N 1 1 395.459 3.529 20 5 GHBDMO C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778715550 898901801 /nfs/dbraw/zinc/90/18/01/898901801.db2.gz WUDIGGQKSWPOLW-PISIYBLASA-N 1 1 379.460 3.635 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000134156208 899667171 /nfs/dbraw/zinc/66/71/71/899667171.db2.gz UXHHZLKGRRIJRK-HZPDHXFCSA-N 1 1 393.484 3.599 20 5 GHBDMO COc1ccc(C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)C)cc1 ZINC000571002110 899708905 /nfs/dbraw/zinc/70/89/05/899708905.db2.gz FVYLWXHLYALZOC-UHFFFAOYSA-N 1 1 397.475 3.793 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1F ZINC000824658301 899741968 /nfs/dbraw/zinc/74/19/68/899741968.db2.gz ZAWLSKWPFICWEP-HZSPNIEDSA-N 1 1 381.423 3.659 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030065 899943913 /nfs/dbraw/zinc/94/39/13/899943913.db2.gz DIGLBSRVZBJNLN-QAPCUYQASA-N 1 1 376.453 3.501 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000045622915 900306144 /nfs/dbraw/zinc/30/61/44/900306144.db2.gz AHTBIDCODWCRJW-KRWDZBQOSA-N 1 1 396.491 3.826 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001143770389 900498109 /nfs/dbraw/zinc/49/81/09/900498109.db2.gz QFEIEDDKOWUUCD-UHFFFAOYSA-N 1 1 381.904 3.904 20 5 GHBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000573632751 900580635 /nfs/dbraw/zinc/58/06/35/900580635.db2.gz KZGOMQMWCNZGHA-NRFANRHFSA-N 1 1 399.878 3.986 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)o2)cc1 ZINC000886610760 901188675 /nfs/dbraw/zinc/18/86/75/901188675.db2.gz JJHWOWNPZHCUCO-LRDDRELGSA-N 1 1 382.342 3.809 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)o2)cc1 ZINC000886610760 901188686 /nfs/dbraw/zinc/18/86/86/901188686.db2.gz JJHWOWNPZHCUCO-LRDDRELGSA-N 1 1 382.342 3.809 20 5 GHBDMO COc1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000575753507 901276559 /nfs/dbraw/zinc/27/65/59/901276559.db2.gz VNWLLBIGLNBXLX-KRWDZBQOSA-N 1 1 389.521 3.927 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000122130924 901732292 /nfs/dbraw/zinc/73/22/92/901732292.db2.gz CJZBBIIKXFOFEU-DYVFJYSZSA-N 1 1 388.493 3.521 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000122692991 901824818 /nfs/dbraw/zinc/82/48/18/901824818.db2.gz FMPYNSBSIPYPSO-UHFFFAOYSA-N 1 1 397.353 3.555 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000122692991 901824829 /nfs/dbraw/zinc/82/48/29/901824829.db2.gz FMPYNSBSIPYPSO-UHFFFAOYSA-N 1 1 397.353 3.555 20 5 GHBDMO COc1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000778948994 902118642 /nfs/dbraw/zinc/11/86/42/902118642.db2.gz VQXVJKHYMHKLPH-IBGZPJMESA-N 1 1 382.416 3.932 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)nc2c1 ZINC000576910182 902351494 /nfs/dbraw/zinc/35/14/94/902351494.db2.gz ARWXEMNYTIQMRR-ROUUACIJSA-N 1 1 392.459 3.690 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000577253377 902620726 /nfs/dbraw/zinc/62/07/26/902620726.db2.gz FYKKGDDGPVXKBV-GOSISDBHSA-N 1 1 397.475 3.805 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000577253377 902620736 /nfs/dbraw/zinc/62/07/36/902620736.db2.gz FYKKGDDGPVXKBV-GOSISDBHSA-N 1 1 397.475 3.805 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000578343790 903749774 /nfs/dbraw/zinc/74/97/74/903749774.db2.gz MKSHSERPWJJNNA-UHFFFAOYSA-N 1 1 382.464 3.897 20 5 GHBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000773036624 904391073 /nfs/dbraw/zinc/39/10/73/904391073.db2.gz QZLCQPVKCBLPNY-LBPRGKRZSA-N 1 1 382.869 3.893 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000216399550 904687972 /nfs/dbraw/zinc/68/79/72/904687972.db2.gz VNFNAJAFBWREON-ZDUSSCGKSA-N 1 1 385.247 3.773 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccncc1)c1c(Br)cccc1[N+](=O)[O-] ZINC001186896662 914859601 /nfs/dbraw/zinc/85/96/01/914859601.db2.gz RYMAUUMLBNYGEF-UHFFFAOYSA-N 1 1 393.285 3.711 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC001171910852 905141294 /nfs/dbraw/zinc/14/12/94/905141294.db2.gz ALEDTBMPCRXWJK-FQEVSTJZSA-N 1 1 398.459 3.915 20 5 GHBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1c1ccccc1 ZINC001172913980 905984956 /nfs/dbraw/zinc/98/49/56/905984956.db2.gz WUVJGJXQXCTTLJ-BAGYTPMASA-N 1 1 394.471 3.731 20 5 GHBDMO C[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172917762 905988762 /nfs/dbraw/zinc/98/87/62/905988762.db2.gz WSGKPUNEOANXKA-MJGOQNOKSA-N 1 1 389.496 3.783 20 5 GHBDMO O=C1CC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@@H]2CCCC[C@@H]12 ZINC001173010548 906087230 /nfs/dbraw/zinc/08/72/30/906087230.db2.gz USSRAWANFSAVSR-CRAIPNDOSA-N 1 1 393.434 3.675 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H](Oc3ncccc3C)C2)c1F ZINC001173191134 906273751 /nfs/dbraw/zinc/27/37/51/906273751.db2.gz ARKNNTBJHVFDBO-CABCVRRESA-N 1 1 389.427 3.530 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCO3)c1F ZINC001173195397 906280871 /nfs/dbraw/zinc/28/08/71/906280871.db2.gz FMDCTOSLOQUIDY-GFCCVEGCSA-N 1 1 376.384 3.534 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001173221729 906300147 /nfs/dbraw/zinc/30/01/47/906300147.db2.gz LKROYZDWXLLBAC-NVXWUHKLSA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001173226161 906309478 /nfs/dbraw/zinc/30/94/78/906309478.db2.gz KYQQEXCMIWNQPX-OAHLLOKOSA-N 1 1 378.432 3.677 20 5 GHBDMO CC(C)COC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(C)c21 ZINC001173228152 906310704 /nfs/dbraw/zinc/31/07/04/906310704.db2.gz WXOTUNIBOMZVOJ-WMZOPIPTSA-N 1 1 386.496 3.531 20 5 GHBDMO CC(C)COC[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(C)c21 ZINC001173228152 906310719 /nfs/dbraw/zinc/31/07/19/906310719.db2.gz WXOTUNIBOMZVOJ-WMZOPIPTSA-N 1 1 386.496 3.531 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001173228768 906312625 /nfs/dbraw/zinc/31/26/25/906312625.db2.gz SHLHSYQBNUDGHF-ZHRRBRCNSA-N 1 1 397.450 3.794 20 5 GHBDMO COc1ccc2oc([C@H](C)[NH2+]Cc3ccc(C(N)=O)cc3[N+](=O)[O-])c(C)c2c1 ZINC000184330997 907563716 /nfs/dbraw/zinc/56/37/16/907563716.db2.gz BABCOCZAPMTZGD-LBPRGKRZSA-N 1 1 383.404 3.608 20 5 GHBDMO Nc1cc2nc3ccccc3n(C3=CC[N@@H+](Cc4ccccc4)CC3)c-2cc1=O ZINC001175507450 907596078 /nfs/dbraw/zinc/59/60/78/907596078.db2.gz VINJDLBUABSTHV-UHFFFAOYSA-N 1 1 382.467 3.830 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC001175580320 907645185 /nfs/dbraw/zinc/64/51/85/907645185.db2.gz XNAMCTXTOQZSFU-CABCVRRESA-N 1 1 381.498 3.878 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC001175580320 907645192 /nfs/dbraw/zinc/64/51/92/907645192.db2.gz XNAMCTXTOQZSFU-CABCVRRESA-N 1 1 381.498 3.878 20 5 GHBDMO O=C(CC[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC001176874374 908283626 /nfs/dbraw/zinc/28/36/26/908283626.db2.gz KMNOVSXIEPDWDY-IBGZPJMESA-N 1 1 383.448 3.726 20 5 GHBDMO Cc1[nH+]ccn1CCCCOC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000773602627 908340157 /nfs/dbraw/zinc/34/01/57/908340157.db2.gz KGINKTKJRYYVTP-UHFFFAOYSA-N 1 1 388.243 3.561 20 5 GHBDMO Cc1cc([C@@](C)(O)C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])c(C)o1 ZINC001177912761 908800236 /nfs/dbraw/zinc/80/02/36/908800236.db2.gz SGVFLFKBWXNBMC-INIZCTEOSA-N 1 1 383.242 3.564 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000194061544 908912949 /nfs/dbraw/zinc/91/29/49/908912949.db2.gz ISOHKOLTUPELIF-CZUORRHYSA-N 1 1 377.422 3.653 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOCc1ccccc1 ZINC000268378272 909854854 /nfs/dbraw/zinc/85/48/54/909854854.db2.gz XOAVKHUBQFREEF-OAHLLOKOSA-N 1 1 382.420 3.854 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOCc1ccccc1 ZINC000268378272 909854865 /nfs/dbraw/zinc/85/48/65/909854865.db2.gz XOAVKHUBQFREEF-OAHLLOKOSA-N 1 1 382.420 3.854 20 5 GHBDMO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246368965 910264227 /nfs/dbraw/zinc/26/42/27/910264227.db2.gz YEPPMXRSPJEGPA-WOJBJXKFSA-N 1 1 380.448 3.835 20 5 GHBDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246368965 910264245 /nfs/dbraw/zinc/26/42/45/910264245.db2.gz YEPPMXRSPJEGPA-WOJBJXKFSA-N 1 1 380.448 3.835 20 5 GHBDMO CC1(C2CC[NH+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)OCCO1 ZINC000271151705 910795604 /nfs/dbraw/zinc/79/56/04/910795604.db2.gz BEIIXOLDGZSUGB-UHFFFAOYSA-N 1 1 389.477 3.693 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1OC(F)F ZINC000271610452 910984526 /nfs/dbraw/zinc/98/45/26/910984526.db2.gz KEYHICMYJZSCIY-NWDGAFQWSA-N 1 1 379.363 3.874 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)CC(OCC)OCC ZINC001181794450 910988378 /nfs/dbraw/zinc/98/83/78/910988378.db2.gz OVAKAFQHAQALQS-UHFFFAOYSA-N 1 1 397.475 3.684 20 5 GHBDMO C[N@H+]1CCCN(CCNC(=O)CCc2c3ccccc3cc3ccccc32)CC1 ZINC001182412521 911625010 /nfs/dbraw/zinc/62/50/10/911625010.db2.gz GBHSGSZIRXOHMC-UHFFFAOYSA-N 1 1 389.543 3.679 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000774518624 911886874 /nfs/dbraw/zinc/88/68/74/911886874.db2.gz WEFHXOCYBVCTIK-RDJZCZTQSA-N 1 1 396.447 3.799 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cc(C)cc(C)n1 ZINC001188144036 915779573 /nfs/dbraw/zinc/77/95/73/915779573.db2.gz LCGYYLGDRZHOCJ-UHFFFAOYSA-N 1 1 386.455 3.955 20 5 GHBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000293362936 916150801 /nfs/dbraw/zinc/15/08/01/916150801.db2.gz CWFBGTBLJZSBLK-STQMWFEESA-N 1 1 399.413 3.996 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccc(COC)o1 ZINC001189264310 916524214 /nfs/dbraw/zinc/52/42/14/916524214.db2.gz DRMJRNVNPZVCPS-UHFFFAOYSA-N 1 1 391.427 3.683 20 5 GHBDMO COc1c(C)c[nH+]c(CN(C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C ZINC000295207017 917205449 /nfs/dbraw/zinc/20/54/49/917205449.db2.gz UEJGQOARPYQOMN-AWEZNQCLSA-N 1 1 397.435 3.858 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1(CC)CC ZINC001191821399 918245817 /nfs/dbraw/zinc/24/58/17/918245817.db2.gz MNMWQAJRUULVQA-QZTJIDSGSA-N 1 1 378.469 3.797 20 5 GHBDMO CCOC1(C)CC[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000298252366 920344430 /nfs/dbraw/zinc/34/44/30/920344430.db2.gz KTLVMKLULVCSAB-UHFFFAOYSA-N 1 1 388.411 3.638 20 5 GHBDMO O=C(OCc1csc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000803905872 923362544 /nfs/dbraw/zinc/36/25/44/923362544.db2.gz GONGUSFQWPGLGF-OAHLLOKOSA-N 1 1 396.415 3.857 20 5 GHBDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000411285786 926272565 /nfs/dbraw/zinc/27/25/65/926272565.db2.gz SQSFZUZJFXLJGZ-CYBMUJFWSA-N 1 1 376.482 3.944 20 5 GHBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000411294202 926280252 /nfs/dbraw/zinc/28/02/52/926280252.db2.gz HUGIDHGGWWDHBG-HIFRSBDPSA-N 1 1 381.498 3.538 20 5 GHBDMO CC(C)Oc1cc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000411504218 926461578 /nfs/dbraw/zinc/46/15/78/926461578.db2.gz YTJUXQIDKDXVOX-JZXOWHBKSA-N 1 1 389.496 3.859 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411758024 926745991 /nfs/dbraw/zinc/74/59/91/926745991.db2.gz MRRWQDOFNNIDOZ-RYGJVYDSSA-N 1 1 399.516 3.788 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000726601930 926755193 /nfs/dbraw/zinc/75/51/93/926755193.db2.gz UAPAFPDPQXRPDN-YJBOKZPZSA-N 1 1 393.484 3.741 20 5 GHBDMO COc1ccc(C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@@H](C)C2CC2)cc1 ZINC000749945441 927362626 /nfs/dbraw/zinc/36/26/26/927362626.db2.gz ODRJXSLPSFXTTG-HNNXBMFYSA-N 1 1 395.463 3.915 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749951060 927367790 /nfs/dbraw/zinc/36/77/90/927367790.db2.gz XTNXMUAVQNAOPI-GOSISDBHSA-N 1 1 379.464 3.869 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000750618070 927756524 /nfs/dbraw/zinc/75/65/24/927756524.db2.gz ZSILYTWGYAXDBQ-IRLDBZIGSA-N 1 1 397.475 3.820 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000413030584 928121873 /nfs/dbraw/zinc/12/18/73/928121873.db2.gz GSHSLKRGDDKEBQ-UHFFFAOYSA-N 1 1 398.360 3.860 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H](OCCCc4ccccc4)C3)c2c1 ZINC000751958613 928510446 /nfs/dbraw/zinc/51/04/46/928510446.db2.gz IFRGJRKBXNZQKJ-FQEVSTJZSA-N 1 1 380.448 3.626 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H](OCCCc4ccccc4)C3)c2c1 ZINC000751958613 928510458 /nfs/dbraw/zinc/51/04/58/928510458.db2.gz IFRGJRKBXNZQKJ-FQEVSTJZSA-N 1 1 380.448 3.626 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000752082975 928598971 /nfs/dbraw/zinc/59/89/71/928598971.db2.gz PJDDPHZXAMOLNU-TZMCWYRMSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000752082975 928598976 /nfs/dbraw/zinc/59/89/76/928598976.db2.gz PJDDPHZXAMOLNU-TZMCWYRMSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1cccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1[N+](=O)[O-] ZINC000467035373 928621727 /nfs/dbraw/zinc/62/17/27/928621727.db2.gz RFWYSVKCTLQJIT-UHFFFAOYSA-N 1 1 392.253 3.980 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccc(C)nc3)CC2)c([N+](=O)[O-])c1 ZINC000543990564 928656507 /nfs/dbraw/zinc/65/65/07/928656507.db2.gz MHUKQHGFWYTNSC-OAHLLOKOSA-N 1 1 398.463 3.513 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000544055893 928744072 /nfs/dbraw/zinc/74/40/72/928744072.db2.gz KJJHZOOUHBVQTH-HXUWFJFHSA-N 1 1 388.489 3.986 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000544055893 928744075 /nfs/dbraw/zinc/74/40/75/928744075.db2.gz KJJHZOOUHBVQTH-HXUWFJFHSA-N 1 1 388.489 3.986 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000467938678 929614525 /nfs/dbraw/zinc/61/45/25/929614525.db2.gz QRZSBAPOOJANMZ-KDURUIRLSA-N 1 1 394.475 3.807 20 5 GHBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757109733 929647804 /nfs/dbraw/zinc/64/78/04/929647804.db2.gz PRKJZSUIVAEGNE-SUMWQHHRSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757109733 929647811 /nfs/dbraw/zinc/64/78/11/929647811.db2.gz PRKJZSUIVAEGNE-SUMWQHHRSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757113528 929652576 /nfs/dbraw/zinc/65/25/76/929652576.db2.gz YMBJNCGSGWFJIG-XJKSGUPXSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757113528 929652579 /nfs/dbraw/zinc/65/25/79/929652579.db2.gz YMBJNCGSGWFJIG-XJKSGUPXSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757113795 929652835 /nfs/dbraw/zinc/65/28/35/929652835.db2.gz ZJQHVXGPFUUVQP-MAUKXSAKSA-N 1 1 393.484 3.599 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000758779362 930164931 /nfs/dbraw/zinc/16/49/31/930164931.db2.gz IMEGFGUXSDFPHM-HOCLYGCPSA-N 1 1 393.484 3.729 20 5 GHBDMO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780769043 930594756 /nfs/dbraw/zinc/59/47/56/930594756.db2.gz WNFWDVHPXSQFFW-UAOJZALGSA-N 1 1 398.438 3.659 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000782897906 931360870 /nfs/dbraw/zinc/36/08/70/931360870.db2.gz KRERTDIEOFZURL-LJQANCHMSA-N 1 1 393.447 3.829 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000782897906 931360877 /nfs/dbraw/zinc/36/08/77/931360877.db2.gz KRERTDIEOFZURL-LJQANCHMSA-N 1 1 393.447 3.829 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1Cl ZINC000783680514 931616250 /nfs/dbraw/zinc/61/62/50/931616250.db2.gz ZNSNGZLAKLXAKU-UHFFFAOYSA-N 1 1 375.860 3.556 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000784504590 931916210 /nfs/dbraw/zinc/91/62/10/931916210.db2.gz AHDVIHWJKFWXTR-RPVQJOFSSA-N 1 1 393.459 3.859 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000797081651 932173891 /nfs/dbraw/zinc/17/38/91/932173891.db2.gz XHFPBYIGHCYVED-YLJYHZDGSA-N 1 1 394.475 3.540 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)o2)cc1 ZINC000559959515 932981213 /nfs/dbraw/zinc/98/12/13/932981213.db2.gz WPNQKJMTZXXOKJ-CXAGYDPISA-N 1 1 384.354 3.990 20 5 GHBDMO CCc1oc2ccccc2c1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000560623474 933399192 /nfs/dbraw/zinc/39/91/92/933399192.db2.gz WAYDUJASXJNTTN-UHFFFAOYSA-N 1 1 393.443 3.861 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001116448402 933565734 /nfs/dbraw/zinc/56/57/34/933565734.db2.gz UYEYWYVQTFYLDE-FXAWDEMLSA-N 1 1 385.439 3.834 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001116448402 933565737 /nfs/dbraw/zinc/56/57/37/933565737.db2.gz UYEYWYVQTFYLDE-FXAWDEMLSA-N 1 1 385.439 3.834 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001116505028 933598530 /nfs/dbraw/zinc/59/85/30/933598530.db2.gz AOLDYROMTMKDSN-STQMWFEESA-N 1 1 390.452 3.963 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001116505025 933598631 /nfs/dbraw/zinc/59/86/31/933598631.db2.gz AOLDYROMTMKDSN-CHWSQXEVSA-N 1 1 390.452 3.963 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001116750443 933736666 /nfs/dbraw/zinc/73/66/66/933736666.db2.gz ZQBJTPCHUNXIRV-RDJZCZTQSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001116750443 933736673 /nfs/dbraw/zinc/73/66/73/933736673.db2.gz ZQBJTPCHUNXIRV-RDJZCZTQSA-N 1 1 392.818 3.954 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000561283342 934020789 /nfs/dbraw/zinc/02/07/89/934020789.db2.gz VIUXKTDREYSTNK-JOCHJYFZSA-N 1 1 379.460 3.641 20 5 GHBDMO CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000561958463 934585165 /nfs/dbraw/zinc/58/51/65/934585165.db2.gz WGLRXUOUQPOGFI-GOSISDBHSA-N 1 1 383.448 3.576 20 5 GHBDMO CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000561958463 934585168 /nfs/dbraw/zinc/58/51/68/934585168.db2.gz WGLRXUOUQPOGFI-GOSISDBHSA-N 1 1 383.448 3.576 20 5 GHBDMO CC[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000562176907 934745997 /nfs/dbraw/zinc/74/59/97/934745997.db2.gz ZXUCAOCRNTTZNM-FQEVSTJZSA-N 1 1 381.476 3.996 20 5 GHBDMO Cc1cnccc1CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000828478049 935640715 /nfs/dbraw/zinc/64/07/15/935640715.db2.gz SEHQODTYMXJVIJ-UHFFFAOYSA-N 1 1 376.254 3.662 20 5 GHBDMO Cc1cnccc1CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000828478049 935640718 /nfs/dbraw/zinc/64/07/18/935640718.db2.gz SEHQODTYMXJVIJ-UHFFFAOYSA-N 1 1 376.254 3.662 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001625834428 1014218067 /nfs/dbraw/zinc/21/80/67/1014218067.db2.gz NSPNLCRBHCGRDB-BRWVUGGUSA-N 1 1 397.475 3.695 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC001226747408 1032109723 /nfs/dbraw/zinc/10/97/23/1032109723.db2.gz BKMDGMFIAWFPBJ-INIZCTEOSA-N 1 1 378.375 3.543 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001226804983 1032135401 /nfs/dbraw/zinc/13/54/01/1032135401.db2.gz UZMVEWKJKSDUFB-VBKZILBWSA-N 1 1 396.422 3.967 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000545845337 1016508831 /nfs/dbraw/zinc/50/88/31/1016508831.db2.gz RKSARIZKAAIOBY-RBUKOAKNSA-N 1 1 385.439 3.573 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000547277440 1016879133 /nfs/dbraw/zinc/87/91/33/1016879133.db2.gz JMOSDJGVVYIHSF-DOTOQJQBSA-N 1 1 399.466 3.791 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001227046201 1032251388 /nfs/dbraw/zinc/25/13/88/1032251388.db2.gz GFKXZHNTRBVUOY-MGPUTAFESA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001227048262 1032252435 /nfs/dbraw/zinc/25/24/35/1032252435.db2.gz IOBQNLVMDBQESL-QWFCFKBJSA-N 1 1 396.443 3.671 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001227296847 1032360042 /nfs/dbraw/zinc/36/00/42/1032360042.db2.gz BESGBUUVENKKGO-BEFAXECRSA-N 1 1 384.432 3.671 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000560526991 1017652732 /nfs/dbraw/zinc/65/27/32/1017652732.db2.gz JTZQZPPWOIKRSE-NRFANRHFSA-N 1 1 387.443 3.798 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560527783 1017653014 /nfs/dbraw/zinc/65/30/14/1017653014.db2.gz FEEGJDIRJGZIHL-VQTJNVASSA-N 1 1 385.512 3.662 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000560531406 1017654870 /nfs/dbraw/zinc/65/48/70/1017654870.db2.gz YCWBWWFKIMSQRT-LPHOPBHVSA-N 1 1 385.512 3.518 20 5 GHBDMO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)c1ccnc2c1ccc1cccnc12 ZINC001155810292 1032718143 /nfs/dbraw/zinc/71/81/43/1032718143.db2.gz JBTSUGFHBNAGHB-UHFFFAOYSA-N 1 1 384.483 3.987 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)c3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000561497180 1017870690 /nfs/dbraw/zinc/87/06/90/1017870690.db2.gz SCAWWLMULKFGTE-SFHVURJKSA-N 1 1 386.379 3.826 20 5 GHBDMO CCOc1ccc(CC[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000934725807 1018923310 /nfs/dbraw/zinc/92/33/10/1018923310.db2.gz MDEBESBXDXMAFG-UHFFFAOYSA-N 1 1 382.420 3.718 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000802654014 1021514811 /nfs/dbraw/zinc/51/48/11/1021514811.db2.gz DQMPEBIAJVDZRQ-XOYLTFLUSA-N 1 1 375.469 3.845 20 5 GHBDMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1OCC(=O)NC ZINC000748819378 1021722982 /nfs/dbraw/zinc/72/29/82/1021722982.db2.gz GRLUYDTUDGVDAH-KRWDZBQOSA-N 1 1 391.855 3.614 20 5 GHBDMO Cc1[nH]c(=O)cc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC001228689361 1033047300 /nfs/dbraw/zinc/04/73/00/1033047300.db2.gz SJDXRPGSDJKMBJ-GFCCVEGCSA-N 1 1 398.246 3.964 20 5 GHBDMO Cc1[nH]c(=O)cc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC001228689361 1033047315 /nfs/dbraw/zinc/04/73/15/1033047315.db2.gz SJDXRPGSDJKMBJ-GFCCVEGCSA-N 1 1 398.246 3.964 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000133181870 1022355047 /nfs/dbraw/zinc/35/50/47/1022355047.db2.gz RHLIZYKQAFNRES-UHFFFAOYSA-N 1 1 393.365 3.565 20 5 GHBDMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)s1 ZINC000754418677 1022692743 /nfs/dbraw/zinc/69/27/43/1022692743.db2.gz LAHDJAXRKXBXDJ-OAHLLOKOSA-N 1 1 380.857 3.693 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000755143188 1023094602 /nfs/dbraw/zinc/09/46/02/1023094602.db2.gz WOWYISOBVLISRB-PZJWPPBQSA-N 1 1 379.460 3.670 20 5 GHBDMO CCc1ccc(-c2noc([C@H](C)[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000755168159 1023106966 /nfs/dbraw/zinc/10/69/66/1023106966.db2.gz QWFNSXKVYVLAGG-SCLBCKFNSA-N 1 1 382.420 3.591 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000836782135 1023362956 /nfs/dbraw/zinc/36/29/56/1023362956.db2.gz WTHQGDNMVJMVTH-ZIAGYGMSSA-N 1 1 379.888 3.939 20 5 GHBDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000755762218 1023366768 /nfs/dbraw/zinc/36/67/68/1023366768.db2.gz MVBRDSGQAKLBFC-SFHVURJKSA-N 1 1 390.447 3.725 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[N@H+](C)Cc3ccccc32)cc1Cl ZINC000756952974 1023883468 /nfs/dbraw/zinc/88/34/68/1023883468.db2.gz GPGVSEQUCHWZKE-INIZCTEOSA-N 1 1 375.812 3.633 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1Cl ZINC000756952974 1023883478 /nfs/dbraw/zinc/88/34/78/1023883478.db2.gz GPGVSEQUCHWZKE-INIZCTEOSA-N 1 1 375.812 3.633 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229086264 1033270778 /nfs/dbraw/zinc/27/07/78/1033270778.db2.gz NZZNDSQYWWBFQL-TZMCWYRMSA-N 1 1 392.253 3.967 20 5 GHBDMO CC(=O)Nc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229127883 1033291471 /nfs/dbraw/zinc/29/14/71/1033291471.db2.gz DPENZTIHEVRQNP-ZSHCYNCHSA-N 1 1 389.452 3.538 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1F ZINC000839147128 1025645473 /nfs/dbraw/zinc/64/54/73/1025645473.db2.gz DGQRVIIORDTDAS-OAHLLOKOSA-N 1 1 376.350 3.915 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1F ZINC000839147128 1025645483 /nfs/dbraw/zinc/64/54/83/1025645483.db2.gz DGQRVIIORDTDAS-OAHLLOKOSA-N 1 1 376.350 3.915 20 5 GHBDMO O=[N+]([O-])c1cc2c(nc1NC[C@H]1CSCC[N@H+]1Cc1ccccc1)CCCC2 ZINC001163037111 1026020816 /nfs/dbraw/zinc/02/08/16/1026020816.db2.gz LEUYQYMHYAVUPG-SFHVURJKSA-N 1 1 398.532 3.898 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N[C@H](c2ccccc2)c2cccnn2)ncc1[N+](=O)[O-] ZINC001163108475 1026044791 /nfs/dbraw/zinc/04/47/91/1026044791.db2.gz JICBEHXMGJDIRG-ZAHGZRRWSA-N 1 1 376.420 3.514 20 5 GHBDMO Cc1cc(NC[C@H]2CCC[N@H+]2C2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163172639 1026075615 /nfs/dbraw/zinc/07/56/15/1026075615.db2.gz FVVQUCDFCXRCAN-HXUWFJFHSA-N 1 1 395.507 3.991 20 5 GHBDMO Cc1cc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163172638 1026075963 /nfs/dbraw/zinc/07/59/63/1026075963.db2.gz FVVQUCDFCXRCAN-FQEVSTJZSA-N 1 1 395.507 3.991 20 5 GHBDMO Cc1cccc(N2CCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC2)[nH+]1 ZINC001163660988 1026270496 /nfs/dbraw/zinc/27/04/96/1026270496.db2.gz XLGXFOMCHMZACO-UHFFFAOYSA-N 1 1 383.839 3.826 20 5 GHBDMO Cc1cc(N2CC[N@H+](C)C[C@H]2c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163674024 1026277384 /nfs/dbraw/zinc/27/73/84/1026277384.db2.gz HGACZCMCKHNOAO-FQEVSTJZSA-N 1 1 389.459 3.853 20 5 GHBDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001164061962 1026399491 /nfs/dbraw/zinc/39/94/91/1026399491.db2.gz ZCZFHNGYPRWSCL-QGZVFWFLSA-N 1 1 388.399 3.915 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001165202792 1026664389 /nfs/dbraw/zinc/66/43/89/1026664389.db2.gz OXKCXMRMGOBRCT-HOTGVXAUSA-N 1 1 377.448 3.637 20 5 GHBDMO O=[N+]([O-])c1cc(F)cnc1N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001166572140 1027030369 /nfs/dbraw/zinc/03/03/69/1027030369.db2.gz NRTDYTMCTCLGEJ-UHFFFAOYSA-N 1 1 387.802 3.657 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)c2c(Cl)c1 ZINC000840116596 1027225125 /nfs/dbraw/zinc/22/51/25/1027225125.db2.gz PYCLLDGCAPVSJV-USXIJHARSA-N 1 1 378.860 3.571 20 5 GHBDMO CC[NH+]1CCN(C(=O)c2ccc(NCc3c(C)ccc([N+](=O)[O-])c3C)cc2)CC1 ZINC001203517589 1027397315 /nfs/dbraw/zinc/39/73/15/1027397315.db2.gz XJJONQSKZPSLPF-UHFFFAOYSA-N 1 1 396.491 3.601 20 5 GHBDMO COC(=O)c1c(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001223294185 1030512537 /nfs/dbraw/zinc/51/25/37/1030512537.db2.gz JNEUOYXSQOYLMY-OXQOHEQNSA-N 1 1 398.459 3.809 20 5 GHBDMO C[NH2+][C@H]1C[C@H](Oc2c(CC=C(C)C)c(O)cc3oc4ccc(O)cc4c(=O)c32)C1 ZINC001217956080 1030687569 /nfs/dbraw/zinc/68/75/69/1030687569.db2.gz ISHPILUDDQXYAA-CTYIDZIISA-N 1 1 395.455 3.995 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001223871222 1030783779 /nfs/dbraw/zinc/78/37/79/1030783779.db2.gz XODNWGYGBOHYFS-QZTJIDSGSA-N 1 1 396.491 3.819 20 5 GHBDMO O=[N+]([O-])C[C@@H](OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC001224822791 1031136937 /nfs/dbraw/zinc/13/69/37/1031136937.db2.gz DEBQRANPZMVIHJ-PGRDOPGGSA-N 1 1 398.459 3.662 20 5 GHBDMO Nc1cc2nc3ccccc3nc2cc1Nc1cccc(CC[NH+]2CCOCC2)c1 ZINC001204380095 1031318494 /nfs/dbraw/zinc/31/84/94/1031318494.db2.gz RTSHWBKTCHPYAE-UHFFFAOYSA-N 1 1 399.498 3.984 20 5 GHBDMO Cc1ccc(N2CCC[C@H](Oc3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)[nH+]c1 ZINC001225893820 1031680096 /nfs/dbraw/zinc/68/00/96/1031680096.db2.gz ZAFZOTAVRFIDFP-ZDUSSCGKSA-N 1 1 382.342 3.760 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001205503548 1033443014 /nfs/dbraw/zinc/44/30/14/1033443014.db2.gz BSQLIMPPKGOQES-UHFFFAOYSA-N 1 1 393.443 3.954 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001206034507 1033696118 /nfs/dbraw/zinc/69/61/18/1033696118.db2.gz NNPNKQIIVDKDKD-QAPCUYQASA-N 1 1 382.464 3.942 20 5 GHBDMO C[C@H]1C[C@H](Oc2nc3ccc(NC(=O)C[NH+](C)C)cc3c3ccccc32)CCO1 ZINC001229808918 1033732481 /nfs/dbraw/zinc/73/24/81/1033732481.db2.gz VTTLVVSQXXHRRR-DOTOQJQBSA-N 1 1 393.487 3.834 20 5 GHBDMO C[NH+](C)CC(=O)Nc1ccc2nc(O[C@@H]3CCCCC3=O)c3ccccc3c2c1 ZINC001229808988 1033732789 /nfs/dbraw/zinc/73/27/89/1033732789.db2.gz YIERCRNANCKFFF-OAQYLSRUSA-N 1 1 391.471 3.779 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001230915920 1034286021 /nfs/dbraw/zinc/28/60/21/1034286021.db2.gz UFHCMTWKCRCIGV-MRXNPFEDSA-N 1 1 376.840 3.918 20 5 GHBDMO CCOC(=O)c1ccc(O[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001230918062 1034287207 /nfs/dbraw/zinc/28/72/07/1034287207.db2.gz LYXJWVGSXWWLNP-YWZLYKJASA-N 1 1 384.432 3.671 20 5 GHBDMO O=[N+]([O-])c1cc(Nc2ccc([C@@H](O)C[NH2+]CCc3ccccc3)cc2)ccc1O ZINC001160253489 1034918677 /nfs/dbraw/zinc/91/86/77/1034918677.db2.gz JFBBVUHGKJLREO-QFIPXVFZSA-N 1 1 393.443 3.910 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@]1(O)C(F)(F)F ZINC001232217880 1035167536 /nfs/dbraw/zinc/16/75/36/1035167536.db2.gz BAPILASLRGNKKR-ORAYPTAESA-N 1 1 375.394 3.918 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232224287 1035171233 /nfs/dbraw/zinc/17/12/33/1035171233.db2.gz GNPSSGJDIOYQQR-JLMWRMLUSA-N 1 1 375.472 3.947 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232224287 1035171239 /nfs/dbraw/zinc/17/12/39/1035171239.db2.gz GNPSSGJDIOYQQR-JLMWRMLUSA-N 1 1 375.472 3.947 20 5 GHBDMO C[NH+]1CCN(C(=O)c2cccc(-c3ccc4ccc5cccnc5c4n3)c2)CC1 ZINC001241876134 1035734191 /nfs/dbraw/zinc/73/41/91/1035734191.db2.gz DJCKKEIBMJXNFY-UHFFFAOYSA-N 1 1 382.467 3.838 20 5 GHBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001462118553 1070008129 /nfs/dbraw/zinc/00/81/29/1070008129.db2.gz PTILYUZEQCGBHP-IBGZPJMESA-N 1 1 397.475 3.535 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246619243 1037508731 /nfs/dbraw/zinc/50/87/31/1037508731.db2.gz JXFARIUFYVGSPR-RBBKRZOGSA-N 1 1 377.488 3.531 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246619243 1037508749 /nfs/dbraw/zinc/50/87/49/1037508749.db2.gz JXFARIUFYVGSPR-RBBKRZOGSA-N 1 1 377.488 3.531 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000510583146 1039286633 /nfs/dbraw/zinc/28/66/33/1039286633.db2.gz WGIAJTWFLNMAKA-UHFFFAOYSA-N 1 1 395.459 3.870 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001233708434 1039555763 /nfs/dbraw/zinc/55/57/63/1039555763.db2.gz UDVFSYBOBAYSPN-OAHLLOKOSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001233708434 1039555778 /nfs/dbraw/zinc/55/57/78/1039555778.db2.gz UDVFSYBOBAYSPN-OAHLLOKOSA-N 1 1 377.784 3.810 20 5 GHBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543618610 1039777102 /nfs/dbraw/zinc/77/71/02/1039777102.db2.gz YVTFRQVZHUZTDP-INIZCTEOSA-N 1 1 377.510 3.701 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001234050316 1039785702 /nfs/dbraw/zinc/78/57/02/1039785702.db2.gz HGNUPTULQKBSHB-QRWLVFNGSA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1[N+](=O)[O-] ZINC001234056035 1039788726 /nfs/dbraw/zinc/78/87/26/1039788726.db2.gz BNNGHTAPVBSFAC-LDQXTDLNSA-N 1 1 396.443 3.671 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001254550786 1040319122 /nfs/dbraw/zinc/31/91/22/1040319122.db2.gz QXBHSAQGCQILEZ-HZPDHXFCSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001254560043 1040332298 /nfs/dbraw/zinc/33/22/98/1040332298.db2.gz OTAAZCOVSCLLON-WBVHZDCISA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001254562747 1040337231 /nfs/dbraw/zinc/33/72/31/1040337231.db2.gz TYEPWCYXKHULRK-ZHRRBRCNSA-N 1 1 397.450 3.794 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2c(F)cccc2F)CC1 ZINC001254564388 1040338345 /nfs/dbraw/zinc/33/83/45/1040338345.db2.gz LAHBGNSUMBSDKN-OAHLLOKOSA-N 1 1 375.419 3.622 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595128 1040367670 /nfs/dbraw/zinc/36/76/70/1040367670.db2.gz VLLXRXNSGMXCAZ-WIYYLYMNSA-N 1 1 387.480 3.537 20 5 GHBDMO C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600600 1040371534 /nfs/dbraw/zinc/37/15/34/1040371534.db2.gz SPIJLAXAKLFBSP-IDHHARJASA-N 1 1 389.496 3.687 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001254608256 1040380997 /nfs/dbraw/zinc/38/09/97/1040380997.db2.gz QBBHISUANQEGOE-IEIRFRATSA-N 1 1 377.488 3.516 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001254608256 1040381008 /nfs/dbraw/zinc/38/10/08/1040381008.db2.gz QBBHISUANQEGOE-IEIRFRATSA-N 1 1 377.488 3.516 20 5 GHBDMO C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001254609812 1040381662 /nfs/dbraw/zinc/38/16/62/1040381662.db2.gz YPPAZJFWKRGKJU-GOSISDBHSA-N 1 1 389.496 3.783 20 5 GHBDMO CCC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611748 1040383305 /nfs/dbraw/zinc/38/33/05/1040383305.db2.gz SMUXTJKTIHXVAD-MOPGFXCFSA-N 1 1 389.496 3.783 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+]([C@H]4CCc5c4cccc5F)CC3)nc2c1 ZINC001255184347 1040891431 /nfs/dbraw/zinc/89/14/31/1040891431.db2.gz MRECLACLDNAXGB-FQEVSTJZSA-N 1 1 395.438 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc(OCCc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255427779 1041025186 /nfs/dbraw/zinc/02/51/86/1041025186.db2.gz MUAVQJYNHYSIBF-KRWDZBQOSA-N 1 1 394.431 3.589 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001292070652 1043581743 /nfs/dbraw/zinc/58/17/43/1043581743.db2.gz HGYFNKNLZNFHDH-WMZOPIPTSA-N 1 1 375.513 3.790 20 5 GHBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001258125808 1044413612 /nfs/dbraw/zinc/41/36/12/1044413612.db2.gz ZRGWWVTYEPRRRF-SCLBCKFNSA-N 1 1 378.835 3.618 20 5 GHBDMO CC[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001296188335 1045275508 /nfs/dbraw/zinc/27/55/08/1045275508.db2.gz HFBCRWYKCQGGDU-FXAWDEMLSA-N 1 1 381.476 3.821 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@](CO)(C(C)C)C2)cc1OC ZINC001261200213 1045917162 /nfs/dbraw/zinc/91/71/62/1045917162.db2.gz PXVVBCNPNBIZRT-KKSFZXQISA-N 1 1 394.512 3.869 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001301883137 1046744716 /nfs/dbraw/zinc/74/47/16/1046744716.db2.gz UJWNJUXLLNVNRX-PBHICJAKSA-N 1 1 387.867 3.889 20 5 GHBDMO COc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c([N+](=O)[O-])c1 ZINC001263646508 1047019340 /nfs/dbraw/zinc/01/93/40/1047019340.db2.gz BFXMHPCBDBCSJD-UHFFFAOYSA-N 1 1 399.382 3.558 20 5 GHBDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC001307497309 1049336504 /nfs/dbraw/zinc/33/65/04/1049336504.db2.gz RPCYCJGAPMHNTR-IFXJQAMLSA-N 1 1 383.448 3.859 20 5 GHBDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC001307497309 1049336514 /nfs/dbraw/zinc/33/65/14/1049336514.db2.gz RPCYCJGAPMHNTR-IFXJQAMLSA-N 1 1 383.448 3.859 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001307507598 1049348143 /nfs/dbraw/zinc/34/81/43/1049348143.db2.gz VLDSGONKTJSXCZ-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001307507598 1049348151 /nfs/dbraw/zinc/34/81/51/1049348151.db2.gz VLDSGONKTJSXCZ-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO C[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001289347218 1049433939 /nfs/dbraw/zinc/43/39/39/1049433939.db2.gz HTALRZUKPHFGCU-SCLBCKFNSA-N 1 1 375.856 3.771 20 5 GHBDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307856744 1049638725 /nfs/dbraw/zinc/63/87/25/1049638725.db2.gz KGSHFTXOXSOMNX-HOTGVXAUSA-N 1 1 378.469 3.806 20 5 GHBDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001308057581 1049806266 /nfs/dbraw/zinc/80/62/66/1049806266.db2.gz OKFFBYDIXKKNAS-RTWAWAEBSA-N 1 1 387.455 3.536 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001308070287 1049817636 /nfs/dbraw/zinc/81/76/36/1049817636.db2.gz ZSKPQRODHMSQIC-QGZVFWFLSA-N 1 1 389.496 3.782 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001308070287 1049817647 /nfs/dbraw/zinc/81/76/47/1049817647.db2.gz ZSKPQRODHMSQIC-QGZVFWFLSA-N 1 1 389.496 3.782 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001308121305 1049863942 /nfs/dbraw/zinc/86/39/42/1049863942.db2.gz GLLLEYCTWWRGHG-QIBOZCLASA-N 1 1 377.444 3.662 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H]1/C=C\c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001308121305 1049863950 /nfs/dbraw/zinc/86/39/50/1049863950.db2.gz GLLLEYCTWWRGHG-QIBOZCLASA-N 1 1 377.444 3.662 20 5 GHBDMO CCn1nncc1C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001308472671 1049984225 /nfs/dbraw/zinc/98/42/25/1049984225.db2.gz SZOUONRTQCGZBS-UHFFFAOYSA-N 1 1 387.827 3.942 20 5 GHBDMO COc1c(O)ccc(C[NH+]2CCC(N3c4ccccc4C[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC001308584044 1050019490 /nfs/dbraw/zinc/01/94/90/1050019490.db2.gz FMLSLXVBICVVMI-HNNXBMFYSA-N 1 1 397.475 3.725 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC001308758318 1050085050 /nfs/dbraw/zinc/08/50/50/1050085050.db2.gz OGDVJGQIYYYNNE-UHFFFAOYSA-N 1 1 382.386 3.821 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC001308758318 1050085056 /nfs/dbraw/zinc/08/50/56/1050085056.db2.gz OGDVJGQIYYYNNE-UHFFFAOYSA-N 1 1 382.386 3.821 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC001330660990 1051058578 /nfs/dbraw/zinc/05/85/78/1051058578.db2.gz HHOUGIFEWACSDD-CQSZACIVSA-N 1 1 382.420 3.716 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC001310595573 1051475561 /nfs/dbraw/zinc/47/55/61/1051475561.db2.gz ZDODLHOAIPBKLA-UHFFFAOYSA-N 1 1 382.464 3.815 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001312024256 1052535357 /nfs/dbraw/zinc/53/53/57/1052535357.db2.gz KDOJXIKGZBAFKZ-XLIONFOSSA-N 1 1 396.491 3.928 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC001317893500 1054295111 /nfs/dbraw/zinc/29/51/11/1054295111.db2.gz MTPWICHTCKBONZ-INIZCTEOSA-N 1 1 396.491 3.798 20 5 GHBDMO Cc1cc(CN2CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)no1 ZINC001319716338 1055418600 /nfs/dbraw/zinc/41/86/00/1055418600.db2.gz MWMGQAPNZGDCMI-UHFFFAOYSA-N 1 1 396.447 3.859 20 5 GHBDMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)n1 ZINC001320383092 1055780374 /nfs/dbraw/zinc/78/03/74/1055780374.db2.gz VDAHNOLLUQXAMA-HNNXBMFYSA-N 1 1 380.857 3.693 20 5 GHBDMO CC[N@H+]1CCC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC001321269086 1056201600 /nfs/dbraw/zinc/20/16/00/1056201600.db2.gz WINSOYXGTRMGRI-GFCCVEGCSA-N 1 1 399.289 3.519 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001300706624 1056924130 /nfs/dbraw/zinc/92/41/30/1056924130.db2.gz XULZOSATBOLEKH-OAHLLOKOSA-N 1 1 383.448 3.990 20 5 GHBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001472843481 1056944719 /nfs/dbraw/zinc/94/47/19/1056944719.db2.gz ISVXQBQBBWERLJ-FQEVSTJZSA-N 1 1 391.418 3.606 20 5 GHBDMO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(C)(C)C1 ZINC001323605128 1056990628 /nfs/dbraw/zinc/99/06/28/1056990628.db2.gz GLHSGLWCYSEYDP-UHFFFAOYSA-N 1 1 391.855 3.951 20 5 GHBDMO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(C)(C)C1 ZINC001323605128 1056990631 /nfs/dbraw/zinc/99/06/31/1056990631.db2.gz GLHSGLWCYSEYDP-UHFFFAOYSA-N 1 1 391.855 3.951 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477256 1057114527 /nfs/dbraw/zinc/11/45/27/1057114527.db2.gz SDVUEASHLVSEKS-AZUAARDMSA-N 1 1 395.459 3.714 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477256 1057114530 /nfs/dbraw/zinc/11/45/30/1057114530.db2.gz SDVUEASHLVSEKS-AZUAARDMSA-N 1 1 395.459 3.714 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001325469384 1057331999 /nfs/dbraw/zinc/33/19/99/1057331999.db2.gz JPBYMHAEKUSLNI-IBGZPJMESA-N 1 1 394.431 3.835 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001325469384 1057332006 /nfs/dbraw/zinc/33/20/06/1057332006.db2.gz JPBYMHAEKUSLNI-IBGZPJMESA-N 1 1 394.431 3.835 20 5 GHBDMO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001356354818 1057486336 /nfs/dbraw/zinc/48/63/36/1057486336.db2.gz LGTAMMDZCPHZCA-SJORKVTESA-N 1 1 399.466 3.788 20 5 GHBDMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001338886744 1058857356 /nfs/dbraw/zinc/85/73/56/1058857356.db2.gz IEZPMOJXABTFKV-OAQYLSRUSA-N 1 1 381.476 3.916 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001442662805 1058990708 /nfs/dbraw/zinc/99/07/08/1058990708.db2.gz MDGXSKJCOWVKND-IJEWVQPXSA-N 1 1 379.888 3.655 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001444843327 1059394255 /nfs/dbraw/zinc/39/42/55/1059394255.db2.gz GMVWAFUNQKBSRP-IBGZPJMESA-N 1 1 385.439 3.951 20 5 GHBDMO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001454438260 1061778494 /nfs/dbraw/zinc/77/84/94/1061778494.db2.gz HPQZEHWMPFFZKR-HNNXBMFYSA-N 1 1 391.830 3.526 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001435655775 1062816625 /nfs/dbraw/zinc/81/66/25/1062816625.db2.gz BOENTXLVFQWLSW-ZLGUVYLKSA-N 1 1 397.450 3.764 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC001348844839 1063351158 /nfs/dbraw/zinc/35/11/58/1063351158.db2.gz QWNCOYKPRUTQTO-SFHVURJKSA-N 1 1 392.456 3.869 20 5 GHBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C[C@@H]21 ZINC001436341982 1063395436 /nfs/dbraw/zinc/39/54/36/1063395436.db2.gz YCYOFCNCBXEIFX-QAPCUYQASA-N 1 1 389.521 3.653 20 5 GHBDMO CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)ccc21 ZINC001436381491 1063416522 /nfs/dbraw/zinc/41/65/22/1063416522.db2.gz IACQPEUNNXXFBP-RBUKOAKNSA-N 1 1 376.416 3.951 20 5 GHBDMO C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC001458372365 1063768776 /nfs/dbraw/zinc/76/87/76/1063768776.db2.gz YHXITGAVQSVWPX-MRXNPFEDSA-N 1 1 390.281 3.720 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001458594212 1063902017 /nfs/dbraw/zinc/90/20/17/1063902017.db2.gz ZMTZUDHMLSHKMG-LJQANCHMSA-N 1 1 388.427 3.573 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001458594212 1063902022 /nfs/dbraw/zinc/90/20/22/1063902022.db2.gz ZMTZUDHMLSHKMG-LJQANCHMSA-N 1 1 388.427 3.573 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC001458870759 1063952301 /nfs/dbraw/zinc/95/23/01/1063952301.db2.gz CCMDDUTXLFDAOG-CABCVRRESA-N 1 1 386.477 3.560 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC001458870759 1063952305 /nfs/dbraw/zinc/95/23/05/1063952305.db2.gz CCMDDUTXLFDAOG-CABCVRRESA-N 1 1 386.477 3.560 20 5 GHBDMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cc(Cl)ccc2F)c([N+](=O)[O-])c1 ZINC001459817609 1064230639 /nfs/dbraw/zinc/23/06/39/1064230639.db2.gz OOMXEJVAFRMYPY-SNVBAGLBSA-N 1 1 381.791 3.685 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001353722064 1066196018 /nfs/dbraw/zinc/19/60/18/1066196018.db2.gz ZBJUOIBRWDHQAQ-QGZVFWFLSA-N 1 1 381.476 3.867 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001353722064 1066196020 /nfs/dbraw/zinc/19/60/20/1066196020.db2.gz ZBJUOIBRWDHQAQ-QGZVFWFLSA-N 1 1 381.476 3.867 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001469895026 1068454723 /nfs/dbraw/zinc/45/47/23/1068454723.db2.gz KINOHBJVJHRZCI-LJQANCHMSA-N 1 1 381.476 3.601 20 5 GHBDMO Cc1c(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001460750185 1069154593 /nfs/dbraw/zinc/15/45/93/1069154593.db2.gz JCTCBWURTZPELI-OXJNMPFZSA-N 1 1 375.469 3.592 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC001460797043 1069185252 /nfs/dbraw/zinc/18/52/52/1069185252.db2.gz WMJKYZYTDPHCTC-HNNXBMFYSA-N 1 1 388.493 3.561 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC001460797043 1069185259 /nfs/dbraw/zinc/18/52/59/1069185259.db2.gz WMJKYZYTDPHCTC-HNNXBMFYSA-N 1 1 388.493 3.561 20 5 GHBDMO Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001471242156 1072980944 /nfs/dbraw/zinc/98/09/44/1072980944.db2.gz FFVJEBMRMIOSSW-LJQANCHMSA-N 1 1 385.439 3.713 20 5 GHBDMO Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001471242156 1072980948 /nfs/dbraw/zinc/98/09/48/1072980948.db2.gz FFVJEBMRMIOSSW-LJQANCHMSA-N 1 1 385.439 3.713 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(NCCC[N@H+]2CCc3ccccc3C2)cc1C ZINC001472655149 1073598536 /nfs/dbraw/zinc/59/85/36/1073598536.db2.gz AQICIRDHNIYNGN-UHFFFAOYSA-N 1 1 397.475 3.940 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001472745878 1073647597 /nfs/dbraw/zinc/64/75/97/1073647597.db2.gz CBBLARBTKDJTPZ-UHFFFAOYSA-N 1 1 394.822 3.720 20 5 GHBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001472798905 1073670679 /nfs/dbraw/zinc/67/06/79/1073670679.db2.gz BDBPQPQPWNIEGM-FOIQADDNSA-N 1 1 394.475 3.562 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3ncc([N+](=O)[O-])c4ccccc43)C2)cc1 ZINC001472855715 1073695215 /nfs/dbraw/zinc/69/52/15/1073695215.db2.gz MRADLWHXVWEHEL-SFHVURJKSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3ncc([N+](=O)[O-])c4ccccc43)C2)cc1 ZINC001472855715 1073695216 /nfs/dbraw/zinc/69/52/16/1073695216.db2.gz MRADLWHXVWEHEL-SFHVURJKSA-N 1 1 392.459 3.764 20 5 GHBDMO CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc2C1 ZINC001473119913 1073789906 /nfs/dbraw/zinc/78/99/06/1073789906.db2.gz PCEWONATFNFCLV-HXUWFJFHSA-N 1 1 393.487 3.753 20 5 GHBDMO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473198553 1073850941 /nfs/dbraw/zinc/85/09/41/1073850941.db2.gz NRBXXABGGHINEW-VBKZILBWSA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473198553 1073850952 /nfs/dbraw/zinc/85/09/52/1073850952.db2.gz NRBXXABGGHINEW-VBKZILBWSA-N 1 1 383.423 3.706 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCCCC2 ZINC001473199182 1073851577 /nfs/dbraw/zinc/85/15/77/1073851577.db2.gz DZEVGEYFRXFRCW-RBUKOAKNSA-N 1 1 389.496 3.901 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001473220796 1073868405 /nfs/dbraw/zinc/86/84/05/1073868405.db2.gz MHXKCDNSFFGOGT-SFHVURJKSA-N 1 1 396.491 3.962 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC001473290029 1073908909 /nfs/dbraw/zinc/90/89/09/1073908909.db2.gz SZAUFNNQKJNENU-HRCADAONSA-N 1 1 379.501 3.553 20 5 GHBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1OC(F)F ZINC001473316399 1073917436 /nfs/dbraw/zinc/91/74/36/1073917436.db2.gz KGSDUHGCZCBMQY-SNVBAGLBSA-N 1 1 383.326 3.625 20 5 GHBDMO Cc1cc(C)cc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC001473364467 1073936661 /nfs/dbraw/zinc/93/66/61/1073936661.db2.gz OPRCDPHUXYAGCI-UHFFFAOYSA-N 1 1 379.464 3.800 20 5 GHBDMO COc1ccc(C[N@H+](CCc2ccccn2)Cc2cccnc2[N+](=O)[O-])cc1 ZINC001473443312 1073965103 /nfs/dbraw/zinc/96/51/03/1073965103.db2.gz DSMQZJKLRXWEGW-UHFFFAOYSA-N 1 1 378.432 3.638 20 5 GHBDMO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2cccnc2[N+](=O)[O-])cc1 ZINC001473443312 1073965108 /nfs/dbraw/zinc/96/51/08/1073965108.db2.gz DSMQZJKLRXWEGW-UHFFFAOYSA-N 1 1 378.432 3.638 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473507326 1073994045 /nfs/dbraw/zinc/99/40/45/1073994045.db2.gz XGICMXMHKULCOE-GQIGUUNPSA-N 1 1 379.460 3.750 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC3(CCSCC3)CC2)cccc1[N+](=O)[O-] ZINC001473694561 1074091599 /nfs/dbraw/zinc/09/15/99/1074091599.db2.gz MTLQKCPANYXSQV-HNNXBMFYSA-N 1 1 377.510 3.839 20 5 GHBDMO COC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC001473736614 1074116563 /nfs/dbraw/zinc/11/65/63/1074116563.db2.gz WHFTTXUZXDLRQU-OAHLLOKOSA-N 1 1 395.253 3.843 20 5 GHBDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473772242 1074134607 /nfs/dbraw/zinc/13/46/07/1074134607.db2.gz YMMOZAANTXSUNW-LEWJYISDSA-N 1 1 387.455 3.536 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001474612579 1074484167 /nfs/dbraw/zinc/48/41/67/1074484167.db2.gz MCGXLADQPBRUQG-GOTSBHOMSA-N 1 1 395.503 3.687 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825961459 608525748 /nfs/dbraw/zinc/52/57/48/608525748.db2.gz FSZKDCXAQXEGQA-UHFFFAOYSA-N 1 1 390.403 3.667 20 5 GHBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164650515 719310643 /nfs/dbraw/zinc/31/06/43/719310643.db2.gz YVPNNZNBMQYWSD-UHFFFAOYSA-N 1 1 394.479 3.545 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721769 720375156 /nfs/dbraw/zinc/37/51/56/720375156.db2.gz AYQRNGKMTDIZGS-KGLIPLIRSA-N 1 1 394.262 3.545 20 5 GHBDMO CCc1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164769829 721300598 /nfs/dbraw/zinc/30/05/98/721300598.db2.gz ODNXVXZFCQFJHN-UHFFFAOYSA-N 1 1 393.491 3.536 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000177997208 837534080 /nfs/dbraw/zinc/53/40/80/837534080.db2.gz HWJLUYLDBPMQLF-PZJWPPBQSA-N 1 1 397.475 3.562 20 5 GHBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000188812591 837723816 /nfs/dbraw/zinc/72/38/16/837723816.db2.gz LJRDKVNZFPOSKQ-CQSZACIVSA-N 1 1 380.828 3.746 20 5 GHBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000188812610 837724284 /nfs/dbraw/zinc/72/42/84/837724284.db2.gz LJRDKVNZFPOSKQ-AWEZNQCLSA-N 1 1 380.828 3.746 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccc3ccccc3c1)C2 ZINC000581873167 837737829 /nfs/dbraw/zinc/73/78/29/837737829.db2.gz UYMCUGIYRPPVGX-LJQANCHMSA-N 1 1 378.428 3.546 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)COc1ccc3ccccc3c1)C2 ZINC000581873167 837737836 /nfs/dbraw/zinc/73/78/36/837737836.db2.gz UYMCUGIYRPPVGX-LJQANCHMSA-N 1 1 378.428 3.546 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1 ZINC000176885923 837780453 /nfs/dbraw/zinc/78/04/53/837780453.db2.gz ISNCSDPNROGIQA-UHFFFAOYSA-N 1 1 382.464 3.566 20 5 GHBDMO COc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000157499879 834653111 /nfs/dbraw/zinc/65/31/11/834653111.db2.gz FHZMUUSBLYQHRS-MRXNPFEDSA-N 1 1 389.496 3.720 20 5 GHBDMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3OC)ccc2NC1=O ZINC000430207123 835089108 /nfs/dbraw/zinc/08/91/08/835089108.db2.gz YUEKHOXUDGVCBQ-YVEFUNNKSA-N 1 1 385.420 3.564 20 5 GHBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179000139 835233777 /nfs/dbraw/zinc/23/37/77/835233777.db2.gz AAAONVYOXIXASW-CXAGYDPISA-N 1 1 385.489 3.898 20 5 GHBDMO CC1(C)C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)Cc2ccccc21 ZINC000536179188 835362394 /nfs/dbraw/zinc/36/23/94/835362394.db2.gz HUZDGNMQERBHCA-UHFFFAOYSA-N 1 1 381.432 3.686 20 5 GHBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169324 835362612 /nfs/dbraw/zinc/36/26/12/835362612.db2.gz NRLFOBQXFIRLIV-LJQANCHMSA-N 1 1 393.447 3.746 20 5 GHBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169324 835362625 /nfs/dbraw/zinc/36/26/25/835362625.db2.gz NRLFOBQXFIRLIV-LJQANCHMSA-N 1 1 393.447 3.746 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179316946 835521415 /nfs/dbraw/zinc/52/14/15/835521415.db2.gz YTSUEIQSUKKPLC-IEBWSBKVSA-N 1 1 385.489 3.882 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000274868159 835730306 /nfs/dbraw/zinc/73/03/06/835730306.db2.gz DCAOFGWRMZDNQO-UHFFFAOYSA-N 1 1 375.860 3.556 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179549562 835867962 /nfs/dbraw/zinc/86/79/62/835867962.db2.gz NFBAQKWLJFAHAB-UHFFFAOYSA-N 1 1 394.475 3.645 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120668737 835999738 /nfs/dbraw/zinc/99/97/38/835999738.db2.gz FHGDEPIKBIMEOK-UHFFFAOYSA-N 1 1 393.447 3.598 20 5 GHBDMO COc1cc(CN2CCC[N@@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000510153966 836025040 /nfs/dbraw/zinc/02/50/40/836025040.db2.gz FDAAHYMRSRKGOO-UHFFFAOYSA-N 1 1 391.512 3.700 20 5 GHBDMO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCC2 ZINC000365009002 836154640 /nfs/dbraw/zinc/15/46/40/836154640.db2.gz DRAIIDFALPXKDU-IBGZPJMESA-N 1 1 396.447 3.865 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000134875943 836159574 /nfs/dbraw/zinc/15/95/74/836159574.db2.gz JKUKQUDSRCPXHX-GOEBONIOSA-N 1 1 385.489 3.710 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1Cl ZINC000582086264 836244508 /nfs/dbraw/zinc/24/45/08/836244508.db2.gz PELJJPNZEGWAHJ-UHFFFAOYSA-N 1 1 383.782 3.769 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000173693181 836252158 /nfs/dbraw/zinc/25/21/58/836252158.db2.gz XASZVGBPDMPEAE-OAHLLOKOSA-N 1 1 385.464 3.803 20 5 GHBDMO C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000612474033 836275153 /nfs/dbraw/zinc/27/51/53/836275153.db2.gz IAYKDWQDAWVVJN-JKSUJKDBSA-N 1 1 385.439 3.570 20 5 GHBDMO C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000612474033 836275162 /nfs/dbraw/zinc/27/51/62/836275162.db2.gz IAYKDWQDAWVVJN-JKSUJKDBSA-N 1 1 385.439 3.570 20 5 GHBDMO O=[N+]([O-])c1ccc(CCN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000136675177 836311907 /nfs/dbraw/zinc/31/19/07/836311907.db2.gz ARGBUIHIVWORAT-MRXNPFEDSA-N 1 1 391.353 3.653 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000179959249 836466189 /nfs/dbraw/zinc/46/61/89/836466189.db2.gz OGPAFEXAKJJECJ-AWEZNQCLSA-N 1 1 389.477 3.882 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000179959249 836466195 /nfs/dbraw/zinc/46/61/95/836466195.db2.gz OGPAFEXAKJJECJ-AWEZNQCLSA-N 1 1 389.477 3.882 20 5 GHBDMO CC(=O)NCC[N@@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000582607195 836493021 /nfs/dbraw/zinc/49/30/21/836493021.db2.gz ZDBDODMNTJOSEB-UHFFFAOYSA-N 1 1 377.828 3.608 20 5 GHBDMO CC(=O)NCC[N@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000582607195 836493027 /nfs/dbraw/zinc/49/30/27/836493027.db2.gz ZDBDODMNTJOSEB-UHFFFAOYSA-N 1 1 377.828 3.608 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1C(F)(F)F ZINC000302056483 861190672 /nfs/dbraw/zinc/19/06/72/861190672.db2.gz QSPJTORKPRALSN-INIZCTEOSA-N 1 1 395.381 3.792 20 5 GHBDMO C[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000180192402 836600356 /nfs/dbraw/zinc/60/03/56/836600356.db2.gz MBQMYOAFVACKPU-INIZCTEOSA-N 1 1 381.226 3.574 20 5 GHBDMO CC(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000471275488 836737516 /nfs/dbraw/zinc/73/75/16/836737516.db2.gz AQFJLTTYTRREOV-GOSISDBHSA-N 1 1 381.476 3.970 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000175717958 836958861 /nfs/dbraw/zinc/95/88/61/836958861.db2.gz GSNJUXSPOSNVQE-CYBMUJFWSA-N 1 1 395.419 3.980 20 5 GHBDMO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120534408 844226315 /nfs/dbraw/zinc/22/63/15/844226315.db2.gz TZYPBHZKPWIGKO-UHFFFAOYSA-N 1 1 388.855 3.988 20 5 GHBDMO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120534408 844226322 /nfs/dbraw/zinc/22/63/22/844226322.db2.gz TZYPBHZKPWIGKO-UHFFFAOYSA-N 1 1 388.855 3.988 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000186206640 837091747 /nfs/dbraw/zinc/09/17/47/837091747.db2.gz RMNRGEICISDEMX-INIZCTEOSA-N 1 1 391.537 3.949 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000613022451 837102897 /nfs/dbraw/zinc/10/28/97/837102897.db2.gz CLURXBXTYFDERB-GOSISDBHSA-N 1 1 399.466 3.744 20 5 GHBDMO C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC000175779333 837852464 /nfs/dbraw/zinc/85/24/64/837852464.db2.gz WKPDYPBEYJDQGW-MAUKXSAKSA-N 1 1 394.475 3.945 20 5 GHBDMO COC(=O)c1cc(NCCc2[nH+]ccn2Cc2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000177537461 837973804 /nfs/dbraw/zinc/97/38/04/837973804.db2.gz JWODYPLGVNUIEK-UHFFFAOYSA-N 1 1 394.431 3.589 20 5 GHBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(N2CCCC2=O)cc1 ZINC000181363401 838016120 /nfs/dbraw/zinc/01/61/20/838016120.db2.gz NKQUSOJJCFNPRB-ZDUSSCGKSA-N 1 1 380.404 3.714 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@H](SCC)C2)c([N+](=O)[O-])c1 ZINC000480887521 838278431 /nfs/dbraw/zinc/27/84/31/838278431.db2.gz YNPOJIVJMMGNGG-HNNXBMFYSA-N 1 1 381.498 3.540 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@H](SCC)C2)c([N+](=O)[O-])c1 ZINC000480887521 838278436 /nfs/dbraw/zinc/27/84/36/838278436.db2.gz YNPOJIVJMMGNGG-HNNXBMFYSA-N 1 1 381.498 3.540 20 5 GHBDMO CC[C@](C)(O)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000189720627 838387409 /nfs/dbraw/zinc/38/74/09/838387409.db2.gz MXYXRBXQNUNYHE-NRFANRHFSA-N 1 1 396.447 3.808 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000189720627 838387414 /nfs/dbraw/zinc/38/74/14/838387414.db2.gz MXYXRBXQNUNYHE-NRFANRHFSA-N 1 1 396.447 3.808 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103469122 838423552 /nfs/dbraw/zinc/42/35/52/838423552.db2.gz OHCVVWWNNFSCBO-GFCCVEGCSA-N 1 1 392.818 3.633 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103469122 838423555 /nfs/dbraw/zinc/42/35/55/838423555.db2.gz OHCVVWWNNFSCBO-GFCCVEGCSA-N 1 1 392.818 3.633 20 5 GHBDMO O=C(CC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000549408456 838733413 /nfs/dbraw/zinc/73/34/13/838733413.db2.gz NDKUPXZIDDLHHL-IBGZPJMESA-N 1 1 375.375 3.633 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@](F)(c2ccccc2F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000549408456 838733421 /nfs/dbraw/zinc/73/34/21/838733421.db2.gz NDKUPXZIDDLHHL-IBGZPJMESA-N 1 1 375.375 3.633 20 5 GHBDMO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[N@@H+](C)C1CC1 ZINC000275760759 838757173 /nfs/dbraw/zinc/75/71/73/838757173.db2.gz FOELSZCEYSPAEJ-NSHDSACASA-N 1 1 385.414 3.584 20 5 GHBDMO CCN1CC[NH+](Cc2ccc(CNc3ccc(C(C)=O)cc3[N+](=O)[O-])cc2)CC1 ZINC000047272517 839069283 /nfs/dbraw/zinc/06/92/83/839069283.db2.gz SRSYUQGOVHINOZ-UHFFFAOYSA-N 1 1 396.491 3.547 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000431868414 839126224 /nfs/dbraw/zinc/12/62/24/839126224.db2.gz BGNNIWJDFJYBGM-CALCHBBNSA-N 1 1 390.528 3.887 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(n4cc(Cl)cn4)CC3)co2)cc1 ZINC000378586645 839375809 /nfs/dbraw/zinc/37/58/09/839375809.db2.gz GNJAQZDFPHDLKC-UHFFFAOYSA-N 1 1 387.827 3.937 20 5 GHBDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134222612 839437117 /nfs/dbraw/zinc/43/71/17/839437117.db2.gz VIYBYEOITOMBQC-SGTLLEGYSA-N 1 1 389.839 3.511 20 5 GHBDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134222612 839437124 /nfs/dbraw/zinc/43/71/24/839437124.db2.gz VIYBYEOITOMBQC-SGTLLEGYSA-N 1 1 389.839 3.511 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000378633289 839451260 /nfs/dbraw/zinc/45/12/60/839451260.db2.gz MLBHNXIMPUWYDM-CYBMUJFWSA-N 1 1 392.374 3.545 20 5 GHBDMO C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000302066577 861191533 /nfs/dbraw/zinc/19/15/33/861191533.db2.gz WHDRCPSYWNJFAZ-VXGBXAGGSA-N 1 1 383.290 3.817 20 5 GHBDMO C[C@]1(C[NH3+])CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000261696577 839580418 /nfs/dbraw/zinc/58/04/18/839580418.db2.gz HUWNFQSAYOPURR-QGZVFWFLSA-N 1 1 394.269 3.788 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610445690 839746639 /nfs/dbraw/zinc/74/66/39/839746639.db2.gz DQSPEGJHPXRZPC-SFHVURJKSA-N 1 1 395.503 3.995 20 5 GHBDMO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000255693239 840019290 /nfs/dbraw/zinc/01/92/90/840019290.db2.gz DADJZRJKMCEEJQ-VURMDHGXSA-N 1 1 396.447 3.527 20 5 GHBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000255693239 840019295 /nfs/dbraw/zinc/01/92/95/840019295.db2.gz DADJZRJKMCEEJQ-VURMDHGXSA-N 1 1 396.447 3.527 20 5 GHBDMO C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000312746013 840230445 /nfs/dbraw/zinc/23/04/45/840230445.db2.gz YQLYWTFAHSYNAI-HXUWFJFHSA-N 1 1 387.867 3.890 20 5 GHBDMO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349836 840748309 /nfs/dbraw/zinc/74/83/09/840748309.db2.gz MVFLBGRWKLOBID-NRFANRHFSA-N 1 1 398.507 3.878 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000573511871 844580277 /nfs/dbraw/zinc/58/02/77/844580277.db2.gz LIPAWKCEVMFSNV-NRFANRHFSA-N 1 1 391.475 3.676 20 5 GHBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312950146 840947415 /nfs/dbraw/zinc/94/74/15/840947415.db2.gz HWTSZOCDFVUWOQ-YOEHRIQHSA-N 1 1 387.867 3.889 20 5 GHBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312950141 840947486 /nfs/dbraw/zinc/94/74/86/840947486.db2.gz HWTSZOCDFVUWOQ-RHSMWYFYSA-N 1 1 387.867 3.889 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000120622827 844622616 /nfs/dbraw/zinc/62/26/16/844622616.db2.gz PXJWQVOCVWUECR-UHFFFAOYSA-N 1 1 383.448 3.850 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302129107 861211873 /nfs/dbraw/zinc/21/18/73/861211873.db2.gz BLDDMDHQYNWQNT-HZPDHXFCSA-N 1 1 379.823 3.813 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302129107 861211892 /nfs/dbraw/zinc/21/18/92/861211892.db2.gz BLDDMDHQYNWQNT-HZPDHXFCSA-N 1 1 379.823 3.813 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2)C1 ZINC000603812842 861215659 /nfs/dbraw/zinc/21/56/59/861215659.db2.gz KWDIUDHKYXDBIE-AWEZNQCLSA-N 1 1 397.431 3.808 20 5 GHBDMO COc1ccc([C@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000026918937 842174270 /nfs/dbraw/zinc/17/42/70/842174270.db2.gz HMNXBMHZLIPAMU-AWEZNQCLSA-N 1 1 387.436 3.634 20 5 GHBDMO CC(C)(C)c1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000569530004 842209774 /nfs/dbraw/zinc/20/97/74/842209774.db2.gz FXKOXVKIZXHPBW-UZLBHIALSA-N 1 1 386.452 3.868 20 5 GHBDMO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000510472149 842419602 /nfs/dbraw/zinc/41/96/02/842419602.db2.gz LXRSGUDRKHMKFW-UHFFFAOYSA-N 1 1 377.448 3.616 20 5 GHBDMO C[C@@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581918548 842685944 /nfs/dbraw/zinc/68/59/44/842685944.db2.gz DPEBRQZBCCOLAT-QZTJIDSGSA-N 1 1 381.476 3.821 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000107690921 842876805 /nfs/dbraw/zinc/87/68/05/842876805.db2.gz LYEQBTFDPOWTSD-IYBDPMFKSA-N 1 1 384.432 3.561 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000107690921 842876812 /nfs/dbraw/zinc/87/68/12/842876812.db2.gz LYEQBTFDPOWTSD-IYBDPMFKSA-N 1 1 384.432 3.561 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000120357295 843046030 /nfs/dbraw/zinc/04/60/30/843046030.db2.gz QZFSNYHZZFGDDH-GHMZBOCLSA-N 1 1 379.363 3.559 20 5 GHBDMO COc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510643736 843121176 /nfs/dbraw/zinc/12/11/76/843121176.db2.gz HNHYHIPKDUEINS-VQTJNVASSA-N 1 1 398.459 3.936 20 5 GHBDMO COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510643736 843121189 /nfs/dbraw/zinc/12/11/89/843121189.db2.gz HNHYHIPKDUEINS-VQTJNVASSA-N 1 1 398.459 3.936 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430881196 843124316 /nfs/dbraw/zinc/12/43/16/843124316.db2.gz ZBKRAWCXUOJIOH-UMEYKSNOSA-N 1 1 379.460 3.983 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477799634 843241410 /nfs/dbraw/zinc/24/14/10/843241410.db2.gz MEZJQEVFXSROMK-BRLLKYFNSA-N 1 1 399.466 3.549 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000510715508 843266366 /nfs/dbraw/zinc/26/63/66/843266366.db2.gz CXTDEPFADPCGSV-OAQYLSRUSA-N 1 1 381.476 3.716 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431017681 843435039 /nfs/dbraw/zinc/43/50/39/843435039.db2.gz BPKMLKWRIBVJGW-UHFFFAOYSA-N 1 1 398.301 3.694 20 5 GHBDMO CCOc1cc(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000276848621 843557235 /nfs/dbraw/zinc/55/72/35/843557235.db2.gz DHXWVQZJMWLMCA-UHFFFAOYSA-N 1 1 397.475 3.730 20 5 GHBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000512403039 843664260 /nfs/dbraw/zinc/66/42/60/843664260.db2.gz JFIVMLYZSIZLIY-YZTRRJNXSA-N 1 1 384.411 3.643 20 5 GHBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000512403039 843664261 /nfs/dbraw/zinc/66/42/61/843664261.db2.gz JFIVMLYZSIZLIY-YZTRRJNXSA-N 1 1 384.411 3.643 20 5 GHBDMO CC[NH+](CC)Cc1cccc(CN[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000056184955 861448058 /nfs/dbraw/zinc/44/80/58/861448058.db2.gz QUKSADUXKBLEHQ-MRXNPFEDSA-N 1 1 384.480 3.553 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)nc1 ZINC000128900121 843856537 /nfs/dbraw/zinc/85/65/37/843856537.db2.gz GFJNOYCVOAVCPJ-MRXNPFEDSA-N 1 1 398.854 3.515 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000509758997 843945053 /nfs/dbraw/zinc/94/50/53/843945053.db2.gz AWYKALRNCXIAKX-YLJYHZDGSA-N 1 1 396.491 3.695 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000433053352 845089655 /nfs/dbraw/zinc/08/96/55/845089655.db2.gz PDWNKVYZTMFKEN-GOSISDBHSA-N 1 1 397.475 3.984 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433061716 845108548 /nfs/dbraw/zinc/10/85/48/845108548.db2.gz QIVILYPGLKBBSI-QGZVFWFLSA-N 1 1 383.448 3.812 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433061716 845108552 /nfs/dbraw/zinc/10/85/52/845108552.db2.gz QIVILYPGLKBBSI-QGZVFWFLSA-N 1 1 383.448 3.812 20 5 GHBDMO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000025702773 861535409 /nfs/dbraw/zinc/53/54/09/861535409.db2.gz ONXXPDIUDWQHEL-INIZCTEOSA-N 1 1 384.480 3.553 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000843806804 861558210 /nfs/dbraw/zinc/55/82/10/861558210.db2.gz YIUHALUSMFLXRW-ACJLOTCBSA-N 1 1 391.468 3.917 20 5 GHBDMO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+]2CCOCC2)cc1 ZINC000071968849 846071225 /nfs/dbraw/zinc/07/12/25/846071225.db2.gz WXGDRJDDPKCMMG-JOCHJYFZSA-N 1 1 392.459 3.937 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000051383317 846078604 /nfs/dbraw/zinc/07/86/04/846078604.db2.gz UBWKWXADANQQQY-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000513673066 846220407 /nfs/dbraw/zinc/22/04/07/846220407.db2.gz OCTKIORRYIVLKC-NRFANRHFSA-N 1 1 387.443 3.798 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000421475240 846266731 /nfs/dbraw/zinc/26/67/31/846266731.db2.gz UHFAHSWPOWGINP-INIZCTEOSA-N 1 1 383.448 3.857 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421508623 846298160 /nfs/dbraw/zinc/29/81/60/846298160.db2.gz RGVGCWXVRYORJG-LJQANCHMSA-N 1 1 381.476 3.806 20 5 GHBDMO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511076496 846385552 /nfs/dbraw/zinc/38/55/52/846385552.db2.gz XNYKGFFKAIPLQW-BZSISCHUSA-N 1 1 385.508 3.543 20 5 GHBDMO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511076496 846385557 /nfs/dbraw/zinc/38/55/57/846385557.db2.gz XNYKGFFKAIPLQW-BZSISCHUSA-N 1 1 385.508 3.543 20 5 GHBDMO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000513702147 846506877 /nfs/dbraw/zinc/50/68/77/846506877.db2.gz FFLVSFUFBAWTRM-DYESRHJHSA-N 1 1 394.475 3.860 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[N@H+](C)[C@@H](C)[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000540026702 846513705 /nfs/dbraw/zinc/51/37/05/846513705.db2.gz GHRAKNOHWVHLPF-JKSUJKDBSA-N 1 1 382.464 3.684 20 5 GHBDMO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)COCc1ccccc1 ZINC000513703520 846518826 /nfs/dbraw/zinc/51/88/26/846518826.db2.gz WTLQXCYIXSEVIE-DYESRHJHSA-N 1 1 394.475 3.860 20 5 GHBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)COCc1ccccc1 ZINC000513703522 846519448 /nfs/dbraw/zinc/51/94/48/846519448.db2.gz WTLQXCYIXSEVIE-UTKZUKDTSA-N 1 1 394.475 3.860 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000367067401 846534681 /nfs/dbraw/zinc/53/46/81/846534681.db2.gz RJPWHWPOFZREOV-YOEHRIQHSA-N 1 1 389.477 3.573 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2[C@@H](C)COC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000501074623 846615633 /nfs/dbraw/zinc/61/56/33/846615633.db2.gz CRHVWQRHUFWJEL-MGPUTAFESA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2[C@@H](C)COC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000501074623 846615635 /nfs/dbraw/zinc/61/56/35/846615635.db2.gz CRHVWQRHUFWJEL-MGPUTAFESA-N 1 1 383.448 3.694 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001167561940 846811381 /nfs/dbraw/zinc/81/13/81/846811381.db2.gz CHYYQNZGARRETN-HXUWFJFHSA-N 1 1 397.475 3.648 20 5 GHBDMO CN(C)C(=O)C[N@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000162497043 861772408 /nfs/dbraw/zinc/77/24/08/861772408.db2.gz LFEPPUYYQKKLMR-UHFFFAOYSA-N 1 1 377.828 3.561 20 5 GHBDMO CN(C)C(=O)C[N@@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000162497043 861772413 /nfs/dbraw/zinc/77/24/13/861772413.db2.gz LFEPPUYYQKKLMR-UHFFFAOYSA-N 1 1 377.828 3.561 20 5 GHBDMO C[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000604122213 861807089 /nfs/dbraw/zinc/80/70/89/861807089.db2.gz CULUYRQIFBXUCW-ACJLOTCBSA-N 1 1 390.871 3.911 20 5 GHBDMO COc1cc(CNCC[NH+]2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237168393 847753297 /nfs/dbraw/zinc/75/32/97/847753297.db2.gz NDEKTVBIWZYVIH-UHFFFAOYSA-N 1 1 399.491 3.758 20 5 GHBDMO Cc1c(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000479830816 847897490 /nfs/dbraw/zinc/89/74/90/847897490.db2.gz SPENZZQVEPGYJQ-FQEVSTJZSA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1ccc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000158719453 847995476 /nfs/dbraw/zinc/99/54/76/847995476.db2.gz DLDYOXIXKASPSY-UHFFFAOYSA-N 1 1 379.460 3.960 20 5 GHBDMO C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611713966 848285359 /nfs/dbraw/zinc/28/53/59/848285359.db2.gz NWEUGOKIHPPRGX-WBVHZDCISA-N 1 1 377.448 3.861 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000132247317 861983840 /nfs/dbraw/zinc/98/38/40/861983840.db2.gz GQTKRVVUWNTBTN-OAQYLSRUSA-N 1 1 375.428 3.556 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@]4(C3)OCc3ccccc34)n2)c1 ZINC000481683841 862009336 /nfs/dbraw/zinc/00/93/36/862009336.db2.gz GMKPKKCKWYMRQK-NRFANRHFSA-N 1 1 392.415 3.666 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@]4(C3)OCc3ccccc34)n2)c1 ZINC000481683841 862009347 /nfs/dbraw/zinc/00/93/47/862009347.db2.gz GMKPKKCKWYMRQK-NRFANRHFSA-N 1 1 392.415 3.666 20 5 GHBDMO CCn1nccc1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000435036982 850001192 /nfs/dbraw/zinc/00/11/92/850001192.db2.gz VTWPUFPDRMPSAA-UHFFFAOYSA-N 1 1 380.395 3.792 20 5 GHBDMO C[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1Cc1ccccc1 ZINC000486955680 850293172 /nfs/dbraw/zinc/29/31/72/850293172.db2.gz MDCZIALKXLPNEX-INIZCTEOSA-N 1 1 393.447 3.746 20 5 GHBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000435327603 850360014 /nfs/dbraw/zinc/36/00/14/850360014.db2.gz HXVBKCGLZLLWEH-WDEREUQCSA-N 1 1 399.289 3.612 20 5 GHBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000435327597 850360389 /nfs/dbraw/zinc/36/03/89/850360389.db2.gz HXVBKCGLZLLWEH-MNOVXSKESA-N 1 1 399.289 3.612 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000732231565 862163419 /nfs/dbraw/zinc/16/34/19/862163419.db2.gz SLWIWLFQEMSDOX-UHFFFAOYSA-N 1 1 379.416 3.875 20 5 GHBDMO CSc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425006412 850845746 /nfs/dbraw/zinc/84/57/46/850845746.db2.gz MBWMROCPHXPNKO-FUHWJXTLSA-N 1 1 397.500 3.663 20 5 GHBDMO CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000434230889 850910403 /nfs/dbraw/zinc/91/04/03/850910403.db2.gz YGRQYXDLKXNCBP-WBVHZDCISA-N 1 1 399.495 3.739 20 5 GHBDMO CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000434230889 850910406 /nfs/dbraw/zinc/91/04/06/850910406.db2.gz YGRQYXDLKXNCBP-WBVHZDCISA-N 1 1 399.495 3.739 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000425076848 851069162 /nfs/dbraw/zinc/06/91/62/851069162.db2.gz GXUPZYXIEPDURP-UHFFFAOYSA-N 1 1 388.493 3.779 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000604472177 862213561 /nfs/dbraw/zinc/21/35/61/862213561.db2.gz INNMVQJJVCIRRR-QGZVFWFLSA-N 1 1 392.459 3.718 20 5 GHBDMO CCc1ccc([C@H](CO)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000425456979 851195860 /nfs/dbraw/zinc/19/58/60/851195860.db2.gz KDPIUVGIKDMZEG-INIZCTEOSA-N 1 1 379.254 3.743 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)o1 ZINC000514082759 851218346 /nfs/dbraw/zinc/21/83/46/851218346.db2.gz IJSLAMSWZAVJSU-QGZVFWFLSA-N 1 1 385.464 3.542 20 5 GHBDMO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000488483285 851554335 /nfs/dbraw/zinc/55/43/35/851554335.db2.gz GVTDVSBUUQSMLU-VQIMIIECSA-N 1 1 397.475 3.634 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC[NH2+]2)cc1 ZINC000505492078 851560663 /nfs/dbraw/zinc/56/06/63/851560663.db2.gz WDVMBSDTXIKYKM-VBKZILBWSA-N 1 1 385.439 3.573 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436398747 851571012 /nfs/dbraw/zinc/57/10/12/851571012.db2.gz WDAVHNYSYHPLAG-HNNXBMFYSA-N 1 1 394.397 3.967 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000425550667 851625838 /nfs/dbraw/zinc/62/58/38/851625838.db2.gz INXHWQRUGOOOFM-HXUWFJFHSA-N 1 1 387.480 3.513 20 5 GHBDMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)o2)cc1 ZINC000488769525 851758645 /nfs/dbraw/zinc/75/86/45/851758645.db2.gz NUZCDMPAXMTTIO-AWEZNQCLSA-N 1 1 382.424 3.548 20 5 GHBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000604540313 862290166 /nfs/dbraw/zinc/29/01/66/862290166.db2.gz ZKAQXYGZRADNGH-UHFFFAOYSA-N 1 1 384.480 3.804 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000543576833 852098247 /nfs/dbraw/zinc/09/82/47/852098247.db2.gz MALFILNNEVPNSU-LJQANCHMSA-N 1 1 375.469 3.513 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425975942 852216453 /nfs/dbraw/zinc/21/64/53/852216453.db2.gz PBHBQPSOINODKX-AVRDEDQJSA-N 1 1 383.492 3.533 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425975942 852216458 /nfs/dbraw/zinc/21/64/58/852216458.db2.gz PBHBQPSOINODKX-AVRDEDQJSA-N 1 1 383.492 3.533 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425975942 852216463 /nfs/dbraw/zinc/21/64/63/852216463.db2.gz PBHBQPSOINODKX-AVRDEDQJSA-N 1 1 383.492 3.533 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000489344133 852246581 /nfs/dbraw/zinc/24/65/81/852246581.db2.gz XNSFSCJHKMMTOT-LLGFUMIMSA-N 1 1 396.491 3.866 20 5 GHBDMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000507168265 852638752 /nfs/dbraw/zinc/63/87/52/852638752.db2.gz BMPCYRQMZWOIHA-MRXNPFEDSA-N 1 1 386.448 3.946 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000490005094 852700943 /nfs/dbraw/zinc/70/09/43/852700943.db2.gz OPFUZKCQAFEIQJ-PBHICJAKSA-N 1 1 386.427 3.999 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000507320527 852790770 /nfs/dbraw/zinc/79/07/70/852790770.db2.gz AMAMXRKZMVHZPT-HNNXBMFYSA-N 1 1 379.526 3.805 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427205461 852833136 /nfs/dbraw/zinc/83/31/36/852833136.db2.gz TVMQNGKQMGBIJR-UHFFFAOYSA-N 1 1 389.418 3.896 20 5 GHBDMO Cn1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506369348 852891043 /nfs/dbraw/zinc/89/10/43/852891043.db2.gz MNXFKFKFYJBVQJ-FQEVSTJZSA-N 1 1 378.432 3.569 20 5 GHBDMO Cn1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506369348 852891048 /nfs/dbraw/zinc/89/10/48/852891048.db2.gz MNXFKFKFYJBVQJ-FQEVSTJZSA-N 1 1 378.432 3.569 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)cc1OC ZINC000426197553 852983018 /nfs/dbraw/zinc/98/30/18/852983018.db2.gz DCYKMXMHIMKNBB-YXJHDRRASA-N 1 1 380.485 3.764 20 5 GHBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CCCCC1 ZINC000029454989 853127077 /nfs/dbraw/zinc/12/70/77/853127077.db2.gz HZMWJGBGNQYPPL-UHFFFAOYSA-N 1 1 384.274 3.808 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c2ncccc12 ZINC000029526036 853177789 /nfs/dbraw/zinc/17/77/89/853177789.db2.gz ZDPDNKOCLHKFTG-HXUWFJFHSA-N 1 1 378.432 3.628 20 5 GHBDMO C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490760119 853223910 /nfs/dbraw/zinc/22/39/10/853223910.db2.gz UBENYQMZIUPABY-WBVHZDCISA-N 1 1 392.459 3.717 20 5 GHBDMO C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490779286 853255949 /nfs/dbraw/zinc/25/59/49/853255949.db2.gz AYIWYONJUHKCOS-SJLPKXTDSA-N 1 1 399.516 3.714 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)COc2ccccc2Cl)C2CC2)cc1 ZINC000490828448 853281059 /nfs/dbraw/zinc/28/10/59/853281059.db2.gz QRLZZTJXQJSPTC-QGZVFWFLSA-N 1 1 376.840 3.653 20 5 GHBDMO CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000519668595 853375534 /nfs/dbraw/zinc/37/55/34/853375534.db2.gz PCPRBWZIRLGWTM-GOSISDBHSA-N 1 1 389.402 3.715 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000439263489 853482275 /nfs/dbraw/zinc/48/22/75/853482275.db2.gz XVBHMGHTBQKUMV-FQEVSTJZSA-N 1 1 376.428 3.906 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437840499 853581704 /nfs/dbraw/zinc/58/17/04/853581704.db2.gz MCTWHSDCBHQCMJ-KRWDZBQOSA-N 1 1 379.888 3.704 20 5 GHBDMO C[C@H](NC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570933369 853650892 /nfs/dbraw/zinc/65/08/92/853650892.db2.gz UGMXBDKWWXHFCD-KKSFZXQISA-N 1 1 382.464 3.620 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044552802 853673155 /nfs/dbraw/zinc/67/31/55/853673155.db2.gz YIMXCBMXKMACBV-KRWDZBQOSA-N 1 1 381.476 3.686 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171587711 862497133 /nfs/dbraw/zinc/49/71/33/862497133.db2.gz UJPCFFHRNBIGCH-ZDUSSCGKSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441021831 853838473 /nfs/dbraw/zinc/83/84/73/853838473.db2.gz BUPVYVKUVNXCFD-KPZWWZAWSA-N 1 1 389.839 3.511 20 5 GHBDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441021831 853838480 /nfs/dbraw/zinc/83/84/80/853838480.db2.gz BUPVYVKUVNXCFD-KPZWWZAWSA-N 1 1 389.839 3.511 20 5 GHBDMO COc1ccc(C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)cc1 ZINC000571681538 853983158 /nfs/dbraw/zinc/98/31/58/853983158.db2.gz HWNQLBZFOJKDHY-UHFFFAOYSA-N 1 1 385.464 3.867 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[N@H+]1C ZINC000438490096 853990020 /nfs/dbraw/zinc/99/00/20/853990020.db2.gz KJJSYURFRHQVGY-GDBMZVCRSA-N 1 1 384.436 3.991 20 5 GHBDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000441325193 854110559 /nfs/dbraw/zinc/11/05/59/854110559.db2.gz BSXQQKARJDUQPN-ILWGZMRPSA-N 1 1 384.476 3.911 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000571802929 854160689 /nfs/dbraw/zinc/16/06/89/854160689.db2.gz OTXPUDPCKTZHQC-XLIONFOSSA-N 1 1 398.459 3.793 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000056168476 854497286 /nfs/dbraw/zinc/49/72/86/854497286.db2.gz XLBLBZFDEVORQJ-ZBFHGGJFSA-N 1 1 378.432 3.641 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000589200105 854745341 /nfs/dbraw/zinc/74/53/41/854745341.db2.gz PVYUTMZHYWHDNH-SJORKVTESA-N 1 1 384.480 3.634 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C1CCCCC1 ZINC000131565434 854989961 /nfs/dbraw/zinc/98/99/61/854989961.db2.gz MKPMCKAWUYHUHS-IBGZPJMESA-N 1 1 383.448 3.878 20 5 GHBDMO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000553525985 855094725 /nfs/dbraw/zinc/09/47/25/855094725.db2.gz LTOGQCJHNLRIBO-ZDUSSCGKSA-N 1 1 397.928 3.673 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000590600067 855505438 /nfs/dbraw/zinc/50/54/38/855505438.db2.gz KASKYTXYSIYENL-CYBMUJFWSA-N 1 1 393.390 3.979 20 5 GHBDMO Cn1cc(-c2nc(C[N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)cs2)cn1 ZINC000590757326 855564865 /nfs/dbraw/zinc/56/48/65/855564865.db2.gz OFXQLFLGWSIUNZ-HNNXBMFYSA-N 1 1 383.477 3.831 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000427590414 855575722 /nfs/dbraw/zinc/57/57/22/855575722.db2.gz ADUFZGKDAWHJCA-AEFFLSMTSA-N 1 1 397.475 3.729 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000591026170 855745821 /nfs/dbraw/zinc/74/58/21/855745821.db2.gz CMETWPPPEMQZBR-NWDGAFQWSA-N 1 1 389.374 3.595 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000008120787 855979325 /nfs/dbraw/zinc/97/93/25/855979325.db2.gz HVFOVBMBHMXHSH-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000008120787 855979335 /nfs/dbraw/zinc/97/93/35/855979335.db2.gz HVFOVBMBHMXHSH-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO CC[N@@H+](C)C[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000485140151 856151533 /nfs/dbraw/zinc/15/15/33/856151533.db2.gz HFAOPJKIBNOVDM-GFCCVEGCSA-N 1 1 393.285 3.684 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542866748 856218201 /nfs/dbraw/zinc/21/82/01/856218201.db2.gz HHCNQNYEGXERKJ-TZMCWYRMSA-N 1 1 397.422 3.579 20 5 GHBDMO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554834605 856230628 /nfs/dbraw/zinc/23/06/28/856230628.db2.gz KFQMULSGGKYRFT-QAPCUYQASA-N 1 1 387.505 3.883 20 5 GHBDMO CC(C)NC(=O)c1ccc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000026730075 856250758 /nfs/dbraw/zinc/25/07/58/856250758.db2.gz LPAJRVNKDZRHMP-MRXNPFEDSA-N 1 1 396.491 3.592 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000043086367 856339479 /nfs/dbraw/zinc/33/94/79/856339479.db2.gz RQGRKYYEZVKYLG-UHFFFAOYSA-N 1 1 387.505 3.844 20 5 GHBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCCCCC1 ZINC000039536597 856457815 /nfs/dbraw/zinc/45/78/15/856457815.db2.gz WHSOTLXEAZYNCV-UHFFFAOYSA-N 1 1 384.274 3.950 20 5 GHBDMO C[C@H](NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000429234756 856543301 /nfs/dbraw/zinc/54/33/01/856543301.db2.gz CLRZHDVUOPQBLJ-ZDUSSCGKSA-N 1 1 375.856 3.950 20 5 GHBDMO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC000592130648 856668415 /nfs/dbraw/zinc/66/84/15/856668415.db2.gz HIOOENMNQIUCNO-MXVIHJGJSA-N 1 1 398.459 3.687 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)CCc1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000592133097 856678520 /nfs/dbraw/zinc/67/85/20/856678520.db2.gz SQOKFOOOWAANLY-FKBYEOEOSA-N 1 1 398.503 3.694 20 5 GHBDMO CCC[N@@H+](CCc1cccc(F)c1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000733300470 862845454 /nfs/dbraw/zinc/84/54/54/862845454.db2.gz KHSOMKFVMPBAQS-UHFFFAOYSA-N 1 1 385.237 3.605 20 5 GHBDMO Cc1ccc(C[C@@H]2CCC[N@H+]2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000733301323 862847523 /nfs/dbraw/zinc/84/75/23/862847523.db2.gz QOFUKDWAPMEXFY-FQEVSTJZSA-N 1 1 377.448 3.826 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000485743040 857033867 /nfs/dbraw/zinc/03/38/67/857033867.db2.gz JJOQSEYQHGGOQJ-HNNXBMFYSA-N 1 1 399.447 3.696 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000485743040 857033872 /nfs/dbraw/zinc/03/38/72/857033872.db2.gz JJOQSEYQHGGOQJ-HNNXBMFYSA-N 1 1 399.447 3.696 20 5 GHBDMO Cc1ccc([C@@H](C)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000245658410 857057965 /nfs/dbraw/zinc/05/79/65/857057965.db2.gz GDXFCUXSXOIZEE-BEFAXECRSA-N 1 1 382.464 3.526 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[C@H](SCC)C2)c([N+](=O)[O-])c1 ZINC000173867919 857170461 /nfs/dbraw/zinc/17/04/61/857170461.db2.gz UKRMAMAQNWFNAA-HIFRSBDPSA-N 1 1 381.498 3.538 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000174004829 857196634 /nfs/dbraw/zinc/19/66/34/857196634.db2.gz APDKUWJPWXPSTE-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000174004829 857196639 /nfs/dbraw/zinc/19/66/39/857196639.db2.gz APDKUWJPWXPSTE-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000245993219 857211573 /nfs/dbraw/zinc/21/15/73/857211573.db2.gz XGQXLWTUGNUNKZ-UYAOXDASSA-N 1 1 387.867 3.742 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000245993219 857211576 /nfs/dbraw/zinc/21/15/76/857211576.db2.gz XGQXLWTUGNUNKZ-UYAOXDASSA-N 1 1 387.867 3.742 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000157733056 857250228 /nfs/dbraw/zinc/25/02/28/857250228.db2.gz RDAYPVZVTNKYTD-YJBOKZPZSA-N 1 1 391.537 3.899 20 5 GHBDMO C[C@H](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000174411382 857290506 /nfs/dbraw/zinc/29/05/06/857290506.db2.gz VCUDGNSCNCSJOQ-CQSZACIVSA-N 1 1 375.856 3.889 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592433545 857439979 /nfs/dbraw/zinc/43/99/79/857439979.db2.gz APZXDVPHXISNHM-DLBZAZTESA-N 1 1 386.521 3.930 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000486227168 857568241 /nfs/dbraw/zinc/56/82/41/857568241.db2.gz BRHJUZQAIMEQHQ-GOEBONIOSA-N 1 1 385.489 3.882 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000486317511 857649968 /nfs/dbraw/zinc/64/99/68/857649968.db2.gz HDYOCKOUVKTRJD-MJGOQNOKSA-N 1 1 381.476 3.934 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001129152946 857704677 /nfs/dbraw/zinc/70/46/77/857704677.db2.gz VAESOBOWPQFLII-OXJNMPFZSA-N 1 1 377.460 3.513 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592882401 858336357 /nfs/dbraw/zinc/33/63/57/858336357.db2.gz RXRSTPWGJTYHMF-VPWXQRGCSA-N 1 1 399.516 3.537 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000059402959 858361553 /nfs/dbraw/zinc/36/15/53/858361553.db2.gz IHPBVQCMIPKFME-FQEVSTJZSA-N 1 1 382.464 3.814 20 5 GHBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595041255 858376700 /nfs/dbraw/zinc/37/67/00/858376700.db2.gz DDMXMTPFJYLGFL-UONOGXRCSA-N 1 1 392.477 3.809 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]C2CCN([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000595102734 858405709 /nfs/dbraw/zinc/40/57/09/858405709.db2.gz LNMIMKBCFHKTRV-FGZHOGPDSA-N 1 1 381.476 3.527 20 5 GHBDMO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000184896735 858523007 /nfs/dbraw/zinc/52/30/07/858523007.db2.gz XZYBLKKRGASQPY-AWEZNQCLSA-N 1 1 380.404 3.929 20 5 GHBDMO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301888875 858529202 /nfs/dbraw/zinc/52/92/02/858529202.db2.gz SAQRUOISYVXJNX-UHFFFAOYSA-N 1 1 393.447 3.584 20 5 GHBDMO CC(C)(C)n1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cn1 ZINC000595562905 858553952 /nfs/dbraw/zinc/55/39/52/858553952.db2.gz NBGJPVAFXHCJPN-WGSAOQKQSA-N 1 1 386.496 3.852 20 5 GHBDMO CC(C)(C)n1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cn1 ZINC000595562905 858553958 /nfs/dbraw/zinc/55/39/58/858553958.db2.gz NBGJPVAFXHCJPN-WGSAOQKQSA-N 1 1 386.496 3.852 20 5 GHBDMO C[C@@H]1[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000575084829 858578914 /nfs/dbraw/zinc/57/89/14/858578914.db2.gz IEYITKUKWHNLHQ-UZLBHIALSA-N 1 1 396.491 3.792 20 5 GHBDMO Cn1c2ccc(Nc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000301894096 858620399 /nfs/dbraw/zinc/62/03/99/858620399.db2.gz WRMJVDZMJYCLGD-UHFFFAOYSA-N 1 1 386.433 3.506 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595791055 858689831 /nfs/dbraw/zinc/68/98/31/858689831.db2.gz TXQFLPXGNFABNF-LBTNJELSSA-N 1 1 395.887 3.856 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595791055 858689834 /nfs/dbraw/zinc/68/98/34/858689834.db2.gz TXQFLPXGNFABNF-LBTNJELSSA-N 1 1 395.887 3.856 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595880841 858704875 /nfs/dbraw/zinc/70/48/75/858704875.db2.gz ZWXNWDVPXJOJOG-XUEUYAKLSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595880841 858704881 /nfs/dbraw/zinc/70/48/81/858704881.db2.gz ZWXNWDVPXJOJOG-XUEUYAKLSA-N 1 1 397.475 3.533 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000595913237 858717697 /nfs/dbraw/zinc/71/76/97/858717697.db2.gz FQQDCIFPGJYCJE-GXTWGEPZSA-N 1 1 375.450 3.779 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596076909 858773560 /nfs/dbraw/zinc/77/35/60/858773560.db2.gz SDGIWDKDYZKHHT-HNNXBMFYSA-N 1 1 382.464 3.680 20 5 GHBDMO COc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)c(Cl)cc1[N+](=O)[O-] ZINC000596080254 858776093 /nfs/dbraw/zinc/77/60/93/858776093.db2.gz DULYYMHKDMTYHR-UHFFFAOYSA-N 1 1 391.855 3.701 20 5 GHBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000116044445 858801209 /nfs/dbraw/zinc/80/12/09/858801209.db2.gz RHCPIQKVSZAZNV-UHFFFAOYSA-N 1 1 385.468 3.503 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499682460 858827080 /nfs/dbraw/zinc/82/70/80/858827080.db2.gz YAVZDCNQIKNVIM-OAHLLOKOSA-N 1 1 388.493 3.713 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000195214671 881351303 /nfs/dbraw/zinc/35/13/03/881351303.db2.gz XWDITTSVIBXLQQ-QGZVFWFLSA-N 1 1 397.475 3.646 20 5 GHBDMO O=[N+]([O-])c1cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1C(F)(F)F ZINC000596424197 858893601 /nfs/dbraw/zinc/89/36/01/858893601.db2.gz RAMYYXPCAPPHSG-MRXNPFEDSA-N 1 1 395.381 3.792 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000116271771 858921810 /nfs/dbraw/zinc/92/18/10/858921810.db2.gz IOVPVYAYAPMWMJ-HNNXBMFYSA-N 1 1 389.887 3.946 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000116271771 858921821 /nfs/dbraw/zinc/92/18/21/858921821.db2.gz IOVPVYAYAPMWMJ-HNNXBMFYSA-N 1 1 389.887 3.946 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614060 858967605 /nfs/dbraw/zinc/96/76/05/858967605.db2.gz PXLMQVODOQLEBR-DNVCBOLYSA-N 1 1 394.431 3.915 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614060 858967617 /nfs/dbraw/zinc/96/76/17/858967617.db2.gz PXLMQVODOQLEBR-DNVCBOLYSA-N 1 1 394.431 3.915 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170328996 881368035 /nfs/dbraw/zinc/36/80/35/881368035.db2.gz MUFNAXZQBONDDC-FXAWDEMLSA-N 1 1 383.492 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170328996 881368055 /nfs/dbraw/zinc/36/80/55/881368055.db2.gz MUFNAXZQBONDDC-FXAWDEMLSA-N 1 1 383.492 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170328996 881368074 /nfs/dbraw/zinc/36/80/74/881368074.db2.gz MUFNAXZQBONDDC-FXAWDEMLSA-N 1 1 383.492 3.741 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116728118 859120829 /nfs/dbraw/zinc/12/08/29/859120829.db2.gz KIBNSQKNAKWGAR-HNNXBMFYSA-N 1 1 397.903 3.645 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000248541586 859131249 /nfs/dbraw/zinc/13/12/49/859131249.db2.gz BRPSHIOVGMLQRA-SMDDNHRTSA-N 1 1 388.390 3.808 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000543293680 859176816 /nfs/dbraw/zinc/17/68/16/859176816.db2.gz UWVMLDSJYXOEAR-GXTWGEPZSA-N 1 1 385.917 3.672 20 5 GHBDMO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001170355469 881400153 /nfs/dbraw/zinc/40/01/53/881400153.db2.gz GFFOCCBUHKUCEL-ZRCAFCQKSA-N 1 1 398.459 3.771 20 5 GHBDMO COc1cc(CN2CC[N@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000429411858 859298043 /nfs/dbraw/zinc/29/80/43/859298043.db2.gz XALGOJBGCYZEKN-CYBMUJFWSA-N 1 1 399.438 3.511 20 5 GHBDMO CC[N@H+](CCc1ccccn1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764315980 859377575 /nfs/dbraw/zinc/37/75/75/859377575.db2.gz SGOZBKBSCWPQCT-CYBMUJFWSA-N 1 1 376.844 3.535 20 5 GHBDMO CC[N@@H+](CCc1ccccn1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764315980 859377581 /nfs/dbraw/zinc/37/75/81/859377581.db2.gz SGOZBKBSCWPQCT-CYBMUJFWSA-N 1 1 376.844 3.535 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1F ZINC000764440667 859450057 /nfs/dbraw/zinc/45/00/57/859450057.db2.gz AGIQFJKSSAGWEG-UHFFFAOYSA-N 1 1 386.358 3.606 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007902103 859589637 /nfs/dbraw/zinc/58/96/37/859589637.db2.gz TXBWHUBMVKODBB-UHFFFAOYSA-N 1 1 379.363 3.575 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007902103 859589642 /nfs/dbraw/zinc/58/96/42/859589642.db2.gz TXBWHUBMVKODBB-UHFFFAOYSA-N 1 1 379.363 3.575 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000117748121 859605736 /nfs/dbraw/zinc/60/57/36/859605736.db2.gz BIKHJPWCWFKOGN-UHFFFAOYSA-N 1 1 387.867 3.525 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)OCCO2 ZINC000611264821 859672796 /nfs/dbraw/zinc/67/27/96/859672796.db2.gz RSKMVUDQTITZSD-GOSISDBHSA-N 1 1 384.432 3.547 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)OCCO2 ZINC000611264821 859672798 /nfs/dbraw/zinc/67/27/98/859672798.db2.gz RSKMVUDQTITZSD-GOSISDBHSA-N 1 1 384.432 3.547 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000552067366 859687374 /nfs/dbraw/zinc/68/73/74/859687374.db2.gz HZNNPVAOECWSJE-SFHVURJKSA-N 1 1 390.365 3.667 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000611322853 859695834 /nfs/dbraw/zinc/69/58/34/859695834.db2.gz NGNWIFIBIWFRMN-MRXNPFEDSA-N 1 1 378.469 3.793 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000060669733 859804456 /nfs/dbraw/zinc/80/44/56/859804456.db2.gz ODIIJEUXNCSJPV-KRWDZBQOSA-N 1 1 396.491 3.811 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091772849 859930698 /nfs/dbraw/zinc/93/06/98/859930698.db2.gz MFXGQDMTWVXUTL-IBGZPJMESA-N 1 1 386.448 3.793 20 5 GHBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555111239 860048819 /nfs/dbraw/zinc/04/88/19/860048819.db2.gz MTPKLAFRGRTCCY-CYBMUJFWSA-N 1 1 376.482 3.569 20 5 GHBDMO CN(C)C(=O)c1cccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000602512330 860084005 /nfs/dbraw/zinc/08/40/05/860084005.db2.gz XNSUCETXDRXVEB-UHFFFAOYSA-N 1 1 381.354 3.605 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1cccs1 ZINC000602549417 860095597 /nfs/dbraw/zinc/09/55/97/860095597.db2.gz CWGIAVGZRQKWEX-ORAYPTAESA-N 1 1 386.477 3.970 20 5 GHBDMO C[N@H+]1CCC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1cccs1 ZINC000602549420 860095711 /nfs/dbraw/zinc/09/57/11/860095711.db2.gz CWGIAVGZRQKWEX-YJYMSZOUSA-N 1 1 386.477 3.970 20 5 GHBDMO COCc1cc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)ccc1F ZINC000602537001 860105115 /nfs/dbraw/zinc/10/51/15/860105115.db2.gz LURQIAPJMBCCEZ-UHFFFAOYSA-N 1 1 389.246 3.994 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)o1 ZINC000093134123 860216890 /nfs/dbraw/zinc/21/68/90/860216890.db2.gz YREDPUITPORNSQ-HNNXBMFYSA-N 1 1 393.447 3.772 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000484726638 860305364 /nfs/dbraw/zinc/30/53/64/860305364.db2.gz HRWVAWNSDFRFAY-MRXNPFEDSA-N 1 1 393.447 3.746 20 5 GHBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000093840372 860360554 /nfs/dbraw/zinc/36/05/54/860360554.db2.gz VVOGMAVWWUBESO-KRWDZBQOSA-N 1 1 392.459 3.916 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000598557889 860394221 /nfs/dbraw/zinc/39/42/21/860394221.db2.gz NKJBGSPVMZQZKA-KRWDZBQOSA-N 1 1 394.475 3.509 20 5 GHBDMO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000139787090 860436684 /nfs/dbraw/zinc/43/66/84/860436684.db2.gz GIUBSGCNCOONMS-ZDUSSCGKSA-N 1 1 396.369 3.772 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)cc1 ZINC000155213695 860443436 /nfs/dbraw/zinc/44/34/36/860443436.db2.gz HQJYKDAVSDXGSP-MRXNPFEDSA-N 1 1 380.404 3.643 20 5 GHBDMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000061012608 860541878 /nfs/dbraw/zinc/54/18/78/860541878.db2.gz ZKQDWGDYHDPRMH-FQEVSTJZSA-N 1 1 399.491 3.756 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000061012608 860541886 /nfs/dbraw/zinc/54/18/86/860541886.db2.gz ZKQDWGDYHDPRMH-FQEVSTJZSA-N 1 1 399.491 3.756 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000156009466 860654478 /nfs/dbraw/zinc/65/44/78/860654478.db2.gz UPZCFZWBTFCBRX-NRFANRHFSA-N 1 1 397.475 3.505 20 5 GHBDMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cc(OC)c(OC)c(OC)c1 ZINC000593705064 860939923 /nfs/dbraw/zinc/93/99/23/860939923.db2.gz KQRPLSDMDIYMRW-INIZCTEOSA-N 1 1 390.436 3.870 20 5 GHBDMO CN(c1ccccc1)c1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000603633174 860952706 /nfs/dbraw/zinc/95/27/06/860952706.db2.gz IEFFSVJEDHKFEA-SFHVURJKSA-N 1 1 380.492 3.937 20 5 GHBDMO CN(c1ccccc1)c1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000603633174 860952714 /nfs/dbraw/zinc/95/27/14/860952714.db2.gz IEFFSVJEDHKFEA-SFHVURJKSA-N 1 1 380.492 3.937 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000156805339 860973675 /nfs/dbraw/zinc/97/36/75/860973675.db2.gz ZYJMRZDHCOVDDC-GOSISDBHSA-N 1 1 380.366 3.575 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(N(C)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000126205538 860987452 /nfs/dbraw/zinc/98/74/52/860987452.db2.gz KTTVZHCOWMZDFB-QGZVFWFLSA-N 1 1 396.491 3.831 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1F ZINC000763926126 861009589 /nfs/dbraw/zinc/00/95/89/861009589.db2.gz FEKYFPLDFPFLCQ-INIZCTEOSA-N 1 1 375.400 3.592 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C1CCCC1 ZINC000609190305 881611272 /nfs/dbraw/zinc/61/12/72/881611272.db2.gz RQYLWNAIEHVFDA-UHFFFAOYSA-N 1 1 383.448 3.991 20 5 GHBDMO COc1cccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1[N+](=O)[O-] ZINC000444038208 863195419 /nfs/dbraw/zinc/19/54/19/863195419.db2.gz PELJLVJVKPFNLP-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO COCC1=CC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000482486916 863208098 /nfs/dbraw/zinc/20/80/98/863208098.db2.gz NDKXQDFIVMPMPN-UHFFFAOYSA-N 1 1 398.459 3.961 20 5 GHBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444082213 863336689 /nfs/dbraw/zinc/33/66/89/863336689.db2.gz NGSLNMAZABKOAS-HNNXBMFYSA-N 1 1 395.478 3.767 20 5 GHBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000172414119 863577382 /nfs/dbraw/zinc/57/73/82/863577382.db2.gz OOHUKFWORKKJLU-UHFFFAOYSA-N 1 1 388.855 3.642 20 5 GHBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000475689935 881734675 /nfs/dbraw/zinc/73/46/75/881734675.db2.gz ABBNDEYYHLRALB-GFCCVEGCSA-N 1 1 392.408 3.605 20 5 GHBDMO Cc1c(Cl)cccc1N1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792881695 881771134 /nfs/dbraw/zinc/77/11/34/881771134.db2.gz ANNBUNGGQZRJMQ-HXUWFJFHSA-N 1 1 389.883 3.802 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CC1 ZINC000480523010 864778727 /nfs/dbraw/zinc/77/87/27/864778727.db2.gz DGGLIKFDOKXSCW-NRFANRHFSA-N 1 1 394.475 3.802 20 5 GHBDMO C[C@@H](CCNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000173614982 864905263 /nfs/dbraw/zinc/90/52/63/864905263.db2.gz XFDJRPUOWHEMLD-ZDUSSCGKSA-N 1 1 377.391 3.513 20 5 GHBDMO C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184913099 865038942 /nfs/dbraw/zinc/03/89/42/865038942.db2.gz RYFYEPYDBQFVSO-XIKOKIGWSA-N 1 1 393.846 3.910 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000738090337 865484568 /nfs/dbraw/zinc/48/45/68/865484568.db2.gz OWPZJQIKZADGAY-UHFFFAOYSA-N 1 1 378.498 3.882 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000608977615 865873970 /nfs/dbraw/zinc/87/39/70/865873970.db2.gz WGTCCYYHURVAQK-LJQANCHMSA-N 1 1 384.432 3.972 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000609025839 865904972 /nfs/dbraw/zinc/90/49/72/865904972.db2.gz VPTADPHXOOCHOV-AWEZNQCLSA-N 1 1 399.447 3.608 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](C[C@H]2CCCO2)C2CCCC2)cccc1[N+](=O)[O-] ZINC000072716171 865951357 /nfs/dbraw/zinc/95/13/57/865951357.db2.gz CTDPAHRVCQJHFC-QGZVFWFLSA-N 1 1 375.469 3.655 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000740884331 866074095 /nfs/dbraw/zinc/07/40/95/866074095.db2.gz VKVIKYQSIYZNMW-IUODEOHRSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000740884331 866074109 /nfs/dbraw/zinc/07/41/09/866074109.db2.gz VKVIKYQSIYZNMW-IUODEOHRSA-N 1 1 383.876 3.983 20 5 GHBDMO CSc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000609908726 866126319 /nfs/dbraw/zinc/12/63/19/866126319.db2.gz AQTZBSOKPICPPS-HNNXBMFYSA-N 1 1 385.489 3.663 20 5 GHBDMO CSc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000609908726 866126320 /nfs/dbraw/zinc/12/63/20/866126320.db2.gz AQTZBSOKPICPPS-HNNXBMFYSA-N 1 1 385.489 3.663 20 5 GHBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(C(F)(F)F)c1 ZINC000534134563 866187526 /nfs/dbraw/zinc/18/75/26/866187526.db2.gz NYWOSEOIYFBEMJ-UHFFFAOYSA-N 1 1 383.370 3.686 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000475536951 866216784 /nfs/dbraw/zinc/21/67/84/866216784.db2.gz LJFILCHCFCXDQC-UHFFFAOYSA-N 1 1 383.452 3.828 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000475536951 866216800 /nfs/dbraw/zinc/21/68/00/866216800.db2.gz LJFILCHCFCXDQC-UHFFFAOYSA-N 1 1 383.452 3.828 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534245667 866365129 /nfs/dbraw/zinc/36/51/29/866365129.db2.gz JJRGXXNDCKZEEC-HZPDHXFCSA-N 1 1 384.480 3.803 20 5 GHBDMO O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741326085 866405703 /nfs/dbraw/zinc/40/57/03/866405703.db2.gz JOJWCMYNOPLKNJ-SFHVURJKSA-N 1 1 386.423 3.732 20 5 GHBDMO COc1ccc(C[N@@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000741790195 866793353 /nfs/dbraw/zinc/79/33/53/866793353.db2.gz AZLFCRUWEDHQJV-IBGZPJMESA-N 1 1 376.428 3.934 20 5 GHBDMO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440485026 866933250 /nfs/dbraw/zinc/93/32/50/866933250.db2.gz HLIQVSYAIUBEIS-TZMCWYRMSA-N 1 1 378.379 3.839 20 5 GHBDMO Cc1c(Br)c(N2CCC[N@H+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000544393181 867006198 /nfs/dbraw/zinc/00/61/98/867006198.db2.gz XZEYJZMZPYBSFK-UHFFFAOYSA-N 1 1 383.290 3.515 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOc3ccc4ccccc4c3)C2)nc1 ZINC000440504350 867023868 /nfs/dbraw/zinc/02/38/68/867023868.db2.gz MCILXABDVMIGTJ-GOSISDBHSA-N 1 1 378.432 3.708 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475700888 882082722 /nfs/dbraw/zinc/08/27/22/882082722.db2.gz XPCNFGFLAMMZHG-QFBILLFUSA-N 1 1 398.459 3.772 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000553449809 867438373 /nfs/dbraw/zinc/43/83/73/867438373.db2.gz ZVYVFYATFZHRDY-KBPBESRZSA-N 1 1 383.477 3.699 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000444908443 867439604 /nfs/dbraw/zinc/43/96/04/867439604.db2.gz RBFAHOWRBZVAAS-UHFFFAOYSA-N 1 1 398.463 3.562 20 5 GHBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)c(Cl)c1 ZINC000534869630 867633163 /nfs/dbraw/zinc/63/31/63/867633163.db2.gz TYAKGEYAZZBPAK-UHFFFAOYSA-N 1 1 384.263 3.974 20 5 GHBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000479378724 867653624 /nfs/dbraw/zinc/65/36/24/867653624.db2.gz QKHIPNIUCJRWPS-GOSISDBHSA-N 1 1 387.867 3.572 20 5 GHBDMO COc1c(C)c[nH+]c(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C ZINC000183783569 867870219 /nfs/dbraw/zinc/87/02/19/867870219.db2.gz DRABHQURWQWXRP-UHFFFAOYSA-N 1 1 395.463 3.648 20 5 GHBDMO COc1c(C)cnc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C ZINC000183783569 867870235 /nfs/dbraw/zinc/87/02/35/867870235.db2.gz DRABHQURWQWXRP-UHFFFAOYSA-N 1 1 395.463 3.648 20 5 GHBDMO COc1c(C)cnc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C ZINC000183783569 867870249 /nfs/dbraw/zinc/87/02/49/867870249.db2.gz DRABHQURWQWXRP-UHFFFAOYSA-N 1 1 395.463 3.648 20 5 GHBDMO Cc1noc(C)c1CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000535219844 868394052 /nfs/dbraw/zinc/39/40/52/868394052.db2.gz JYUMOGLGPZGJFZ-UHFFFAOYSA-N 1 1 398.385 3.583 20 5 GHBDMO C[C@@H](C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)CO)c1ccccc1 ZINC000553936480 868465567 /nfs/dbraw/zinc/46/55/67/868465567.db2.gz VEVXJBURNGNUQK-HOTGVXAUSA-N 1 1 396.447 3.631 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]C[C@@H](CO)c2cccnc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000554075264 868709820 /nfs/dbraw/zinc/70/98/20/868709820.db2.gz VLIMSCXJIFSTQF-UWJYYQICSA-N 1 1 381.432 3.600 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000041904761 868794505 /nfs/dbraw/zinc/79/45/05/868794505.db2.gz CTQVZIHJZQDMHV-SFHVURJKSA-N 1 1 388.855 3.519 20 5 GHBDMO Cc1cc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(N2CCCC2)[nH+]1 ZINC000462275474 869134045 /nfs/dbraw/zinc/13/40/45/869134045.db2.gz FVJHOYIXNTVKFZ-UHFFFAOYSA-N 1 1 397.479 3.633 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000446183136 869513171 /nfs/dbraw/zinc/51/31/71/869513171.db2.gz OVWDOOBRYLNUOT-RHSMWYFYSA-N 1 1 387.867 3.949 20 5 GHBDMO C[N@@H+]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000524837904 869641443 /nfs/dbraw/zinc/64/14/43/869641443.db2.gz VPEOKUIGDQXMOU-OAQYLSRUSA-N 1 1 396.491 3.616 20 5 GHBDMO C[N@H+]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000524837904 869641452 /nfs/dbraw/zinc/64/14/52/869641452.db2.gz VPEOKUIGDQXMOU-OAQYLSRUSA-N 1 1 396.491 3.616 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000462628017 869788468 /nfs/dbraw/zinc/78/84/68/869788468.db2.gz PZVOQFARIDKOOH-YLJYHZDGSA-N 1 1 383.492 3.800 20 5 GHBDMO COC[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000539827873 869864314 /nfs/dbraw/zinc/86/43/14/869864314.db2.gz LWJKOPGLGMVPFN-SFHVURJKSA-N 1 1 386.448 3.651 20 5 GHBDMO Cn1cc(C[N@H+]2CCOC3(C2)CCCCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539851984 869919030 /nfs/dbraw/zinc/91/90/30/869919030.db2.gz ISUVMYXKDBRWAW-UHFFFAOYSA-N 1 1 384.480 3.921 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446486866 869919198 /nfs/dbraw/zinc/91/91/98/869919198.db2.gz XZMHLCMIQOMGDR-WMZOPIPTSA-N 1 1 382.464 3.935 20 5 GHBDMO COc1cccc(C[N@@H+](CC(C)C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000746054709 869982914 /nfs/dbraw/zinc/98/29/14/869982914.db2.gz ZYBNJNKZTCJGPB-UHFFFAOYSA-N 1 1 395.463 3.978 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000441056586 870077732 /nfs/dbraw/zinc/07/77/32/870077732.db2.gz PCIJDJBXIVKRLG-FOIQADDNSA-N 1 1 383.448 3.556 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC[N@@H+]1Cc1ccccc1 ZINC000476594611 882371072 /nfs/dbraw/zinc/37/10/72/882371072.db2.gz JSDCTAPLAFDJMK-GOSISDBHSA-N 1 1 397.475 3.730 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC[N@H+]1Cc1ccccc1 ZINC000476594611 882371092 /nfs/dbraw/zinc/37/10/92/882371092.db2.gz JSDCTAPLAFDJMK-GOSISDBHSA-N 1 1 397.475 3.730 20 5 GHBDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446846668 870523391 /nfs/dbraw/zinc/52/33/91/870523391.db2.gz CLIOYVCDSMTDPY-UHFFFAOYSA-N 1 1 394.410 3.703 20 5 GHBDMO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746358071 870540024 /nfs/dbraw/zinc/54/00/24/870540024.db2.gz YSERYCNQOLTTLX-YXAHYSCSSA-N 1 1 379.460 3.731 20 5 GHBDMO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000181258782 870575356 /nfs/dbraw/zinc/57/53/56/870575356.db2.gz AYXMSVOFQWJUQW-GOSISDBHSA-N 1 1 385.464 3.969 20 5 GHBDMO C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617742717 870820882 /nfs/dbraw/zinc/82/08/82/870820882.db2.gz UKNCVQAFFLRNFH-ROUUACIJSA-N 1 1 381.476 3.821 20 5 GHBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[C@H]1CCC[N@@H+](C)C1 ZINC000525616193 871085392 /nfs/dbraw/zinc/08/53/92/871085392.db2.gz VHJZKNVPEJDKFE-INIZCTEOSA-N 1 1 385.489 3.912 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2cccc(OC)c2F)CCOCC1 ZINC000447353894 871463596 /nfs/dbraw/zinc/46/35/96/871463596.db2.gz ISRFVRXRZKCEPJ-UHFFFAOYSA-N 1 1 390.411 3.547 20 5 GHBDMO COC(=O)c1cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc(C)c1[N+](=O)[O-] ZINC000539188338 871506674 /nfs/dbraw/zinc/50/66/74/871506674.db2.gz LNRDFTMGUSXPQP-OWCLPIDISA-N 1 1 375.469 3.531 20 5 GHBDMO COc1ccc(OCC[N@H+](C)Cc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000441252831 871516401 /nfs/dbraw/zinc/51/64/01/871516401.db2.gz KBIDCTSRKIKVLZ-UHFFFAOYSA-N 1 1 395.253 3.877 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)Cc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000441252831 871516421 /nfs/dbraw/zinc/51/64/21/871516421.db2.gz KBIDCTSRKIKVLZ-UHFFFAOYSA-N 1 1 395.253 3.877 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000462156644 871709242 /nfs/dbraw/zinc/70/92/42/871709242.db2.gz DHUSXKYDNKLTBD-OXJNMPFZSA-N 1 1 381.476 3.509 20 5 GHBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000618570492 871726432 /nfs/dbraw/zinc/72/64/32/871726432.db2.gz KCCPMSOZHFQCGS-PCCBWWKXSA-N 1 1 397.523 3.777 20 5 GHBDMO CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC001194477153 871738469 /nfs/dbraw/zinc/73/84/69/871738469.db2.gz ILMQYDNTRVVDOD-INIZCTEOSA-N 1 1 387.505 3.715 20 5 GHBDMO CCc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC001194477153 871738477 /nfs/dbraw/zinc/73/84/77/871738477.db2.gz ILMQYDNTRVVDOD-INIZCTEOSA-N 1 1 387.505 3.715 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000462181617 871780361 /nfs/dbraw/zinc/78/03/61/871780361.db2.gz KWTPGSGNTIXSJB-RDTXWAMCSA-N 1 1 379.416 3.591 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463439984 871803272 /nfs/dbraw/zinc/80/32/72/871803272.db2.gz MKMSEHICOUUBBW-OAHLLOKOSA-N 1 1 393.365 3.618 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462192344 871822103 /nfs/dbraw/zinc/82/21/03/871822103.db2.gz BLAOUEICJPJMHQ-GQIGUUNPSA-N 1 1 399.516 3.712 20 5 GHBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 ZINC000539379252 871858222 /nfs/dbraw/zinc/85/82/22/871858222.db2.gz SSVIPSHFLKRELB-ZIAGYGMSSA-N 1 1 398.488 3.902 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552276087 872372181 /nfs/dbraw/zinc/37/21/81/872372181.db2.gz KEEFITVGSMSAGO-IEBWSBKVSA-N 1 1 384.480 3.889 20 5 GHBDMO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252700 872503777 /nfs/dbraw/zinc/50/37/77/872503777.db2.gz NMCURFXRZLTXNE-MJGOQNOKSA-N 1 1 398.438 3.597 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448034770 872723644 /nfs/dbraw/zinc/72/36/44/872723644.db2.gz LGEYGXBBXONZDT-QRWLVFNGSA-N 1 1 382.464 3.825 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCN3CCOCC3)s2)cc1 ZINC000102422749 873056839 /nfs/dbraw/zinc/05/68/39/873056839.db2.gz CULBREMQYSSFGF-UHFFFAOYSA-N 1 1 375.494 3.525 20 5 GHBDMO COc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1OC(C)C ZINC000768150857 873093985 /nfs/dbraw/zinc/09/39/85/873093985.db2.gz LPYFDFBINPUAPB-UHFFFAOYSA-N 1 1 385.464 3.713 20 5 GHBDMO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000768541172 873372486 /nfs/dbraw/zinc/37/24/86/873372486.db2.gz FUZZWAZFIPBHFI-UHFFFAOYSA-N 1 1 383.876 3.985 20 5 GHBDMO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC001197253971 873677017 /nfs/dbraw/zinc/67/70/17/873677017.db2.gz DNMHIMOYAPJPRT-QGZVFWFLSA-N 1 1 379.254 3.913 20 5 GHBDMO CC[C@@H](CO)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000541588260 873934097 /nfs/dbraw/zinc/93/40/97/873934097.db2.gz CBNKKPVFVILEDL-SFHVURJKSA-N 1 1 385.464 3.505 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)nc1 ZINC000769461875 874086190 /nfs/dbraw/zinc/08/61/90/874086190.db2.gz AFYFJNXUFDRDEF-SFHVURJKSA-N 1 1 381.480 3.667 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCC[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001198183841 874248878 /nfs/dbraw/zinc/24/88/78/874248878.db2.gz JQARODWZUJGENV-OXQOHEQNSA-N 1 1 375.469 3.864 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCC[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001198183841 874248886 /nfs/dbraw/zinc/24/88/86/874248886.db2.gz JQARODWZUJGENV-OXQOHEQNSA-N 1 1 375.469 3.864 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)nc2c1 ZINC000769735273 874272323 /nfs/dbraw/zinc/27/23/23/874272323.db2.gz WCGZEILGWODFNC-KSSFIOAISA-N 1 1 384.436 3.932 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)nc2c1 ZINC000769735273 874272334 /nfs/dbraw/zinc/27/23/34/874272334.db2.gz WCGZEILGWODFNC-KSSFIOAISA-N 1 1 384.436 3.932 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000804396810 882810868 /nfs/dbraw/zinc/81/08/68/882810868.db2.gz JLCIIGNQDDDPBF-CYBMUJFWSA-N 1 1 376.438 3.889 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000770021875 874410382 /nfs/dbraw/zinc/41/03/82/874410382.db2.gz XPJHNDZIGJAZKL-XJKSGUPXSA-N 1 1 398.891 3.507 20 5 GHBDMO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000464767527 874460341 /nfs/dbraw/zinc/46/03/41/874460341.db2.gz GGMDWBGECWUCMP-KKSFZXQISA-N 1 1 380.448 3.512 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000475724247 882853760 /nfs/dbraw/zinc/85/37/60/882853760.db2.gz SEYAUHNWVKHROO-LJQANCHMSA-N 1 1 398.459 3.662 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000464983872 874867020 /nfs/dbraw/zinc/86/70/20/874867020.db2.gz NDCCFBBWFKHNIK-LJQANCHMSA-N 1 1 395.503 3.853 20 5 GHBDMO Cc1nn(-c2ccncc2)cc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449499522 874961312 /nfs/dbraw/zinc/96/13/12/874961312.db2.gz MFPYBMNDXQAIAP-SFHVURJKSA-N 1 1 377.448 3.864 20 5 GHBDMO Cc1nn(-c2ccncc2)cc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449499522 874961322 /nfs/dbraw/zinc/96/13/22/874961322.db2.gz MFPYBMNDXQAIAP-SFHVURJKSA-N 1 1 377.448 3.864 20 5 GHBDMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105464815 875299999 /nfs/dbraw/zinc/29/99/99/875299999.db2.gz JUJWDPIURPYYIP-INIZCTEOSA-N 1 1 386.471 3.727 20 5 GHBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)C1 ZINC000465198095 875309805 /nfs/dbraw/zinc/30/98/05/875309805.db2.gz STJMGRWYALZUKB-ZDUSSCGKSA-N 1 1 375.450 3.629 20 5 GHBDMO C[C@H](CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000491591525 875824824 /nfs/dbraw/zinc/82/48/24/875824824.db2.gz MCBRZTFNWJPFLJ-QGZVFWFLSA-N 1 1 393.491 3.735 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCN(c4ccccc4)CC3)co2)cc1 ZINC000153111939 875915817 /nfs/dbraw/zinc/91/58/17/875915817.db2.gz PTCJDRFXRIGIBD-UHFFFAOYSA-N 1 1 378.432 3.962 20 5 GHBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450330187 876269088 /nfs/dbraw/zinc/26/90/88/876269088.db2.gz IDOSKCGPUDNZLK-OAHLLOKOSA-N 1 1 395.488 3.997 20 5 GHBDMO CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000786136516 876501996 /nfs/dbraw/zinc/50/19/96/876501996.db2.gz SHTZTIJOZLDWOP-UZLBHIALSA-N 1 1 385.464 3.676 20 5 GHBDMO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610001740 877272867 /nfs/dbraw/zinc/27/28/67/877272867.db2.gz RRIAQPBRIHSXBN-NRFANRHFSA-N 1 1 398.438 3.958 20 5 GHBDMO C[C@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000477253956 877304948 /nfs/dbraw/zinc/30/49/48/877304948.db2.gz IRDJHKAVWNYIHJ-YCRPNKLZSA-N 1 1 399.466 3.864 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000610044318 877325137 /nfs/dbraw/zinc/32/51/37/877325137.db2.gz GIQSVAORFYSXMD-INIZCTEOSA-N 1 1 397.475 3.904 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000195684761 877433925 /nfs/dbraw/zinc/43/39/25/877433925.db2.gz ZERXZRNIKDAUNW-MRXNPFEDSA-N 1 1 396.491 3.941 20 5 GHBDMO CCOc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492819543 877588766 /nfs/dbraw/zinc/58/87/66/877588766.db2.gz SIOJSYGVEGWIPI-XLIONFOSSA-N 1 1 383.492 3.994 20 5 GHBDMO CCOc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492819543 877588772 /nfs/dbraw/zinc/58/87/72/877588772.db2.gz SIOJSYGVEGWIPI-XLIONFOSSA-N 1 1 383.492 3.994 20 5 GHBDMO Cc1nn(C[NH+]2CCC(OCCc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179544342 877704712 /nfs/dbraw/zinc/70/47/12/877704712.db2.gz YWEBCFMMYWPVBD-UHFFFAOYSA-N 1 1 394.475 3.934 20 5 GHBDMO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc(F)ccc1F ZINC000179788033 878016077 /nfs/dbraw/zinc/01/60/77/878016077.db2.gz QNESIYUVFDRUOB-KRWDZBQOSA-N 1 1 375.375 3.503 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000530553123 878048379 /nfs/dbraw/zinc/04/83/79/878048379.db2.gz OGDWZVZOZMIHFT-GOSISDBHSA-N 1 1 384.432 3.656 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)c1cccc(Br)c1 ZINC000852171349 878117444 /nfs/dbraw/zinc/11/74/44/878117444.db2.gz DHPGOAKJEDWBQO-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)c1cccc(Br)c1 ZINC000852171349 878117460 /nfs/dbraw/zinc/11/74/60/878117460.db2.gz DHPGOAKJEDWBQO-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593725 878303778 /nfs/dbraw/zinc/30/37/78/878303778.db2.gz WVSNHZDCLWLZBY-UXHICEINSA-N 1 1 380.448 3.742 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593725 878303801 /nfs/dbraw/zinc/30/38/01/878303801.db2.gz WVSNHZDCLWLZBY-UXHICEINSA-N 1 1 380.448 3.742 20 5 GHBDMO CC(C)(C)OC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000852486901 878368244 /nfs/dbraw/zinc/36/82/44/878368244.db2.gz GWZZPUJPYNPQET-UHFFFAOYSA-N 1 1 393.440 3.837 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)s1 ZINC000852773920 878588963 /nfs/dbraw/zinc/58/89/63/878588963.db2.gz JHMJHZSWONTJRI-GFCCVEGCSA-N 1 1 395.868 3.871 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)s1 ZINC000852773920 878588976 /nfs/dbraw/zinc/58/89/76/878588976.db2.gz JHMJHZSWONTJRI-GFCCVEGCSA-N 1 1 395.868 3.871 20 5 GHBDMO COc1cc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000451917039 878645513 /nfs/dbraw/zinc/64/55/13/878645513.db2.gz WLMONONGNNNTBU-KRWDZBQOSA-N 1 1 385.247 3.908 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000853120658 878827133 /nfs/dbraw/zinc/82/71/33/878827133.db2.gz NWOZGNHTPQVNOT-IFMALSPDSA-N 1 1 395.503 3.520 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000853120658 878827139 /nfs/dbraw/zinc/82/71/39/878827139.db2.gz NWOZGNHTPQVNOT-IFMALSPDSA-N 1 1 395.503 3.520 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1Cc1ccccc1 ZINC000531189284 879281310 /nfs/dbraw/zinc/28/13/10/879281310.db2.gz GFUOMORHORFRHQ-WBVHZDCISA-N 1 1 392.459 3.859 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790169343 879505263 /nfs/dbraw/zinc/50/52/63/879505263.db2.gz MNRMHATXRLHQOA-PKOBYXMFSA-N 1 1 383.423 3.799 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000617344252 879612359 /nfs/dbraw/zinc/61/23/59/879612359.db2.gz DWYFPOFGACEYTO-CQSZACIVSA-N 1 1 399.441 3.562 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000494005566 879809773 /nfs/dbraw/zinc/80/97/73/879809773.db2.gz ANGZYNVJPGAYDV-PBHICJAKSA-N 1 1 385.489 3.710 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000494005567 879810430 /nfs/dbraw/zinc/81/04/30/879810430.db2.gz ANGZYNVJPGAYDV-RHSMWYFYSA-N 1 1 385.489 3.710 20 5 GHBDMO O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452855496 880151717 /nfs/dbraw/zinc/15/17/17/880151717.db2.gz PILJWNZDZCIJKX-PZJWPPBQSA-N 1 1 379.460 3.575 20 5 GHBDMO O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452855496 880151720 /nfs/dbraw/zinc/15/17/20/880151720.db2.gz PILJWNZDZCIJKX-PZJWPPBQSA-N 1 1 379.460 3.575 20 5 GHBDMO CCOc1ccc([C@@H](C)[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000453289582 880730312 /nfs/dbraw/zinc/73/03/12/880730312.db2.gz TYNDQIDKBNPHBX-CABCVRRESA-N 1 1 377.485 3.668 20 5 GHBDMO COc1cc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)cc([N+](=O)[O-])c1C ZINC000792526090 881155834 /nfs/dbraw/zinc/15/58/34/881155834.db2.gz YBLMWQPJTTYJNX-MJGOQNOKSA-N 1 1 395.459 3.668 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000499110945 881158607 /nfs/dbraw/zinc/15/86/07/881158607.db2.gz MAQRTRROKOBYDS-XLIONFOSSA-N 1 1 396.491 3.533 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000499110945 881158619 /nfs/dbraw/zinc/15/86/19/881158619.db2.gz MAQRTRROKOBYDS-XLIONFOSSA-N 1 1 396.491 3.533 20 5 GHBDMO CNc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000532183826 881305383 /nfs/dbraw/zinc/30/53/83/881305383.db2.gz LBBMKFYCDJNLOC-INIZCTEOSA-N 1 1 388.512 3.753 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383609 883129913 /nfs/dbraw/zinc/12/99/13/883129913.db2.gz WLQINKNZDASFNQ-QGZVFWFLSA-N 1 1 391.537 3.947 20 5 GHBDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000537695647 883251712 /nfs/dbraw/zinc/25/17/12/883251712.db2.gz AFVRRTBVFVXWBO-BTYIYWSLSA-N 1 1 392.459 3.819 20 5 GHBDMO O=c1[nH]c(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000286432188 912744273 /nfs/dbraw/zinc/74/42/73/912744273.db2.gz WBRDEFRKGVCWFU-CYBMUJFWSA-N 1 1 399.476 3.629 20 5 GHBDMO C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000498362253 884159389 /nfs/dbraw/zinc/15/93/89/884159389.db2.gz FHKDWDGVEIVVIB-ZIAGYGMSSA-N 1 1 388.493 3.569 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)c1 ZINC001130458422 884264473 /nfs/dbraw/zinc/26/44/73/884264473.db2.gz MXUCIXVQRBZXNC-GVDBMIGSSA-N 1 1 397.475 3.727 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001126674811 884540565 /nfs/dbraw/zinc/54/05/65/884540565.db2.gz AJLFRSDKBRHAGG-ZDUSSCGKSA-N 1 1 385.386 3.608 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000860299769 884542676 /nfs/dbraw/zinc/54/26/76/884542676.db2.gz JWAXNFDQGMJUNJ-HRAATJIYSA-N 1 1 379.460 3.837 20 5 GHBDMO C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+]1CCCC[C@@H]1C ZINC000498483195 884558832 /nfs/dbraw/zinc/55/88/32/884558832.db2.gz XJVBRDGFYRBFQO-UONOGXRCSA-N 1 1 388.493 3.711 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237678918 884771268 /nfs/dbraw/zinc/77/12/68/884771268.db2.gz GGVGITNQTXTQEL-CALCHBBNSA-N 1 1 399.539 3.841 20 5 GHBDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237678918 884771280 /nfs/dbraw/zinc/77/12/80/884771280.db2.gz GGVGITNQTXTQEL-CALCHBBNSA-N 1 1 399.539 3.841 20 5 GHBDMO COc1ccc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001130668727 884808771 /nfs/dbraw/zinc/80/87/71/884808771.db2.gz PNUUNDVEKJBBTN-ULQDDVLXSA-N 1 1 397.475 3.727 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)cn1 ZINC000761909525 884970597 /nfs/dbraw/zinc/97/05/97/884970597.db2.gz HIQGYVCNEMHBHM-UHFFFAOYSA-N 1 1 396.794 3.778 20 5 GHBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000919263230 885216594 /nfs/dbraw/zinc/21/65/94/885216594.db2.gz BESAZYWWTNNTND-HOTGVXAUSA-N 1 1 384.432 3.561 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000130579318 885355328 /nfs/dbraw/zinc/35/53/28/885355328.db2.gz XGQXLWTUGNUNKZ-ICSRJNTNSA-N 1 1 387.867 3.742 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000130579318 885355346 /nfs/dbraw/zinc/35/53/46/885355346.db2.gz XGQXLWTUGNUNKZ-ICSRJNTNSA-N 1 1 387.867 3.742 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)CCC(F)(F)F ZINC000861317978 885389558 /nfs/dbraw/zinc/38/95/58/885389558.db2.gz BIDYLJPFBHNPAA-UHFFFAOYSA-N 1 1 383.370 3.752 20 5 GHBDMO COc1c(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476457948 885892124 /nfs/dbraw/zinc/89/21/24/885892124.db2.gz IXPBVKXCZUGYHD-AEFFLSMTSA-N 1 1 397.475 3.634 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000532517954 885916556 /nfs/dbraw/zinc/91/65/56/885916556.db2.gz HRWBQTMMLOQMLP-KRWDZBQOSA-N 1 1 383.448 3.812 20 5 GHBDMO CC1CC[NH+](C[C@@H]2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000498894307 886043567 /nfs/dbraw/zinc/04/35/67/886043567.db2.gz ULQUSZQIEOPXMZ-LJQANCHMSA-N 1 1 375.513 3.808 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000532574469 886143425 /nfs/dbraw/zinc/14/34/25/886143425.db2.gz JWAUQCSVUZDCFL-VYDXJSESSA-N 1 1 383.448 3.808 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000532574458 886143695 /nfs/dbraw/zinc/14/36/95/886143695.db2.gz JWAUQCSVUZDCFL-HLLBOEOZSA-N 1 1 383.448 3.808 20 5 GHBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000532584218 886182867 /nfs/dbraw/zinc/18/28/67/886182867.db2.gz OJSAWEXGOBAVGZ-QGZVFWFLSA-N 1 1 383.448 3.846 20 5 GHBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1F ZINC000026256712 886242426 /nfs/dbraw/zinc/24/24/26/886242426.db2.gz BDEWBPZOAWWKGC-UHFFFAOYSA-N 1 1 375.400 3.512 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000556867840 886417961 /nfs/dbraw/zinc/41/79/61/886417961.db2.gz JJWLXTLTCNVJCZ-OXJNMPFZSA-N 1 1 378.432 3.574 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NCc3ccccc3C[NH+]3CCOCC3)sc2c1 ZINC000729629822 887118238 /nfs/dbraw/zinc/11/82/38/887118238.db2.gz FABJPYHCYDQOMY-UHFFFAOYSA-N 1 1 384.461 3.649 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NCc3cccc(C[NH+]4CCOCC4)c3)sc2c1 ZINC000729633223 887274897 /nfs/dbraw/zinc/27/48/97/887274897.db2.gz MCQBRTZQLUDVGQ-UHFFFAOYSA-N 1 1 384.461 3.649 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000488019101 887453242 /nfs/dbraw/zinc/45/32/42/887453242.db2.gz WLZCOCAXHFPSMT-OAHLLOKOSA-N 1 1 376.501 3.640 20 5 GHBDMO Cn1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000809688768 887707610 /nfs/dbraw/zinc/70/76/10/887707610.db2.gz OXVMWCSBRCRMAM-UHFFFAOYSA-N 1 1 395.419 3.578 20 5 GHBDMO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272545652 887716876 /nfs/dbraw/zinc/71/68/76/887716876.db2.gz QBBOWHCHAZCVBQ-QBIMZIAESA-N 1 1 386.477 3.581 20 5 GHBDMO Cc1ccc([C@@H]2CC[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)c(C)c1 ZINC000794657216 887733640 /nfs/dbraw/zinc/73/36/40/887733640.db2.gz UHTYMIDOAQZWAN-GOSISDBHSA-N 1 1 377.448 3.917 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000810128491 888194866 /nfs/dbraw/zinc/19/48/66/888194866.db2.gz NPAIEGLTLXFIAR-CQSZACIVSA-N 1 1 398.419 3.871 20 5 GHBDMO CCOc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)cc1 ZINC001184680651 913384856 /nfs/dbraw/zinc/38/48/56/913384856.db2.gz ATQAALILWSAAMF-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)c2)c1 ZINC000811784138 889997891 /nfs/dbraw/zinc/99/78/91/889997891.db2.gz ORARGHPVCASHAJ-NRFANRHFSA-N 1 1 389.459 3.553 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000533221720 890033368 /nfs/dbraw/zinc/03/33/68/890033368.db2.gz QMOZGTQLLJEIKL-KRWDZBQOSA-N 1 1 381.432 3.600 20 5 GHBDMO C[N@@H+](CCc1ccc(Br)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154158690 890138900 /nfs/dbraw/zinc/13/89/00/890138900.db2.gz ATOFXGXSMYIRGP-QGZVFWFLSA-N 1 1 379.254 3.565 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795106539 890297887 /nfs/dbraw/zinc/29/78/87/890297887.db2.gz XPQKCTWUUVAJTQ-HLLBOEOZSA-N 1 1 375.469 3.987 20 5 GHBDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000455089417 890314829 /nfs/dbraw/zinc/31/48/29/890314829.db2.gz DMPTWMOAJRFAJN-KRWDZBQOSA-N 1 1 382.464 3.573 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001133257623 890560946 /nfs/dbraw/zinc/56/09/46/890560946.db2.gz TYMFRVSIMKBGHW-KRWDZBQOSA-N 1 1 385.439 3.861 20 5 GHBDMO COC(=O)/C=C\c1ccc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000795179786 890925741 /nfs/dbraw/zinc/92/57/41/890925741.db2.gz NLYUBJILPUPLJH-IBHIWXBSSA-N 1 1 395.459 3.715 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2csc(Cl)c2Cl)cc1 ZINC000432258576 891200308 /nfs/dbraw/zinc/20/03/08/891200308.db2.gz ZUVCMUQEMKKOLU-UHFFFAOYSA-N 1 1 395.289 3.527 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1OC(F)F ZINC000813173705 891335918 /nfs/dbraw/zinc/33/59/18/891335918.db2.gz HBJITLFGJMQHKW-HNNXBMFYSA-N 1 1 392.358 3.628 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1OC(F)F ZINC000813173705 891335937 /nfs/dbraw/zinc/33/59/37/891335937.db2.gz HBJITLFGJMQHKW-HNNXBMFYSA-N 1 1 392.358 3.628 20 5 GHBDMO COc1ccc(NC(=O)C[NH+]2CCC(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000917131182 891400110 /nfs/dbraw/zinc/40/01/10/891400110.db2.gz KOTBGDPIBWHHGW-UHFFFAOYSA-N 1 1 375.469 3.834 20 5 GHBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000248732212 891463309 /nfs/dbraw/zinc/46/33/09/891463309.db2.gz LBXBWNKTHVGRQV-RXVVDRJESA-N 1 1 395.459 3.620 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000026345586 891940217 /nfs/dbraw/zinc/94/02/17/891940217.db2.gz FETGPQMDBCWINP-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)c1F ZINC001170718644 892136649 /nfs/dbraw/zinc/13/66/49/892136649.db2.gz LJMGDFUSMSYAOU-IYARVYRRSA-N 1 1 390.503 3.793 20 5 GHBDMO Cc1c(F)cc([N+](=O)[O-])cc1N[C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001170718776 892139531 /nfs/dbraw/zinc/13/95/31/892139531.db2.gz NLVUOQVOCUGACP-IYARVYRRSA-N 1 1 390.503 3.793 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(Sc4ccccn4)o3)C2)nc1 ZINC000508680493 892473732 /nfs/dbraw/zinc/47/37/32/892473732.db2.gz PLQQVVIMGMYIEF-CQSZACIVSA-N 1 1 397.460 3.815 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(Sc4ccccn4)o3)C2)nc1 ZINC000508680493 892473736 /nfs/dbraw/zinc/47/37/36/892473736.db2.gz PLQQVVIMGMYIEF-CQSZACIVSA-N 1 1 397.460 3.815 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194533712 892918107 /nfs/dbraw/zinc/91/81/07/892918107.db2.gz YQBVNFORIPHPFP-SFHVURJKSA-N 1 1 397.475 3.588 20 5 GHBDMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1csc([N+](=O)[O-])c1 ZINC001134821977 893328909 /nfs/dbraw/zinc/32/89/09/893328909.db2.gz YQSWNWVQWQMBRY-SOLBZPMBSA-N 1 1 385.489 3.687 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000774854483 913803127 /nfs/dbraw/zinc/80/31/27/913803127.db2.gz UXNJUQXWOKEJRU-UHFFFAOYSA-N 1 1 396.447 3.778 20 5 GHBDMO Cc1csc([C@@H]2CC[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000877813903 893822380 /nfs/dbraw/zinc/82/23/80/893822380.db2.gz PXGMYMWROQIHRA-OAHLLOKOSA-N 1 1 383.477 3.750 20 5 GHBDMO C[N@H+]1C[C@@]23CN(C(=O)c4cc([N+](=O)[O-])cc(C(F)(F)F)c4)C[C@]2(C1)CCCC3 ZINC001135075879 893956344 /nfs/dbraw/zinc/95/63/44/893956344.db2.gz CHCKROCMQRXPHZ-HDICACEKSA-N 1 1 397.397 3.562 20 5 GHBDMO CCC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000878125346 894036812 /nfs/dbraw/zinc/03/68/12/894036812.db2.gz LATDTRMYXGGIFD-BMGDILEWSA-N 1 1 386.452 3.670 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccnn2C)cc1OC ZINC000879684888 895233954 /nfs/dbraw/zinc/23/39/54/895233954.db2.gz BHVLQABFUUNRPM-ZIAGYGMSSA-N 1 1 376.457 3.613 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000565297920 895515003 /nfs/dbraw/zinc/51/50/03/895515003.db2.gz RYOUKQUKBNEHFN-DBVUQKKJSA-N 1 1 389.496 3.757 20 5 GHBDMO C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000565307922 895521552 /nfs/dbraw/zinc/52/15/52/895521552.db2.gz OZJMKYQNKVYJHQ-QVKFZJNVSA-N 1 1 385.439 3.618 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000565565188 895726729 /nfs/dbraw/zinc/72/67/29/895726729.db2.gz LWBSZHJCWLJREF-MDYRTPRTSA-N 1 1 386.452 3.640 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000565565188 895726746 /nfs/dbraw/zinc/72/67/46/895726746.db2.gz LWBSZHJCWLJREF-MDYRTPRTSA-N 1 1 386.452 3.640 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000819186255 896455661 /nfs/dbraw/zinc/45/56/61/896455661.db2.gz XHFPBYIGHCYVED-FXAWDEMLSA-N 1 1 394.475 3.540 20 5 GHBDMO CC[C@H](c1ccncc1)[N@H+](CC)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000131516998 897489455 /nfs/dbraw/zinc/48/94/55/897489455.db2.gz DMZUJUMZWIDCKE-GOSISDBHSA-N 1 1 395.463 3.681 20 5 GHBDMO CC[C@H](c1ccncc1)[N@@H+](CC)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000131516998 897489466 /nfs/dbraw/zinc/48/94/66/897489466.db2.gz DMZUJUMZWIDCKE-GOSISDBHSA-N 1 1 395.463 3.681 20 5 GHBDMO Cn1cc([C@H]2C[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000821336734 897841693 /nfs/dbraw/zinc/84/16/93/897841693.db2.gz JAAWBTXPXIKZMV-CQSZACIVSA-N 1 1 393.285 3.716 20 5 GHBDMO Cn1cc([C@H]2C[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000821336734 897841704 /nfs/dbraw/zinc/84/17/04/897841704.db2.gz JAAWBTXPXIKZMV-CQSZACIVSA-N 1 1 393.285 3.716 20 5 GHBDMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000103478070 898096304 /nfs/dbraw/zinc/09/63/04/898096304.db2.gz OBNIVLRHKFDMLW-QGZVFWFLSA-N 1 1 388.471 3.937 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000569030017 898285568 /nfs/dbraw/zinc/28/55/68/898285568.db2.gz BOLLUCBZLHFGST-MRXNPFEDSA-N 1 1 392.839 3.919 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000569030017 898285584 /nfs/dbraw/zinc/28/55/84/898285584.db2.gz BOLLUCBZLHFGST-MRXNPFEDSA-N 1 1 392.839 3.919 20 5 GHBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000822426429 898362905 /nfs/dbraw/zinc/36/29/05/898362905.db2.gz ITAYMUHOYYRRPQ-QFBILLFUSA-N 1 1 385.851 3.595 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822550075 898467170 /nfs/dbraw/zinc/46/71/70/898467170.db2.gz FIGGXOYOKJQLDK-CALCHBBNSA-N 1 1 375.513 3.616 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)o2)c1 ZINC000289624916 914268930 /nfs/dbraw/zinc/26/89/30/914268930.db2.gz RPCYXOVKLWUCSJ-FXAWDEMLSA-N 1 1 383.448 3.826 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000569829794 898973831 /nfs/dbraw/zinc/97/38/31/898973831.db2.gz OAKNKECKKUVMMC-HWKANZROSA-N 1 1 375.432 3.853 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000570223250 899204018 /nfs/dbraw/zinc/20/40/18/899204018.db2.gz PZQPOGBHPGRFHP-AWEZNQCLSA-N 1 1 393.390 3.632 20 5 GHBDMO C[C@@H](NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000118029519 899403887 /nfs/dbraw/zinc/40/38/87/899403887.db2.gz RJWMQUSEHJTVHS-HZPDHXFCSA-N 1 1 398.463 3.871 20 5 GHBDMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570649740 899471731 /nfs/dbraw/zinc/47/17/31/899471731.db2.gz MGNXWBARGUIPBW-RTWAWAEBSA-N 1 1 393.487 3.823 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824696249 899772113 /nfs/dbraw/zinc/77/21/13/899772113.db2.gz JFWNLSMQVYZNLF-MJEQTWJJSA-N 1 1 383.286 3.873 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)o1 ZINC000572683478 900247626 /nfs/dbraw/zinc/24/76/26/900247626.db2.gz XPNMHNODHNXXOK-UHFFFAOYSA-N 1 1 382.395 3.711 20 5 GHBDMO Cc1cc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000575098567 901120414 /nfs/dbraw/zinc/12/04/14/901120414.db2.gz OMDSTEIYVSZQNW-RTBURBONSA-N 1 1 394.475 3.889 20 5 GHBDMO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000576081606 901660818 /nfs/dbraw/zinc/66/08/18/901660818.db2.gz VWAACWQSPXBDBG-FQEVSTJZSA-N 1 1 396.491 3.696 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000778950446 902097902 /nfs/dbraw/zinc/09/79/02/902097902.db2.gz KHTSBPMWSZWQQI-JKSUJKDBSA-N 1 1 393.484 3.729 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778982584 902462585 /nfs/dbraw/zinc/46/25/85/902462585.db2.gz USPOKBLKAWCUDH-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778982584 902462593 /nfs/dbraw/zinc/46/25/93/902462593.db2.gz USPOKBLKAWCUDH-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO COc1ccc([C@@H](CCO)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000128790984 902716576 /nfs/dbraw/zinc/71/65/76/902716576.db2.gz FKAHTBZXACBZSI-LJQANCHMSA-N 1 1 399.472 3.940 20 5 GHBDMO COCCc1ncc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000601118460 903355046 /nfs/dbraw/zinc/35/50/46/903355046.db2.gz NFYBITDKMVNXMG-UHFFFAOYSA-N 1 1 375.372 3.549 20 5 GHBDMO CCOc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC ZINC000601150628 903395429 /nfs/dbraw/zinc/39/54/29/903395429.db2.gz ZWHLUHVLQNHAMH-LJQANCHMSA-N 1 1 394.855 3.653 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000889884055 904819738 /nfs/dbraw/zinc/81/97/38/904819738.db2.gz JCCSAZCEYVGSTP-PKOBYXMFSA-N 1 1 381.476 3.852 20 5 GHBDMO COc1cccc(C2([NH2+]Cc3ccc([N+](=O)[O-])c(F)c3)CCOCC2)c1F ZINC000801551418 921123241 /nfs/dbraw/zinc/12/32/41/921123241.db2.gz SNIGRTZGKKHIKR-UHFFFAOYSA-N 1 1 378.375 3.677 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000801577635 921151448 /nfs/dbraw/zinc/15/14/48/921151448.db2.gz PGWWZYZPXPWKIW-FQEVSTJZSA-N 1 1 393.484 3.730 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000801582087 921160613 /nfs/dbraw/zinc/16/06/13/921160613.db2.gz RYBMUDWFHFFFOG-QFIPXVFZSA-N 1 1 384.476 3.908 20 5 GHBDMO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904353 905926458 /nfs/dbraw/zinc/92/64/58/905926458.db2.gz XOBNXWHDRPDZIY-DENIHFKCSA-N 1 1 382.460 3.606 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3Cc4ccc(F)cc4C3)CC2)c(F)c1 ZINC001173017595 906095649 /nfs/dbraw/zinc/09/56/49/906095649.db2.gz GSOVDFFOTUHOMJ-UHFFFAOYSA-N 1 1 377.366 3.997 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](CCN(C)C)c2ccccc2)c1F ZINC001173178246 906256672 /nfs/dbraw/zinc/25/66/72/906256672.db2.gz KMPNUGPSCMIMMT-MAUKXSAKSA-N 1 1 389.471 3.956 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2CC[NH+](CC3CCC3)CC2)c1F ZINC001173181147 906260463 /nfs/dbraw/zinc/26/04/63/906260463.db2.gz NZLBOJOBXCUHGW-AWEZNQCLSA-N 1 1 379.476 3.528 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)c1F ZINC001173181386 906261324 /nfs/dbraw/zinc/26/13/24/906261324.db2.gz PJABEVPFPVWYMU-DQYPLSBCSA-N 1 1 384.407 3.585 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(c3ccc(Cl)cc3)COC2)c1F ZINC001173189018 906270206 /nfs/dbraw/zinc/27/02/06/906270206.db2.gz MXVXTHZWZRCOKR-GFCCVEGCSA-N 1 1 394.830 3.842 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1F ZINC001173193622 906276667 /nfs/dbraw/zinc/27/66/67/906276667.db2.gz UQZYXAWHQIAOCK-LSDHHAIUSA-N 1 1 389.427 3.530 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCOC[C@H]2C2CCCCC2)c1F ZINC001173194008 906278683 /nfs/dbraw/zinc/27/86/83/906278683.db2.gz WJDVCGFMMCMZKN-KSSFIOAISA-N 1 1 380.460 3.955 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCOC[C@H]2C2CCCCC2)c1F ZINC001173194008 906278692 /nfs/dbraw/zinc/27/86/92/906278692.db2.gz WJDVCGFMMCMZKN-KSSFIOAISA-N 1 1 380.460 3.955 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001173223115 906303279 /nfs/dbraw/zinc/30/32/79/906303279.db2.gz YARIGJFMEXVNAU-CVEARBPZSA-N 1 1 377.485 3.857 20 5 GHBDMO CCOC(=O)C[N@H+](Cc1ccc(OC)cc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227298 906310752 /nfs/dbraw/zinc/31/07/52/906310752.db2.gz PHRHVSKYKKWGRD-INIZCTEOSA-N 1 1 386.448 3.600 20 5 GHBDMO CCOC(=O)C[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227298 906310763 /nfs/dbraw/zinc/31/07/63/906310763.db2.gz PHRHVSKYKKWGRD-INIZCTEOSA-N 1 1 386.448 3.600 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001173233685 906320112 /nfs/dbraw/zinc/32/01/12/906320112.db2.gz MANPMBIIQAOAFU-NJAFHUGGSA-N 1 1 389.496 3.715 20 5 GHBDMO CCOC(=O)[C@H]([NH3+])Cc1cn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173214248 906330433 /nfs/dbraw/zinc/33/04/33/906330433.db2.gz AAFNIEWZFMHEIH-FOIQADDNSA-N 1 1 395.459 3.786 20 5 GHBDMO C[NH+]1CCC2(CCN(Cc3cccc([N+](=O)[O-])c3Br)CC2)CC1 ZINC001175220550 907439460 /nfs/dbraw/zinc/43/94/60/907439460.db2.gz VWADOMWGWMADNG-UHFFFAOYSA-N 1 1 382.302 3.665 20 5 GHBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001175348661 907486959 /nfs/dbraw/zinc/48/69/59/907486959.db2.gz AOGWNEDXDNSOTF-MRXNPFEDSA-N 1 1 385.247 3.773 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])cc1F ZINC000184306390 907557847 /nfs/dbraw/zinc/55/78/47/907557847.db2.gz BDLOKSUHOIWSNR-ZDUSSCGKSA-N 1 1 387.411 3.720 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357473 907605844 /nfs/dbraw/zinc/60/58/44/907605844.db2.gz UPLMSSKBTLDKMH-IBGZPJMESA-N 1 1 389.883 3.629 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1OC ZINC001175882237 907789608 /nfs/dbraw/zinc/78/96/08/907789608.db2.gz FSIZVIWAKMXECE-JQHSSLGASA-N 1 1 391.512 3.697 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001176201956 907980423 /nfs/dbraw/zinc/98/04/23/907980423.db2.gz JRIOEMKCQBLVBQ-GUYCJALGSA-N 1 1 385.386 3.896 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)ccc1Br ZINC000777438080 908128815 /nfs/dbraw/zinc/12/88/15/908128815.db2.gz LAMFDWRWCSZALT-KRWDZBQOSA-N 1 1 395.228 3.590 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)ccc1Br ZINC000777438080 908128824 /nfs/dbraw/zinc/12/88/24/908128824.db2.gz LAMFDWRWCSZALT-KRWDZBQOSA-N 1 1 395.228 3.590 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193883797 908780025 /nfs/dbraw/zinc/78/00/25/908780025.db2.gz DHGFGPOUCBPNRH-GOSISDBHSA-N 1 1 382.464 3.855 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC2)[nH+]c1C ZINC001178042888 908883102 /nfs/dbraw/zinc/88/31/02/908883102.db2.gz MNXFQIJYQAZWFB-UHFFFAOYSA-N 1 1 394.378 3.556 20 5 GHBDMO CSc1ccc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000195676902 909030360 /nfs/dbraw/zinc/03/03/60/909030360.db2.gz YHVAWKWJCMBBDM-GASCZTMLSA-N 1 1 379.526 3.805 20 5 GHBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195718814 909036165 /nfs/dbraw/zinc/03/61/65/909036165.db2.gz JARHQXCAYFGGFV-ROUUACIJSA-N 1 1 397.258 3.871 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)sc2c1 ZINC000795210193 909340751 /nfs/dbraw/zinc/34/07/51/909340751.db2.gz WMRPKTCJVGMWCN-IYBDPMFKSA-N 1 1 380.473 3.773 20 5 GHBDMO O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178993232 909349035 /nfs/dbraw/zinc/34/90/35/909349035.db2.gz DVZBRJTZBLECTM-NRFANRHFSA-N 1 1 398.466 3.623 20 5 GHBDMO O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178993232 909349047 /nfs/dbraw/zinc/34/90/47/909349047.db2.gz DVZBRJTZBLECTM-NRFANRHFSA-N 1 1 398.466 3.623 20 5 GHBDMO CCC[N@@H+]1CC[C@@H](NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC001179238282 909435504 /nfs/dbraw/zinc/43/55/04/909435504.db2.gz JJNZQTXLXDIANV-LJQANCHMSA-N 1 1 399.491 3.756 20 5 GHBDMO CCC[N@H+]1CC[C@@H](NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC001179238282 909435514 /nfs/dbraw/zinc/43/55/14/909435514.db2.gz JJNZQTXLXDIANV-LJQANCHMSA-N 1 1 399.491 3.756 20 5 GHBDMO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000267614083 909566293 /nfs/dbraw/zinc/56/62/93/909566293.db2.gz OPVXZLRQTOHIKD-UHFFFAOYSA-N 1 1 398.394 3.726 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]Cc2cnn(CCF)c2)o1 ZINC001179696611 909651802 /nfs/dbraw/zinc/65/18/02/909651802.db2.gz VCINXKUVENWOHK-UHFFFAOYSA-N 1 1 378.791 3.964 20 5 GHBDMO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245811158 909936896 /nfs/dbraw/zinc/93/68/96/909936896.db2.gz QYGVTSPRYDKXPG-UZLBHIALSA-N 1 1 385.464 3.594 20 5 GHBDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245811158 909936903 /nfs/dbraw/zinc/93/69/03/909936903.db2.gz QYGVTSPRYDKXPG-UZLBHIALSA-N 1 1 385.464 3.594 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269529244 910295869 /nfs/dbraw/zinc/29/58/69/910295869.db2.gz RSZHSVIPDFJFGS-WBVHZDCISA-N 1 1 399.495 3.566 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269529244 910295880 /nfs/dbraw/zinc/29/58/80/910295880.db2.gz RSZHSVIPDFJFGS-WBVHZDCISA-N 1 1 399.495 3.566 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269529244 910295894 /nfs/dbraw/zinc/29/58/94/910295894.db2.gz RSZHSVIPDFJFGS-WBVHZDCISA-N 1 1 399.495 3.566 20 5 GHBDMO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000284041993 911729693 /nfs/dbraw/zinc/72/96/93/911729693.db2.gz IZWGWXVQTZLGII-GFCCVEGCSA-N 1 1 375.381 3.679 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000801972331 921712805 /nfs/dbraw/zinc/71/28/05/921712805.db2.gz LNKXXCIHJRYAQH-UHFFFAOYSA-N 1 1 383.839 3.994 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000801972331 921712817 /nfs/dbraw/zinc/71/28/17/921712817.db2.gz LNKXXCIHJRYAQH-UHFFFAOYSA-N 1 1 383.839 3.994 20 5 GHBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@H](OCC)C1(C)C ZINC000303818838 915157077 /nfs/dbraw/zinc/15/70/77/915157077.db2.gz JREBVTJWMZDNQL-MSOLQXFVSA-N 1 1 378.469 3.877 20 5 GHBDMO CCOc1cc(NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)ccc1[N+](=O)[O-] ZINC001187351104 915215182 /nfs/dbraw/zinc/21/51/82/915215182.db2.gz BRIWCCZZVHCHMR-LJQANCHMSA-N 1 1 385.464 3.615 20 5 GHBDMO CCOc1cc(NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)ccc1[N+](=O)[O-] ZINC001187351104 915215191 /nfs/dbraw/zinc/21/51/91/915215191.db2.gz BRIWCCZZVHCHMR-LJQANCHMSA-N 1 1 385.464 3.615 20 5 GHBDMO C[C@H](c1ccc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000296822622 918802645 /nfs/dbraw/zinc/80/26/45/918802645.db2.gz XMVJVAUYZYVGQX-JKSUJKDBSA-N 1 1 398.463 3.871 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(Br)cc1O ZINC000113324442 919366023 /nfs/dbraw/zinc/36/60/23/919366023.db2.gz QLXRBUNLQZPJCC-SNVBAGLBSA-N 1 1 381.226 3.922 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000119288724 919617701 /nfs/dbraw/zinc/61/77/01/919617701.db2.gz ULIYSUSSKKZXBG-HNNXBMFYSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000119288724 919617710 /nfs/dbraw/zinc/61/77/10/919617710.db2.gz ULIYSUSSKKZXBG-HNNXBMFYSA-N 1 1 387.867 3.890 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007681329 919769159 /nfs/dbraw/zinc/76/91/59/919769159.db2.gz SHPLIYHTIKZUIJ-AWEZNQCLSA-N 1 1 384.436 3.575 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007681329 919769162 /nfs/dbraw/zinc/76/91/62/919769162.db2.gz SHPLIYHTIKZUIJ-AWEZNQCLSA-N 1 1 384.436 3.575 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@](F)(COC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000802146679 921860604 /nfs/dbraw/zinc/86/06/04/921860604.db2.gz ORIANTKEBFJFFF-IIBYNOLFSA-N 1 1 386.423 3.856 20 5 GHBDMO COc1cc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000903161748 922820664 /nfs/dbraw/zinc/82/06/64/922820664.db2.gz XBWVQCPFJJSMDP-NSHDSACASA-N 1 1 398.868 3.511 20 5 GHBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000748511327 923701000 /nfs/dbraw/zinc/70/10/00/923701000.db2.gz RMZSLGUTSCDHLN-UHFFFAOYSA-N 1 1 383.452 3.544 20 5 GHBDMO CCS[C@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000411295502 926279399 /nfs/dbraw/zinc/27/93/99/926279399.db2.gz JHIQOEAHOTWPSA-ZFWWWQNUSA-N 1 1 381.498 3.538 20 5 GHBDMO CCCN(Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000725782758 926437163 /nfs/dbraw/zinc/43/71/63/926437163.db2.gz NNYSYLGVHBYXEJ-HXUWFJFHSA-N 1 1 385.512 3.742 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CC[NH+](Cc3cccc4cccnc43)CC2)c(F)c1 ZINC000749317112 927048956 /nfs/dbraw/zinc/04/89/56/927048956.db2.gz XPLSZSLXYHECQN-UHFFFAOYSA-N 1 1 384.386 3.743 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1 ZINC000749915315 927346583 /nfs/dbraw/zinc/34/65/83/927346583.db2.gz XSCSCXYHLPRNKJ-CQSZACIVSA-N 1 1 389.839 3.685 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1 ZINC000749915315 927346595 /nfs/dbraw/zinc/34/65/95/927346595.db2.gz XSCSCXYHLPRNKJ-CQSZACIVSA-N 1 1 389.839 3.685 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000750032050 927397708 /nfs/dbraw/zinc/39/77/08/927397708.db2.gz FAKPVUMEMMKUHV-LJQANCHMSA-N 1 1 384.432 3.802 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)cs1 ZINC000751503689 928226163 /nfs/dbraw/zinc/22/61/63/928226163.db2.gz ALMWAJYHXMHHDR-ZDUSSCGKSA-N 1 1 380.775 3.849 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@H]2c2ccccc2)cc1 ZINC000544055892 928743772 /nfs/dbraw/zinc/74/37/72/928743772.db2.gz KJJHZOOUHBVQTH-FQEVSTJZSA-N 1 1 388.489 3.986 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCCCC[C@H]2c2ccccc2)cc1 ZINC000544055892 928743779 /nfs/dbraw/zinc/74/37/79/928743779.db2.gz KJJHZOOUHBVQTH-FQEVSTJZSA-N 1 1 388.489 3.986 20 5 GHBDMO CO[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000752320884 928755301 /nfs/dbraw/zinc/75/53/01/928755301.db2.gz KMOZUZZPMJROLD-YJBOKZPZSA-N 1 1 389.839 3.649 20 5 GHBDMO CO[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000752320884 928755310 /nfs/dbraw/zinc/75/53/10/928755310.db2.gz KMOZUZZPMJROLD-YJBOKZPZSA-N 1 1 389.839 3.649 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000544145182 928864691 /nfs/dbraw/zinc/86/46/91/928864691.db2.gz KLVXBGAESKAOLB-GOSISDBHSA-N 1 1 388.489 3.638 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000544145182 928864696 /nfs/dbraw/zinc/86/46/96/928864696.db2.gz KLVXBGAESKAOLB-GOSISDBHSA-N 1 1 388.489 3.638 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000544188149 928909714 /nfs/dbraw/zinc/90/97/14/928909714.db2.gz RFPMJBZETNCWIO-RDJZCZTQSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000544188149 928909728 /nfs/dbraw/zinc/90/97/28/928909728.db2.gz RFPMJBZETNCWIO-RDJZCZTQSA-N 1 1 383.448 3.728 20 5 GHBDMO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000469150616 929634831 /nfs/dbraw/zinc/63/48/31/929634831.db2.gz TXKSOFAXBJOYJU-UHFFFAOYSA-N 1 1 397.884 3.891 20 5 GHBDMO CC[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757097606 929637387 /nfs/dbraw/zinc/63/73/87/929637387.db2.gz COWKZGFDHUVOAV-CJNGLKHVSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757097606 929637390 /nfs/dbraw/zinc/63/73/90/929637390.db2.gz COWKZGFDHUVOAV-CJNGLKHVSA-N 1 1 381.448 3.859 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)c3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000757902039 929848421 /nfs/dbraw/zinc/84/84/21/929848421.db2.gz NGBVUPJIBYROTA-OXQOHEQNSA-N 1 1 384.432 3.843 20 5 GHBDMO Cc1ccnc(C2CC[NH+](Cc3c(Br)cccc3[N+](=O)[O-])CC2)n1 ZINC000757929184 929858829 /nfs/dbraw/zinc/85/88/29/929858829.db2.gz PQCHOSXRXBWDBV-UHFFFAOYSA-N 1 1 391.269 3.835 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470129102 930393144 /nfs/dbraw/zinc/39/31/44/930393144.db2.gz SOXITYSINUECTL-INIZCTEOSA-N 1 1 386.427 3.720 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000470178172 930435943 /nfs/dbraw/zinc/43/59/43/930435943.db2.gz XBEXUBWGPXDQPS-FOWTUZBSSA-N 1 1 385.489 3.908 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000470178172 930435951 /nfs/dbraw/zinc/43/59/51/930435951.db2.gz XBEXUBWGPXDQPS-FOWTUZBSSA-N 1 1 385.489 3.908 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000470178727 930436060 /nfs/dbraw/zinc/43/60/60/930436060.db2.gz MUKOBRGTLCRZNN-KNTRCKAVSA-N 1 1 381.476 3.695 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782505015 931245398 /nfs/dbraw/zinc/24/53/98/931245398.db2.gz VSDCSGHJIVWGPB-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1c(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cccc1[N+](=O)[O-] ZINC000557459681 931444955 /nfs/dbraw/zinc/44/49/55/931444955.db2.gz MPDJNNPCHNXYBO-GOSISDBHSA-N 1 1 379.416 3.757 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cc([N+](=O)[O-])ccc1F ZINC000784328852 931857705 /nfs/dbraw/zinc/85/77/05/931857705.db2.gz SLAQYMVMEVBMJK-LKUPVBHCSA-N 1 1 397.450 3.764 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000558734530 932200699 /nfs/dbraw/zinc/20/06/99/932200699.db2.gz JSDXSTIJKRJRRE-OAQYLSRUSA-N 1 1 380.444 3.662 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@@]1(c2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000927119974 932420368 /nfs/dbraw/zinc/42/03/68/932420368.db2.gz NFFIWDUGVKRKIY-IFMALSPDSA-N 1 1 392.459 3.713 20 5 GHBDMO C[C@H](NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000798373252 932619384 /nfs/dbraw/zinc/61/93/84/932619384.db2.gz ZCWDSTHWJYHIMW-JTSKRJEESA-N 1 1 396.491 3.867 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559372630 932637010 /nfs/dbraw/zinc/63/70/10/932637010.db2.gz WRAXRDLBQIESCF-AWEZNQCLSA-N 1 1 387.402 3.998 20 5 GHBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2Cc2ccccc2Br)c1 ZINC000559479657 932699543 /nfs/dbraw/zinc/69/95/43/932699543.db2.gz TXXXBDJOXCHUQW-HNNXBMFYSA-N 1 1 393.285 3.651 20 5 GHBDMO COc1ccc(OCC[NH+]2CCC(C(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC001116225625 933417112 /nfs/dbraw/zinc/41/71/12/933417112.db2.gz TXVZEKOHFBKCBR-UHFFFAOYSA-N 1 1 390.461 3.639 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC001118591141 934204785 /nfs/dbraw/zinc/20/47/85/934204785.db2.gz HNJFZYHNZUVPHF-YVEFUNNKSA-N 1 1 387.871 3.645 20 5 GHBDMO CC(C)(NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000561706007 934381735 /nfs/dbraw/zinc/38/17/35/934381735.db2.gz AUZFLTJOVXPUGL-QGZVFWFLSA-N 1 1 399.466 3.997 20 5 GHBDMO COc1cccc([C@H]2[C@H](Nc3nc4ccccn4c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000778010252 934621022 /nfs/dbraw/zinc/62/10/22/934621022.db2.gz PFROZBNQJDPOGX-MJGOQNOKSA-N 1 1 393.447 3.641 20 5 GHBDMO CC1(C)C[C@H]([N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc2)C(C)(C)O1 ZINC000562156837 934733395 /nfs/dbraw/zinc/73/33/95/934733395.db2.gz DDAMBYWBUZJECV-IBGZPJMESA-N 1 1 399.491 3.605 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cccc1[N+](=O)[O-] ZINC000931912442 934762818 /nfs/dbraw/zinc/76/28/18/934762818.db2.gz CDXUSXMWSQDACD-XHDPSFHLSA-N 1 1 389.349 3.597 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cccc1[N+](=O)[O-] ZINC000931912442 934762820 /nfs/dbraw/zinc/76/28/20/934762820.db2.gz CDXUSXMWSQDACD-XHDPSFHLSA-N 1 1 389.349 3.597 20 5 GHBDMO C[N@H+](Cc1ccccc1)C[C@@H](Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000829833457 935870547 /nfs/dbraw/zinc/87/05/47/935870547.db2.gz FKLOONBMMWILIO-SFHVURJKSA-N 1 1 395.419 3.615 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](Nc4ncccn4)C3)s2)cc1 ZINC000520408404 1014560749 /nfs/dbraw/zinc/56/07/49/1014560749.db2.gz LCKUYQHYLATNET-OAHLLOKOSA-N 1 1 381.461 3.800 20 5 GHBDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000468944595 1016256132 /nfs/dbraw/zinc/25/61/32/1016256132.db2.gz LDDXEQLCIRRDPR-INIZCTEOSA-N 1 1 399.447 3.605 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470153006 1016738469 /nfs/dbraw/zinc/73/84/69/1016738469.db2.gz QMDYDMBOTVIZNS-LIRRHRJNSA-N 1 1 386.427 3.766 20 5 GHBDMO CSc1ccccc1C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000470991622 1016934863 /nfs/dbraw/zinc/93/48/63/1016934863.db2.gz FLCXMBDYQAMUBT-UHFFFAOYSA-N 1 1 387.461 3.747 20 5 GHBDMO Cc1ccc(CNC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001226902130 1032185311 /nfs/dbraw/zinc/18/53/11/1032185311.db2.gz OQCNRXUXZIKVEZ-HXUWFJFHSA-N 1 1 398.507 3.859 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001227122644 1032278635 /nfs/dbraw/zinc/27/86/35/1032278635.db2.gz SECIYHXWYPPJQM-KXBFYZLASA-N 1 1 384.432 3.671 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(F)cc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001227158734 1032298143 /nfs/dbraw/zinc/29/81/43/1032298143.db2.gz WUOCGQBCXDWOCR-CQSZACIVSA-N 1 1 380.803 3.667 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(F)cc1O[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001227158734 1032298154 /nfs/dbraw/zinc/29/81/54/1032298154.db2.gz WUOCGQBCXDWOCR-CQSZACIVSA-N 1 1 380.803 3.667 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)C1 ZINC001227518998 1032451112 /nfs/dbraw/zinc/45/11/12/1032451112.db2.gz SSKYGVZGEZGOKU-ZDUSSCGKSA-N 1 1 390.465 3.555 20 5 GHBDMO CC(=O)c1cc(C)cc([N+](=O)[O-])c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001228449831 1032941243 /nfs/dbraw/zinc/94/12/43/1032941243.db2.gz FIYWUWJNBACOEQ-IBGZPJMESA-N 1 1 398.459 3.776 20 5 GHBDMO CC(=O)c1cc(C)cc([N+](=O)[O-])c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001228449831 1032941245 /nfs/dbraw/zinc/94/12/45/1032941245.db2.gz FIYWUWJNBACOEQ-IBGZPJMESA-N 1 1 398.459 3.776 20 5 GHBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC001140350991 1021472023 /nfs/dbraw/zinc/47/20/23/1021472023.db2.gz PNQOXOWBHODMFR-SFHVURJKSA-N 1 1 397.406 3.517 20 5 GHBDMO CCC[N@@H+](C)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001140390197 1021548235 /nfs/dbraw/zinc/54/82/35/1021548235.db2.gz GKTUXXANXVCDJO-GOSISDBHSA-N 1 1 390.871 3.643 20 5 GHBDMO COc1cc([C@@H](C)[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903072944 1021572246 /nfs/dbraw/zinc/57/22/46/1021572246.db2.gz MOQNNJNYOBZLJU-QRWLVFNGSA-N 1 1 383.448 3.618 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000755031052 1023032818 /nfs/dbraw/zinc/03/28/18/1023032818.db2.gz SEDPZZSLRKMKBS-AAEUAGOBSA-N 1 1 399.289 3.694 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000755047823 1023043861 /nfs/dbraw/zinc/04/38/61/1023043861.db2.gz KDNIFCFQIXHAPZ-HOCLYGCPSA-N 1 1 393.484 3.729 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228805510 1033107047 /nfs/dbraw/zinc/10/70/47/1033107047.db2.gz KPTPQFYKPFNLCZ-CABCVRRESA-N 1 1 395.415 3.701 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228805517 1033108315 /nfs/dbraw/zinc/10/83/15/1033108315.db2.gz KPTPQFYKPFNLCZ-LSDHHAIUSA-N 1 1 395.415 3.701 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000755494081 1023271482 /nfs/dbraw/zinc/27/14/82/1023271482.db2.gz NLORVSZZDJOXLT-OKBDBCGNSA-N 1 1 379.460 3.777 20 5 GHBDMO CCCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ncsc2C1 ZINC000830817366 1024165771 /nfs/dbraw/zinc/16/57/71/1024165771.db2.gz XSEPBWLVCQILIF-QAPCUYQASA-N 1 1 375.494 3.744 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1F ZINC000839416136 1025900794 /nfs/dbraw/zinc/90/07/94/1025900794.db2.gz RUZOJUKJMHQUPR-HNNXBMFYSA-N 1 1 385.439 3.636 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)CC[NH2+]2)cc1 ZINC001139138014 1025952074 /nfs/dbraw/zinc/95/20/74/1025952074.db2.gz HLZAUPXTUCTIOT-IBGZPJMESA-N 1 1 397.475 3.731 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839479593 1025972100 /nfs/dbraw/zinc/97/21/00/1025972100.db2.gz FGQBQTLNKJTKAT-UHFFFAOYSA-N 1 1 384.318 3.910 20 5 GHBDMO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1ccc([S@@](C)=O)cc1 ZINC000839544460 1026038253 /nfs/dbraw/zinc/03/82/53/1026038253.db2.gz SWPLPJYFEGFQJR-BSNNYGBQSA-N 1 1 397.294 3.946 20 5 GHBDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000839607159 1026107339 /nfs/dbraw/zinc/10/73/39/1026107339.db2.gz WPGNZGLUDZFMAJ-DJJJIMSYSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000839607159 1026107349 /nfs/dbraw/zinc/10/73/49/1026107349.db2.gz WPGNZGLUDZFMAJ-DJJJIMSYSA-N 1 1 391.855 3.631 20 5 GHBDMO CSc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC001139361039 1026234257 /nfs/dbraw/zinc/23/42/57/1026234257.db2.gz DQAGNYXTMFUHOC-MRXNPFEDSA-N 1 1 377.510 3.844 20 5 GHBDMO Cc1ccc(-c2ccc(N3CC[N@H+](C)C[C@@H]3c3ccccc3)nn2)cc1[N+](=O)[O-] ZINC001163671280 1026276050 /nfs/dbraw/zinc/27/60/50/1026276050.db2.gz BABHBECJOQXQIY-OAQYLSRUSA-N 1 1 389.459 3.853 20 5 GHBDMO CC(C)Oc1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001163850032 1026338391 /nfs/dbraw/zinc/33/83/91/1026338391.db2.gz BNLPEJAYCZGTLF-RMKNXTFCSA-N 1 1 382.464 3.612 20 5 GHBDMO COC(=O)c1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc([N+](=O)[O-])c1 ZINC001164498796 1026534019 /nfs/dbraw/zinc/53/40/19/1026534019.db2.gz HKGVCZMSLPDTKU-MAODMQOUSA-N 1 1 395.459 3.704 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001165368361 1026712592 /nfs/dbraw/zinc/71/25/92/1026712592.db2.gz SVFQKJCPLQBOLS-UHFFFAOYSA-N 1 1 396.422 3.726 20 5 GHBDMO COc1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])cc1O ZINC001461228707 1069452183 /nfs/dbraw/zinc/45/21/83/1069452183.db2.gz DWLLITWGRBJELT-YJYMSZOUSA-N 1 1 391.493 3.543 20 5 GHBDMO Nc1cccc2[nH+]cn(-c3cc(C(=O)OCc4ccccc4)cc([N+](=O)[O-])c3)c21 ZINC001211409457 1027947015 /nfs/dbraw/zinc/94/70/15/1027947015.db2.gz VSXMKAPHOWMIPQ-UHFFFAOYSA-N 1 1 388.383 3.873 20 5 GHBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001142263503 1028522532 /nfs/dbraw/zinc/52/25/32/1028522532.db2.gz CQXCNCCEDPTMQC-HNNXBMFYSA-N 1 1 380.231 3.688 20 5 GHBDMO COc1nccc(C)c1-c1noc(-c2cc(-n3cc[nH+]c3C)ccc2[N+](=O)[O-])n1 ZINC001216552568 1029683488 /nfs/dbraw/zinc/68/34/88/1029683488.db2.gz DJZJYZSMTNBXEJ-UHFFFAOYSA-N 1 1 392.375 3.518 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])c(-c2nc(-c3cc(C)nc(C)c3)no2)c1 ZINC001216552982 1029683536 /nfs/dbraw/zinc/68/35/36/1029683536.db2.gz RNCZOIHOGFCIPS-UHFFFAOYSA-N 1 1 376.376 3.818 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])c(-c2nc(-c3cnc(C)c(C)c3)no2)c1 ZINC001216552885 1029683540 /nfs/dbraw/zinc/68/35/40/1029683540.db2.gz NNANZMASXATFSE-UHFFFAOYSA-N 1 1 376.376 3.818 20 5 GHBDMO COC(=O)c1c(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001223294184 1030513146 /nfs/dbraw/zinc/51/31/46/1030513146.db2.gz JNEUOYXSQOYLMY-OXJNMPFZSA-N 1 1 398.459 3.809 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1C[NH2+][C@H](C)C1 ZINC001218039577 1030737381 /nfs/dbraw/zinc/73/73/81/1030737381.db2.gz DQPMMPPXXBZFHS-UKRRQHHQSA-N 1 1 395.455 3.995 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4C[C@H]5[NH2+]CC[C@H]5C4)ccc3c21 ZINC001218248778 1030852009 /nfs/dbraw/zinc/85/20/09/1030852009.db2.gz VCEHYGRHKYWZTA-FABXCBLPSA-N 1 1 377.396 3.917 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1C[NH2+][C@H]1C ZINC001218389900 1030916917 /nfs/dbraw/zinc/91/69/17/1030916917.db2.gz ZTHOBZSRTLKWAE-BUXKBTBVSA-N 1 1 381.428 3.605 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2ncc(Cl)cc2[N+](=O)[O-])O1 ZINC001226131716 1031803630 /nfs/dbraw/zinc/80/36/30/1031803630.db2.gz PUQVZBNGKQQQMQ-MRXNPFEDSA-N 1 1 391.855 3.702 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2ncc(Cl)cc2[N+](=O)[O-])O1 ZINC001226131716 1031803636 /nfs/dbraw/zinc/80/36/36/1031803636.db2.gz PUQVZBNGKQQQMQ-MRXNPFEDSA-N 1 1 391.855 3.702 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3cc([N+](=O)[O-])c(F)cc3F)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001226181361 1031835895 /nfs/dbraw/zinc/83/58/95/1031835895.db2.gz OXGRGMIKFGHYSF-VIZZQPHQSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3cc([N+](=O)[O-])c(F)cc3F)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001226181361 1031835907 /nfs/dbraw/zinc/83/59/07/1031835907.db2.gz OXGRGMIKFGHYSF-VIZZQPHQSA-N 1 1 388.370 3.626 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001229959822 1033818757 /nfs/dbraw/zinc/81/87/57/1033818757.db2.gz GRUXQGRNIKUFLV-HOTGVXAUSA-N 1 1 399.447 3.689 20 5 GHBDMO Cc1c(Br)cnc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC001230038137 1033861222 /nfs/dbraw/zinc/86/12/22/1033861222.db2.gz PDVOIWSNOYBWKK-ITGUQSILSA-N 1 1 384.274 3.843 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230230494 1033956555 /nfs/dbraw/zinc/95/65/55/1033956555.db2.gz STHUENTYXZBYML-KRWDZBQOSA-N 1 1 381.436 3.546 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1c1ccc(Cl)cc1F ZINC001207102384 1034093922 /nfs/dbraw/zinc/09/39/22/1034093922.db2.gz OMHGJTAMWOOTGF-AWEZNQCLSA-N 1 1 398.221 3.936 20 5 GHBDMO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001230601863 1034142582 /nfs/dbraw/zinc/14/25/82/1034142582.db2.gz ROYAHNKDUWRGRX-JIPZTSHUSA-N 1 1 378.432 3.761 20 5 GHBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001230601863 1034142587 /nfs/dbraw/zinc/14/25/87/1034142587.db2.gz ROYAHNKDUWRGRX-JIPZTSHUSA-N 1 1 378.432 3.761 20 5 GHBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001230601863 1034142595 /nfs/dbraw/zinc/14/25/95/1034142595.db2.gz ROYAHNKDUWRGRX-JIPZTSHUSA-N 1 1 378.432 3.761 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c21 ZINC001231055737 1034368712 /nfs/dbraw/zinc/36/87/12/1034368712.db2.gz MTAIRSIBKATEOW-ABSDTBQOSA-N 1 1 390.443 3.827 20 5 GHBDMO C[N@@H+](CC(=O)N1CCOCC1)Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001231827756 1034932019 /nfs/dbraw/zinc/93/20/19/1034932019.db2.gz SMEVFESOHDTXKY-UHFFFAOYSA-N 1 1 382.891 3.937 20 5 GHBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)n1 ZINC001161182520 1035169275 /nfs/dbraw/zinc/16/92/75/1035169275.db2.gz HFIPMZFUXRTPIU-ZDUSSCGKSA-N 1 1 382.251 3.686 20 5 GHBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)n1 ZINC001161182520 1035169280 /nfs/dbraw/zinc/16/92/80/1035169280.db2.gz HFIPMZFUXRTPIU-ZDUSSCGKSA-N 1 1 382.251 3.686 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232225329 1035171169 /nfs/dbraw/zinc/17/11/69/1035171169.db2.gz ATZLLJCZPKWKJA-PKOBYXMFSA-N 1 1 390.487 3.834 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)nc1Cl ZINC001161885454 1035321390 /nfs/dbraw/zinc/32/13/90/1035321390.db2.gz QHNYYWZAWRFDGF-AWEZNQCLSA-N 1 1 396.825 3.947 20 5 GHBDMO Cc1nc2cc(-c3noc([C@@H]([NH3+])Cc4ccccc4[N+](=O)[O-])n3)ccc2s1 ZINC001247665850 1038303179 /nfs/dbraw/zinc/30/31/79/1038303179.db2.gz KFBPWFGPVFCEHM-ZDUSSCGKSA-N 1 1 381.417 3.805 20 5 GHBDMO COc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001462377046 1070210622 /nfs/dbraw/zinc/21/06/22/1070210622.db2.gz UFPVMPXUMLXKJL-OAHLLOKOSA-N 1 1 394.468 3.785 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001462377046 1070210633 /nfs/dbraw/zinc/21/06/33/1070210633.db2.gz UFPVMPXUMLXKJL-OAHLLOKOSA-N 1 1 394.468 3.785 20 5 GHBDMO COc1c(O)ccc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)c1[N+](=O)[O-] ZINC001462409640 1070233821 /nfs/dbraw/zinc/23/38/21/1070233821.db2.gz YFYFNMWRYZLERM-AWEZNQCLSA-N 1 1 376.384 3.840 20 5 GHBDMO O=[N+]([O-])c1cccc2c1ccnc2OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001234676164 1040207829 /nfs/dbraw/zinc/20/78/29/1040207829.db2.gz JSEGVJATZYRCMY-GOSISDBHSA-N 1 1 393.443 3.813 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC(N3CCC4(CCC[N@@H+]4CC4CC4)CC3)CC2)cc1 ZINC001254474237 1040260588 /nfs/dbraw/zinc/26/05/88/1040260588.db2.gz IHGGQHMKCOCMIR-UHFFFAOYSA-N 1 1 398.551 3.904 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC(N3CCC4(CCC[N@H+]4CC4CC4)CC3)CC2)cc1 ZINC001254474237 1040260607 /nfs/dbraw/zinc/26/06/07/1040260607.db2.gz IHGGQHMKCOCMIR-UHFFFAOYSA-N 1 1 398.551 3.904 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@@H]4C[C@H]3CN4Cc3ccccc3)CC2)cc1 ZINC001254479779 1040266414 /nfs/dbraw/zinc/26/64/14/1040266414.db2.gz LGCCWKWXQSJOFQ-GOTSBHOMSA-N 1 1 392.503 3.522 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC001254551879 1040319428 /nfs/dbraw/zinc/31/94/28/1040319428.db2.gz GXGASCSEOZUDBC-HNNXBMFYSA-N 1 1 382.489 3.958 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001254552409 1040320398 /nfs/dbraw/zinc/32/03/98/1040320398.db2.gz LIPFGXDXCXOKJT-BPQIPLTHSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001254559205 1040329859 /nfs/dbraw/zinc/32/98/59/1040329859.db2.gz JQLICKRYAXNOOH-HLLBOEOZSA-N 1 1 377.485 3.903 20 5 GHBDMO CCn1ncc2c1C[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C[C@H]2COCC1CC1 ZINC001254562156 1040333711 /nfs/dbraw/zinc/33/37/11/1040333711.db2.gz OPZUTIQZQJEQPG-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO CCn1ncc2c1C[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C[C@H]2COCC1CC1 ZINC001254562156 1040333726 /nfs/dbraw/zinc/33/37/26/1040333726.db2.gz OPZUTIQZQJEQPG-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001254563209 1040336498 /nfs/dbraw/zinc/33/64/98/1040336498.db2.gz XVIUSAFJQDQZOE-GOSISDBHSA-N 1 1 395.507 3.698 20 5 GHBDMO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563956 1040339140 /nfs/dbraw/zinc/33/91/40/1040339140.db2.gz HFHMDUMQXFKITQ-AEFFLSMTSA-N 1 1 380.485 3.596 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595127 1040367861 /nfs/dbraw/zinc/36/78/61/1040367861.db2.gz VLLXRXNSGMXCAZ-RXVVDRJESA-N 1 1 387.480 3.537 20 5 GHBDMO C[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001254607940 1040378502 /nfs/dbraw/zinc/37/85/02/1040378502.db2.gz NQYQFFGASYKWSU-LNLFQRSKSA-N 1 1 389.496 3.830 20 5 GHBDMO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254608055 1040380684 /nfs/dbraw/zinc/38/06/84/1040380684.db2.gz OTXRIXNOKRNWHX-KOUHRCEDSA-N 1 1 395.507 3.953 20 5 GHBDMO O=[N+]([O-])c1ccc(F)c(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1F ZINC001255467817 1041070366 /nfs/dbraw/zinc/07/03/66/1041070366.db2.gz BABGHKXWCGXVBK-CYBMUJFWSA-N 1 1 386.358 3.913 20 5 GHBDMO COc1cccc(C[N@@H+](C)C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC001256097091 1041524404 /nfs/dbraw/zinc/52/44/04/1041524404.db2.gz MRPDYOHWUFPEJV-UHFFFAOYSA-N 1 1 385.464 3.713 20 5 GHBDMO COc1ccccc1CC[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256099725 1041527401 /nfs/dbraw/zinc/52/74/01/1041527401.db2.gz VWZVYRDBHBOKLA-UHFFFAOYSA-N 1 1 399.491 3.755 20 5 GHBDMO CC/C(=C\c1cccc([N+](=O)[O-])c1)c1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001258104052 1044397024 /nfs/dbraw/zinc/39/70/24/1044397024.db2.gz YQFTWSFZMBQKTQ-VOSWBJTRSA-N 1 1 386.452 3.580 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001295475843 1045030967 /nfs/dbraw/zinc/03/09/67/1045030967.db2.gz XKDLCKIXBQHUSJ-MRXNPFEDSA-N 1 1 397.475 3.885 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001299788353 1046037392 /nfs/dbraw/zinc/03/73/92/1046037392.db2.gz KLQBRGWETLHJGC-FQEVSTJZSA-N 1 1 393.487 3.650 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001299788353 1046037404 /nfs/dbraw/zinc/03/74/04/1046037404.db2.gz KLQBRGWETLHJGC-FQEVSTJZSA-N 1 1 393.487 3.650 20 5 GHBDMO COc1ccc([C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC001302183608 1046860596 /nfs/dbraw/zinc/86/05/96/1046860596.db2.gz PHYVGEMSFNEWNN-IBGZPJMESA-N 1 1 397.475 3.688 20 5 GHBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001287925342 1048948352 /nfs/dbraw/zinc/94/83/52/1048948352.db2.gz DXWXITKMPOGSRM-HXUWFJFHSA-N 1 1 399.466 3.837 20 5 GHBDMO C[C@H](c1cccc(Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001306961740 1048981197 /nfs/dbraw/zinc/98/11/97/1048981197.db2.gz HHGQEEWHVXURCY-CQSZACIVSA-N 1 1 396.422 3.841 20 5 GHBDMO CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001307460072 1049296367 /nfs/dbraw/zinc/29/63/67/1049296367.db2.gz CGBASDBMIJNTOC-UHFFFAOYSA-N 1 1 384.436 3.599 20 5 GHBDMO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1Cl ZINC001307462822 1049300145 /nfs/dbraw/zinc/30/01/45/1049300145.db2.gz HWPNGKMYXIQSBW-UHFFFAOYSA-N 1 1 382.819 3.915 20 5 GHBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1Cl ZINC001307462822 1049300158 /nfs/dbraw/zinc/30/01/58/1049300158.db2.gz HWPNGKMYXIQSBW-UHFFFAOYSA-N 1 1 382.819 3.915 20 5 GHBDMO CCOc1cc(CN2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC001307466127 1049303394 /nfs/dbraw/zinc/30/33/94/1049303394.db2.gz ZVNYVNFEIVKAOZ-QGZVFWFLSA-N 1 1 399.491 3.881 20 5 GHBDMO Cc1ccc(C(C)(C)C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC001307499321 1049339033 /nfs/dbraw/zinc/33/90/33/1049339033.db2.gz XTHNZYROOKNAJB-UHFFFAOYSA-N 1 1 381.476 3.702 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001307502233 1049342889 /nfs/dbraw/zinc/34/28/89/1049342889.db2.gz UMTXCSRXWAHWFQ-QZTJIDSGSA-N 1 1 396.491 3.518 20 5 GHBDMO CCOc1ccccc1C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001307717419 1049533261 /nfs/dbraw/zinc/53/32/61/1049533261.db2.gz ZULLOXGOXIZXOI-SFHVURJKSA-N 1 1 399.491 3.579 20 5 GHBDMO CCOc1ccccc1C[N@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001307717419 1049533274 /nfs/dbraw/zinc/53/32/74/1049533274.db2.gz ZULLOXGOXIZXOI-SFHVURJKSA-N 1 1 399.491 3.579 20 5 GHBDMO CCOc1ccccc1CN1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001307717419 1049533288 /nfs/dbraw/zinc/53/32/88/1049533288.db2.gz ZULLOXGOXIZXOI-SFHVURJKSA-N 1 1 399.491 3.579 20 5 GHBDMO CCOc1ccccc1CN1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001307717419 1049533299 /nfs/dbraw/zinc/53/32/99/1049533299.db2.gz ZULLOXGOXIZXOI-SFHVURJKSA-N 1 1 399.491 3.579 20 5 GHBDMO C[C@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Br)C(=O)OC(C)(C)C ZINC001307826742 1049619698 /nfs/dbraw/zinc/61/96/98/1049619698.db2.gz DDXVJAWOIPTMFR-LLVKDONJSA-N 1 1 387.274 3.767 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br)C(=O)OC(C)(C)C ZINC001307826742 1049619702 /nfs/dbraw/zinc/61/97/02/1049619702.db2.gz DDXVJAWOIPTMFR-LLVKDONJSA-N 1 1 387.274 3.767 20 5 GHBDMO CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nc1C ZINC001308043705 1049794048 /nfs/dbraw/zinc/79/40/48/1049794048.db2.gz REWDBNOGHVWWOM-OAHLLOKOSA-N 1 1 389.477 3.834 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC001308085394 1049830835 /nfs/dbraw/zinc/83/08/35/1049830835.db2.gz ORKVRWSHNFYBCN-CABCVRRESA-N 1 1 388.493 3.641 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC001308085394 1049830857 /nfs/dbraw/zinc/83/08/57/1049830857.db2.gz ORKVRWSHNFYBCN-CABCVRRESA-N 1 1 388.493 3.641 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC001308091047 1049838211 /nfs/dbraw/zinc/83/82/11/1049838211.db2.gz WORJPLHLIHXAAE-OAHLLOKOSA-N 1 1 388.493 3.643 20 5 GHBDMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001308121384 1049864790 /nfs/dbraw/zinc/86/47/90/1049864790.db2.gz LFOMSPHJVRLXLZ-HXUWFJFHSA-N 1 1 378.469 3.808 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001308802357 1050100087 /nfs/dbraw/zinc/10/00/87/1050100087.db2.gz LNEOFPZZFOKBLI-GOEBONIOSA-N 1 1 378.469 3.793 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329853551 1050913369 /nfs/dbraw/zinc/91/33/69/1050913369.db2.gz LEIDWLXRUHTZHG-UHFFFAOYSA-N 1 1 398.488 3.691 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001310849117 1051650019 /nfs/dbraw/zinc/65/00/19/1051650019.db2.gz PEIFVYOXQADQEQ-KXBFYZLASA-N 1 1 382.464 3.942 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001317839306 1054275944 /nfs/dbraw/zinc/27/59/44/1054275944.db2.gz TWBKPEXTTDTDQP-MRXNPFEDSA-N 1 1 396.491 3.941 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001319073328 1055021872 /nfs/dbraw/zinc/02/18/72/1055021872.db2.gz VBLSMZHVJXWRIX-LPHOPBHVSA-N 1 1 382.464 3.530 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001319073328 1055021887 /nfs/dbraw/zinc/02/18/87/1055021887.db2.gz VBLSMZHVJXWRIX-LPHOPBHVSA-N 1 1 382.464 3.530 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC001320354567 1055768931 /nfs/dbraw/zinc/76/89/31/1055768931.db2.gz GAIZJYRLHXJLGM-UHFFFAOYSA-N 1 1 382.464 3.951 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)c1 ZINC001320896179 1056003869 /nfs/dbraw/zinc/00/38/69/1056003869.db2.gz OABMIEHUTMZNMK-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4[C@H]3CCC[N@@H+]4C)c([N+](=O)[O-])c2)cc1 ZINC001472867989 1056975396 /nfs/dbraw/zinc/97/53/96/1056975396.db2.gz WHCWFFOCRDWBBH-RTBURBONSA-N 1 1 394.475 3.828 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4[C@@H]3CCC[N@@H+]4C)c([N+](=O)[O-])c2)cc1 ZINC001472867987 1056975463 /nfs/dbraw/zinc/97/54/63/1056975463.db2.gz WHCWFFOCRDWBBH-OALUTQOASA-N 1 1 394.475 3.828 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)CC2 ZINC001323754425 1057008613 /nfs/dbraw/zinc/00/86/13/1057008613.db2.gz SIFYALSZVSBAAX-OAHLLOKOSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)CC2 ZINC001323754425 1057008619 /nfs/dbraw/zinc/00/86/19/1057008619.db2.gz SIFYALSZVSBAAX-OAHLLOKOSA-N 1 1 397.258 3.700 20 5 GHBDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001324538187 1057158711 /nfs/dbraw/zinc/15/87/11/1057158711.db2.gz XBVIFGASNKXUHR-CQSZACIVSA-N 1 1 389.839 3.705 20 5 GHBDMO CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001445929056 1059657764 /nfs/dbraw/zinc/65/77/64/1059657764.db2.gz NNRUFSVLBJSEGB-KRWDZBQOSA-N 1 1 387.867 3.524 20 5 GHBDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001451524376 1060787983 /nfs/dbraw/zinc/78/79/83/1060787983.db2.gz GGFMVYXTMGBVTH-ABAIWWIYSA-N 1 1 391.365 3.576 20 5 GHBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001348084033 1062911498 /nfs/dbraw/zinc/91/14/98/1062911498.db2.gz JTASTDJGBQSRFK-LSDHHAIUSA-N 1 1 388.468 3.616 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001348454499 1063087652 /nfs/dbraw/zinc/08/76/52/1063087652.db2.gz QOJMHNCSSLWHBQ-DOTOQJQBSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001348454499 1063087669 /nfs/dbraw/zinc/08/76/69/1063087669.db2.gz QOJMHNCSSLWHBQ-DOTOQJQBSA-N 1 1 377.803 3.563 20 5 GHBDMO Cn1c2ccccc2c(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c([N+](=O)[O-])c1=O ZINC001458171803 1063626848 /nfs/dbraw/zinc/62/68/48/1063626848.db2.gz ZMUXUNZGZWKDLE-KRWDZBQOSA-N 1 1 398.507 3.903 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001437907534 1063949969 /nfs/dbraw/zinc/94/99/69/1063949969.db2.gz XUQFZFCRVIKWDX-INIZCTEOSA-N 1 1 393.365 3.618 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001437907534 1063949971 /nfs/dbraw/zinc/94/99/71/1063949971.db2.gz XUQFZFCRVIKWDX-INIZCTEOSA-N 1 1 393.365 3.618 20 5 GHBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459464490 1064105309 /nfs/dbraw/zinc/10/53/09/1064105309.db2.gz DMNGTDMSINSLHZ-INIZCTEOSA-N 1 1 381.448 3.955 20 5 GHBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459464490 1064105315 /nfs/dbraw/zinc/10/53/15/1064105315.db2.gz DMNGTDMSINSLHZ-INIZCTEOSA-N 1 1 381.448 3.955 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)Cc1ccsc1 ZINC001459620430 1064146006 /nfs/dbraw/zinc/14/60/06/1064146006.db2.gz ICJIMWYIGRRNKA-CYBMUJFWSA-N 1 1 377.466 3.557 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001350749517 1064179633 /nfs/dbraw/zinc/17/96/33/1064179633.db2.gz RUELDTJGBUZCQU-UHFFFAOYSA-N 1 1 382.464 3.606 20 5 GHBDMO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001459731474 1064190214 /nfs/dbraw/zinc/19/02/14/1064190214.db2.gz ALJRUMYALSWRHD-OAQYLSRUSA-N 1 1 382.460 3.776 20 5 GHBDMO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001459731474 1064190219 /nfs/dbraw/zinc/19/02/19/1064190219.db2.gz ALJRUMYALSWRHD-OAQYLSRUSA-N 1 1 382.460 3.776 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC001463560249 1064461638 /nfs/dbraw/zinc/46/16/38/1064461638.db2.gz KIHQJTPFSBBBPI-SFHVURJKSA-N 1 1 393.846 3.739 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC[N@H+]1Cc1ccccc1 ZINC001466401441 1066133640 /nfs/dbraw/zinc/13/36/40/1066133640.db2.gz QOUXPRAXEIBNQW-SFHVURJKSA-N 1 1 396.491 3.763 20 5 GHBDMO CCOc1cc(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001466987999 1066430426 /nfs/dbraw/zinc/43/04/26/1066430426.db2.gz CGKAEGAZCXMSLZ-YJBOKZPZSA-N 1 1 398.463 3.778 20 5 GHBDMO CCC[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001357607778 1067190472 /nfs/dbraw/zinc/19/04/72/1067190472.db2.gz IIAVXXVOBAMVDZ-FQEVSTJZSA-N 1 1 381.476 3.650 20 5 GHBDMO O=C(NCC[N@@H+]1CCc2sccc2C1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467547314 1067352723 /nfs/dbraw/zinc/35/27/23/1067352723.db2.gz ATQNKZQZOXZGCG-UHFFFAOYSA-N 1 1 396.472 3.989 20 5 GHBDMO O=C(NCC[N@H+]1CCc2sccc2C1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467547314 1067352732 /nfs/dbraw/zinc/35/27/32/1067352732.db2.gz ATQNKZQZOXZGCG-UHFFFAOYSA-N 1 1 396.472 3.989 20 5 GHBDMO CCN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001358470238 1067535799 /nfs/dbraw/zinc/53/57/99/1067535799.db2.gz HLMXGZIQDDCYNR-SFHVURJKSA-N 1 1 399.516 3.810 20 5 GHBDMO CC[C@@H](NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001469429239 1068159395 /nfs/dbraw/zinc/15/93/95/1068159395.db2.gz POOUHZLQRVZQRI-OAQYLSRUSA-N 1 1 396.491 3.882 20 5 GHBDMO CC[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC[N@H+]1Cc1ccccc1 ZINC001469776769 1068380782 /nfs/dbraw/zinc/38/07/82/1068380782.db2.gz JVLANZVIAZGLNK-FQEVSTJZSA-N 1 1 396.491 3.709 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001360908267 1068686669 /nfs/dbraw/zinc/68/66/69/1068686669.db2.gz BQZIIVBNSJSGRU-KRWDZBQOSA-N 1 1 385.439 3.636 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001361047566 1068751132 /nfs/dbraw/zinc/75/11/32/1068751132.db2.gz FQKZJTGJHMDRQN-HNAYVOBHSA-N 1 1 399.516 3.957 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001460095235 1068779933 /nfs/dbraw/zinc/77/99/33/1068779933.db2.gz BSEQJYDNTITWJL-SIKLNZKXSA-N 1 1 384.476 3.778 20 5 GHBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1c1ccccc1 ZINC001460126660 1068796227 /nfs/dbraw/zinc/79/62/27/1068796227.db2.gz DZIDJOXQYKQTDG-NQIIRXRSSA-N 1 1 379.460 3.970 20 5 GHBDMO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@H+]1Cc1ccccc1 ZINC001472716043 1073632639 /nfs/dbraw/zinc/63/26/39/1073632639.db2.gz DNEYBCLLHAFYGV-GXTWGEPZSA-N 1 1 397.401 3.812 20 5 GHBDMO CCOc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)ccc1[N+](=O)[O-] ZINC001472808086 1073674890 /nfs/dbraw/zinc/67/48/90/1073674890.db2.gz GZSBTBIYZKKIOQ-XMSQKQJNSA-N 1 1 399.491 3.943 20 5 GHBDMO Cc1ccc([C@H](CC(F)(F)F)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC001473354001 1073933154 /nfs/dbraw/zinc/93/31/54/1073933154.db2.gz KRJJDKLDPJBPAW-HNNXBMFYSA-N 1 1 381.354 3.785 20 5 GHBDMO CCOc1cc(N2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)ccc1[N+](=O)[O-] ZINC001473437396 1073961978 /nfs/dbraw/zinc/96/19/78/1073961978.db2.gz GHHALMAZBWMBFR-ZDUSSCGKSA-N 1 1 388.295 3.699 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H]3CN(c4ccccc4)CCO3)C2)cc1 ZINC001473486954 1073985453 /nfs/dbraw/zinc/98/54/53/1073985453.db2.gz VRVDDIKFHYSOMB-SIKLNZKXSA-N 1 1 381.476 3.680 20 5 GHBDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001473560677 1074016396 /nfs/dbraw/zinc/01/63/96/1074016396.db2.gz AIVHJSQKJZQIOR-HOTGVXAUSA-N 1 1 378.469 3.663 20 5 GHBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)NC(=O)OC(C)(C)C ZINC001473639244 1074061545 /nfs/dbraw/zinc/06/15/45/1074061545.db2.gz AKHDSFOHCGQQQF-UHFFFAOYSA-N 1 1 381.473 3.599 20 5 GHBDMO COc1cc2c(cc1OC)C(C)(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC001473758466 1074126685 /nfs/dbraw/zinc/12/66/85/1074126685.db2.gz MLJXKHDZIDLMHW-UHFFFAOYSA-N 1 1 386.448 3.784 20 5 GHBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001473836539 1074166485 /nfs/dbraw/zinc/16/64/85/1074166485.db2.gz FDERMQNLPCHVSC-UHFFFAOYSA-N 1 1 381.476 3.888 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]Cc1ccccc1-n1ccnc1 ZINC001473958791 1074218833 /nfs/dbraw/zinc/21/88/33/1074218833.db2.gz MOPMDITZIBDWAY-UHFFFAOYSA-N 1 1 387.237 3.833 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)C1 ZINC001474318052 1074340740 /nfs/dbraw/zinc/34/07/40/1074340740.db2.gz ONLMQWIBICJARB-ZWNOBZJWSA-N 1 1 376.320 3.581 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1sc(N2CCCC2)nc1Cl ZINC001474469836 1074420673 /nfs/dbraw/zinc/42/06/73/1074420673.db2.gz RABVIOYNMJTYAN-UHFFFAOYSA-N 1 1 380.901 3.979 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1sc(N2CCCC2)nc1Cl ZINC001474469836 1074420676 /nfs/dbraw/zinc/42/06/76/1074420676.db2.gz RABVIOYNMJTYAN-UHFFFAOYSA-N 1 1 380.901 3.979 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC001474586683 1074472152 /nfs/dbraw/zinc/47/21/52/1074472152.db2.gz SPPUJNGBCGVZIQ-OAHLLOKOSA-N 1 1 378.375 3.794 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CC[N@@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)s1 ZINC001474730756 1074536778 /nfs/dbraw/zinc/53/67/78/1074536778.db2.gz AQVIWWVPUTVFRP-XETPBLJFSA-N 1 1 387.461 3.731 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC001475921010 1075049902 /nfs/dbraw/zinc/04/99/02/1075049902.db2.gz JJUUVKYWIZULNY-UHFFFAOYSA-N 1 1 382.464 3.815 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825976275 608524145 /nfs/dbraw/zinc/52/41/45/608524145.db2.gz IJVTXHQBXJYOAF-UHFFFAOYSA-N 1 1 390.403 3.667 20 5 GHBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164648260 719309999 /nfs/dbraw/zinc/30/99/99/719309999.db2.gz HKASYRIZMDVFTE-UHFFFAOYSA-N 1 1 394.479 3.545 20 5 GHBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164862362 720948544 /nfs/dbraw/zinc/94/85/44/720948544.db2.gz VEQIOSITMHDRSM-CYBMUJFWSA-N 1 1 392.891 3.570 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019864 721814791 /nfs/dbraw/zinc/81/47/91/721814791.db2.gz CANGCYWCSVZWAG-DFQSSKMNSA-N 1 1 395.507 3.739 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000176578926 837683066 /nfs/dbraw/zinc/68/30/66/837683066.db2.gz BPORYZMDEWONKN-FUHWJXTLSA-N 1 1 399.516 3.856 20 5 GHBDMO Cc1ccc(CN(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C2CC2)o1 ZINC000140816953 834758569 /nfs/dbraw/zinc/75/85/69/834758569.db2.gz ORKSITQERHIHRI-UHFFFAOYSA-N 1 1 385.464 3.898 20 5 GHBDMO Cc1ccc(CN(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C2CC2)o1 ZINC000140816953 834758578 /nfs/dbraw/zinc/75/85/78/834758578.db2.gz ORKSITQERHIHRI-UHFFFAOYSA-N 1 1 385.464 3.898 20 5 GHBDMO Cc1c(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000480475216 834857511 /nfs/dbraw/zinc/85/75/11/834857511.db2.gz MVGZISSVRLCDTJ-UHFFFAOYSA-N 1 1 382.508 3.723 20 5 GHBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000177174472 837817416 /nfs/dbraw/zinc/81/74/16/837817416.db2.gz ICHKVPRISXPCLO-KRWDZBQOSA-N 1 1 380.448 3.690 20 5 GHBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000610200144 835022407 /nfs/dbraw/zinc/02/24/07/835022407.db2.gz USKIIMJAAWBYOC-MRXNPFEDSA-N 1 1 399.495 3.546 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000471149981 835065904 /nfs/dbraw/zinc/06/59/04/835065904.db2.gz YWBUYWZDEJKUTE-LJQANCHMSA-N 1 1 397.475 3.634 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000430206914 835099691 /nfs/dbraw/zinc/09/96/91/835099691.db2.gz PGUUXHSRHPIPNE-QGZVFWFLSA-N 1 1 388.468 3.562 20 5 GHBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179000155 835233604 /nfs/dbraw/zinc/23/36/04/835233604.db2.gz AAAONVYOXIXASW-DYVFJYSZSA-N 1 1 385.489 3.898 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000157620358 835277774 /nfs/dbraw/zinc/27/77/74/835277774.db2.gz GUTWFVAAXRBKSQ-OAHLLOKOSA-N 1 1 399.495 3.588 20 5 GHBDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000157620358 835277780 /nfs/dbraw/zinc/27/77/80/835277780.db2.gz GUTWFVAAXRBKSQ-OAHLLOKOSA-N 1 1 399.495 3.588 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000157620358 835277791 /nfs/dbraw/zinc/27/77/91/835277791.db2.gz GUTWFVAAXRBKSQ-OAHLLOKOSA-N 1 1 399.495 3.588 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000612101667 835478060 /nfs/dbraw/zinc/47/80/60/835478060.db2.gz CUIYYIZDUCTUJC-MAUKXSAKSA-N 1 1 397.431 3.703 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000612101667 835478064 /nfs/dbraw/zinc/47/80/64/835478064.db2.gz CUIYYIZDUCTUJC-MAUKXSAKSA-N 1 1 397.431 3.703 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000547703117 835491001 /nfs/dbraw/zinc/49/10/01/835491001.db2.gz MMQXGLHWWNUBTC-ZDUSSCGKSA-N 1 1 399.441 3.564 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000612131836 835580506 /nfs/dbraw/zinc/58/05/06/835580506.db2.gz FMRCWEBARIVXMV-HMXCVIKNSA-N 1 1 379.460 3.625 20 5 GHBDMO Cc1c(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000612132639 835587461 /nfs/dbraw/zinc/58/74/61/835587461.db2.gz ZUCHINSKMGFFJT-HLAWJBBLSA-N 1 1 393.487 3.934 20 5 GHBDMO Cc1c(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cccc1[N+](=O)[O-] ZINC000612132638 835587976 /nfs/dbraw/zinc/58/79/76/835587976.db2.gz ZUCHINSKMGFFJT-CEWLAPEOSA-N 1 1 393.487 3.934 20 5 GHBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000179410856 835682486 /nfs/dbraw/zinc/68/24/86/835682486.db2.gz PRIOECHQSJGIGK-UHFFFAOYSA-N 1 1 377.828 3.608 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052829914 835688194 /nfs/dbraw/zinc/68/81/94/835688194.db2.gz GQCPRAVCTMUCLZ-GFCCVEGCSA-N 1 1 392.818 3.633 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052829914 835688196 /nfs/dbraw/zinc/68/81/96/835688196.db2.gz GQCPRAVCTMUCLZ-GFCCVEGCSA-N 1 1 392.818 3.633 20 5 GHBDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000176816072 835845780 /nfs/dbraw/zinc/84/57/80/835845780.db2.gz HVKLDSLGMOPBNA-AEFFLSMTSA-N 1 1 396.491 3.611 20 5 GHBDMO CCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000179639477 835917762 /nfs/dbraw/zinc/91/77/62/835917762.db2.gz VGMFGSFQGQAIFB-INIZCTEOSA-N 1 1 394.518 3.722 20 5 GHBDMO CCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000179639477 835917765 /nfs/dbraw/zinc/91/77/65/835917765.db2.gz VGMFGSFQGQAIFB-INIZCTEOSA-N 1 1 394.518 3.722 20 5 GHBDMO O=C(CC[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411155004 836070688 /nfs/dbraw/zinc/07/06/88/836070688.db2.gz MFEJOBKGPUTBIP-KRWDZBQOSA-N 1 1 389.477 3.666 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000411186663 836082525 /nfs/dbraw/zinc/08/25/25/836082525.db2.gz QVYZPCQRBOHWJG-GFCCVEGCSA-N 1 1 393.390 3.903 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000411186663 836082531 /nfs/dbraw/zinc/08/25/31/836082531.db2.gz QVYZPCQRBOHWJG-GFCCVEGCSA-N 1 1 393.390 3.903 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(Br)c1OC ZINC000187205939 836189266 /nfs/dbraw/zinc/18/92/66/836189266.db2.gz XYPLOPUKXORDID-UHFFFAOYSA-N 1 1 381.226 3.664 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000411563143 836226461 /nfs/dbraw/zinc/22/64/61/836226461.db2.gz BHDPUSORQLVRFA-AWEZNQCLSA-N 1 1 391.493 3.947 20 5 GHBDMO C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000612485981 836298465 /nfs/dbraw/zinc/29/84/65/836298465.db2.gz OMZOHGAITDMFJO-IAGOWNOFSA-N 1 1 399.466 3.960 20 5 GHBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCC(=O)Nc3ccccc3[N+](=O)[O-])nc2c1 ZINC000411733803 836304502 /nfs/dbraw/zinc/30/45/02/836304502.db2.gz RSZMSAWUZJWAJF-IBGZPJMESA-N 1 1 393.447 3.945 20 5 GHBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCC(=O)Nc3ccccc3[N+](=O)[O-])nc2c1 ZINC000411733803 836304514 /nfs/dbraw/zinc/30/45/14/836304514.db2.gz RSZMSAWUZJWAJF-IBGZPJMESA-N 1 1 393.447 3.945 20 5 GHBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000411733803 836304521 /nfs/dbraw/zinc/30/45/21/836304521.db2.gz RSZMSAWUZJWAJF-IBGZPJMESA-N 1 1 393.447 3.945 20 5 GHBDMO Cc1ccc2nc([C@@H]3CCC[N@H+]3CCC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000411733803 836304529 /nfs/dbraw/zinc/30/45/29/836304529.db2.gz RSZMSAWUZJWAJF-IBGZPJMESA-N 1 1 393.447 3.945 20 5 GHBDMO CCOc1cc(N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)ccc1[N+](=O)[O-] ZINC000471251853 836365643 /nfs/dbraw/zinc/36/56/43/836365643.db2.gz TUSYOAKLCNBYOZ-UHFFFAOYSA-N 1 1 385.464 3.714 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000471272232 836699223 /nfs/dbraw/zinc/69/92/23/836699223.db2.gz INFRWTPBVSLBCN-MRXNPFEDSA-N 1 1 379.416 3.593 20 5 GHBDMO COc1cc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000610258275 836727105 /nfs/dbraw/zinc/72/71/05/836727105.db2.gz YQAZZUHTIFXEQN-UHFFFAOYSA-N 1 1 395.381 3.944 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000472487799 837120119 /nfs/dbraw/zinc/12/01/19/837120119.db2.gz VYILRZJHWUASBQ-LFUKPOHLSA-N 1 1 381.476 3.790 20 5 GHBDMO Cc1c(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000066676429 837202017 /nfs/dbraw/zinc/20/20/17/837202017.db2.gz YPLVNPUQXUBRKA-UHFFFAOYSA-N 1 1 381.476 3.887 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177492221 837964104 /nfs/dbraw/zinc/96/41/04/837964104.db2.gz APDWKCHALADFGL-HNNXBMFYSA-N 1 1 375.469 3.593 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000535675010 844296438 /nfs/dbraw/zinc/29/64/38/844296438.db2.gz ITTXRFTWBPTADW-AWEZNQCLSA-N 1 1 398.488 3.780 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000610296425 838198662 /nfs/dbraw/zinc/19/86/62/838198662.db2.gz CMDFSOQSSLKGHN-GOSISDBHSA-N 1 1 387.867 3.524 20 5 GHBDMO Cc1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cs1 ZINC000189653010 838344233 /nfs/dbraw/zinc/34/42/33/838344233.db2.gz PTFUXYSXLFMRJI-MRXNPFEDSA-N 1 1 378.429 3.665 20 5 GHBDMO Cc1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cs1 ZINC000189653010 838344240 /nfs/dbraw/zinc/34/42/40/838344240.db2.gz PTFUXYSXLFMRJI-MRXNPFEDSA-N 1 1 378.429 3.665 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000122775638 838346866 /nfs/dbraw/zinc/34/68/66/838346866.db2.gz XHFQFIQSKDUFRE-INIZCTEOSA-N 1 1 398.463 3.732 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103231895 838369530 /nfs/dbraw/zinc/36/95/30/838369530.db2.gz WWAUCRCADIUHMS-GOSISDBHSA-N 1 1 382.464 3.589 20 5 GHBDMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103479944 838424545 /nfs/dbraw/zinc/42/45/45/838424545.db2.gz AVDAVLWDYRLVFO-UHFFFAOYSA-N 1 1 375.375 3.724 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000120559800 844329647 /nfs/dbraw/zinc/32/96/47/844329647.db2.gz ONBXTOISSJCTPA-LLVKDONJSA-N 1 1 379.363 3.561 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1C ZINC000548038401 838653039 /nfs/dbraw/zinc/65/30/39/838653039.db2.gz BRUUQMFKPLNGER-NVXWUHKLSA-N 1 1 377.488 3.626 20 5 GHBDMO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[N@@H+](C)C1CC1 ZINC000275760753 838757190 /nfs/dbraw/zinc/75/71/90/838757190.db2.gz FOELSZCEYSPAEJ-LLVKDONJSA-N 1 1 385.414 3.584 20 5 GHBDMO COc1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414858104 838898326 /nfs/dbraw/zinc/89/83/26/838898326.db2.gz QUBRFRSSCZBSGM-VQIMIIECSA-N 1 1 399.491 3.660 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001167367479 839047877 /nfs/dbraw/zinc/04/78/77/839047877.db2.gz KKDBONGNOKOYML-UNMCSNQZSA-N 1 1 379.460 3.754 20 5 GHBDMO C[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610400892 839064398 /nfs/dbraw/zinc/06/43/98/839064398.db2.gz ORRKZOYUQUCLRW-OXJNMPFZSA-N 1 1 382.464 3.572 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000255301765 839171878 /nfs/dbraw/zinc/17/18/78/839171878.db2.gz UNMPEEGGKXXTDD-KKMIYCERSA-N 1 1 381.480 3.806 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[N@H+]1C ZINC000275822230 839244550 /nfs/dbraw/zinc/24/45/50/839244550.db2.gz SJSOTFFGIRRAES-SWLSCSKDSA-N 1 1 399.441 3.927 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)n2)cc1 ZINC000378511246 839257375 /nfs/dbraw/zinc/25/73/75/839257375.db2.gz JNPGCFNAFCUEKK-APWZRJJASA-N 1 1 380.404 3.512 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)n2)cc1 ZINC000052490350 844422631 /nfs/dbraw/zinc/42/26/31/844422631.db2.gz SYFCEUPWXSTBOR-HXUWFJFHSA-N 1 1 394.431 3.590 20 5 GHBDMO C[C@@]1(C[NH3+])CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000261696575 839580190 /nfs/dbraw/zinc/58/01/90/839580190.db2.gz HUWNFQSAYOPURR-KRWDZBQOSA-N 1 1 394.269 3.788 20 5 GHBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000542139895 839684927 /nfs/dbraw/zinc/68/49/27/839684927.db2.gz GBYYFIOTRVZROG-DENIHFKCSA-N 1 1 379.460 3.513 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1)C1CC1 ZINC000537129843 839761256 /nfs/dbraw/zinc/76/12/56/839761256.db2.gz LUJTVWJNEOCVMV-UHFFFAOYSA-N 1 1 378.432 3.965 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160566721 839894239 /nfs/dbraw/zinc/89/42/39/839894239.db2.gz IDTTYZHVVVJKJL-JWTNVVGKSA-N 1 1 375.469 3.957 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000601225154 839919026 /nfs/dbraw/zinc/91/90/26/839919026.db2.gz DCDMXVLVOIDSRE-SJCJKPOMSA-N 1 1 377.441 3.608 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000537485068 839997448 /nfs/dbraw/zinc/99/74/48/839997448.db2.gz YTVQEKMHNFZANT-CQSZACIVSA-N 1 1 377.510 3.701 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)c2c(c1)COCO2 ZINC000134314168 840202125 /nfs/dbraw/zinc/20/21/25/840202125.db2.gz AQBMRBXYMAVQJE-UHFFFAOYSA-N 1 1 398.459 3.769 20 5 GHBDMO C[N@H+](CCOc1ccccc1Cl)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015103442 840224848 /nfs/dbraw/zinc/22/48/48/840224848.db2.gz NTPHNKMZQBJAGU-UHFFFAOYSA-N 1 1 378.812 3.626 20 5 GHBDMO C[N@@H+](CCOc1ccccc1Cl)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015103442 840224862 /nfs/dbraw/zinc/22/48/62/840224862.db2.gz NTPHNKMZQBJAGU-UHFFFAOYSA-N 1 1 378.812 3.626 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000432020257 840548886 /nfs/dbraw/zinc/54/88/86/840548886.db2.gz RGTZLGQHUMYQSC-OXJNMPFZSA-N 1 1 392.402 3.840 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000432020257 840548896 /nfs/dbraw/zinc/54/88/96/840548896.db2.gz RGTZLGQHUMYQSC-OXJNMPFZSA-N 1 1 392.402 3.840 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181671632 840897527 /nfs/dbraw/zinc/89/75/27/840897527.db2.gz WIZJZZGBHNGGSA-GDBMZVCRSA-N 1 1 386.496 3.552 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001266688809 840941874 /nfs/dbraw/zinc/94/18/74/840941874.db2.gz WITVRBZMYVWUHB-MJGOQNOKSA-N 1 1 381.476 3.852 20 5 GHBDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000106877725 841128326 /nfs/dbraw/zinc/12/83/26/841128326.db2.gz ODQQKTRGWPQTIY-CYBMUJFWSA-N 1 1 376.482 3.998 20 5 GHBDMO C[C@H](CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000561344390 841271346 /nfs/dbraw/zinc/27/13/46/841271346.db2.gz PWGRSTJGQQPVNJ-GOSISDBHSA-N 1 1 398.507 3.689 20 5 GHBDMO O=[N+]([O-])c1c(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc2ncccc21 ZINC000302066625 861195297 /nfs/dbraw/zinc/19/52/97/861195297.db2.gz WIEWBHTWFAZUJT-GOSISDBHSA-N 1 1 392.459 3.712 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000500123830 841479013 /nfs/dbraw/zinc/47/90/13/841479013.db2.gz MKDQSEAXDUXWAW-MRXNPFEDSA-N 1 1 398.463 3.663 20 5 GHBDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500119634 841482876 /nfs/dbraw/zinc/48/28/76/841482876.db2.gz VSEOADCLHVRIJH-GFCCVEGCSA-N 1 1 375.375 3.821 20 5 GHBDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500119634 841482882 /nfs/dbraw/zinc/48/28/82/841482882.db2.gz VSEOADCLHVRIJH-GFCCVEGCSA-N 1 1 375.375 3.821 20 5 GHBDMO COC(=O)c1cnc(C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000600189676 861216171 /nfs/dbraw/zinc/21/61/71/861216171.db2.gz MASCFCCEPKQWIU-GQCTYLIASA-N 1 1 387.461 3.731 20 5 GHBDMO CCc1nn(C)c(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000302172233 861228998 /nfs/dbraw/zinc/22/89/98/861228998.db2.gz QCNAENJNIDYWIC-ZHALLVOQSA-N 1 1 383.496 3.603 20 5 GHBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000054011145 842096563 /nfs/dbraw/zinc/09/65/63/842096563.db2.gz REDOYGXRIYQAMD-UHFFFAOYSA-N 1 1 394.431 3.981 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1[N+](=O)[O-] ZINC000600206244 861276554 /nfs/dbraw/zinc/27/65/54/861276554.db2.gz CZKOBSSIRWVMJK-FSQFJQELSA-N 1 1 399.516 3.848 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1[N+](=O)[O-] ZINC000600206244 861276570 /nfs/dbraw/zinc/27/65/70/861276570.db2.gz CZKOBSSIRWVMJK-FSQFJQELSA-N 1 1 399.516 3.848 20 5 GHBDMO C[C@@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000302505522 861292681 /nfs/dbraw/zinc/29/26/81/861292681.db2.gz QFNULJUHOUDGEE-SNVBAGLBSA-N 1 1 395.809 3.548 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000147062146 842313397 /nfs/dbraw/zinc/31/33/97/842313397.db2.gz QWLAFSCMIYLWIJ-MRXNPFEDSA-N 1 1 397.475 3.765 20 5 GHBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899600 861342823 /nfs/dbraw/zinc/34/28/23/861342823.db2.gz BYDLUZXSWHKQON-INIZCTEOSA-N 1 1 381.436 3.637 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](Cc4cnn(C)c4)C3)o2)c([N+](=O)[O-])c1 ZINC000093870285 842814098 /nfs/dbraw/zinc/81/40/98/842814098.db2.gz FBYAJSAZPFCZTH-OAHLLOKOSA-N 1 1 396.447 3.662 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2c1 ZINC000302784969 861362792 /nfs/dbraw/zinc/36/27/92/861362792.db2.gz MGBWRZUVQPCIFV-FQEVSTJZSA-N 1 1 392.459 3.846 20 5 GHBDMO CC(=O)c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000302780521 861361283 /nfs/dbraw/zinc/36/12/83/861361283.db2.gz IOOWNLICFJXSJH-IBGZPJMESA-N 1 1 383.448 3.500 20 5 GHBDMO COc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510640500 843100295 /nfs/dbraw/zinc/10/02/95/843100295.db2.gz JXCBSJWJSKKQNU-PMACEKPBSA-N 1 1 398.459 3.936 20 5 GHBDMO COc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510640500 843100299 /nfs/dbraw/zinc/10/02/99/843100299.db2.gz JXCBSJWJSKKQNU-PMACEKPBSA-N 1 1 398.459 3.936 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430881197 843124182 /nfs/dbraw/zinc/12/41/82/843124182.db2.gz ZBKRAWCXUOJIOH-XEYRCQSKSA-N 1 1 379.460 3.983 20 5 GHBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(C)c([N+](=O)[O-])cc1Br ZINC000302840128 861383275 /nfs/dbraw/zinc/38/32/75/861383275.db2.gz ZZWSQVOAZOAYQM-ZDUSSCGKSA-N 1 1 379.258 3.840 20 5 GHBDMO CC1CCC(OC2CC[NH+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)CC1 ZINC000731026221 861414694 /nfs/dbraw/zinc/41/46/94/861414694.db2.gz CNKBKMKDJPJVAK-UHFFFAOYSA-N 1 1 399.495 3.871 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000610661434 843430819 /nfs/dbraw/zinc/43/08/19/843430819.db2.gz JJKGSVLTLACYPI-GOSISDBHSA-N 1 1 382.464 3.950 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000510834235 843592612 /nfs/dbraw/zinc/59/26/12/843592612.db2.gz QDULFUURJGEBLL-HXUWFJFHSA-N 1 1 396.491 3.695 20 5 GHBDMO CC[NH+](CC)Cc1cccc(CN[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000056184759 861448158 /nfs/dbraw/zinc/44/81/58/861448158.db2.gz AFXZNEZQJGIIDE-KRWDZBQOSA-N 1 1 398.507 3.862 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000603965749 861460562 /nfs/dbraw/zinc/46/05/62/861460562.db2.gz JAZFXXNTDNMWHV-CQSZACIVSA-N 1 1 397.431 3.950 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000008092485 863066526 /nfs/dbraw/zinc/06/65/26/863066526.db2.gz ZUCMHUDJBYCHIH-UHFFFAOYSA-N 1 1 381.354 3.993 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000729047793 844699288 /nfs/dbraw/zinc/69/92/88/844699288.db2.gz XJYSISOQQMWTHK-DLBZAZTESA-N 1 1 376.501 3.635 20 5 GHBDMO COc1cc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000065208706 844934013 /nfs/dbraw/zinc/93/40/13/844934013.db2.gz NSFGEOVHVZIPDD-UHFFFAOYSA-N 1 1 382.363 3.716 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000599681763 861522148 /nfs/dbraw/zinc/52/21/48/861522148.db2.gz ZYBCHLFFDHBFBU-UKRRQHHQSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000599681763 861522161 /nfs/dbraw/zinc/52/21/61/861522161.db2.gz ZYBCHLFFDHBFBU-UKRRQHHQSA-N 1 1 387.411 3.559 20 5 GHBDMO CO[C@@H](C)C[N@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000513227725 845093526 /nfs/dbraw/zinc/09/35/26/845093526.db2.gz FLUNHBDIYDECAG-SCLBCKFNSA-N 1 1 391.855 3.895 20 5 GHBDMO CO[C@@H](C)C[N@@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000513227725 845093533 /nfs/dbraw/zinc/09/35/33/845093533.db2.gz FLUNHBDIYDECAG-SCLBCKFNSA-N 1 1 391.855 3.895 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001128534798 861563213 /nfs/dbraw/zinc/56/32/13/861563213.db2.gz BUBQJKRANKYJBA-IBGZPJMESA-N 1 1 393.487 3.655 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000513522001 845574169 /nfs/dbraw/zinc/57/41/69/845574169.db2.gz VRNKJHGPATUMDR-OAQYLSRUSA-N 1 1 398.438 3.864 20 5 GHBDMO C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182901887 845604756 /nfs/dbraw/zinc/60/47/56/845604756.db2.gz VERXLLIFNCEULL-IAGOWNOFSA-N 1 1 388.512 3.556 20 5 GHBDMO CC(C)(C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429873781 845614974 /nfs/dbraw/zinc/61/49/74/845614974.db2.gz ZSRQPOAJQZYGSI-GOSISDBHSA-N 1 1 385.464 3.809 20 5 GHBDMO CCOc1cc(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001167517004 846019979 /nfs/dbraw/zinc/01/99/79/846019979.db2.gz MNDDLYAONOUALI-MRXNPFEDSA-N 1 1 393.484 3.825 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001167517004 846019988 /nfs/dbraw/zinc/01/99/88/846019988.db2.gz MNDDLYAONOUALI-MRXNPFEDSA-N 1 1 393.484 3.825 20 5 GHBDMO C[C@H](NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511067969 846252517 /nfs/dbraw/zinc/25/25/17/846252517.db2.gz XSRTUBKLJUHMKG-AWEZNQCLSA-N 1 1 375.856 3.600 20 5 GHBDMO C[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511067969 846252524 /nfs/dbraw/zinc/25/25/24/846252524.db2.gz XSRTUBKLJUHMKG-AWEZNQCLSA-N 1 1 375.856 3.600 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000421479845 846263969 /nfs/dbraw/zinc/26/39/69/846263969.db2.gz GSPGCAXBGDBDEI-MJGOQNOKSA-N 1 1 381.476 3.995 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000421490452 846282657 /nfs/dbraw/zinc/28/26/57/846282657.db2.gz YMIXATPNFTYUFS-PXNSSMCTSA-N 1 1 381.476 3.852 20 5 GHBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000502828581 846523186 /nfs/dbraw/zinc/52/31/86/846523186.db2.gz LVPGHZVRALCNET-UHFFFAOYSA-N 1 1 386.433 3.542 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2[C@H](c3ccccc3)COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000501074625 846616402 /nfs/dbraw/zinc/61/64/02/846616402.db2.gz CRHVWQRHUFWJEL-YWZLYKJASA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2[C@H](c3ccccc3)COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000501074625 846616405 /nfs/dbraw/zinc/61/64/05/846616405.db2.gz CRHVWQRHUFWJEL-YWZLYKJASA-N 1 1 383.448 3.694 20 5 GHBDMO COc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000478288121 847044818 /nfs/dbraw/zinc/04/48/18/847044818.db2.gz HIBBRTLPPBYMMP-QGZVFWFLSA-N 1 1 391.855 3.598 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050034669 847344633 /nfs/dbraw/zinc/34/46/33/847344633.db2.gz PQXZSJVMASGNJM-OAHLLOKOSA-N 1 1 388.493 3.998 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303673515 861834075 /nfs/dbraw/zinc/83/40/75/861834075.db2.gz XKMUWUHECGQOTD-SQNIBIBYSA-N 1 1 388.512 3.508 20 5 GHBDMO COc1cccc(CC2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000612122950 848479762 /nfs/dbraw/zinc/47/97/62/848479762.db2.gz ATEXTBREEVHLMH-UHFFFAOYSA-N 1 1 397.475 3.805 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612131466 848494643 /nfs/dbraw/zinc/49/46/43/848494643.db2.gz BZYITHRKUQTSPO-BAGYTPMASA-N 1 1 393.487 3.554 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000612132457 848495558 /nfs/dbraw/zinc/49/55/58/848495558.db2.gz SVEZIFOQZSOXAJ-YSIASYRMSA-N 1 1 379.460 3.625 20 5 GHBDMO Cc1c(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cccc1[N+](=O)[O-] ZINC000612132640 848496426 /nfs/dbraw/zinc/49/64/26/848496426.db2.gz ZUCHINSKMGFFJT-HMXCVIKNSA-N 1 1 393.487 3.934 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000612181355 848510700 /nfs/dbraw/zinc/51/07/00/848510700.db2.gz CRRRNAOWWDPUBR-CVEARBPZSA-N 1 1 388.773 3.872 20 5 GHBDMO COC(=O)/C=C\c1ccc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000732048992 862059375 /nfs/dbraw/zinc/05/93/75/862059375.db2.gz GFHMUAWUGOTSOV-UILAEWCASA-N 1 1 383.448 3.713 20 5 GHBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000514577078 850016929 /nfs/dbraw/zinc/01/69/29/850016929.db2.gz AITNCUMWCHSDCH-FQEVSTJZSA-N 1 1 381.476 3.798 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000518765664 850061980 /nfs/dbraw/zinc/06/19/80/850061980.db2.gz VNDVULVMSIUGIQ-QGZVFWFLSA-N 1 1 391.418 3.950 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000518765664 850061990 /nfs/dbraw/zinc/06/19/90/850061990.db2.gz VNDVULVMSIUGIQ-QGZVFWFLSA-N 1 1 391.418 3.950 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481720089 862097066 /nfs/dbraw/zinc/09/70/66/862097066.db2.gz SJOHSLVITPEWKB-JOCHJYFZSA-N 1 1 395.459 3.753 20 5 GHBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000518786859 850123791 /nfs/dbraw/zinc/12/37/91/850123791.db2.gz DDTQEWRXNSCCSH-UHFFFAOYSA-N 1 1 393.418 3.845 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000555878567 862104138 /nfs/dbraw/zinc/10/41/38/862104138.db2.gz LCAUDNAKHNLINA-CQSZACIVSA-N 1 1 377.404 3.890 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000555878567 862104145 /nfs/dbraw/zinc/10/41/45/862104145.db2.gz LCAUDNAKHNLINA-CQSZACIVSA-N 1 1 377.404 3.890 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@]4(C3)OCc3ccccc34)n2)cc1 ZINC000481712507 862112864 /nfs/dbraw/zinc/11/28/64/862112864.db2.gz APEIJLZXEGANKN-OAQYLSRUSA-N 1 1 392.415 3.666 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@]4(C3)OCc3ccccc34)n2)cc1 ZINC000481712507 862112872 /nfs/dbraw/zinc/11/28/72/862112872.db2.gz APEIJLZXEGANKN-OAQYLSRUSA-N 1 1 392.415 3.666 20 5 GHBDMO CC(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000504868455 850380264 /nfs/dbraw/zinc/38/02/64/850380264.db2.gz FVVJVMAILWTQPN-HXUWFJFHSA-N 1 1 382.464 3.799 20 5 GHBDMO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCc2ccccc2C1 ZINC000519072866 850588782 /nfs/dbraw/zinc/58/87/82/850588782.db2.gz OLWFLMHQSVBRQJ-AWEZNQCLSA-N 1 1 379.416 3.518 20 5 GHBDMO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@H+]1CCc2ccccc2C1 ZINC000519072866 850588783 /nfs/dbraw/zinc/58/87/83/850588783.db2.gz OLWFLMHQSVBRQJ-AWEZNQCLSA-N 1 1 379.416 3.518 20 5 GHBDMO Cc1cccc([C@H]2CC[N@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C2)c1 ZINC000784027143 850694600 /nfs/dbraw/zinc/69/46/00/850694600.db2.gz UPBNLGPEGVNTRB-SFHVURJKSA-N 1 1 380.448 3.592 20 5 GHBDMO Cc1cccc([C@H]2CC[N@@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C2)c1 ZINC000784027143 850694605 /nfs/dbraw/zinc/69/46/05/850694605.db2.gz UPBNLGPEGVNTRB-SFHVURJKSA-N 1 1 380.448 3.592 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C(C)C ZINC000604413057 862187760 /nfs/dbraw/zinc/18/77/60/862187760.db2.gz VRACTWIQKCIHMS-UHFFFAOYSA-N 1 1 375.400 3.592 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000604413057 862187767 /nfs/dbraw/zinc/18/77/67/862187767.db2.gz VRACTWIQKCIHMS-UHFFFAOYSA-N 1 1 375.400 3.592 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000513991696 851090160 /nfs/dbraw/zinc/09/01/60/851090160.db2.gz JLFODXGZHUIBNL-UHFFFAOYSA-N 1 1 382.464 3.802 20 5 GHBDMO C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@H+]1CCCC[C@H]1C ZINC000436095233 851213482 /nfs/dbraw/zinc/21/34/82/851213482.db2.gz AMKQLJWQPUWHJM-HUUCEWRRSA-N 1 1 395.478 3.813 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000436267135 851377449 /nfs/dbraw/zinc/37/74/49/851377449.db2.gz BZCHRCBMQPBHGK-UHFFFAOYSA-N 1 1 391.353 3.908 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436256605 851386732 /nfs/dbraw/zinc/38/67/32/851386732.db2.gz AMDKBJCPXAWPKN-INIZCTEOSA-N 1 1 376.457 3.522 20 5 GHBDMO CC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000488365502 851433420 /nfs/dbraw/zinc/43/34/20/851433420.db2.gz YIZAKDTVORNQCW-ZDUSSCGKSA-N 1 1 377.466 3.557 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000550105350 851585798 /nfs/dbraw/zinc/58/57/98/851585798.db2.gz AKSSURDXXOFLHF-GOSISDBHSA-N 1 1 380.366 3.750 20 5 GHBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488767814 851756522 /nfs/dbraw/zinc/75/65/22/851756522.db2.gz KZQFTPFJHVDUEC-ZRGWGRIASA-N 1 1 381.480 3.527 20 5 GHBDMO CC(C)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+]1CCc2ccccc2C1 ZINC000604540236 862291881 /nfs/dbraw/zinc/29/18/81/862291881.db2.gz FOQXRZZLCQMKPB-UHFFFAOYSA-N 1 1 392.459 3.643 20 5 GHBDMO C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000438134425 852055963 /nfs/dbraw/zinc/05/59/63/852055963.db2.gz YIMFPIXRSHALPC-INIZCTEOSA-N 1 1 379.460 3.533 20 5 GHBDMO C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000438134425 852055970 /nfs/dbraw/zinc/05/59/70/852055970.db2.gz YIMFPIXRSHALPC-INIZCTEOSA-N 1 1 379.460 3.533 20 5 GHBDMO [NH3+][C@@H]1CCC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000414925372 852158386 /nfs/dbraw/zinc/15/83/86/852158386.db2.gz LSTZJNYRKOYSQL-NEPJUHHUSA-N 1 1 394.269 3.977 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000489501575 852390729 /nfs/dbraw/zinc/39/07/29/852390729.db2.gz WXFDTNYZMNTKHU-XLIONFOSSA-N 1 1 396.491 3.647 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000426012940 852408400 /nfs/dbraw/zinc/40/84/00/852408400.db2.gz JXAGNSRIYAXKLY-MRXNPFEDSA-N 1 1 388.512 3.779 20 5 GHBDMO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000489768907 852596853 /nfs/dbraw/zinc/59/68/53/852596853.db2.gz FVRZPFKPVOYJHU-IEBWSBKVSA-N 1 1 396.491 3.520 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000505930691 852628683 /nfs/dbraw/zinc/62/86/83/852628683.db2.gz QTFJXRBMUJAPDD-GJZGRUSLSA-N 1 1 379.526 3.947 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000507202068 852651518 /nfs/dbraw/zinc/65/15/18/852651518.db2.gz GIODVJHETHUWRX-CVEARBPZSA-N 1 1 383.448 3.728 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000729472645 852822685 /nfs/dbraw/zinc/82/26/85/852822685.db2.gz SOEJXTRECJLNCN-INIZCTEOSA-N 1 1 385.395 3.697 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000729472645 852822691 /nfs/dbraw/zinc/82/26/91/852822691.db2.gz SOEJXTRECJLNCN-INIZCTEOSA-N 1 1 385.395 3.697 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490330088 852959760 /nfs/dbraw/zinc/95/97/60/852959760.db2.gz YRRCTWDJBCSPBN-DOTOQJQBSA-N 1 1 395.431 3.888 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490330088 852959767 /nfs/dbraw/zinc/95/97/67/852959767.db2.gz YRRCTWDJBCSPBN-DOTOQJQBSA-N 1 1 395.431 3.888 20 5 GHBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000414959823 852985617 /nfs/dbraw/zinc/98/56/17/852985617.db2.gz UFDPRXPHKQBYGQ-SLFFLAALSA-N 1 1 377.444 3.710 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000439270689 853497129 /nfs/dbraw/zinc/49/71/29/853497129.db2.gz HYURDGXQAZQNHM-JOCHJYFZSA-N 1 1 399.491 3.895 20 5 GHBDMO C[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000426351053 853543899 /nfs/dbraw/zinc/54/38/99/853543899.db2.gz HFRFBTNQAMULGS-KRWDZBQOSA-N 1 1 396.491 3.789 20 5 GHBDMO C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000439334453 853545341 /nfs/dbraw/zinc/54/53/41/853545341.db2.gz XGINMDJCPSVNHS-GOEBONIOSA-N 1 1 397.431 3.530 20 5 GHBDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000439334453 853545349 /nfs/dbraw/zinc/54/53/49/853545349.db2.gz XGINMDJCPSVNHS-GOEBONIOSA-N 1 1 397.431 3.530 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000571429505 853877509 /nfs/dbraw/zinc/87/75/09/853877509.db2.gz GJNMGGZLDSSXBE-RLFYNMQTSA-N 1 1 391.537 3.899 20 5 GHBDMO COc1ccccc1[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000055752578 854089766 /nfs/dbraw/zinc/08/97/66/854089766.db2.gz FWJUWJJLVZIRSL-MRXNPFEDSA-N 1 1 389.477 3.622 20 5 GHBDMO CCC(CC)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000165339430 854876491 /nfs/dbraw/zinc/87/64/91/854876491.db2.gz LJOLWLCMZHTOGG-UHFFFAOYSA-N 1 1 384.274 3.949 20 5 GHBDMO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000590032954 855242831 /nfs/dbraw/zinc/24/28/31/855242831.db2.gz OQXOMKRIWOYTNR-LJQANCHMSA-N 1 1 395.503 3.901 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000590421540 855401452 /nfs/dbraw/zinc/40/14/52/855401452.db2.gz OXOACQPYEXDPSY-FQEVSTJZSA-N 1 1 381.476 3.508 20 5 GHBDMO C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)c1cccc([N+](=O)[O-])c1 ZINC000590423884 855402126 /nfs/dbraw/zinc/40/21/26/855402126.db2.gz PWSIGOXBIBHXDF-CYBMUJFWSA-N 1 1 378.432 3.555 20 5 GHBDMO C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)c1cccc([N+](=O)[O-])c1 ZINC000590423884 855402133 /nfs/dbraw/zinc/40/21/33/855402133.db2.gz PWSIGOXBIBHXDF-CYBMUJFWSA-N 1 1 378.432 3.555 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000184658609 855470401 /nfs/dbraw/zinc/47/04/01/855470401.db2.gz LZUFUPMZKMBGIB-OAQYLSRUSA-N 1 1 395.503 3.898 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000590537220 855488759 /nfs/dbraw/zinc/48/87/59/855488759.db2.gz DOSBEWOPQBEDNE-OALUTQOASA-N 1 1 399.422 3.645 20 5 GHBDMO Cc1nc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000542705607 855496253 /nfs/dbraw/zinc/49/62/53/855496253.db2.gz YGKVJECKVKYJPP-DYESRHJHSA-N 1 1 380.448 3.539 20 5 GHBDMO COc1cc(NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c([N+](=O)[O-])cc1C ZINC000590578093 855496847 /nfs/dbraw/zinc/49/68/47/855496847.db2.gz LEZKTVPEVHJQGR-UHFFFAOYSA-N 1 1 388.468 3.841 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591066137 855763305 /nfs/dbraw/zinc/76/33/05/855763305.db2.gz JNJJCUCDVKXDFV-BULFRSBZSA-N 1 1 393.487 3.821 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000843776354 856118799 /nfs/dbraw/zinc/11/87/99/856118799.db2.gz MBRUAXZXRQYSFK-KRWDZBQOSA-N 1 1 385.439 3.684 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000554847103 856241808 /nfs/dbraw/zinc/24/18/08/856241808.db2.gz QFCJPYXJAWULRX-GOSISDBHSA-N 1 1 382.382 3.692 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)c2c(c1)COCO2 ZINC000592139296 856686906 /nfs/dbraw/zinc/68/69/06/856686906.db2.gz UFMHIHDIDFNLDK-NRFANRHFSA-N 1 1 398.459 3.625 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000507946832 856729226 /nfs/dbraw/zinc/72/92/26/856729226.db2.gz AVIAJIXRDXVEKM-CYBMUJFWSA-N 1 1 388.420 3.719 20 5 GHBDMO C[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000485589927 856793092 /nfs/dbraw/zinc/79/30/92/856793092.db2.gz HKMYCYXLIJWICS-QGZVFWFLSA-N 1 1 396.491 3.789 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000733300633 862845861 /nfs/dbraw/zinc/84/58/61/862845861.db2.gz UULBQULAOXMTAO-NRFANRHFSA-N 1 1 377.448 3.865 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301667503 856955445 /nfs/dbraw/zinc/95/54/45/856955445.db2.gz CTPFHOBHZQFMDH-KBPBESRZSA-N 1 1 397.317 3.843 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000508136747 856979081 /nfs/dbraw/zinc/97/90/81/856979081.db2.gz UXZHRCZQTZHPPU-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000508136747 856979092 /nfs/dbraw/zinc/97/90/92/856979092.db2.gz UXZHRCZQTZHPPU-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000245619289 857008281 /nfs/dbraw/zinc/00/82/81/857008281.db2.gz DRBFTGGEGHEYOX-CVAIRZPRSA-N 1 1 382.464 3.709 20 5 GHBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173868408 857170192 /nfs/dbraw/zinc/17/01/92/857170192.db2.gz KXYLNXQCGXHIKH-UKRRQHHQSA-N 1 1 381.498 3.538 20 5 GHBDMO CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](c2ccccc2)C1 ZINC000245867789 857185260 /nfs/dbraw/zinc/18/52/60/857185260.db2.gz QTCMLTAPFRGGPC-HXUWFJFHSA-N 1 1 392.459 3.781 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)s1 ZINC000593030781 857186285 /nfs/dbraw/zinc/18/62/85/857186285.db2.gz MUZDJQSTMPDNAQ-OAHLLOKOSA-N 1 1 399.520 3.795 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000174042477 857202504 /nfs/dbraw/zinc/20/25/04/857202504.db2.gz VCCCLWIBFXAYHX-YOEHRIQHSA-N 1 1 387.436 3.998 20 5 GHBDMO COc1ccc([C@H](NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000429248708 857212795 /nfs/dbraw/zinc/21/27/95/857212795.db2.gz WYUQCGJJPYZFND-OAQYLSRUSA-N 1 1 397.475 3.696 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)o2)c1 ZINC000281203980 862887865 /nfs/dbraw/zinc/88/78/65/862887865.db2.gz AQKNNCNOECHRHW-IPMKNSEASA-N 1 1 385.464 3.808 20 5 GHBDMO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000593078407 857340495 /nfs/dbraw/zinc/34/04/95/857340495.db2.gz YMHJPBYUVUNZGH-IUODEOHRSA-N 1 1 397.435 3.697 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593126898 857352962 /nfs/dbraw/zinc/35/29/62/857352962.db2.gz XLEIVLVNHNYABN-ACRUOGEOSA-N 1 1 396.443 3.876 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593126898 857352970 /nfs/dbraw/zinc/35/29/70/857352970.db2.gz XLEIVLVNHNYABN-ACRUOGEOSA-N 1 1 396.443 3.876 20 5 GHBDMO CCOc1ccc([C@H](C)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592403191 857379735 /nfs/dbraw/zinc/37/97/35/857379735.db2.gz NFWBDFWFPFYYOF-DBVUQKKJSA-N 1 1 383.492 3.990 20 5 GHBDMO CCS[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000246543208 857405112 /nfs/dbraw/zinc/40/51/12/857405112.db2.gz BYPSENXMLLZXIT-UKRRQHHQSA-N 1 1 381.498 3.538 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cccnc3-n3ccnc3)cs2)c1 ZINC000113320473 857424880 /nfs/dbraw/zinc/42/48/80/857424880.db2.gz UKHVUESBIWHLEM-UHFFFAOYSA-N 1 1 392.444 3.589 20 5 GHBDMO O=C(NCc1ccncc1)Nc1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000113355330 857442659 /nfs/dbraw/zinc/44/26/59/857442659.db2.gz YVTOKKRIEFVVOZ-UHFFFAOYSA-N 1 1 397.460 3.663 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000486240625 857564942 /nfs/dbraw/zinc/56/49/42/857564942.db2.gz AKOYIPNETKHHLL-HNNXBMFYSA-N 1 1 396.919 3.745 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592524591 857670285 /nfs/dbraw/zinc/67/02/85/857670285.db2.gz YRDPGVJAEYBUOQ-KZFLWGQDSA-N 1 1 379.460 3.636 20 5 GHBDMO CN(C)c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000486417455 857718495 /nfs/dbraw/zinc/71/84/95/857718495.db2.gz IMJMAURIUIZFBZ-UHFFFAOYSA-N 1 1 392.415 3.887 20 5 GHBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc2ccccc2c1 ZINC000027359639 857896495 /nfs/dbraw/zinc/89/64/95/857896495.db2.gz JLRWJNQVJZLHFN-UHFFFAOYSA-N 1 1 375.428 3.769 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc2ccccc2c1 ZINC000027359639 857896499 /nfs/dbraw/zinc/89/64/99/857896499.db2.gz JLRWJNQVJZLHFN-UHFFFAOYSA-N 1 1 375.428 3.769 20 5 GHBDMO CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)ccc21 ZINC001129229670 857939061 /nfs/dbraw/zinc/93/90/61/857939061.db2.gz FVUMKRJVAHZFKQ-RTBURBONSA-N 1 1 376.416 3.951 20 5 GHBDMO CN(C)c1[nH+]ccc2cc(NC(=O)CCOc3ccccc3[N+](=O)[O-])ccc21 ZINC001129230487 857940195 /nfs/dbraw/zinc/94/01/95/857940195.db2.gz GCFYSBBMQIDBGC-UHFFFAOYSA-N 1 1 380.404 3.617 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000066675788 858241134 /nfs/dbraw/zinc/24/11/34/858241134.db2.gz SLTDHQUXNSFJCS-UHFFFAOYSA-N 1 1 385.439 3.718 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000066675903 858241207 /nfs/dbraw/zinc/24/12/07/858241207.db2.gz BHLPZNWGEGRGGH-UHFFFAOYSA-N 1 1 381.476 3.887 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000078916832 858300162 /nfs/dbraw/zinc/30/01/62/858300162.db2.gz VTTBHVFUBBECJX-INIZCTEOSA-N 1 1 386.496 3.566 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000443071390 858338193 /nfs/dbraw/zinc/33/81/93/858338193.db2.gz SJFCGBUJNOZUIP-ZJTDPSCFSA-N 1 1 390.480 3.782 20 5 GHBDMO COc1cc(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000443071390 858338198 /nfs/dbraw/zinc/33/81/98/858338198.db2.gz SJFCGBUJNOZUIP-ZJTDPSCFSA-N 1 1 390.480 3.782 20 5 GHBDMO C[C@@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000595251014 858441830 /nfs/dbraw/zinc/44/18/30/858441830.db2.gz WJDLGVOKLGGFCU-MRVPVSSYSA-N 1 1 396.266 3.513 20 5 GHBDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595309568 858468361 /nfs/dbraw/zinc/46/83/61/858468361.db2.gz WVRCFWMTYMYUND-INIZCTEOSA-N 1 1 389.452 3.896 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)c1 ZINC000595770471 858665903 /nfs/dbraw/zinc/66/59/03/858665903.db2.gz WAUNVGDYDBWZFG-NRFANRHFSA-N 1 1 394.431 3.817 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000543181937 858756894 /nfs/dbraw/zinc/75/68/94/858756894.db2.gz RCUJGYXQKOSVDG-YCRPNKLZSA-N 1 1 395.459 3.576 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000543181935 858757288 /nfs/dbraw/zinc/75/72/88/858757288.db2.gz RCUJGYXQKOSVDG-QVKFZJNVSA-N 1 1 395.459 3.576 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000008092485 863066519 /nfs/dbraw/zinc/06/65/19/863066519.db2.gz ZUCMHUDJBYCHIH-UHFFFAOYSA-N 1 1 381.354 3.993 20 5 GHBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116277051 858922374 /nfs/dbraw/zinc/92/23/74/858922374.db2.gz LSMMTIYHOWDWAX-UHFFFAOYSA-N 1 1 375.856 3.972 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116277051 858922384 /nfs/dbraw/zinc/92/23/84/858922384.db2.gz LSMMTIYHOWDWAX-UHFFFAOYSA-N 1 1 375.856 3.972 20 5 GHBDMO C[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248554467 859184209 /nfs/dbraw/zinc/18/42/09/859184209.db2.gz HSZNCYPJGOYIAN-OWCLPIDISA-N 1 1 379.476 3.712 20 5 GHBDMO COc1ccc(C[C@H](C)N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001170355290 881399267 /nfs/dbraw/zinc/39/92/67/881399267.db2.gz YZRLWJBDEWRBFY-NYDSKATKSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001170355290 881399326 /nfs/dbraw/zinc/39/93/26/881399326.db2.gz YZRLWJBDEWRBFY-NYDSKATKSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001170355290 881399370 /nfs/dbraw/zinc/39/93/70/881399370.db2.gz YZRLWJBDEWRBFY-NYDSKATKSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000494267778 881410260 /nfs/dbraw/zinc/41/02/60/881410260.db2.gz JNOCRONBQFPVHC-SSZFMOIBSA-N 1 1 383.448 3.967 20 5 GHBDMO CC[N@H+](CCc1ccccn1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764315981 859377676 /nfs/dbraw/zinc/37/76/76/859377676.db2.gz SGOZBKBSCWPQCT-ZDUSSCGKSA-N 1 1 376.844 3.535 20 5 GHBDMO CC[N@@H+](CCc1ccccn1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764315981 859377679 /nfs/dbraw/zinc/37/76/79/859377679.db2.gz SGOZBKBSCWPQCT-ZDUSSCGKSA-N 1 1 376.844 3.535 20 5 GHBDMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)CC1 ZINC000597407034 859507556 /nfs/dbraw/zinc/50/75/56/859507556.db2.gz PXZRZARODRFPSZ-UHFFFAOYSA-N 1 1 398.511 3.574 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000176514182 881439735 /nfs/dbraw/zinc/43/97/35/881439735.db2.gz DMXLEQVUAWPZGJ-CABCVRRESA-N 1 1 379.888 3.975 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611236041 859657958 /nfs/dbraw/zinc/65/79/58/859657958.db2.gz NNRUAXMGLRUZIS-HZPDHXFCSA-N 1 1 380.448 3.831 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](c3nc4ccccc4o3)C1)OCCO2 ZINC000611253901 859664794 /nfs/dbraw/zinc/66/47/94/859664794.db2.gz MSJQSGUBOTVNRZ-AWEZNQCLSA-N 1 1 395.415 3.887 20 5 GHBDMO Cc1nc2sccn2c1C[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000474275110 859747390 /nfs/dbraw/zinc/74/73/90/859747390.db2.gz HDSPXQPYSBKNGW-UHFFFAOYSA-N 1 1 397.460 3.942 20 5 GHBDMO O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000611488560 859781699 /nfs/dbraw/zinc/78/16/99/859781699.db2.gz WBTNGFKNWSRKJA-INIZCTEOSA-N 1 1 394.475 3.991 20 5 GHBDMO C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611517945 859796817 /nfs/dbraw/zinc/79/68/17/859796817.db2.gz BFRMPAUKMFHEGA-DOTOQJQBSA-N 1 1 380.448 3.736 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000161306640 859822618 /nfs/dbraw/zinc/82/26/18/859822618.db2.gz MFZLAHWLGUKZMF-YJBOKZPZSA-N 1 1 391.537 3.899 20 5 GHBDMO COc1ccc(C[C@H](C)[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170346479 881469220 /nfs/dbraw/zinc/46/92/20/881469220.db2.gz NPXOIOASGLFVIQ-INIZCTEOSA-N 1 1 397.475 3.559 20 5 GHBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474328703 859861628 /nfs/dbraw/zinc/86/16/28/859861628.db2.gz GMHYLPVYRROZMA-MRXNPFEDSA-N 1 1 388.855 3.986 20 5 GHBDMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000123364340 859937275 /nfs/dbraw/zinc/93/72/75/859937275.db2.gz FMLWEHWTTNOIKS-SFHVURJKSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000123364340 859937281 /nfs/dbraw/zinc/93/72/81/859937281.db2.gz FMLWEHWTTNOIKS-SFHVURJKSA-N 1 1 380.404 3.991 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000765373086 859937903 /nfs/dbraw/zinc/93/79/03/859937903.db2.gz WBEYOKMKTGNNJU-INIZCTEOSA-N 1 1 379.420 3.691 20 5 GHBDMO Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123542406 859996935 /nfs/dbraw/zinc/99/69/35/859996935.db2.gz MINOOFQEMBZEIH-UHFFFAOYSA-N 1 1 382.464 3.940 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000123593390 860010775 /nfs/dbraw/zinc/01/07/75/860010775.db2.gz PNHFJOXSEZSLER-UHFFFAOYSA-N 1 1 379.526 3.901 20 5 GHBDMO C[N@@H+](Cc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3N)sc2c1)C1CC1 ZINC000598031014 860012016 /nfs/dbraw/zinc/01/20/16/860012016.db2.gz WBXREKHJFRRAFI-UHFFFAOYSA-N 1 1 397.460 3.633 20 5 GHBDMO COC(=O)[C@H](C)Oc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000154322930 860067060 /nfs/dbraw/zinc/06/70/60/860067060.db2.gz LKFOPKXFHATJOM-HNNXBMFYSA-N 1 1 384.432 3.700 20 5 GHBDMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000154322930 860067075 /nfs/dbraw/zinc/06/70/75/860067075.db2.gz LKFOPKXFHATJOM-HNNXBMFYSA-N 1 1 384.432 3.700 20 5 GHBDMO CC(C)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000092585611 860082374 /nfs/dbraw/zinc/08/23/74/860082374.db2.gz MWGJFTUFWUEULM-AWEZNQCLSA-N 1 1 391.493 3.559 20 5 GHBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000092585611 860082383 /nfs/dbraw/zinc/08/23/83/860082383.db2.gz MWGJFTUFWUEULM-AWEZNQCLSA-N 1 1 391.493 3.559 20 5 GHBDMO CCCc1noc([C@@H]2CCC[N@H+]([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)n1 ZINC001170352042 881498224 /nfs/dbraw/zinc/49/82/24/881498224.db2.gz KGFAQPBXXQLKIR-GDBMZVCRSA-N 1 1 388.468 3.750 20 5 GHBDMO COC1CC[NH+](C(C)(C)CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602547232 860093474 /nfs/dbraw/zinc/09/34/74/860093474.db2.gz MLCCTWLAWNYSMT-UHFFFAOYSA-N 1 1 389.418 3.593 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000598218881 860165477 /nfs/dbraw/zinc/16/54/77/860165477.db2.gz INYFFKWALHPZDZ-MRXNPFEDSA-N 1 1 375.469 3.519 20 5 GHBDMO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000727766949 860213185 /nfs/dbraw/zinc/21/31/85/860213185.db2.gz MHXFSXZGAFVSCJ-HNNXBMFYSA-N 1 1 396.491 3.647 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598396265 860279234 /nfs/dbraw/zinc/27/92/34/860279234.db2.gz IRWSUBBJCZTMLY-IBGZPJMESA-N 1 1 393.487 3.935 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccncc1)C1(CO)CCC1 ZINC000602901807 860353210 /nfs/dbraw/zinc/35/32/10/860353210.db2.gz IUDFCVWQMAPQRW-HXUWFJFHSA-N 1 1 385.464 3.771 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093820765 860357816 /nfs/dbraw/zinc/35/78/16/860357816.db2.gz WILOMRJJDJEFQS-QFIPXVFZSA-N 1 1 398.459 3.795 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000155006790 860359737 /nfs/dbraw/zinc/35/97/37/860359737.db2.gz VHJRTGFSMNHKHM-WBVHZDCISA-N 1 1 398.463 3.507 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000155006790 860359750 /nfs/dbraw/zinc/35/97/50/860359750.db2.gz VHJRTGFSMNHKHM-WBVHZDCISA-N 1 1 398.463 3.507 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000155054514 860379703 /nfs/dbraw/zinc/37/97/03/860379703.db2.gz SNYOXRXOJAWADQ-QGZVFWFLSA-N 1 1 398.463 3.509 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000093943255 860380281 /nfs/dbraw/zinc/38/02/81/860380281.db2.gz UQDLVBYASSKHRI-CQSZACIVSA-N 1 1 387.505 3.758 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000093943255 860380288 /nfs/dbraw/zinc/38/02/88/860380288.db2.gz UQDLVBYASSKHRI-CQSZACIVSA-N 1 1 387.505 3.758 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552249651 860408575 /nfs/dbraw/zinc/40/85/75/860408575.db2.gz GWEUDGXCTHBBFY-XLIONFOSSA-N 1 1 399.539 3.908 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000094106726 860413352 /nfs/dbraw/zinc/41/33/52/860413352.db2.gz QGLCPVBKZCRJCD-HXUWFJFHSA-N 1 1 395.503 3.814 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000552391300 860520627 /nfs/dbraw/zinc/52/06/27/860520627.db2.gz ASNGRMAIRDDBDH-UHFFFAOYSA-N 1 1 399.369 3.801 20 5 GHBDMO Cc1cnc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c(C)c1 ZINC000922741481 860532157 /nfs/dbraw/zinc/53/21/57/860532157.db2.gz NOSRHCMVDLAHPR-UHFFFAOYSA-N 1 1 397.216 3.501 20 5 GHBDMO Cc1cccc(C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000025534451 860535131 /nfs/dbraw/zinc/53/51/31/860535131.db2.gz OQNWGOZZALLXJP-HXUWFJFHSA-N 1 1 381.476 3.716 20 5 GHBDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(C)noc1C ZINC000155901195 860633127 /nfs/dbraw/zinc/63/31/27/860633127.db2.gz QEOQROWWRJCISE-HZMBPMFUSA-N 1 1 380.832 3.921 20 5 GHBDMO CC[N@H+](C)Cc1cc(O[C@@H]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593077 881565936 /nfs/dbraw/zinc/56/59/36/881565936.db2.gz ZIBRFOSCTRTZRQ-QFBILLFUSA-N 1 1 384.480 3.656 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593077 881565960 /nfs/dbraw/zinc/56/59/60/881565960.db2.gz ZIBRFOSCTRTZRQ-QFBILLFUSA-N 1 1 384.480 3.656 20 5 GHBDMO COc1ncc(Br)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000599070282 860776369 /nfs/dbraw/zinc/77/63/69/860776369.db2.gz KFSNBPJIECAVAZ-LLVKDONJSA-N 1 1 380.242 3.920 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H](c4ccsc4)C3)o2)c1 ZINC000126309549 861015509 /nfs/dbraw/zinc/01/55/09/861015509.db2.gz FZYSDMCMGNCTHT-GOSISDBHSA-N 1 1 385.445 3.927 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](c4ccsc4)C3)o2)c1 ZINC000126309549 861015529 /nfs/dbraw/zinc/01/55/29/861015529.db2.gz FZYSDMCMGNCTHT-GOSISDBHSA-N 1 1 385.445 3.927 20 5 GHBDMO Cc1ncc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)o1 ZINC000600111890 861042361 /nfs/dbraw/zinc/04/23/61/861042361.db2.gz SCGJTICABCPLBU-UHFFFAOYSA-N 1 1 398.488 3.938 20 5 GHBDMO CC(C)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@H+]1CCc2ccccc2C1 ZINC000603737986 861133270 /nfs/dbraw/zinc/13/32/70/861133270.db2.gz ZPQUHCLAGCOBOV-UHFFFAOYSA-N 1 1 393.443 3.908 20 5 GHBDMO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc(C(F)(F)F)c1 ZINC000600156173 861153935 /nfs/dbraw/zinc/15/39/35/861153935.db2.gz ODUBYIYXMFARMI-UHFFFAOYSA-N 1 1 384.358 3.656 20 5 GHBDMO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)Nc1cccc(F)c1 ZINC000609193367 881619020 /nfs/dbraw/zinc/61/90/20/881619020.db2.gz KHCYNSKIAANLTI-UHFFFAOYSA-N 1 1 398.394 3.502 20 5 GHBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)Nc1cccc(F)c1 ZINC000609193367 881619030 /nfs/dbraw/zinc/61/90/30/881619030.db2.gz KHCYNSKIAANLTI-UHFFFAOYSA-N 1 1 398.394 3.502 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)c(OC(F)F)c1 ZINC000302049760 861183686 /nfs/dbraw/zinc/18/36/86/861183686.db2.gz NDOMKUAJLYRYJF-UHFFFAOYSA-N 1 1 377.391 3.909 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000733754364 863146330 /nfs/dbraw/zinc/14/63/30/863146330.db2.gz YJVFYXPZEDKOPB-CVEARBPZSA-N 1 1 376.526 3.878 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000733899381 863330225 /nfs/dbraw/zinc/33/02/25/863330225.db2.gz YEHIQHBYFBNLET-UHFFFAOYSA-N 1 1 396.919 3.631 20 5 GHBDMO C[C@]1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@H+]1Cc1ccccc1 ZINC000428327957 863515960 /nfs/dbraw/zinc/51/59/60/863515960.db2.gz VRTXDWJKLSSMIY-JOCHJYFZSA-N 1 1 392.459 3.861 20 5 GHBDMO COCCn1c(C)cc(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000444252366 863758229 /nfs/dbraw/zinc/75/82/29/863758229.db2.gz NHQCJNNRPJJCNI-UHFFFAOYSA-N 1 1 387.480 3.753 20 5 GHBDMO COCCn1c(C)cc(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000444252366 863758231 /nfs/dbraw/zinc/75/82/31/863758231.db2.gz NHQCJNNRPJJCNI-UHFFFAOYSA-N 1 1 387.480 3.753 20 5 GHBDMO CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000475109421 864188355 /nfs/dbraw/zinc/18/83/55/864188355.db2.gz QUXGOJZCFSWFIJ-WMZOPIPTSA-N 1 1 397.475 3.901 20 5 GHBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000475188960 864433597 /nfs/dbraw/zinc/43/35/97/864433597.db2.gz GEDFWVWDSKHYFJ-GFCCVEGCSA-N 1 1 388.390 3.713 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000792877910 881766424 /nfs/dbraw/zinc/76/64/24/881766424.db2.gz WZRHKNZNECRLBZ-GFCCVEGCSA-N 1 1 384.392 3.702 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792895756 881781918 /nfs/dbraw/zinc/78/19/18/881781918.db2.gz CEOMGWDHKVKPEG-CYBMUJFWSA-N 1 1 382.302 3.590 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)s1 ZINC000554688360 864743309 /nfs/dbraw/zinc/74/33/09/864743309.db2.gz PSADCDSICSYFMS-CQSZACIVSA-N 1 1 391.468 3.698 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cn3cnc4cc(F)c(F)cc43)CC2)cc1 ZINC000173434945 864763540 /nfs/dbraw/zinc/76/35/40/864763540.db2.gz IZSFBXQBHYNQJC-UHFFFAOYSA-N 1 1 388.374 3.724 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000735672329 864918644 /nfs/dbraw/zinc/91/86/44/864918644.db2.gz MRWHYRAFSKMPDQ-UHFFFAOYSA-N 1 1 377.238 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000735672329 864918649 /nfs/dbraw/zinc/91/86/49/864918649.db2.gz MRWHYRAFSKMPDQ-UHFFFAOYSA-N 1 1 377.238 3.794 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000121273713 864982406 /nfs/dbraw/zinc/98/24/06/864982406.db2.gz IBGZIABVFVGQNA-UHFFFAOYSA-N 1 1 396.491 3.921 20 5 GHBDMO COc1ccc(OCC[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000184864890 865002015 /nfs/dbraw/zinc/00/20/15/865002015.db2.gz CNRIWUSUSQYYCI-AWEZNQCLSA-N 1 1 383.404 3.988 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000554847104 865035604 /nfs/dbraw/zinc/03/56/04/865035604.db2.gz QFCJPYXJAWULRX-SFHVURJKSA-N 1 1 382.382 3.692 20 5 GHBDMO C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184913114 865038880 /nfs/dbraw/zinc/03/88/80/865038880.db2.gz RYFYEPYDBQFVSO-KPZWWZAWSA-N 1 1 393.846 3.910 20 5 GHBDMO CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174051521 865370106 /nfs/dbraw/zinc/37/01/06/865370106.db2.gz ONTSSAOOIZHYHJ-OAHLLOKOSA-N 1 1 389.402 3.610 20 5 GHBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)c2)C[C@H](C)O1 ZINC000737600419 865403947 /nfs/dbraw/zinc/40/39/47/865403947.db2.gz SCIIZYVILJJGEP-KBPBESRZSA-N 1 1 387.411 3.595 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](Cc4ccc(F)cc4)C3)o2)cc1 ZINC000121314863 865529705 /nfs/dbraw/zinc/52/97/05/865529705.db2.gz KPDOTUOBDHMUFQ-HNNXBMFYSA-N 1 1 382.395 3.849 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)C(C)C ZINC000608838794 865740840 /nfs/dbraw/zinc/74/08/40/865740840.db2.gz MGFYBXQRYQQHPS-IAGOWNOFSA-N 1 1 390.528 3.537 20 5 GHBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000608915556 865813355 /nfs/dbraw/zinc/81/33/55/865813355.db2.gz KEYIJALYIUWRTA-HZPDHXFCSA-N 1 1 399.495 3.623 20 5 GHBDMO CCCCCC[C@](O)(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC ZINC001170425260 881915621 /nfs/dbraw/zinc/91/56/21/881915621.db2.gz SIAVZXWSGWGYTF-NQIIRXRSSA-N 1 1 392.496 3.649 20 5 GHBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000185476938 866132022 /nfs/dbraw/zinc/13/20/22/866132022.db2.gz RGRCLIKBVQCHFS-LLVKDONJSA-N 1 1 397.298 3.697 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475554956 866264453 /nfs/dbraw/zinc/26/44/53/866264453.db2.gz TXHFMPDMUSGYBS-KRWDZBQOSA-N 1 1 388.395 3.623 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475554956 866264462 /nfs/dbraw/zinc/26/44/62/866264462.db2.gz TXHFMPDMUSGYBS-KRWDZBQOSA-N 1 1 388.395 3.623 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000475582451 866426387 /nfs/dbraw/zinc/42/63/87/866426387.db2.gz SWHIONJQVKSYLS-GFCCVEGCSA-N 1 1 394.374 3.618 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000475582451 866426389 /nfs/dbraw/zinc/42/63/89/866426389.db2.gz SWHIONJQVKSYLS-GFCCVEGCSA-N 1 1 394.374 3.618 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+](Cc2ccccc2F)C(C)C)cc1[N+](=O)[O-] ZINC000475583720 866431893 /nfs/dbraw/zinc/43/18/93/866431893.db2.gz XFOYZBFHLBDLRS-UHFFFAOYSA-N 1 1 390.411 3.696 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](Cc2ccccc2F)C(C)C)cc1[N+](=O)[O-] ZINC000475583720 866431902 /nfs/dbraw/zinc/43/19/02/866431902.db2.gz XFOYZBFHLBDLRS-UHFFFAOYSA-N 1 1 390.411 3.696 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000475586087 866453456 /nfs/dbraw/zinc/45/34/56/866453456.db2.gz WUFSOBSBMQIJRY-KRWDZBQOSA-N 1 1 376.453 3.691 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](Cc2cccs2)CC1 ZINC000741747014 866752054 /nfs/dbraw/zinc/75/20/54/866752054.db2.gz LZDTYUUTNXXNCX-UHFFFAOYSA-N 1 1 382.283 3.741 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOc3cccc4ccccc43)C2)nc1 ZINC000440482665 866914733 /nfs/dbraw/zinc/91/47/33/866914733.db2.gz BNWADTFXFBSUFE-QGZVFWFLSA-N 1 1 378.432 3.708 20 5 GHBDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444630770 866990281 /nfs/dbraw/zinc/99/02/81/866990281.db2.gz INXMXPVONMZITF-UHFFFAOYSA-N 1 1 395.463 3.633 20 5 GHBDMO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000440504394 867025448 /nfs/dbraw/zinc/02/54/48/867025448.db2.gz WOHDJDMDKRUAFZ-ZBFHGGJFSA-N 1 1 394.435 3.596 20 5 GHBDMO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000440504394 867025473 /nfs/dbraw/zinc/02/54/73/867025473.db2.gz WOHDJDMDKRUAFZ-ZBFHGGJFSA-N 1 1 394.435 3.596 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)nc1-c1ccncc1 ZINC000742147068 867080429 /nfs/dbraw/zinc/08/04/29/867080429.db2.gz AUOVUCCKHZXKKC-SFHVURJKSA-N 1 1 377.448 3.766 20 5 GHBDMO Cc1cc2c(ncnc2N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000444711759 867102967 /nfs/dbraw/zinc/10/29/67/867102967.db2.gz VHVYAXSTPZIFFU-AWEZNQCLSA-N 1 1 383.477 3.791 20 5 GHBDMO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000742176854 867135859 /nfs/dbraw/zinc/13/58/59/867135859.db2.gz NKYTZNGQQWUCCI-OAHLLOKOSA-N 1 1 399.882 3.934 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C4(CC4)C3)o2)c(Br)c1 ZINC000428384246 867554623 /nfs/dbraw/zinc/55/46/23/867554623.db2.gz WZIPTCVTLXYGKS-INIZCTEOSA-N 1 1 393.237 3.574 20 5 GHBDMO C[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000742962633 867700796 /nfs/dbraw/zinc/70/07/96/867700796.db2.gz NQAFTQNYXMQIHF-ZPHJMFTNSA-N 1 1 379.460 3.731 20 5 GHBDMO CCN(CC)c1ncc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000537635784 882153142 /nfs/dbraw/zinc/15/31/42/882153142.db2.gz VEBNOXWURBRYGA-UHFFFAOYSA-N 1 1 390.509 3.941 20 5 GHBDMO Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000743388446 868145733 /nfs/dbraw/zinc/14/57/33/868145733.db2.gz OQVISQHJDOTDBE-OAQYLSRUSA-N 1 1 394.475 3.934 20 5 GHBDMO CC(C)Oc1cccc(C[N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000535213147 868382401 /nfs/dbraw/zinc/38/24/01/868382401.db2.gz WONQRCMLBRHMNZ-UHFFFAOYSA-N 1 1 399.447 3.812 20 5 GHBDMO C[C@@H]1C[NH+](CCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000491262452 869277192 /nfs/dbraw/zinc/27/71/92/869277192.db2.gz YRMWXGOAUXQXDA-HMFYCAOWSA-N 1 1 383.492 3.773 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)cc1OC ZINC000446059601 869351375 /nfs/dbraw/zinc/35/13/75/869351375.db2.gz JIVFDXWUAKERTI-KUHUBIRLSA-N 1 1 380.485 3.621 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)C(C)(C)C2)cc1OC ZINC000446059601 869351388 /nfs/dbraw/zinc/35/13/88/869351388.db2.gz JIVFDXWUAKERTI-KUHUBIRLSA-N 1 1 380.485 3.621 20 5 GHBDMO O=[N+]([O-])c1ccccc1CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000029846128 869546063 /nfs/dbraw/zinc/54/60/63/869546063.db2.gz YNRHWMZTOCJURV-UHFFFAOYSA-N 1 1 379.382 3.931 20 5 GHBDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000524885153 869730721 /nfs/dbraw/zinc/73/07/21/869730721.db2.gz KZKNAKLLAKEOJK-ROUUACIJSA-N 1 1 396.491 3.962 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)CC2 ZINC000446735098 870246435 /nfs/dbraw/zinc/24/64/35/870246435.db2.gz AUUAAXPBGLCDJH-MRXNPFEDSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)CC2 ZINC000446735098 870246441 /nfs/dbraw/zinc/24/64/41/870246441.db2.gz AUUAAXPBGLCDJH-MRXNPFEDSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000538733842 870479442 /nfs/dbraw/zinc/47/94/42/870479442.db2.gz BXGYWKDQACCIIX-UHFFFAOYSA-N 1 1 392.459 3.883 20 5 GHBDMO C[C@H]1[C@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC001192672224 870591163 /nfs/dbraw/zinc/59/11/63/870591163.db2.gz FORSTKPFFWYRMD-HOTGVXAUSA-N 1 1 393.484 3.693 20 5 GHBDMO C[C@H]1[C@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC001192672224 870591166 /nfs/dbraw/zinc/59/11/66/870591166.db2.gz FORSTKPFFWYRMD-HOTGVXAUSA-N 1 1 393.484 3.693 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000538833953 870711656 /nfs/dbraw/zinc/71/16/56/870711656.db2.gz HVQALRCTOMIPNZ-MRXNPFEDSA-N 1 1 387.436 3.544 20 5 GHBDMO C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617742715 870821748 /nfs/dbraw/zinc/82/17/48/870821748.db2.gz UKNCVQAFFLRNFH-MSOLQXFVSA-N 1 1 381.476 3.821 20 5 GHBDMO Cc1cc(Br)cc2c1C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000775561363 870835180 /nfs/dbraw/zinc/83/51/80/870835180.db2.gz QCSPRWTYVBVGPG-SFHVURJKSA-N 1 1 391.265 3.757 20 5 GHBDMO Cc1cc(Br)cc2c1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000775561363 870835189 /nfs/dbraw/zinc/83/51/89/870835189.db2.gz QCSPRWTYVBVGPG-SFHVURJKSA-N 1 1 391.265 3.757 20 5 GHBDMO COc1ccc(OCCN2CCC[N@@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000441210433 871077204 /nfs/dbraw/zinc/07/72/04/871077204.db2.gz UELQCBDUDGTHOJ-UHFFFAOYSA-N 1 1 391.512 3.570 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([N@@H+](CC2CC2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169054665 871133989 /nfs/dbraw/zinc/13/39/89/871133989.db2.gz NIBIHAFFFXNRKM-NCXUSEDFSA-N 1 1 395.544 3.980 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053781 871134097 /nfs/dbraw/zinc/13/40/97/871134097.db2.gz JMDLWYOXIWRGFB-SZMVWBNQSA-N 1 1 381.517 3.686 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](Cc4ccccc4)C3)o2)c1 ZINC000181539434 871140975 /nfs/dbraw/zinc/14/09/75/871140975.db2.gz SKPIUPZOCQZLCC-FQEVSTJZSA-N 1 1 393.443 3.736 20 5 GHBDMO Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(-c3ccc([N+](=O)[O-])s3)n2)c1 ZINC001212585315 871240125 /nfs/dbraw/zinc/24/01/25/871240125.db2.gz AGOVWTUXPYLVFE-UHFFFAOYSA-N 1 1 395.400 3.761 20 5 GHBDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]2C ZINC001169152527 871266125 /nfs/dbraw/zinc/26/61/25/871266125.db2.gz LRKNMUIPBOAEDB-HUUCEWRRSA-N 1 1 386.448 3.999 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000251933933 871401532 /nfs/dbraw/zinc/40/15/32/871401532.db2.gz YZHYRPXRJJYWBZ-HZPDHXFCSA-N 1 1 383.448 3.653 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000251933933 871401536 /nfs/dbraw/zinc/40/15/36/871401536.db2.gz YZHYRPXRJJYWBZ-HZPDHXFCSA-N 1 1 383.448 3.653 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@]2(CO)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000191651535 882550511 /nfs/dbraw/zinc/55/05/11/882550511.db2.gz GZTRBXQINPMYIP-GOSISDBHSA-N 1 1 388.411 3.578 20 5 GHBDMO CCOc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000525996892 871838782 /nfs/dbraw/zinc/83/87/82/871838782.db2.gz REJWKNDGQPZZHH-GASCZTMLSA-N 1 1 388.468 3.560 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000526063453 872065313 /nfs/dbraw/zinc/06/53/13/872065313.db2.gz LHRMECWXUIIBRH-VPULJAIHSA-N 1 1 394.519 3.576 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447685117 872097623 /nfs/dbraw/zinc/09/76/23/872097623.db2.gz HZNRGSFFXAIIDD-UHFFFAOYSA-N 1 1 391.431 3.730 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001195289537 872316096 /nfs/dbraw/zinc/31/60/96/872316096.db2.gz OSMPMCLDQQOVPS-QWHCGFSZSA-N 1 1 382.432 3.685 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001195289537 872316112 /nfs/dbraw/zinc/31/61/12/872316112.db2.gz OSMPMCLDQQOVPS-QWHCGFSZSA-N 1 1 382.432 3.685 20 5 GHBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000478005656 872341457 /nfs/dbraw/zinc/34/14/57/872341457.db2.gz WSBLTNWTFZRMEH-CYBMUJFWSA-N 1 1 397.298 3.723 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1Cl ZINC000478049889 872427284 /nfs/dbraw/zinc/42/72/84/872427284.db2.gz YMIQNAJWAYXKNF-UHFFFAOYSA-N 1 1 399.838 3.748 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001127247391 872788830 /nfs/dbraw/zinc/78/88/30/872788830.db2.gz WXAAHEBOJYYDNG-DEVSCXNHSA-N 1 1 393.487 3.820 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2C(C)(C)O)cc1OC ZINC000541059230 872818750 /nfs/dbraw/zinc/81/87/50/872818750.db2.gz IBOKXXIHHNOPJM-LIRRHRJNSA-N 1 1 380.485 3.764 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000463956083 872948671 /nfs/dbraw/zinc/94/86/71/872948671.db2.gz UPJNVLQACLXVCX-CQSZACIVSA-N 1 1 388.493 3.841 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000463956083 872948681 /nfs/dbraw/zinc/94/86/81/872948681.db2.gz UPJNVLQACLXVCX-CQSZACIVSA-N 1 1 388.493 3.841 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1 ZINC000619846892 873075498 /nfs/dbraw/zinc/07/54/98/873075498.db2.gz NBQLZBBAGCHXMK-GOSISDBHSA-N 1 1 380.803 3.947 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC000619846892 873075513 /nfs/dbraw/zinc/07/55/13/873075513.db2.gz NBQLZBBAGCHXMK-GOSISDBHSA-N 1 1 380.803 3.947 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1Cl ZINC000768670658 873495126 /nfs/dbraw/zinc/49/51/26/873495126.db2.gz XMCVBUVDMNMVMC-INIZCTEOSA-N 1 1 382.247 3.934 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000768711292 873512803 /nfs/dbraw/zinc/51/28/03/873512803.db2.gz MVXOHNNZJAQFPI-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768926655 873696175 /nfs/dbraw/zinc/69/61/75/873696175.db2.gz LDSIQRNYMNIGFL-UHFFFAOYSA-N 1 1 384.318 3.910 20 5 GHBDMO CCOc1cc(CN2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001197591335 873929641 /nfs/dbraw/zinc/92/96/41/873929641.db2.gz XPVFMUIIYBOLPP-OFNKIYASSA-N 1 1 395.503 3.947 20 5 GHBDMO CCOc1cc(C[N@@H+](CC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001197672600 873960355 /nfs/dbraw/zinc/96/03/55/873960355.db2.gz RTLHJKQSJZFOER-INIZCTEOSA-N 1 1 393.484 3.825 20 5 GHBDMO C[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541603717 873970299 /nfs/dbraw/zinc/97/02/99/873970299.db2.gz VIRGSSCACMPCMC-BQFCYCMXSA-N 1 1 399.466 3.864 20 5 GHBDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000769343909 873985474 /nfs/dbraw/zinc/98/54/74/873985474.db2.gz VNJLHHBDMAYTKW-GOSISDBHSA-N 1 1 383.448 3.832 20 5 GHBDMO CCC1(CC)C[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000464582696 874108651 /nfs/dbraw/zinc/10/86/51/874108651.db2.gz XKBZSPMJBRYFMA-CYBMUJFWSA-N 1 1 381.498 3.538 20 5 GHBDMO CCC1(CC)C[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000464582696 874108656 /nfs/dbraw/zinc/10/86/56/874108656.db2.gz XKBZSPMJBRYFMA-CYBMUJFWSA-N 1 1 381.498 3.538 20 5 GHBDMO CCC1(CC)C[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000464578121 874111888 /nfs/dbraw/zinc/11/18/88/874111888.db2.gz TWEGCYOVJMJUBO-ZDUSSCGKSA-N 1 1 381.498 3.538 20 5 GHBDMO CCC1(CC)C[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000464578121 874111894 /nfs/dbraw/zinc/11/18/94/874111894.db2.gz TWEGCYOVJMJUBO-ZDUSSCGKSA-N 1 1 381.498 3.538 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](c3ccccc3C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000475720276 882804165 /nfs/dbraw/zinc/80/41/65/882804165.db2.gz WGQSBKUJOCKKCP-SJLPKXTDSA-N 1 1 398.459 3.833 20 5 GHBDMO CC(C)[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000770047646 874425145 /nfs/dbraw/zinc/42/51/45/874425145.db2.gz ZDTXXWFAULKSBN-KRWDZBQOSA-N 1 1 378.856 3.899 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000770133189 874485523 /nfs/dbraw/zinc/48/55/23/874485523.db2.gz XHTZBQFMWHMUMV-UHFFFAOYSA-N 1 1 380.920 3.551 20 5 GHBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505228 874970611 /nfs/dbraw/zinc/97/06/11/874970611.db2.gz WTHKYAZEMWEAFM-QAPCUYQASA-N 1 1 388.489 3.939 20 5 GHBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505228 874970623 /nfs/dbraw/zinc/97/06/23/874970623.db2.gz WTHKYAZEMWEAFM-QAPCUYQASA-N 1 1 388.489 3.939 20 5 GHBDMO Cc1sc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000465186475 875265821 /nfs/dbraw/zinc/26/58/21/875265821.db2.gz OMACGXJNBMQMEQ-ZDUSSCGKSA-N 1 1 389.477 3.938 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000542258448 875266246 /nfs/dbraw/zinc/26/62/46/875266246.db2.gz DDCDQEOJTPYJNE-LBPRGKRZSA-N 1 1 397.258 3.920 20 5 GHBDMO CC(C)C[N@H+]1CCO[C@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491409504 875675222 /nfs/dbraw/zinc/67/52/22/875675222.db2.gz HUKODKIUCQQPBG-FGZHOGPDSA-N 1 1 383.492 3.631 20 5 GHBDMO CC(C)CN1CCO[C@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491409504 875675230 /nfs/dbraw/zinc/67/52/30/875675230.db2.gz HUKODKIUCQQPBG-FGZHOGPDSA-N 1 1 383.492 3.631 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000460727719 875818160 /nfs/dbraw/zinc/81/81/60/875818160.db2.gz KLVDFMNUCJHRBN-HDICACEKSA-N 1 1 395.503 3.932 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)[NH+]1CCOCC1 ZINC000106405646 876024348 /nfs/dbraw/zinc/02/43/48/876024348.db2.gz MVXJMKGXEVULNZ-ZDUSSCGKSA-N 1 1 389.839 3.894 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000443869013 876110737 /nfs/dbraw/zinc/11/07/37/876110737.db2.gz OEUQARBRMFLRIX-HXUWFJFHSA-N 1 1 397.475 3.820 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776280150 876170220 /nfs/dbraw/zinc/17/02/20/876170220.db2.gz WVERXSWGHKPWHR-OAQYLSRUSA-N 1 1 398.438 3.722 20 5 GHBDMO C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000450814766 876932413 /nfs/dbraw/zinc/93/24/13/876932413.db2.gz WDJCNICGNMJUDP-CQSZACIVSA-N 1 1 383.477 3.558 20 5 GHBDMO Cc1ccc(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000609975739 877236544 /nfs/dbraw/zinc/23/65/44/877236544.db2.gz OMVRDYQBRBRDCD-HOTGVXAUSA-N 1 1 383.448 3.765 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[N@@H+](CC4CCCCC4)CC3)n2)c1 ZINC000054319262 877291867 /nfs/dbraw/zinc/29/18/67/877291867.db2.gz QOXXNFXYLYUUHV-UHFFFAOYSA-N 1 1 399.495 3.733 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610062235 877347437 /nfs/dbraw/zinc/34/74/37/877347437.db2.gz BDBUWSPAJSMANK-IYBDPMFKSA-N 1 1 375.513 3.745 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000195684787 877528039 /nfs/dbraw/zinc/52/80/39/877528039.db2.gz QAPTXMFNNHEEDW-MRXNPFEDSA-N 1 1 396.491 3.941 20 5 GHBDMO COc1cc(C[NH+]2CCC(OCC(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000054325247 877542294 /nfs/dbraw/zinc/54/22/94/877542294.db2.gz UXMYVCKPGMRIEF-UHFFFAOYSA-N 1 1 388.411 3.842 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C1CC1 ZINC000130790608 877706181 /nfs/dbraw/zinc/70/61/81/877706181.db2.gz VGIPOUSASHEILW-UHFFFAOYSA-N 1 1 377.510 3.844 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451345916 877794944 /nfs/dbraw/zinc/79/49/44/877794944.db2.gz RKHIATJCQJXBBZ-PILAGYSTSA-N 1 1 386.452 3.721 20 5 GHBDMO Cc1noc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851832455 877931845 /nfs/dbraw/zinc/93/18/45/877931845.db2.gz CEPQUQFVBVNJPE-LSDHHAIUSA-N 1 1 394.472 3.645 20 5 GHBDMO Cc1noc(C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851832455 877931852 /nfs/dbraw/zinc/93/18/52/877931852.db2.gz CEPQUQFVBVNJPE-LSDHHAIUSA-N 1 1 394.472 3.645 20 5 GHBDMO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451501588 878052657 /nfs/dbraw/zinc/05/26/57/878052657.db2.gz AZEPKGSFGMPKKT-ZWKOTPCHSA-N 1 1 394.431 3.981 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000788460814 878081725 /nfs/dbraw/zinc/08/17/25/878081725.db2.gz INFKQLLQGSZHKS-INIZCTEOSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000788508971 878115123 /nfs/dbraw/zinc/11/51/23/878115123.db2.gz LJEGXWVLICCILC-AWEZNQCLSA-N 1 1 391.468 3.926 20 5 GHBDMO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553212 878137857 /nfs/dbraw/zinc/13/78/57/878137857.db2.gz XVHVYCLTVPDDGY-RDJZCZTQSA-N 1 1 385.468 3.579 20 5 GHBDMO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553212 878137870 /nfs/dbraw/zinc/13/78/70/878137870.db2.gz XVHVYCLTVPDDGY-RDJZCZTQSA-N 1 1 385.468 3.579 20 5 GHBDMO CC[N@H+](Cc1cccc(Br)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579872 878193823 /nfs/dbraw/zinc/19/38/23/878193823.db2.gz PAOBELQHNWWQLT-QGZVFWFLSA-N 1 1 379.254 3.913 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000852319165 878234981 /nfs/dbraw/zinc/23/49/81/878234981.db2.gz ZFPSMTYNDRWCAU-WOJBJXKFSA-N 1 1 398.459 3.569 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000852319135 878236110 /nfs/dbraw/zinc/23/61/10/878236110.db2.gz ZBOHLGUOIQOQHX-PMACEKPBSA-N 1 1 398.459 3.569 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000795680720 912325250 /nfs/dbraw/zinc/32/52/50/912325250.db2.gz PQIWWRRHQNWFDQ-DFQSSKMNSA-N 1 1 377.448 3.874 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000795682456 912330215 /nfs/dbraw/zinc/33/02/15/912330215.db2.gz XLAMTLOPEZDWFC-BBWFWOEESA-N 1 1 379.416 3.728 20 5 GHBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@@H](O)c4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC000776596504 878346615 /nfs/dbraw/zinc/34/66/15/878346615.db2.gz FWQJPVHRNFOETF-OXQOHEQNSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@@H]3CCC[N@H+](C[C@@H](O)c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000776596504 878346630 /nfs/dbraw/zinc/34/66/30/878346630.db2.gz FWQJPVHRNFOETF-OXQOHEQNSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](C[C@@H](O)c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000776596504 878346645 /nfs/dbraw/zinc/34/66/45/878346645.db2.gz FWQJPVHRNFOETF-OXQOHEQNSA-N 1 1 380.448 3.693 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000538035474 878709267 /nfs/dbraw/zinc/70/92/67/878709267.db2.gz XIKFPOBCXMMPOR-UHFFFAOYSA-N 1 1 379.476 3.954 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+](CCOCCO)C2CCC2)s1 ZINC000597206902 878735709 /nfs/dbraw/zinc/73/57/09/878735709.db2.gz WIVBDGJXKDOXAP-UHFFFAOYSA-N 1 1 376.478 3.687 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3cnc(F)cn3)CC2)s1 ZINC000853183539 878874686 /nfs/dbraw/zinc/87/46/86/878874686.db2.gz ZVHPXBXNQSZANJ-UHFFFAOYSA-N 1 1 399.451 3.575 20 5 GHBDMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000538176590 878981153 /nfs/dbraw/zinc/98/11/53/878981153.db2.gz WFMQFRGLUULZEW-INIZCTEOSA-N 1 1 393.365 3.767 20 5 GHBDMO O=[N+]([O-])c1cn(C[NH+]2CCC(c3ccc(F)cc3)CC2)nc1-c1ccccn1 ZINC000853501873 879066240 /nfs/dbraw/zinc/06/62/40/879066240.db2.gz MBWADTMVZOFXIS-UHFFFAOYSA-N 1 1 381.411 3.830 20 5 GHBDMO Cc1noc(C[NH+]2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)c1[N+](=O)[O-] ZINC000854108844 879546666 /nfs/dbraw/zinc/54/66/66/879546666.db2.gz LPYQFAOHWNOINL-UHFFFAOYSA-N 1 1 397.410 3.867 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000538568027 879731802 /nfs/dbraw/zinc/73/18/02/879731802.db2.gz KYCAPUDTMMTQRQ-SUMWQHHRSA-N 1 1 377.510 3.700 20 5 GHBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458311 879871570 /nfs/dbraw/zinc/87/15/70/879871570.db2.gz XVRMSFVZFZRQKX-IAGOWNOFSA-N 1 1 399.878 3.842 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CCN2CCOC(C)(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542473325 879873253 /nfs/dbraw/zinc/87/32/53/879873253.db2.gz HQNACYXMDZKEGZ-HXUWFJFHSA-N 1 1 387.480 3.540 20 5 GHBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+]([C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000453287955 880730798 /nfs/dbraw/zinc/73/07/98/880730798.db2.gz RRHFRAYGRLJCMS-XEYPJELSSA-N 1 1 393.487 3.587 20 5 GHBDMO CC(C)(C[C@@H]1CCC[N@H+]([C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000453291748 880738730 /nfs/dbraw/zinc/73/87/30/880738730.db2.gz VONPKMBZDHSHEH-SCTDSRPQSA-N 1 1 387.524 3.920 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000113924961 880980164 /nfs/dbraw/zinc/98/01/64/880980164.db2.gz UFAPHEXQIVUDTJ-HOTGVXAUSA-N 1 1 386.496 3.570 20 5 GHBDMO Cc1cc2ncn(C[C@H](O)C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2cc1C ZINC000064350603 883163930 /nfs/dbraw/zinc/16/39/30/883163930.db2.gz ARHSOHIPUQCSSR-HXUWFJFHSA-N 1 1 396.491 3.833 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193776720 883490605 /nfs/dbraw/zinc/49/06/05/883490605.db2.gz IYRMVWAPZCBONX-SFTDATJTSA-N 1 1 395.503 3.802 20 5 GHBDMO CCOc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1Cl ZINC000551236160 883523582 /nfs/dbraw/zinc/52/35/82/883523582.db2.gz IBRLXSCABWRKMH-UHFFFAOYSA-N 1 1 380.828 3.954 20 5 GHBDMO CCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000064632555 883782112 /nfs/dbraw/zinc/78/21/12/883782112.db2.gz DVWURBRIAKODFA-FPOVZHCZSA-N 1 1 384.476 3.604 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929275 884178425 /nfs/dbraw/zinc/17/84/25/884178425.db2.gz BEBTVYRRAVWTKJ-YTQUADARSA-N 1 1 395.459 3.668 20 5 GHBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897698299 884360944 /nfs/dbraw/zinc/36/09/44/884360944.db2.gz UUWKMAVCYJSWIO-UHFFFAOYSA-N 1 1 387.198 3.504 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2cncs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000897935414 884519407 /nfs/dbraw/zinc/51/94/07/884519407.db2.gz XDZNJWUQXAWPTA-SECBINFHSA-N 1 1 391.371 3.852 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000428548516 884578403 /nfs/dbraw/zinc/57/84/03/884578403.db2.gz OQJDAOYUPAPHCM-SFHVURJKSA-N 1 1 397.475 3.711 20 5 GHBDMO CC[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000914735135 884650834 /nfs/dbraw/zinc/65/08/34/884650834.db2.gz MLUCBPAMNANVAV-JTPHSUOKSA-N 1 1 379.460 3.561 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](Cc3cccc4cccnc43)CC2)c(F)c1 ZINC000795864559 912900260 /nfs/dbraw/zinc/90/02/60/912900260.db2.gz RLZXIBKNBXRFLL-UHFFFAOYSA-N 1 1 398.413 3.739 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000861444731 885510933 /nfs/dbraw/zinc/51/09/33/885510933.db2.gz BVIUVJWHGRKYDM-XJKSGUPXSA-N 1 1 392.349 3.954 20 5 GHBDMO CC[N@@H+](C)CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498750439 885590235 /nfs/dbraw/zinc/59/02/35/885590235.db2.gz CUEOIFAYMZFZRB-UHFFFAOYSA-N 1 1 390.871 3.542 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001131027848 885644492 /nfs/dbraw/zinc/64/44/92/885644492.db2.gz PXJDYLKFSALLEY-NRFANRHFSA-N 1 1 381.476 3.886 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cc1 ZINC000301057281 885771639 /nfs/dbraw/zinc/77/16/39/885771639.db2.gz AWLJNFKMXBTVFF-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000747469302 886134567 /nfs/dbraw/zinc/13/45/67/886134567.db2.gz ZIXXLTYHVHDDRH-APWZRJJASA-N 1 1 377.448 3.764 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556868686 886416267 /nfs/dbraw/zinc/41/62/67/886416267.db2.gz AHZYPUNJJQLDJT-APWZRJJASA-N 1 1 385.512 3.518 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000556867835 886418088 /nfs/dbraw/zinc/41/80/88/886418088.db2.gz JJWLXTLTCNVJCZ-JXFKEZNVSA-N 1 1 378.432 3.574 20 5 GHBDMO Cc1ccc(C)n1C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000499050930 886466253 /nfs/dbraw/zinc/46/62/53/886466253.db2.gz DXJQWGDLLKILHP-UHFFFAOYSA-N 1 1 381.436 3.900 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536505847 886590690 /nfs/dbraw/zinc/59/06/90/886590690.db2.gz MREZRNKISNOCAI-KRWDZBQOSA-N 1 1 392.459 3.670 20 5 GHBDMO Cc1cc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000153627145 886805265 /nfs/dbraw/zinc/80/52/65/886805265.db2.gz NUBUYESGBCOETM-SFHVURJKSA-N 1 1 382.464 3.889 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)nc1-c1ccccn1 ZINC000863321066 887032736 /nfs/dbraw/zinc/03/27/36/887032736.db2.gz NPFOFATZEGJQFC-OKZBNKHCSA-N 1 1 375.432 3.546 20 5 GHBDMO CC(C)(C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000763015545 887553453 /nfs/dbraw/zinc/55/34/53/887553453.db2.gz GPDXVLVBFJMMGH-OAHLLOKOSA-N 1 1 390.411 3.812 20 5 GHBDMO COC(=O)c1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000809753425 887792548 /nfs/dbraw/zinc/79/25/48/887792548.db2.gz IVXFVGSVCRMHJV-UHFFFAOYSA-N 1 1 393.237 3.742 20 5 GHBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000809945750 887997117 /nfs/dbraw/zinc/99/71/17/887997117.db2.gz BBFFQTZSFYGUIF-MRXNPFEDSA-N 1 1 399.274 3.911 20 5 GHBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000809945750 887997126 /nfs/dbraw/zinc/99/71/26/887997126.db2.gz BBFFQTZSFYGUIF-MRXNPFEDSA-N 1 1 399.274 3.911 20 5 GHBDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809969200 888011829 /nfs/dbraw/zinc/01/18/29/888011829.db2.gz OOULWBCJPVUUFT-UHFFFAOYSA-N 1 1 376.284 3.932 20 5 GHBDMO C[NH+](C)[C@@H](CNc1cc([N+](=O)[O-])c2nncn2c1)c1ccc(Cl)cc1Cl ZINC001170590459 888019291 /nfs/dbraw/zinc/01/92/91/888019291.db2.gz UMXBKDWYHSZNMP-HNNXBMFYSA-N 1 1 395.250 3.659 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC001132086316 888216015 /nfs/dbraw/zinc/21/60/15/888216015.db2.gz LLJWRGQDQZLVQP-DOTOQJQBSA-N 1 1 385.439 3.540 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCO[C@@H](c4ccccc4)C3)o2)cc1 ZINC000609234582 888247232 /nfs/dbraw/zinc/24/72/32/888247232.db2.gz WMEVHAUZFAKYRU-GOSISDBHSA-N 1 1 380.404 3.608 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCO[C@@H](c4ccccc4)C3)o2)cc1 ZINC000609234582 888247246 /nfs/dbraw/zinc/24/72/46/888247246.db2.gz WMEVHAUZFAKYRU-GOSISDBHSA-N 1 1 380.404 3.608 20 5 GHBDMO Cc1nn(C)c(NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000301122183 888661771 /nfs/dbraw/zinc/66/17/71/888661771.db2.gz XRAOGLKGUIHCPI-KRWDZBQOSA-N 1 1 397.504 3.910 20 5 GHBDMO Cc1nn(C)c(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000301122183 888661782 /nfs/dbraw/zinc/66/17/82/888661782.db2.gz XRAOGLKGUIHCPI-KRWDZBQOSA-N 1 1 397.504 3.910 20 5 GHBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000810843061 888934881 /nfs/dbraw/zinc/93/48/81/888934881.db2.gz VELLTKGAMGXRPY-OALUTQOASA-N 1 1 395.459 3.991 20 5 GHBDMO C[C@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866560766 888936447 /nfs/dbraw/zinc/93/64/47/888936447.db2.gz XLHYDSHSYOIIMH-JTQLQIEISA-N 1 1 383.374 3.579 20 5 GHBDMO COC[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000532966899 889399702 /nfs/dbraw/zinc/39/97/02/889399702.db2.gz AGJROMYELYHNHM-OXJNMPFZSA-N 1 1 383.448 3.551 20 5 GHBDMO COC[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000532966899 889399711 /nfs/dbraw/zinc/39/97/11/889399711.db2.gz AGJROMYELYHNHM-OXJNMPFZSA-N 1 1 383.448 3.551 20 5 GHBDMO O=C(C[N@@H+](C1CC1)[C@H]1CCc2ccccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533031277 889576951 /nfs/dbraw/zinc/57/69/51/889576951.db2.gz WPNAMAXOENWBLO-NRFANRHFSA-N 1 1 377.444 3.636 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)nc1 ZINC000533057922 889642471 /nfs/dbraw/zinc/64/24/71/889642471.db2.gz UMLDDESVBHQFTA-HNNXBMFYSA-N 1 1 399.838 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)nc1 ZINC000533057922 889642484 /nfs/dbraw/zinc/64/24/84/889642484.db2.gz UMLDDESVBHQFTA-HNNXBMFYSA-N 1 1 399.838 3.985 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)c2)c1 ZINC000811784139 889998351 /nfs/dbraw/zinc/99/83/51/889998351.db2.gz ORARGHPVCASHAJ-OAQYLSRUSA-N 1 1 389.459 3.553 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(Br)c1 ZINC000533251366 890098299 /nfs/dbraw/zinc/09/82/99/890098299.db2.gz MVHXYPQYICXDDU-GFCCVEGCSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(Br)c1 ZINC000533251366 890098313 /nfs/dbraw/zinc/09/83/13/890098313.db2.gz MVHXYPQYICXDDU-GFCCVEGCSA-N 1 1 392.253 3.816 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000533288494 890198231 /nfs/dbraw/zinc/19/82/31/890198231.db2.gz MARDEKGXXLTULV-ZDUSSCGKSA-N 1 1 387.411 3.690 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000533303941 890252658 /nfs/dbraw/zinc/25/26/58/890252658.db2.gz LSYDEKWFXFYCSG-AWEZNQCLSA-N 1 1 389.839 3.685 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000533303941 890252671 /nfs/dbraw/zinc/25/26/71/890252671.db2.gz LSYDEKWFXFYCSG-AWEZNQCLSA-N 1 1 389.839 3.685 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000533382885 890391944 /nfs/dbraw/zinc/39/19/44/890391944.db2.gz PXJPNWGWLABIBD-UHFFFAOYSA-N 1 1 387.867 3.985 20 5 GHBDMO CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000533407159 890470596 /nfs/dbraw/zinc/47/05/96/890470596.db2.gz XVRFXHQZSPRPHP-IEBWSBKVSA-N 1 1 396.491 3.691 20 5 GHBDMO C[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812297824 890547358 /nfs/dbraw/zinc/54/73/58/890547358.db2.gz MYLANHFJIVHOTO-CABCVRRESA-N 1 1 383.374 3.864 20 5 GHBDMO C[N@@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812297824 890547369 /nfs/dbraw/zinc/54/73/69/890547369.db2.gz MYLANHFJIVHOTO-CABCVRRESA-N 1 1 383.374 3.864 20 5 GHBDMO COc1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)ccc1Cl ZINC000813171587 891332429 /nfs/dbraw/zinc/33/24/29/891332429.db2.gz MJJZTSLKMQWEEK-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO COc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)ccc1Cl ZINC000813171587 891332443 /nfs/dbraw/zinc/33/24/43/891332443.db2.gz MJJZTSLKMQWEEK-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000614938289 891615693 /nfs/dbraw/zinc/61/56/93/891615693.db2.gz NJBNUCBAHGDEMP-QGZVFWFLSA-N 1 1 398.463 3.637 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813421929 891636233 /nfs/dbraw/zinc/63/62/33/891636233.db2.gz ZIMGSBZQJIVRJW-GRYCIOLGSA-N 1 1 388.295 3.998 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000497483113 891680372 /nfs/dbraw/zinc/68/03/72/891680372.db2.gz LZVNVMBJCWXWIT-ZIAGYGMSSA-N 1 1 388.493 3.569 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)cc1 ZINC000130675665 891921770 /nfs/dbraw/zinc/92/17/70/891921770.db2.gz BXHFKCFXIXEPCY-MOPGFXCFSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)cc1 ZINC000130675665 891921776 /nfs/dbraw/zinc/92/17/76/891921776.db2.gz BXHFKCFXIXEPCY-MOPGFXCFSA-N 1 1 398.850 3.905 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(Cc4cccc(F)c4)CC3)n2)c1 ZINC000917470996 892063554 /nfs/dbraw/zinc/06/35/54/892063554.db2.gz CITKNHMPPRIZPE-UHFFFAOYSA-N 1 1 395.438 3.905 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)c1 ZINC000154439360 892179614 /nfs/dbraw/zinc/17/96/14/892179614.db2.gz MXNYDKUIPOWCJE-PMACEKPBSA-N 1 1 398.484 3.926 20 5 GHBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000509684016 892784656 /nfs/dbraw/zinc/78/46/56/892784656.db2.gz JVVFBTRSLCVSFL-GJZGRUSLSA-N 1 1 385.489 3.911 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000814644196 893035463 /nfs/dbraw/zinc/03/54/63/893035463.db2.gz DXNLFCQXDCKWNQ-UHFFFAOYSA-N 1 1 393.459 3.957 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](c4nccc(C(F)(F)F)n4)C3)nc2c1 ZINC000933711478 893160557 /nfs/dbraw/zinc/16/05/57/893160557.db2.gz COVKYBWTYZENSX-JTQLQIEISA-N 1 1 393.325 3.534 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](c4nccc(C(F)(F)F)n4)C3)nc2c1 ZINC000933711478 893160562 /nfs/dbraw/zinc/16/05/62/893160562.db2.gz COVKYBWTYZENSX-JTQLQIEISA-N 1 1 393.325 3.534 20 5 GHBDMO O=C1OCCN1c1cccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000876961124 893406557 /nfs/dbraw/zinc/40/65/57/893406557.db2.gz QQHIULATOFIGDD-UHFFFAOYSA-N 1 1 395.337 3.860 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000815112237 893443335 /nfs/dbraw/zinc/44/33/35/893443335.db2.gz ZNULCCNZVNEIGF-IAGOWNOFSA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000815112237 893443341 /nfs/dbraw/zinc/44/33/41/893443341.db2.gz ZNULCCNZVNEIGF-IAGOWNOFSA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000815208878 893609596 /nfs/dbraw/zinc/60/95/96/893609596.db2.gz DOJVPQYXZZKUGW-INIZCTEOSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000815208878 893609604 /nfs/dbraw/zinc/60/96/04/893609604.db2.gz DOJVPQYXZZKUGW-INIZCTEOSA-N 1 1 377.784 3.810 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000815251887 893635974 /nfs/dbraw/zinc/63/59/74/893635974.db2.gz ZVVYCARXTABUBR-MRXNPFEDSA-N 1 1 392.349 3.869 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878137356 894044603 /nfs/dbraw/zinc/04/46/03/894044603.db2.gz SWHWRGQWAUHRSD-CQSZACIVSA-N 1 1 382.420 3.716 20 5 GHBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000563743963 894136978 /nfs/dbraw/zinc/13/69/78/894136978.db2.gz UXJNVVDQTSBCMW-UHFFFAOYSA-N 1 1 381.476 3.942 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000536983528 894172295 /nfs/dbraw/zinc/17/22/95/894172295.db2.gz MORNUQFBBGBBIA-DNVCBOLYSA-N 1 1 394.475 3.734 20 5 GHBDMO Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)n1 ZINC000563778684 894181789 /nfs/dbraw/zinc/18/17/89/894181789.db2.gz VVUAZTTYAPYZLR-CQSZACIVSA-N 1 1 395.488 3.905 20 5 GHBDMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000537078393 894303734 /nfs/dbraw/zinc/30/37/34/894303734.db2.gz DKSDNGUZJRIAHP-MRXNPFEDSA-N 1 1 393.365 3.767 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001135280102 894326961 /nfs/dbraw/zinc/32/69/61/894326961.db2.gz QDVQEELHYJQTJB-ZHALLVOQSA-N 1 1 387.867 3.771 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1)C1CC1 ZINC000537132084 894377231 /nfs/dbraw/zinc/37/72/31/894377231.db2.gz OGIVRQSJLXNDKY-UHFFFAOYSA-N 1 1 382.464 3.672 20 5 GHBDMO C[C@@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000564005856 894443198 /nfs/dbraw/zinc/44/31/98/894443198.db2.gz QYGDENZRRYAPOZ-IAGOWNOFSA-N 1 1 399.466 3.960 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)o1 ZINC000878625327 894452314 /nfs/dbraw/zinc/45/23/14/894452314.db2.gz RGFVIHKPRBCMBF-NRFANRHFSA-N 1 1 392.415 3.615 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)o1 ZINC000878625327 894452322 /nfs/dbraw/zinc/45/23/22/894452322.db2.gz RGFVIHKPRBCMBF-NRFANRHFSA-N 1 1 392.415 3.615 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000565565200 895727090 /nfs/dbraw/zinc/72/70/90/895727090.db2.gz LWBSZHJCWLJREF-SYNHAJSKSA-N 1 1 386.452 3.640 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000565565200 895727099 /nfs/dbraw/zinc/72/70/99/895727099.db2.gz LWBSZHJCWLJREF-SYNHAJSKSA-N 1 1 386.452 3.640 20 5 GHBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cn2cc[nH+]c12 ZINC000818057646 896036713 /nfs/dbraw/zinc/03/67/13/896036713.db2.gz WRQUUMBRIWIKLT-UHFFFAOYSA-N 1 1 379.420 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2csc(CCc3ccccc3)n2)cc1 ZINC000819140048 896396056 /nfs/dbraw/zinc/39/60/56/896396056.db2.gz ONAYDVQNXFNMMO-LJQANCHMSA-N 1 1 383.473 3.660 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000568010727 897535573 /nfs/dbraw/zinc/53/55/73/897535573.db2.gz QLCZFAAGFRXYCH-HXUWFJFHSA-N 1 1 385.489 3.711 20 5 GHBDMO CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568526497 897912781 /nfs/dbraw/zinc/91/27/81/897912781.db2.gz FEIMFTPLRSEKAB-UHFFFAOYSA-N 1 1 381.432 3.574 20 5 GHBDMO CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568526497 897912783 /nfs/dbraw/zinc/91/27/83/897912783.db2.gz FEIMFTPLRSEKAB-UHFFFAOYSA-N 1 1 381.432 3.574 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000101600172 897947902 /nfs/dbraw/zinc/94/79/02/897947902.db2.gz KGVAZMOGZCZYSE-UHFFFAOYSA-N 1 1 386.326 3.540 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001136465890 897976679 /nfs/dbraw/zinc/97/66/79/897976679.db2.gz YJJRUJQUEHAHQV-AZUAARDMSA-N 1 1 375.513 3.934 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC000822183834 898246161 /nfs/dbraw/zinc/24/61/61/898246161.db2.gz UZSDVCOLAWLLAV-BETUJISGSA-N 1 1 383.439 3.669 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000289544798 914234554 /nfs/dbraw/zinc/23/45/54/914234554.db2.gz DWNMVUVORYXLIJ-DOMZBBRYSA-N 1 1 378.860 3.729 20 5 GHBDMO Cc1nn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000569174527 898390570 /nfs/dbraw/zinc/39/05/70/898390570.db2.gz YMZSSWIKBPAZNK-IBGZPJMESA-N 1 1 380.448 3.544 20 5 GHBDMO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)[NH+]1CCCC1 ZINC000043735252 898865104 /nfs/dbraw/zinc/86/51/04/898865104.db2.gz CWGJNXKTPQVHKT-INIZCTEOSA-N 1 1 389.477 3.540 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)co2)cc1 ZINC000120588785 899849321 /nfs/dbraw/zinc/84/93/21/899849321.db2.gz KIRJWVKNEZFTON-UZLBHIALSA-N 1 1 382.464 3.699 20 5 GHBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000156660101 899938037 /nfs/dbraw/zinc/93/80/37/899938037.db2.gz NBHKLKCMWMYYFV-XLIONFOSSA-N 1 1 397.450 3.861 20 5 GHBDMO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000121109544 899954033 /nfs/dbraw/zinc/95/40/33/899954033.db2.gz BUASMHDIHSPHNP-LLVKDONJSA-N 1 1 382.873 3.596 20 5 GHBDMO CC[N@@H+](CCc1nccs1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000121109544 899954041 /nfs/dbraw/zinc/95/40/41/899954041.db2.gz BUASMHDIHSPHNP-LLVKDONJSA-N 1 1 382.873 3.596 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000572018142 900035354 /nfs/dbraw/zinc/03/53/54/900035354.db2.gz CVNQFDLTNGRIJK-KRWDZBQOSA-N 1 1 397.475 3.730 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)cc1OC ZINC001171087268 900145194 /nfs/dbraw/zinc/14/51/94/900145194.db2.gz OYSXBOOBWBAQDW-QILLFSRXSA-N 1 1 392.496 3.885 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC(C)(C)[C@H]3COC[C@H]32)cc1OC ZINC001171087268 900145200 /nfs/dbraw/zinc/14/52/00/900145200.db2.gz OYSXBOOBWBAQDW-QILLFSRXSA-N 1 1 392.496 3.885 20 5 GHBDMO CNC(=O)c1ccc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000573413694 900505605 /nfs/dbraw/zinc/50/56/05/900505605.db2.gz BHPZPOVWPIZGAG-SFHVURJKSA-N 1 1 396.491 3.669 20 5 GHBDMO C[C@@H]1CC2(C[N@H+]1Cc1cccnc1[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC2 ZINC000886251734 900909961 /nfs/dbraw/zinc/90/99/61/900909961.db2.gz JWOZGHWDFJGLJN-OAHLLOKOSA-N 1 1 390.484 3.601 20 5 GHBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000575150953 901140931 /nfs/dbraw/zinc/14/09/31/901140931.db2.gz UBESPAMAFNQSKY-MRXNPFEDSA-N 1 1 388.493 3.665 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)n1 ZINC000886691654 901229854 /nfs/dbraw/zinc/22/98/54/901229854.db2.gz JXVLEVWNHJTVHC-CQSZACIVSA-N 1 1 399.476 3.864 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)n1 ZINC000886691654 901229876 /nfs/dbraw/zinc/22/98/76/901229876.db2.gz JXVLEVWNHJTVHC-CQSZACIVSA-N 1 1 399.476 3.864 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@H]1CCC[N@H+](CCCO)C1 ZINC001186492575 914578247 /nfs/dbraw/zinc/57/82/47/914578247.db2.gz UXIXYXLCUXYYBO-JTQLQIEISA-N 1 1 381.782 3.526 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000779013162 902807719 /nfs/dbraw/zinc/80/77/19/902807719.db2.gz XGFSAHVNJHTSOP-RDJZCZTQSA-N 1 1 385.439 3.683 20 5 GHBDMO Cn1c2ccccc2cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1=O ZINC000577528370 902851503 /nfs/dbraw/zinc/85/15/03/902851503.db2.gz UUHGCUOWWMETQE-SFHVURJKSA-N 1 1 377.444 3.826 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000132374043 903246960 /nfs/dbraw/zinc/24/69/60/903246960.db2.gz ZQKMEFXBNDYKKV-PXNSSMCTSA-N 1 1 381.476 3.649 20 5 GHBDMO COc1cc(C[N@H+](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000578999093 904284423 /nfs/dbraw/zinc/28/44/23/904284423.db2.gz MOZLNXVAPWTLBI-UHFFFAOYSA-N 1 1 382.363 3.585 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000578999093 904284439 /nfs/dbraw/zinc/28/44/39/904284439.db2.gz MOZLNXVAPWTLBI-UHFFFAOYSA-N 1 1 382.363 3.585 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000801577057 921148155 /nfs/dbraw/zinc/14/81/55/921148155.db2.gz IKLHDIQRSAFZAL-SFHVURJKSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000801577057 921148160 /nfs/dbraw/zinc/14/81/60/921148160.db2.gz IKLHDIQRSAFZAL-SFHVURJKSA-N 1 1 383.876 3.985 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000801600571 921178140 /nfs/dbraw/zinc/17/81/40/921178140.db2.gz QUNZRFFZIUVTAP-UHFFFAOYSA-N 1 1 382.376 3.833 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000801600571 921178143 /nfs/dbraw/zinc/17/81/43/921178143.db2.gz QUNZRFFZIUVTAP-UHFFFAOYSA-N 1 1 382.376 3.833 20 5 GHBDMO Cc1cccnc1N1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172917846 905988698 /nfs/dbraw/zinc/98/86/98/905988698.db2.gz XLTPZYZSHRFYKX-HXUWFJFHSA-N 1 1 380.492 3.758 20 5 GHBDMO COC(=O)[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2ccccc21 ZINC001172920997 905991038 /nfs/dbraw/zinc/99/10/38/905991038.db2.gz NOFSLJHOEPQTGA-RXVVDRJESA-N 1 1 380.444 3.615 20 5 GHBDMO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015441 906091540 /nfs/dbraw/zinc/09/15/40/906091540.db2.gz QJATVBXTMGVHMH-LBPRGKRZSA-N 1 1 399.438 3.504 20 5 GHBDMO CC[N@@H+](Cc1ccncc1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173013899 906092394 /nfs/dbraw/zinc/09/23/94/906092394.db2.gz HGJXLRSMTWNOAP-UHFFFAOYSA-N 1 1 376.407 3.759 20 5 GHBDMO CCC[N@H+](CCCN(C)C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017352 906093648 /nfs/dbraw/zinc/09/36/48/906093648.db2.gz CJKKWAMBGUBUAI-UHFFFAOYSA-N 1 1 384.471 3.506 20 5 GHBDMO CCC[N@@H+](CCCN(C)C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017352 906093665 /nfs/dbraw/zinc/09/36/65/906093665.db2.gz CJKKWAMBGUBUAI-UHFFFAOYSA-N 1 1 384.471 3.506 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)c1F ZINC001173188232 906269023 /nfs/dbraw/zinc/26/90/23/906269023.db2.gz DJSMVXGQHSKATI-MRXNPFEDSA-N 1 1 399.466 3.634 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC3(CC[N@H+]3Cc3ccccc3)C2)c1F ZINC001173188232 906269035 /nfs/dbraw/zinc/26/90/35/906269035.db2.gz DJSMVXGQHSKATI-MRXNPFEDSA-N 1 1 399.466 3.634 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCc3nc(Cl)ccc3C2)c1F ZINC001173187631 906269065 /nfs/dbraw/zinc/26/90/65/906269065.db2.gz BKKLLWANPRGFGN-LLVKDONJSA-N 1 1 379.819 3.780 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001173223829 906305224 /nfs/dbraw/zinc/30/52/24/906305224.db2.gz DBXGSKUZYHPKCU-FOIQADDNSA-N 1 1 385.489 3.716 20 5 GHBDMO Cc1cccc(N2C[C@@]3(CC[N@H+]([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C3)CC2=O)c1 ZINC001173223796 906305917 /nfs/dbraw/zinc/30/59/17/906305917.db2.gz CRPNZWXZOFGVGX-MBSDFSHPSA-N 1 1 393.487 3.963 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001173228765 906312724 /nfs/dbraw/zinc/31/27/24/906312724.db2.gz SHLHSYQBNUDGHF-KSFYIVLOSA-N 1 1 397.450 3.794 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001173229620 906314133 /nfs/dbraw/zinc/31/41/33/906314133.db2.gz XYNTVRDZNYCQEN-NQSCKRDGSA-N 1 1 397.475 3.623 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001173231093 906316352 /nfs/dbraw/zinc/31/63/52/906316352.db2.gz JNBOEMUZXHFWJY-WBVHZDCISA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001173231853 906317888 /nfs/dbraw/zinc/31/78/88/906317888.db2.gz DIKCPQHKDZQLLK-OAHLLOKOSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001173231853 906317897 /nfs/dbraw/zinc/31/78/97/906317897.db2.gz DIKCPQHKDZQLLK-OAHLLOKOSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001173238439 906350440 /nfs/dbraw/zinc/35/04/40/906350440.db2.gz SOFZQCHPHFQHBZ-MGPUTAFESA-N 1 1 377.485 3.763 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000008120789 921245921 /nfs/dbraw/zinc/24/59/21/921245921.db2.gz FHIBVAHCWOSQDB-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000008120789 921245925 /nfs/dbraw/zinc/24/59/25/921245925.db2.gz FHIBVAHCWOSQDB-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181664166 907051413 /nfs/dbraw/zinc/05/14/13/907051413.db2.gz QHGICEZUFAIOBV-LSDHHAIUSA-N 1 1 382.464 3.526 20 5 GHBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181667174 907052067 /nfs/dbraw/zinc/05/20/67/907052067.db2.gz DMUHQZITSGMVDM-ZFWWWQNUSA-N 1 1 379.888 3.560 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001175268920 907479543 /nfs/dbraw/zinc/47/95/43/907479543.db2.gz VERWOXFEQYCPBA-MRXNPFEDSA-N 1 1 393.484 3.873 20 5 GHBDMO COc1ccc(C[N@H+]2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001175268920 907479550 /nfs/dbraw/zinc/47/95/50/907479550.db2.gz VERWOXFEQYCPBA-MRXNPFEDSA-N 1 1 393.484 3.873 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001175312323 907495796 /nfs/dbraw/zinc/49/57/96/907495796.db2.gz PDMQALXFAOPVGD-WLWJZTKJSA-N 1 1 395.459 3.666 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])cc1F ZINC000184306189 907557635 /nfs/dbraw/zinc/55/76/35/907557635.db2.gz GNMYMVVCRBVSKR-LBPRGKRZSA-N 1 1 389.383 3.550 20 5 GHBDMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185713421 907820542 /nfs/dbraw/zinc/82/05/42/907820542.db2.gz BGLFRZKLKONXNL-YQQAZPJKSA-N 1 1 399.495 3.948 20 5 GHBDMO C[C@@H](N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185713476 907820935 /nfs/dbraw/zinc/82/09/35/907820935.db2.gz BGLFRZKLKONXNL-BFYDXBDKSA-N 1 1 399.495 3.948 20 5 GHBDMO CC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176959699 908328670 /nfs/dbraw/zinc/32/86/70/908328670.db2.gz OFYCSPOCZNZAIF-CXAGYDPISA-N 1 1 375.494 3.732 20 5 GHBDMO CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176959699 908328683 /nfs/dbraw/zinc/32/86/83/908328683.db2.gz OFYCSPOCZNZAIF-CXAGYDPISA-N 1 1 375.494 3.732 20 5 GHBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001177038997 908376458 /nfs/dbraw/zinc/37/64/58/908376458.db2.gz OYDPVTZUHLTQNL-QGZVFWFLSA-N 1 1 393.484 3.695 20 5 GHBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)CC1 ZINC000193524451 908489704 /nfs/dbraw/zinc/48/97/04/908489704.db2.gz CZTOIKZDOMMKHZ-UHFFFAOYSA-N 1 1 388.855 3.642 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001177349288 908546581 /nfs/dbraw/zinc/54/65/81/908546581.db2.gz KZCBNUQGZKKDIP-UHFFFAOYSA-N 1 1 398.507 3.743 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H]3/C=C/c3ccccc3)n2)cc1 ZINC000779890405 909062375 /nfs/dbraw/zinc/06/23/75/909062375.db2.gz WMYNGKYLKSFBRN-BLRBJFNZSA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@H]3/C=C/c3ccccc3)n2)cc1 ZINC000779890405 909062395 /nfs/dbraw/zinc/06/23/95/909062395.db2.gz WMYNGKYLKSFBRN-BLRBJFNZSA-N 1 1 375.432 3.989 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000266541468 909211665 /nfs/dbraw/zinc/21/16/65/909211665.db2.gz MMIINSCLGQHZAC-SFHVURJKSA-N 1 1 397.475 3.588 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000246367799 910263977 /nfs/dbraw/zinc/26/39/77/910263977.db2.gz LNGCLSXCDWTRMQ-LSDHHAIUSA-N 1 1 379.888 3.975 20 5 GHBDMO COc1cccc(C(=O)O[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000774187679 911473167 /nfs/dbraw/zinc/47/31/67/911473167.db2.gz GJZFWWXQBNDVAO-RDJZCZTQSA-N 1 1 384.432 3.671 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)ccc1Cl ZINC000801972121 921712886 /nfs/dbraw/zinc/71/28/86/921712886.db2.gz GTMJKNYSPDYYPG-UHFFFAOYSA-N 1 1 383.839 3.994 20 5 GHBDMO CC(C)Oc1nc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001187654647 915455267 /nfs/dbraw/zinc/45/52/67/915455267.db2.gz MFSCFUSXVLXLHD-MOPGFXCFSA-N 1 1 396.491 3.735 20 5 GHBDMO Cc1cc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nc(N2CCCC2)n1 ZINC000292745447 915824562 /nfs/dbraw/zinc/82/45/62/915824562.db2.gz HWRBFTNJVZOHGE-UHFFFAOYSA-N 1 1 393.447 3.843 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293525771 916246564 /nfs/dbraw/zinc/24/65/64/916246564.db2.gz PCNAMJWXCWLXTO-CYBMUJFWSA-N 1 1 387.402 3.998 20 5 GHBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000775204567 916254797 /nfs/dbraw/zinc/25/47/97/916254797.db2.gz PAUZNEZYRJDDKU-WIYYLYMNSA-N 1 1 379.500 3.839 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295128894 917159701 /nfs/dbraw/zinc/15/97/01/917159701.db2.gz KSWAGNLUHCVCIA-JXFKEZNVSA-N 1 1 384.480 3.594 20 5 GHBDMO C[C@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@H+](C2CC2)C1 ZINC000295477419 917322915 /nfs/dbraw/zinc/32/29/15/917322915.db2.gz YTZROQXXBIXUDF-OAHLLOKOSA-N 1 1 375.472 3.650 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC001190417459 917323890 /nfs/dbraw/zinc/32/38/90/917323890.db2.gz IVEHHDUKOGZFCA-AWEZNQCLSA-N 1 1 391.855 3.976 20 5 GHBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001191474264 918010074 /nfs/dbraw/zinc/01/00/74/918010074.db2.gz ICIAAAWMOFITEG-HGHGUNKESA-N 1 1 379.460 3.653 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC001191822688 918246538 /nfs/dbraw/zinc/24/65/38/918246538.db2.gz YBPQNFGOEYGNNN-MSOLQXFVSA-N 1 1 377.485 3.839 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC001191822689 918247220 /nfs/dbraw/zinc/24/72/20/918247220.db2.gz YBPQNFGOEYGNNN-QZTJIDSGSA-N 1 1 377.485 3.839 20 5 GHBDMO CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000800466838 920137520 /nfs/dbraw/zinc/13/75/20/920137520.db2.gz IDQNHOQGUIZOOD-JXFKEZNVSA-N 1 1 385.464 3.758 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000900800212 920621277 /nfs/dbraw/zinc/62/12/77/920621277.db2.gz MNYKEZIWASZSLV-VHSXEESVSA-N 1 1 392.258 3.986 20 5 GHBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000803121770 922713511 /nfs/dbraw/zinc/71/35/11/922713511.db2.gz LDMNTTLQOQGVCR-UHFFFAOYSA-N 1 1 397.878 3.724 20 5 GHBDMO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000369255257 923235071 /nfs/dbraw/zinc/23/50/71/923235071.db2.gz VXDDRMBXTQZIER-LJQANCHMSA-N 1 1 377.460 3.737 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCN(c2cnccn2)CC1 ZINC000369489813 923373003 /nfs/dbraw/zinc/37/30/03/923373003.db2.gz KBWUXPQQHZAAKY-UHFFFAOYSA-N 1 1 393.447 3.746 20 5 GHBDMO COc1ccc(NC(=O)CC[NH+](Cc2ccco2)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000411117703 926099029 /nfs/dbraw/zinc/09/90/29/926099029.db2.gz CFQIBNIGNPSBAY-UHFFFAOYSA-N 1 1 399.403 3.820 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)c1 ZINC000749675425 927230531 /nfs/dbraw/zinc/23/05/31/927230531.db2.gz ZCHUFKOKCBFUHD-MJGOQNOKSA-N 1 1 376.840 3.825 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000412240502 927247025 /nfs/dbraw/zinc/24/70/25/927247025.db2.gz AIGHHEFWRHLULU-UHVFKWDWSA-N 1 1 393.487 3.725 20 5 GHBDMO Cc1nn(C[NH+]2CCC(OCC3CCCCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749957796 927371902 /nfs/dbraw/zinc/37/19/02/927371902.db2.gz CFHSMXDIVYUOAU-UHFFFAOYSA-N 1 1 387.484 3.667 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000750282382 927533492 /nfs/dbraw/zinc/53/34/92/927533492.db2.gz FXYJNNBNDRKVEF-INIZCTEOSA-N 1 1 393.484 3.553 20 5 GHBDMO CCC[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCc2ccccc21 ZINC000750602192 927743669 /nfs/dbraw/zinc/74/36/69/927743669.db2.gz JKNSQHKAIPAXPI-KRWDZBQOSA-N 1 1 379.416 3.548 20 5 GHBDMO CCC[N@@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCc2ccccc21 ZINC000750602192 927743671 /nfs/dbraw/zinc/74/36/71/927743671.db2.gz JKNSQHKAIPAXPI-KRWDZBQOSA-N 1 1 379.416 3.548 20 5 GHBDMO C/C(=C\C(=O)NCc1ccccc1-n1cc[nH+]c1C)c1ccc([N+](=O)[O-])cc1 ZINC000751536192 928237652 /nfs/dbraw/zinc/23/76/52/928237652.db2.gz CZNQHFRTUDARGZ-FYWRMAATSA-N 1 1 376.416 3.809 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(c4ccc(F)cc4)CC3)n2)c1 ZINC000751958201 928510129 /nfs/dbraw/zinc/51/01/29/928510129.db2.gz BPKGKCDUHXSEMB-UHFFFAOYSA-N 1 1 381.411 3.830 20 5 GHBDMO Cc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000544523031 929257980 /nfs/dbraw/zinc/25/79/80/929257980.db2.gz VYYYHLWMPMPCOO-UHFFFAOYSA-N 1 1 388.493 3.812 20 5 GHBDMO COc1c(C)c[nH+]c(CN(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1C ZINC000544598478 929325334 /nfs/dbraw/zinc/32/53/34/929325334.db2.gz WAQIGJFVAOQDFS-UHFFFAOYSA-N 1 1 381.379 3.849 20 5 GHBDMO O=C(CC[N@@H+](CCc1cccc(F)c1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000753921660 929593098 /nfs/dbraw/zinc/59/30/98/929593098.db2.gz SUOZBCCZSMNHFQ-UHFFFAOYSA-N 1 1 389.402 3.909 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000757167659 929668360 /nfs/dbraw/zinc/66/83/60/929668360.db2.gz IEWUSNJLWOIJJT-CYBMUJFWSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000757167659 929668368 /nfs/dbraw/zinc/66/83/68/929668368.db2.gz IEWUSNJLWOIJJT-CYBMUJFWSA-N 1 1 397.258 3.700 20 5 GHBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000758264459 929994269 /nfs/dbraw/zinc/99/42/69/929994269.db2.gz HNBTUGNKANYHDT-YLJYHZDGSA-N 1 1 384.411 3.893 20 5 GHBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@H]1C ZINC000470156771 930415587 /nfs/dbraw/zinc/41/55/87/930415587.db2.gz RMAAWOKHZBMDDL-GUYCJALGSA-N 1 1 388.395 3.910 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000470175523 930431424 /nfs/dbraw/zinc/43/14/24/930431424.db2.gz ZJFRPEOBJXJECW-NLBZTSMMSA-N 1 1 383.423 3.875 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000470175523 930431425 /nfs/dbraw/zinc/43/14/25/930431425.db2.gz ZJFRPEOBJXJECW-NLBZTSMMSA-N 1 1 383.423 3.875 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000470175520 930431521 /nfs/dbraw/zinc/43/15/21/930431521.db2.gz ZJFRPEOBJXJECW-IURSYISVSA-N 1 1 383.423 3.875 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000470175520 930431523 /nfs/dbraw/zinc/43/15/23/930431523.db2.gz ZJFRPEOBJXJECW-IURSYISVSA-N 1 1 383.423 3.875 20 5 GHBDMO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000782479765 931236905 /nfs/dbraw/zinc/23/69/05/931236905.db2.gz QJCICZPMZHTLAB-UHFFFAOYSA-N 1 1 383.876 3.985 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000557166280 931243327 /nfs/dbraw/zinc/24/33/27/931243327.db2.gz YBJDKODPYGJUMO-OAHLLOKOSA-N 1 1 391.493 3.649 20 5 GHBDMO CCOc1cc(NC2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)ncn1 ZINC000783677215 931615506 /nfs/dbraw/zinc/61/55/06/931615506.db2.gz XKEUJHSXAGVKJZ-UHFFFAOYSA-N 1 1 391.859 3.513 20 5 GHBDMO C/C(=C\C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784055601 931768223 /nfs/dbraw/zinc/76/82/23/931768223.db2.gz KKASNZKTNWJSRY-GJPUVDBCSA-N 1 1 393.487 3.979 20 5 GHBDMO C/C(=C\C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000784142762 931796847 /nfs/dbraw/zinc/79/68/47/931796847.db2.gz KOIAXZPSILTJIU-JLHYYAGUSA-N 1 1 386.477 3.860 20 5 GHBDMO C/C(=C\C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000784142762 931796854 /nfs/dbraw/zinc/79/68/54/931796854.db2.gz KOIAXZPSILTJIU-JLHYYAGUSA-N 1 1 386.477 3.860 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCN1c1cccc(Cl)c1 ZINC000784576702 931945328 /nfs/dbraw/zinc/94/53/28/931945328.db2.gz ACOQDEUYHOGQEY-INIZCTEOSA-N 1 1 380.231 3.797 20 5 GHBDMO Cc1c(C[NH2+][C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000796964513 932125868 /nfs/dbraw/zinc/12/58/68/932125868.db2.gz GAGOADZYNRXCDC-AWEZNQCLSA-N 1 1 386.452 3.918 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000797519166 932317778 /nfs/dbraw/zinc/31/77/78/932317778.db2.gz XHKSUBVMURXQIP-WMLDXEAASA-N 1 1 393.484 3.729 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000926906453 932343937 /nfs/dbraw/zinc/34/39/37/932343937.db2.gz VXZWGRKFWKLCEW-BZUAXINKSA-N 1 1 398.385 3.507 20 5 GHBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-n2cccn2)c(F)c1 ZINC000559308410 932589958 /nfs/dbraw/zinc/58/99/58/932589958.db2.gz XBDKMBQKECNWQS-GFCCVEGCSA-N 1 1 381.367 3.912 20 5 GHBDMO COc1cc(CN2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000798957533 932839894 /nfs/dbraw/zinc/83/98/94/932839894.db2.gz ZPDAEQRTBRMPCC-UHFFFAOYSA-N 1 1 399.438 3.513 20 5 GHBDMO Cc1ccc(Sc2ccc(C[NH2+]CC(=O)NCC(C)C)cc2[N+](=O)[O-])cc1 ZINC001116030786 933294494 /nfs/dbraw/zinc/29/44/94/933294494.db2.gz BXMQYFXASHVXBS-UHFFFAOYSA-N 1 1 387.505 3.916 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCC1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000560536017 933320576 /nfs/dbraw/zinc/32/05/76/933320576.db2.gz KWYJWGSKUCTXPH-NRFANRHFSA-N 1 1 376.460 3.812 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000560543015 933330361 /nfs/dbraw/zinc/33/03/61/933330361.db2.gz VAQINRWYOZWZPA-VBKFSLOCSA-N 1 1 375.432 3.637 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000560543015 933330372 /nfs/dbraw/zinc/33/03/72/933330372.db2.gz VAQINRWYOZWZPA-VBKFSLOCSA-N 1 1 375.432 3.637 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001116666932 933693698 /nfs/dbraw/zinc/69/36/98/933693698.db2.gz YVAYVUNDSXJSNR-DOTOQJQBSA-N 1 1 389.452 3.631 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001116666932 933693706 /nfs/dbraw/zinc/69/37/06/933693706.db2.gz YVAYVUNDSXJSNR-DOTOQJQBSA-N 1 1 389.452 3.631 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000560992983 933760984 /nfs/dbraw/zinc/76/09/84/933760984.db2.gz IXBNIMOCOWYNJT-GOSISDBHSA-N 1 1 375.856 3.552 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[N@@H+](CC3CCCCC3)CC2)s1 ZINC000561123218 933887292 /nfs/dbraw/zinc/88/72/92/933887292.db2.gz ZCBHGHDEJXHCDA-UHFFFAOYSA-N 1 1 375.498 3.692 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000931748731 934706297 /nfs/dbraw/zinc/70/62/97/934706297.db2.gz CSHOVUSGPOWIHX-LBPRGKRZSA-N 1 1 377.242 3.527 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000931748731 934706301 /nfs/dbraw/zinc/70/63/01/934706301.db2.gz CSHOVUSGPOWIHX-LBPRGKRZSA-N 1 1 377.242 3.527 20 5 GHBDMO COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC001123372627 935172835 /nfs/dbraw/zinc/17/28/35/935172835.db2.gz XQHXTOHVAMSNHG-HNNXBMFYSA-N 1 1 376.457 3.522 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[NH+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000828807473 935715734 /nfs/dbraw/zinc/71/57/34/935715734.db2.gz NRWGYMWPGBOJRM-IYARVYRRSA-N 1 1 385.420 3.809 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)c1ccc(F)cc1)[C@H]1CC[C@H](O)CC1 ZINC000828807027 935716176 /nfs/dbraw/zinc/71/61/76/935716176.db2.gz IHPSZRMIIOIHSX-SFHLNBCPSA-N 1 1 388.439 3.573 20 5 GHBDMO CCOc1cc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001625998848 1014669011 /nfs/dbraw/zinc/66/90/11/1014669011.db2.gz KKFKJZUEEPALEQ-AWEZNQCLSA-N 1 1 378.473 3.626 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001626012212 1014771836 /nfs/dbraw/zinc/77/18/36/1014771836.db2.gz YLHGEYZSKRUKIW-GDBMZVCRSA-N 1 1 397.903 3.786 20 5 GHBDMO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000545149238 1015586423 /nfs/dbraw/zinc/58/64/23/1015586423.db2.gz ORZYGABOWDLWEA-QGZVFWFLSA-N 1 1 399.466 3.792 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001226804982 1032135929 /nfs/dbraw/zinc/13/59/29/1032135929.db2.gz UZMVEWKJKSDUFB-JLTOFOAXSA-N 1 1 396.422 3.967 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000470173541 1016742558 /nfs/dbraw/zinc/74/25/58/1016742558.db2.gz CKIRYAQGKABMMR-JXAWBTAJSA-N 1 1 381.476 3.967 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000470614254 1016839675 /nfs/dbraw/zinc/83/96/75/1016839675.db2.gz QBZBUDZPOHUQMG-OAHLLOKOSA-N 1 1 393.447 3.692 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094434 1032267856 /nfs/dbraw/zinc/26/78/56/1032267856.db2.gz AZELEEWCSJTAPR-LIRRHRJNSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094434 1032267864 /nfs/dbraw/zinc/26/78/64/1032267864.db2.gz AZELEEWCSJTAPR-LIRRHRJNSA-N 1 1 394.431 3.533 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001227123440 1032279630 /nfs/dbraw/zinc/27/96/30/1032279630.db2.gz CGKDMDYYZWYYLU-BCDXTJNWSA-N 1 1 396.443 3.956 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001227299405 1032361156 /nfs/dbraw/zinc/36/11/56/1032361156.db2.gz ZICLHLWSXXEZEV-NLWGTHIKSA-N 1 1 396.443 3.671 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)C1 ZINC001227366153 1032390568 /nfs/dbraw/zinc/39/05/68/1032390568.db2.gz KRYYJFDSIOIKCO-CHWSQXEVSA-N 1 1 399.838 3.801 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c([N+](=O)[O-])c1 ZINC001227468404 1032431896 /nfs/dbraw/zinc/43/18/96/1032431896.db2.gz YMBOSQLECVSCME-HHXXYDBFSA-N 1 1 383.404 3.792 20 5 GHBDMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001221541867 1032456009 /nfs/dbraw/zinc/45/60/09/1032456009.db2.gz JEWGGOAYPHIEQK-MJGOQNOKSA-N 1 1 396.491 3.867 20 5 GHBDMO COc1cc(O[C@H]2CCC[N@H+](C(C)C)C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001227645185 1032499945 /nfs/dbraw/zinc/49/99/45/1032499945.db2.gz FPLUGRCHTCZPAV-ZDUSSCGKSA-N 1 1 399.443 3.618 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000560531407 1017654557 /nfs/dbraw/zinc/65/45/57/1017654557.db2.gz YCWBWWFKIMSQRT-QFBILLFUSA-N 1 1 385.512 3.518 20 5 GHBDMO O=C(N1C[C@@H]2CCC[N@H+]2Cc2ccccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777946368 1017904121 /nfs/dbraw/zinc/90/41/21/1017904121.db2.gz HTZWOHURSIZOLP-KRWDZBQOSA-N 1 1 387.386 3.698 20 5 GHBDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000562491763 1018219049 /nfs/dbraw/zinc/21/90/49/1018219049.db2.gz NEXCRHQLAVRHOJ-MRXNPFEDSA-N 1 1 383.448 3.764 20 5 GHBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001155877327 1032758260 /nfs/dbraw/zinc/75/82/60/1032758260.db2.gz ITLCSNWFFSYOLO-UHFFFAOYSA-N 1 1 388.493 3.570 20 5 GHBDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000246418658 1021060140 /nfs/dbraw/zinc/06/01/40/1021060140.db2.gz HVKLDSLGMOPBNA-FUHWJXTLSA-N 1 1 396.491 3.611 20 5 GHBDMO Cc1[nH]c(=O)cc(OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)c1[N+](=O)[O-] ZINC001228686603 1033045137 /nfs/dbraw/zinc/04/51/37/1033045137.db2.gz PAXQJPUYFAXUAV-UHFFFAOYSA-N 1 1 391.427 3.856 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000754361278 1022640579 /nfs/dbraw/zinc/64/05/79/1022640579.db2.gz RONJLENIJYDQNG-JIHAQRTOSA-N 1 1 379.460 3.731 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000755005400 1023013965 /nfs/dbraw/zinc/01/39/65/1023013965.db2.gz PYUNLACEHWYMGG-INIZCTEOSA-N 1 1 393.484 3.682 20 5 GHBDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000755162542 1023102378 /nfs/dbraw/zinc/10/23/78/1023102378.db2.gz JWZAJKPMPIRXRF-FZKQIMNGSA-N 1 1 382.420 3.591 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1Cl ZINC000836740293 1023328477 /nfs/dbraw/zinc/32/84/77/1023328477.db2.gz LYORDGBOMNSBAV-UHFFFAOYSA-N 1 1 379.819 3.558 20 5 GHBDMO CC(=O)c1ccc2c(c1)CC[N@@H+](Cn1nc(C)c3cc([N+](=O)[O-])ccc31)CC2 ZINC000755774784 1023371571 /nfs/dbraw/zinc/37/15/71/1023371571.db2.gz VFDSMNHILCAKNB-UHFFFAOYSA-N 1 1 378.432 3.514 20 5 GHBDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cn1nc(C)c3cc([N+](=O)[O-])ccc31)CC2 ZINC000755774784 1023371572 /nfs/dbraw/zinc/37/15/72/1023371572.db2.gz VFDSMNHILCAKNB-UHFFFAOYSA-N 1 1 378.432 3.514 20 5 GHBDMO COc1cc(C(=O)O[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000755877750 1023416907 /nfs/dbraw/zinc/41/69/07/1023416907.db2.gz ZEEIDCXYNLKDGS-MAUKXSAKSA-N 1 1 384.432 3.671 20 5 GHBDMO [NH3+][C@@H](Cc1cccc(O)c1)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001205004520 1033202375 /nfs/dbraw/zinc/20/23/75/1033202375.db2.gz GRGMJCRHTSXDFI-KRWDZBQOSA-N 1 1 383.411 3.781 20 5 GHBDMO C[N@@H+](CCOc1ccc(Br)cc1)CCc1ccc([N+](=O)[O-])cc1 ZINC001205016281 1033209540 /nfs/dbraw/zinc/20/95/40/1033209540.db2.gz PJRSDVTZGMWTFR-UHFFFAOYSA-N 1 1 379.254 3.911 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)c1 ZINC000831594556 1024670535 /nfs/dbraw/zinc/67/05/35/1024670535.db2.gz VTSHKEUBURJETL-YJBOKZPZSA-N 1 1 391.265 3.880 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001229055983 1033253660 /nfs/dbraw/zinc/25/36/60/1033253660.db2.gz IZYFAXLEKCPWTL-MGPUTAFESA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1ccnc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC001162139938 1025626977 /nfs/dbraw/zinc/62/69/77/1025626977.db2.gz HJXPCJWZBDFLJK-OAHLLOKOSA-N 1 1 398.463 3.620 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839136964 1025631819 /nfs/dbraw/zinc/63/18/19/1025631819.db2.gz VLRQDZHXZYVHKB-WBVHZDCISA-N 1 1 393.484 3.580 20 5 GHBDMO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1ccc2c(c1)OCO2 ZINC000839536568 1026027331 /nfs/dbraw/zinc/02/73/31/1026027331.db2.gz RPKRFXQSGSDYOR-SNVBAGLBSA-N 1 1 379.210 3.937 20 5 GHBDMO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001461053969 1069364220 /nfs/dbraw/zinc/36/42/20/1069364220.db2.gz PXKUBHANQGCSNF-NQIIRXRSSA-N 1 1 393.487 3.605 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001163657433 1026269136 /nfs/dbraw/zinc/26/91/36/1026269136.db2.gz YZLZCWRYDIMAFB-UXHICEINSA-N 1 1 387.867 3.728 20 5 GHBDMO Cc1[nH+]ccn1CCNc1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001163928309 1026363621 /nfs/dbraw/zinc/36/36/21/1026363621.db2.gz FQWVWVAUVSWQRG-UHFFFAOYSA-N 1 1 376.214 3.523 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001165183861 1026652881 /nfs/dbraw/zinc/65/28/81/1026652881.db2.gz SSPVSMFRIBAXOD-HNAYVOBHSA-N 1 1 379.464 3.818 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001165202834 1026665288 /nfs/dbraw/zinc/66/52/88/1026665288.db2.gz PMWMATQOMHJDQG-HOTGVXAUSA-N 1 1 377.448 3.637 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)cc1Cl ZINC001461340598 1069508003 /nfs/dbraw/zinc/50/80/03/1069508003.db2.gz FNEDAGXRUVWMKD-INIZCTEOSA-N 1 1 387.867 3.556 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)cc1Cl ZINC001461340598 1069508012 /nfs/dbraw/zinc/50/80/12/1069508012.db2.gz FNEDAGXRUVWMKD-INIZCTEOSA-N 1 1 387.867 3.556 20 5 GHBDMO Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC001216490299 1029660336 /nfs/dbraw/zinc/66/03/36/1029660336.db2.gz OXPPUGIXROGAFM-UHFFFAOYSA-N 1 1 389.371 3.700 20 5 GHBDMO COc1cc(-c2noc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])n2)ccc1F ZINC001216548582 1029681765 /nfs/dbraw/zinc/68/17/65/1029681765.db2.gz JCNCFBJEOVDUQW-UHFFFAOYSA-N 1 1 395.350 3.954 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Br ZINC000843127006 1029817875 /nfs/dbraw/zinc/81/78/75/1029817875.db2.gz NVOORRHTPRWNJW-HUUCEWRRSA-N 1 1 382.302 3.569 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001150138695 1030422749 /nfs/dbraw/zinc/42/27/49/1030422749.db2.gz BMNAUOWAUYZICS-DNVCBOLYSA-N 1 1 399.516 3.957 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223488520 1030600512 /nfs/dbraw/zinc/60/05/12/1030600512.db2.gz AOTQFCFBEUMENC-KDOFPFPSSA-N 1 1 386.408 3.640 20 5 GHBDMO COC(=O)[C@H](O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001223648077 1030681864 /nfs/dbraw/zinc/68/18/64/1030681864.db2.gz LWQHFIVEAYPOBS-ORYQWCPZSA-N 1 1 398.459 3.736 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@H](C)C1C[NH2+]C1 ZINC001218198320 1030819521 /nfs/dbraw/zinc/81/95/21/1030819521.db2.gz HIHJUCDSZCXMBO-CYBMUJFWSA-N 1 1 395.455 3.853 20 5 GHBDMO CCOC(=O)c1ccc(COC2CCN(c3ccc(C)c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC001223961007 1030829663 /nfs/dbraw/zinc/82/96/63/1030829663.db2.gz PZRKSVUMLUDNDA-UHFFFAOYSA-N 1 1 399.447 3.661 20 5 GHBDMO CCOC(=O)c1ccc(CO[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)c([N+](=O)[O-])c1 ZINC001223960949 1030831018 /nfs/dbraw/zinc/83/10/18/1030831018.db2.gz PCZFVALJHGXLNG-GOSISDBHSA-N 1 1 399.447 3.661 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001225449632 1031420386 /nfs/dbraw/zinc/42/03/86/1031420386.db2.gz XFWZXIDXTYNCOC-FOIQADDNSA-N 1 1 384.432 3.671 20 5 GHBDMO O=C(Nc1ccnn1-c1cc[nH+]cc1)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153417627 1031580369 /nfs/dbraw/zinc/58/03/69/1031580369.db2.gz DAPOFTJMFHWZMY-UHFFFAOYSA-N 1 1 382.379 3.779 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3cc([N+](=O)[O-])c(F)cc3F)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001226181359 1031835837 /nfs/dbraw/zinc/83/58/37/1031835837.db2.gz OXGRGMIKFGHYSF-CYFNAFFESA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3cc([N+](=O)[O-])c(F)cc3F)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001226181359 1031835860 /nfs/dbraw/zinc/83/58/60/1031835860.db2.gz OXGRGMIKFGHYSF-CYFNAFFESA-N 1 1 388.370 3.626 20 5 GHBDMO C[N@H+]1C[C@@H]2CC[C@H](NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C1 ZINC001461831317 1069777442 /nfs/dbraw/zinc/77/74/42/1069777442.db2.gz PNLBIKDOXJDOID-ZLIFDBKOSA-N 1 1 375.856 3.938 20 5 GHBDMO CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001229246497 1033365867 /nfs/dbraw/zinc/36/58/67/1033365867.db2.gz IAOCZCCNEQOCOK-GFCCVEGCSA-N 1 1 385.258 3.813 20 5 GHBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C ZINC001205475445 1033430465 /nfs/dbraw/zinc/43/04/65/1033430465.db2.gz NKZUIOJJOUFIOB-ZDUSSCGKSA-N 1 1 387.427 3.666 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229400974 1033457960 /nfs/dbraw/zinc/45/79/60/1033457960.db2.gz BQWGFZZXACXYBG-ZBFHGGJFSA-N 1 1 379.420 3.537 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001229402228 1033459781 /nfs/dbraw/zinc/45/97/81/1033459781.db2.gz ISIMBBUHCKKKCB-LKUPVBHCSA-N 1 1 390.443 3.827 20 5 GHBDMO O=[N+]([O-])c1ncc(Br)cc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001229559986 1033556599 /nfs/dbraw/zinc/55/65/99/1033556599.db2.gz LXDMUPOXNWDNKU-OAHLLOKOSA-N 1 1 392.253 3.796 20 5 GHBDMO C[C@@H]1C[C@H](Oc2nc3ccc(NC(=O)C[NH+](C)C)cc3c3ccccc32)CCO1 ZINC001229808919 1033732880 /nfs/dbraw/zinc/73/28/80/1033732880.db2.gz VTTLVVSQXXHRRR-NVXWUHKLSA-N 1 1 393.487 3.834 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cccc(Br)c2[N+](=O)[O-])C1 ZINC001230326584 1033998621 /nfs/dbraw/zinc/99/86/21/1033998621.db2.gz PNTUJLZTFLMEPR-CHWSQXEVSA-N 1 1 392.253 3.967 20 5 GHBDMO CC[N@H+]1CCC[C@H](Oc2cc(OC)cc3oc4ccc(OC)c(O)c4c(=O)c23)C1 ZINC001230526417 1034103218 /nfs/dbraw/zinc/10/32/18/1034103218.db2.gz XQMMAPJWDRMYIZ-ZDUSSCGKSA-N 1 1 399.443 3.532 20 5 GHBDMO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001230602266 1034142841 /nfs/dbraw/zinc/14/28/41/1034142841.db2.gz YHUNWDAVJOJXKW-WRWLIDTKSA-N 1 1 378.432 3.761 20 5 GHBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001230602266 1034142844 /nfs/dbraw/zinc/14/28/44/1034142844.db2.gz YHUNWDAVJOJXKW-WRWLIDTKSA-N 1 1 378.432 3.761 20 5 GHBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001230602266 1034142847 /nfs/dbraw/zinc/14/28/47/1034142847.db2.gz YHUNWDAVJOJXKW-WRWLIDTKSA-N 1 1 378.432 3.761 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(O[C@H]3CCC[N@@H+](Cc4ccccc4F)C3)c21 ZINC001231054410 1034367973 /nfs/dbraw/zinc/36/79/73/1034367973.db2.gz AMXVROALPZYKRU-HNNXBMFYSA-N 1 1 382.395 3.721 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(O[C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)c21 ZINC001231056027 1034368049 /nfs/dbraw/zinc/36/80/49/1034368049.db2.gz OUDRVRNHJGIXOJ-OAHLLOKOSA-N 1 1 384.823 3.845 20 5 GHBDMO CC(C)(C)OC(=O)N1CC2(C1)C[NH+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232219733 1035168149 /nfs/dbraw/zinc/16/81/49/1035168149.db2.gz ZLHJXXZNHAZYGP-UHFFFAOYSA-N 1 1 390.487 3.836 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232221417 1035169276 /nfs/dbraw/zinc/16/92/76/1035169276.db2.gz YKVBZYVVGIPFRZ-WGMWDUQUSA-N 1 1 390.487 3.738 20 5 GHBDMO c1cncc(C[N@@H+]2CCC3(CN(Cc4ccc5ccc6cccnc6c5n4)C3)C2)c1 ZINC001232221410 1035169306 /nfs/dbraw/zinc/16/93/06/1035169306.db2.gz YEYFGKNURDGUFE-UHFFFAOYSA-N 1 1 395.510 3.886 20 5 GHBDMO c1cncc(CN2CCC3(C[NH+](Cc4ccc5ccc6cccnc6c5n4)C3)C2)c1 ZINC001232221410 1035169309 /nfs/dbraw/zinc/16/93/09/1035169309.db2.gz YEYFGKNURDGUFE-UHFFFAOYSA-N 1 1 395.510 3.886 20 5 GHBDMO CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232223115 1035171040 /nfs/dbraw/zinc/17/10/40/1035171040.db2.gz KFRXCHVQGZGMIP-JOCHJYFZSA-N 1 1 390.531 3.858 20 5 GHBDMO Cc1cncnc1O[C@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232225515 1035172292 /nfs/dbraw/zinc/17/22/92/1035172292.db2.gz CYYWKFIXFBBAAP-FQEVSTJZSA-N 1 1 385.471 3.925 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2OC(F)(F)F)no1 ZINC001248207250 1035637814 /nfs/dbraw/zinc/63/78/14/1035637814.db2.gz CAMIDSJRZHAWCP-CYBMUJFWSA-N 1 1 394.309 3.786 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001248210471 1035642792 /nfs/dbraw/zinc/64/27/92/1035642792.db2.gz PYCNAAYKFBCEEU-AWEZNQCLSA-N 1 1 378.310 3.906 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCN[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001246810337 1037645762 /nfs/dbraw/zinc/64/57/62/1037645762.db2.gz KNFXOHKMUYEING-KUHUBIRLSA-N 1 1 389.883 3.834 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCN[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001246810337 1037645768 /nfs/dbraw/zinc/64/57/68/1037645768.db2.gz KNFXOHKMUYEING-KUHUBIRLSA-N 1 1 389.883 3.834 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N(Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1)C2 ZINC001246959718 1037778028 /nfs/dbraw/zinc/77/80/28/1037778028.db2.gz XULKGOBWZCYMFO-LJQANCHMSA-N 1 1 387.430 3.594 20 5 GHBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001248067476 1038564783 /nfs/dbraw/zinc/56/47/83/1038564783.db2.gz KYXHRFWEVFOXHD-CQSZACIVSA-N 1 1 383.383 3.559 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC001233599387 1039471445 /nfs/dbraw/zinc/47/14/45/1039471445.db2.gz JHYXDYRNNFQHKE-HNNXBMFYSA-N 1 1 378.375 3.543 20 5 GHBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc31)C2 ZINC001233903685 1039695110 /nfs/dbraw/zinc/69/51/10/1039695110.db2.gz DXZNPJYXGJLMIQ-WDNDVIMCSA-N 1 1 386.408 3.834 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001254552298 1040320905 /nfs/dbraw/zinc/32/09/05/1040320905.db2.gz KCGKYNPRDZSLCH-JKSUJKDBSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001254552411 1040321485 /nfs/dbraw/zinc/32/14/85/1040321485.db2.gz LIPFGXDXCXOKJT-KBAYOESNSA-N 1 1 389.496 3.857 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(CC3CC3)nc21 ZINC001254560362 1040332835 /nfs/dbraw/zinc/33/28/35/1040332835.db2.gz FLRGDKWEPVPRPL-OXQOHEQNSA-N 1 1 398.507 3.768 20 5 GHBDMO CCn1ncc2c1C[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C[C@@H]2COCC1CC1 ZINC001254562157 1040334365 /nfs/dbraw/zinc/33/43/65/1040334365.db2.gz OPZUTIQZQJEQPG-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO CCn1ncc2c1C[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C[C@@H]2COCC1CC1 ZINC001254562157 1040334381 /nfs/dbraw/zinc/33/43/81/1040334381.db2.gz OPZUTIQZQJEQPG-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO Cc1ccc(CN2C[C@@H]3C[NH+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3C2)cc1 ZINC001254563403 1040335426 /nfs/dbraw/zinc/33/54/26/1040335426.db2.gz ZWJPSXGFMQNRNC-VLCRHTCISA-N 1 1 379.504 3.898 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001254569741 1040346266 /nfs/dbraw/zinc/34/62/66/1040346266.db2.gz KMNLYIUMOIZEPC-BZZMCLGOSA-N 1 1 389.496 3.761 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001254593367 1040365759 /nfs/dbraw/zinc/36/57/59/1040365759.db2.gz LPRGRMJEYRWMGA-OIBXWCBGSA-N 1 1 377.488 3.658 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001254593367 1040365774 /nfs/dbraw/zinc/36/57/74/1040365774.db2.gz LPRGRMJEYRWMGA-OIBXWCBGSA-N 1 1 377.488 3.658 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001254593367 1040365794 /nfs/dbraw/zinc/36/57/94/1040365794.db2.gz LPRGRMJEYRWMGA-OIBXWCBGSA-N 1 1 377.488 3.658 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3CCC[C@@]3(COc3ccccn3)C1)C2 ZINC001254597586 1040369525 /nfs/dbraw/zinc/36/95/25/1040369525.db2.gz SZRLZDZMFGAVLC-UZKOGDIHSA-N 1 1 379.460 3.638 20 5 GHBDMO C[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254606422 1040378653 /nfs/dbraw/zinc/37/86/53/1040378653.db2.gz FWMKNZWICLYOGD-GHTZIAJQSA-N 1 1 389.496 3.783 20 5 GHBDMO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609360 1040382610 /nfs/dbraw/zinc/38/26/10/1040382610.db2.gz VTILLRUXWDVSGH-BHIFYINESA-N 1 1 394.471 3.873 20 5 GHBDMO CCC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611751 1040383727 /nfs/dbraw/zinc/38/37/27/1040383727.db2.gz SMUXTJKTIHXVAD-OALUTQOASA-N 1 1 389.496 3.783 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292272865 1043658325 /nfs/dbraw/zinc/65/83/25/1043658325.db2.gz LDLOAUSDCCNNTG-KRWDZBQOSA-N 1 1 399.516 3.959 20 5 GHBDMO C[C@H](NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000477189051 1044094410 /nfs/dbraw/zinc/09/44/10/1044094410.db2.gz QJSOANUSVKPRAI-KKSFZXQISA-N 1 1 396.491 3.866 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001295338506 1044983887 /nfs/dbraw/zinc/98/38/87/1044983887.db2.gz JTEIXEYLFVPABP-INIZCTEOSA-N 1 1 375.513 3.990 20 5 GHBDMO CC[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001296188338 1045275450 /nfs/dbraw/zinc/27/54/50/1045275450.db2.gz HFBCRWYKCQGGDU-YLJYHZDGSA-N 1 1 381.476 3.821 20 5 GHBDMO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001303074016 1047271349 /nfs/dbraw/zinc/27/13/49/1047271349.db2.gz XXDDMCQGFVVFNH-LPHOPBHVSA-N 1 1 398.511 3.572 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001307077021 1049057710 /nfs/dbraw/zinc/05/77/10/1049057710.db2.gz OTAPINUULYLQLU-CQSZACIVSA-N 1 1 376.888 3.998 20 5 GHBDMO COC(=O)Cc1ccc(NCC2([N@@H+](C)Cc3ccccc3)CCC2)c([N+](=O)[O-])c1 ZINC001307125442 1049091939 /nfs/dbraw/zinc/09/19/39/1049091939.db2.gz QNUVZZQIPZWKDL-UHFFFAOYSA-N 1 1 397.475 3.777 20 5 GHBDMO O=C(C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001307481440 1049320952 /nfs/dbraw/zinc/32/09/52/1049320952.db2.gz XTNYACOQPCDBRN-CQSZACIVSA-N 1 1 391.830 3.890 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001307481440 1049320967 /nfs/dbraw/zinc/32/09/67/1049320967.db2.gz XTNYACOQPCDBRN-CQSZACIVSA-N 1 1 391.830 3.890 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001289678492 1049586613 /nfs/dbraw/zinc/58/66/13/1049586613.db2.gz CKUGYESSRJXJOG-UHFFFAOYSA-N 1 1 379.526 3.949 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307819473 1049614696 /nfs/dbraw/zinc/61/46/96/1049614696.db2.gz VKXJAEXSYOCTFF-ZFWWWQNUSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307819473 1049614702 /nfs/dbraw/zinc/61/47/02/1049614702.db2.gz VKXJAEXSYOCTFF-ZFWWWQNUSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001307822714 1049617483 /nfs/dbraw/zinc/61/74/83/1049617483.db2.gz YDFGDCDSGOHHBZ-AWEZNQCLSA-N 1 1 393.846 3.977 20 5 GHBDMO CC1=CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001290256571 1049780451 /nfs/dbraw/zinc/78/04/51/1049780451.db2.gz JFZHLQGXFQJZCA-UHFFFAOYSA-N 1 1 398.511 3.740 20 5 GHBDMO CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)nc1C ZINC001308042659 1049792621 /nfs/dbraw/zinc/79/26/21/1049792621.db2.gz KAUSCNNCHULQQE-CYBMUJFWSA-N 1 1 393.440 3.665 20 5 GHBDMO CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)nc1C ZINC001308042659 1049792623 /nfs/dbraw/zinc/79/26/23/1049792623.db2.gz KAUSCNNCHULQQE-CYBMUJFWSA-N 1 1 393.440 3.665 20 5 GHBDMO CC1CC[NH+](CCCCNCc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001308204631 1049911960 /nfs/dbraw/zinc/91/19/60/1049911960.db2.gz WYAJVPXHEYKDST-UHFFFAOYSA-N 1 1 384.318 3.959 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC001290788999 1049924468 /nfs/dbraw/zinc/92/44/68/1049924468.db2.gz RACRDQUKOLGKJV-UHFFFAOYSA-N 1 1 381.476 3.868 20 5 GHBDMO CC(=O)N1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 ZINC001308333813 1049951227 /nfs/dbraw/zinc/95/12/27/1049951227.db2.gz QPFHXQIWVWYESB-INIZCTEOSA-N 1 1 391.374 3.784 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(Oc4ccccn4)c3)C2)nc1 ZINC001308573457 1050015503 /nfs/dbraw/zinc/01/55/03/1050015503.db2.gz KAILJJPRXMULGN-KRWDZBQOSA-N 1 1 391.431 3.864 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001308757151 1050084026 /nfs/dbraw/zinc/08/40/26/1050084026.db2.gz CFBGNWPPSLUFKU-UHFFFAOYSA-N 1 1 393.443 3.954 20 5 GHBDMO CCOc1cc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001310946665 1051725136 /nfs/dbraw/zinc/72/51/36/1051725136.db2.gz QGCRGVCBFROXTQ-GOSISDBHSA-N 1 1 398.463 3.780 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001311019156 1051777754 /nfs/dbraw/zinc/77/77/54/1051777754.db2.gz LORFVPHHUNMQFE-CQSZACIVSA-N 1 1 383.452 3.672 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001311331583 1052025631 /nfs/dbraw/zinc/02/56/31/1052025631.db2.gz NLKGFIHUQDNBMW-UYAOXDASSA-N 1 1 398.463 3.513 20 5 GHBDMO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001336855579 1052351144 /nfs/dbraw/zinc/35/11/44/1052351144.db2.gz AXXPUMVJZNWWKO-CQSZACIVSA-N 1 1 380.452 3.874 20 5 GHBDMO C[C@H](CNC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001313352192 1053027831 /nfs/dbraw/zinc/02/78/31/1053027831.db2.gz NAADJLHXQNEVSX-VGSWGCGISA-N 1 1 396.491 3.662 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccc(F)cc1 ZINC001343473009 1053793011 /nfs/dbraw/zinc/79/30/11/1053793011.db2.gz YUAZBAAWVQWNHK-WMLDXEAASA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccc(F)cc1 ZINC001343473009 1053793013 /nfs/dbraw/zinc/79/30/13/1053793013.db2.gz YUAZBAAWVQWNHK-WMLDXEAASA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC001320174711 1055690762 /nfs/dbraw/zinc/69/07/62/1055690762.db2.gz BAGNVLLYOPMKLG-IAGOWNOFSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC001320174711 1055690772 /nfs/dbraw/zinc/69/07/72/1055690772.db2.gz BAGNVLLYOPMKLG-IAGOWNOFSA-N 1 1 377.803 3.563 20 5 GHBDMO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CCO2 ZINC001321203134 1056155810 /nfs/dbraw/zinc/15/58/10/1056155810.db2.gz XFCQOBZBKHDMKC-YJYMSZOUSA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CCO2 ZINC001321203134 1056155814 /nfs/dbraw/zinc/15/58/14/1056155814.db2.gz XFCQOBZBKHDMKC-YJYMSZOUSA-N 1 1 392.839 3.888 20 5 GHBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001354808197 1056951722 /nfs/dbraw/zinc/95/17/22/1056951722.db2.gz WBHJZKVLRAFLRB-INIZCTEOSA-N 1 1 379.888 3.562 20 5 GHBDMO CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001355531345 1057197610 /nfs/dbraw/zinc/19/76/10/1057197610.db2.gz XWXDUBHUEVZCLX-HXUWFJFHSA-N 1 1 399.466 3.790 20 5 GHBDMO CCOC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001325785472 1057363939 /nfs/dbraw/zinc/36/39/39/1057363939.db2.gz JAJDOPYEJAEDHZ-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001443754881 1059191682 /nfs/dbraw/zinc/19/16/82/1059191682.db2.gz DEBMVYXABLHEPE-CQSZACIVSA-N 1 1 385.917 3.721 20 5 GHBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001452644989 1060977691 /nfs/dbraw/zinc/97/76/91/1060977691.db2.gz KZAWODIPKRDGKM-NEPJUHHUSA-N 1 1 390.242 3.787 20 5 GHBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001455409722 1062132904 /nfs/dbraw/zinc/13/29/04/1062132904.db2.gz ALRATWJDYMHKAL-MOPGFXCFSA-N 1 1 380.448 3.647 20 5 GHBDMO COc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1[N+](=O)[O-] ZINC001546082322 1062669210 /nfs/dbraw/zinc/66/92/10/1062669210.db2.gz NLQBXLSRYROCBM-SFHVURJKSA-N 1 1 395.459 3.844 20 5 GHBDMO C[NH+](C)[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001435698919 1062864362 /nfs/dbraw/zinc/86/43/62/1062864362.db2.gz DVEZNLMCTYSOPY-KRWDZBQOSA-N 1 1 396.274 3.863 20 5 GHBDMO CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457541513 1063234504 /nfs/dbraw/zinc/23/45/04/1063234504.db2.gz BVIBUCDOCRLKDU-BHDDXSALSA-N 1 1 393.487 3.821 20 5 GHBDMO CC(C)C[N@H+](Cc1ccccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001459375750 1064079823 /nfs/dbraw/zinc/07/98/23/1064079823.db2.gz DWXIRAPVHWAGAT-QGZVFWFLSA-N 1 1 376.428 3.632 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC001459611678 1064142015 /nfs/dbraw/zinc/14/20/15/1064142015.db2.gz TUEHONZFUFTRHR-NVXWUHKLSA-N 1 1 393.484 3.599 20 5 GHBDMO O=C(CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCCc2ccccc21 ZINC001459692288 1064173284 /nfs/dbraw/zinc/17/32/84/1064173284.db2.gz ZPHXPNWQGYSHEQ-UHFFFAOYSA-N 1 1 379.460 3.929 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001459709464 1064181059 /nfs/dbraw/zinc/18/10/59/1064181059.db2.gz VSDOWRIGYUYUBG-OAQYLSRUSA-N 1 1 385.439 3.684 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)o1 ZINC001460035932 1064363596 /nfs/dbraw/zinc/36/35/96/1064363596.db2.gz BGGYKAMKVFXJEO-LESCRADOSA-N 1 1 386.452 3.550 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464092002 1064815317 /nfs/dbraw/zinc/81/53/17/1064815317.db2.gz BWBFZYVHDOZONI-SFTDATJTSA-N 1 1 395.503 3.944 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001464888435 1065260508 /nfs/dbraw/zinc/26/05/08/1065260508.db2.gz FYXJFJBNQNJOHX-UHFFFAOYSA-N 1 1 381.904 3.761 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC001465076983 1065375627 /nfs/dbraw/zinc/37/56/27/1065375627.db2.gz SIQYUGSLXCZHSV-AWEZNQCLSA-N 1 1 379.526 3.947 20 5 GHBDMO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001465485838 1065656170 /nfs/dbraw/zinc/65/61/70/1065656170.db2.gz ARWUKLHRZLJFTH-ZPMCFJSWSA-N 1 1 393.487 3.821 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001467937851 1067535531 /nfs/dbraw/zinc/53/55/31/1067535531.db2.gz JHNDBUKCLKPLJL-UHFFFAOYSA-N 1 1 381.476 3.849 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001460144894 1068811260 /nfs/dbraw/zinc/81/12/60/1068811260.db2.gz ZEFFRJJJHLCJLC-CQSZACIVSA-N 1 1 375.856 3.968 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001460144894 1068811272 /nfs/dbraw/zinc/81/12/72/1068811272.db2.gz ZEFFRJJJHLCJLC-CQSZACIVSA-N 1 1 375.856 3.968 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001470712360 1072699057 /nfs/dbraw/zinc/69/90/57/1072699057.db2.gz CFMUHBYEJAMGOB-SFTDATJTSA-N 1 1 395.503 3.863 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)cc1 ZINC001471564465 1073137314 /nfs/dbraw/zinc/13/73/14/1073137314.db2.gz XUTFFLXFRXRWAM-UHFFFAOYSA-N 1 1 392.459 3.597 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(N)c1[N+](=O)[O-] ZINC001472227715 1073375188 /nfs/dbraw/zinc/37/51/88/1073375188.db2.gz XDAGNHKRXMWOIG-KRWDZBQOSA-N 1 1 394.475 3.726 20 5 GHBDMO CCc1cc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472667439 1073605737 /nfs/dbraw/zinc/60/57/37/1073605737.db2.gz ZSBRWJPARRADAD-IXDOHACOSA-N 1 1 397.523 3.814 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CCC[N@H+]3C3CCCCC3)c2c1 ZINC001472769237 1073657833 /nfs/dbraw/zinc/65/78/33/1073657833.db2.gz KRJRKLHTOOCXNS-INIZCTEOSA-N 1 1 399.451 3.682 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CCC[C@H]4C[N@H+](C)C[C@H]43)c([N+](=O)[O-])c2)cc1 ZINC001472812509 1073677346 /nfs/dbraw/zinc/67/73/46/1073677346.db2.gz POJXJCLJRHWJBA-LAUBAEHRSA-N 1 1 394.475 3.686 20 5 GHBDMO Cc1cc(N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)ccc1[N+](=O)[O-] ZINC001472862316 1073700673 /nfs/dbraw/zinc/70/06/73/1073700673.db2.gz LNAHBAOWEAERRG-AVRDEDQJSA-N 1 1 381.476 3.773 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNc2ncc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC001472872098 1073705342 /nfs/dbraw/zinc/70/53/42/1073705342.db2.gz SMCHCVBOICAIMI-UHFFFAOYSA-N 1 1 390.871 3.736 20 5 GHBDMO CC(C)[C@H](CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001473197546 1073849311 /nfs/dbraw/zinc/84/93/11/1073849311.db2.gz IRINMNLZLSCRID-SFHVURJKSA-N 1 1 395.500 3.845 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001473486275 1073985469 /nfs/dbraw/zinc/98/54/69/1073985469.db2.gz HFTBRRCLOYWTER-KRWDZBQOSA-N 1 1 383.448 3.812 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC001473530198 1074004837 /nfs/dbraw/zinc/00/48/37/1074004837.db2.gz HEPNIODAIPZDLT-WIYYLYMNSA-N 1 1 382.460 3.952 20 5 GHBDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001473575966 1074025040 /nfs/dbraw/zinc/02/50/40/1074025040.db2.gz NPIQSGYQTPUMHL-RXVVDRJESA-N 1 1 388.439 3.571 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)ccc1[N+](=O)[O-] ZINC001473581802 1074029646 /nfs/dbraw/zinc/02/96/46/1074029646.db2.gz FFZBMXWMYYDSPR-CTNGQTDRSA-N 1 1 384.476 3.952 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)cc1 ZINC001473582523 1074030182 /nfs/dbraw/zinc/03/01/82/1074030182.db2.gz OLRDFJPANQUJDI-VXKWHMMOSA-N 1 1 384.476 3.822 20 5 GHBDMO COc1ccc(C[C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC001473619983 1074052048 /nfs/dbraw/zinc/05/20/48/1074052048.db2.gz UFZAEXHWNVMTHL-SFHVURJKSA-N 1 1 397.475 3.948 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](Cc3nc(C)cs3)C2)c([N+](=O)[O-])c1 ZINC001473804115 1074151543 /nfs/dbraw/zinc/15/15/43/1074151543.db2.gz AICHWTACAYPAGZ-HNNXBMFYSA-N 1 1 391.493 3.702 20 5 GHBDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cc(F)ccc1OC ZINC001473813779 1074156913 /nfs/dbraw/zinc/15/69/13/1074156913.db2.gz RKCBESYXCPTUSP-DOMZBBRYSA-N 1 1 375.400 3.810 20 5 GHBDMO Cc1csc(C[C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC001473824559 1074161028 /nfs/dbraw/zinc/16/10/28/1074161028.db2.gz NAKPDJHTGWMQFD-GFCCVEGCSA-N 1 1 394.884 3.516 20 5 GHBDMO Cc1csc(C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC001473824559 1074161032 /nfs/dbraw/zinc/16/10/32/1074161032.db2.gz NAKPDJHTGWMQFD-GFCCVEGCSA-N 1 1 394.884 3.516 20 5 GHBDMO Cc1cc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164861458 720946649 /nfs/dbraw/zinc/94/66/49/720946649.db2.gz SNNCHUUFBDNABD-ZDUSSCGKSA-N 1 1 392.891 3.570 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc3ccc([N+](=O)[O-])cc31)[C@@H]2C ZINC001164859689 720992733 /nfs/dbraw/zinc/99/27/33/720992733.db2.gz LJKNDRPKFDTVCN-OAHLLOKOSA-N 1 1 394.479 3.761 20 5 GHBDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000180650908 837422940 /nfs/dbraw/zinc/42/29/40/837422940.db2.gz VZGQRWRXGPGTLQ-YWZLYKJASA-N 1 1 396.447 3.534 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000175281797 834505079 /nfs/dbraw/zinc/50/50/79/834505079.db2.gz URWNFLPYMOCYBG-LJQANCHMSA-N 1 1 381.476 3.887 20 5 GHBDMO Cc1c(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000510070769 834848545 /nfs/dbraw/zinc/84/85/45/834848545.db2.gz KEPGXFFYKRBNAW-APWZRJJASA-N 1 1 381.476 3.934 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000610187818 834884082 /nfs/dbraw/zinc/88/40/82/834884082.db2.gz LPCLONHPUJPMBZ-MRXNPFEDSA-N 1 1 379.526 3.899 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278378307 834888116 /nfs/dbraw/zinc/88/81/16/834888116.db2.gz SPRRSYBWQNULHZ-INIZCTEOSA-N 1 1 375.472 3.840 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246876482 834979450 /nfs/dbraw/zinc/97/94/50/834979450.db2.gz QGQYODRYPFXQNH-OGWOLHLISA-N 1 1 397.479 3.655 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](COC)Cc1ccccc1 ZINC000472339401 835129077 /nfs/dbraw/zinc/12/90/77/835129077.db2.gz CITGKYQMGWZWLV-IBGZPJMESA-N 1 1 396.447 3.724 20 5 GHBDMO Cc1sc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1[N+](=O)[O-] ZINC000612132242 835587820 /nfs/dbraw/zinc/58/78/20/835587820.db2.gz HWVBPDCXSSOISL-KZNAEPCWSA-N 1 1 399.516 3.995 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612132288 835587914 /nfs/dbraw/zinc/58/79/14/835587914.db2.gz JBAGDMIACGYULC-STZQEDGTSA-N 1 1 393.487 3.934 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2CCc3c(F)cc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000120570836 835753454 /nfs/dbraw/zinc/75/34/54/835753454.db2.gz MHWCAHIRLFAAOH-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCc3c(F)cc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000120570836 835753460 /nfs/dbraw/zinc/75/34/60/835753460.db2.gz MHWCAHIRLFAAOH-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000584354202 835910056 /nfs/dbraw/zinc/91/00/56/835910056.db2.gz FPYLGPIPRCJHLI-UHFFFAOYSA-N 1 1 396.491 3.520 20 5 GHBDMO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000584354202 835910063 /nfs/dbraw/zinc/91/00/63/835910063.db2.gz FPYLGPIPRCJHLI-UHFFFAOYSA-N 1 1 396.491 3.520 20 5 GHBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000584354202 835910068 /nfs/dbraw/zinc/91/00/68/835910068.db2.gz FPYLGPIPRCJHLI-UHFFFAOYSA-N 1 1 396.491 3.520 20 5 GHBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000512541287 844103616 /nfs/dbraw/zinc/10/36/16/844103616.db2.gz DZIOUEJGFCYERM-INIZCTEOSA-N 1 1 385.464 3.983 20 5 GHBDMO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000154694241 835942849 /nfs/dbraw/zinc/94/28/49/835942849.db2.gz CTIGYJWYHPZHME-IQMFZBJNSA-N 1 1 397.294 3.567 20 5 GHBDMO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000065860472 836026545 /nfs/dbraw/zinc/02/65/45/836026545.db2.gz IJMOZNXQYHXPPQ-KRWDZBQOSA-N 1 1 383.423 3.535 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1ccc(F)cc1 ZINC000053087833 836037155 /nfs/dbraw/zinc/03/71/55/836037155.db2.gz IYPUAKUFKMGWTO-ZDUSSCGKSA-N 1 1 375.400 3.764 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1ccc(F)cc1 ZINC000053087833 836037167 /nfs/dbraw/zinc/03/71/67/836037167.db2.gz IYPUAKUFKMGWTO-ZDUSSCGKSA-N 1 1 375.400 3.764 20 5 GHBDMO COc1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000411126183 836073456 /nfs/dbraw/zinc/07/34/56/836073456.db2.gz NQTVMKIVUHUURO-IBGZPJMESA-N 1 1 399.447 3.778 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](COCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000173652300 836238500 /nfs/dbraw/zinc/23/85/00/836238500.db2.gz ABFWEWGMMHTUOK-IBGZPJMESA-N 1 1 397.475 3.771 20 5 GHBDMO COC(=O)C(C)(C)[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000613383359 836247116 /nfs/dbraw/zinc/24/71/16/836247116.db2.gz DLPCPSNJVRXBOX-GOSISDBHSA-N 1 1 390.411 3.773 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246909531 836263042 /nfs/dbraw/zinc/26/30/42/836263042.db2.gz FURXULGQTMRHKR-NHCUHLMSSA-N 1 1 393.487 3.650 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246909510 836263108 /nfs/dbraw/zinc/26/31/08/836263108.db2.gz FURXULGQTMRHKR-LEWJYISDSA-N 1 1 393.487 3.650 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000043149533 836283933 /nfs/dbraw/zinc/28/39/33/836283933.db2.gz ALZGSCQXAGZPKS-UHFFFAOYSA-N 1 1 398.463 3.652 20 5 GHBDMO COC(=O)c1cc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000610770034 844171016 /nfs/dbraw/zinc/17/10/16/844171016.db2.gz PLCASGRYYZDIMP-GOSISDBHSA-N 1 1 394.431 3.819 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000547788765 836514662 /nfs/dbraw/zinc/51/46/62/836514662.db2.gz JWPRAYRKYHLWRV-OAHLLOKOSA-N 1 1 394.353 3.922 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000547788765 836514668 /nfs/dbraw/zinc/51/46/68/836514668.db2.gz JWPRAYRKYHLWRV-OAHLLOKOSA-N 1 1 394.353 3.922 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000893839776 844189055 /nfs/dbraw/zinc/18/90/55/844189055.db2.gz YDVVOXHVROJPIS-QGZVFWFLSA-N 1 1 398.438 3.579 20 5 GHBDMO CCOc1cc(C[N@@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000276969615 844197543 /nfs/dbraw/zinc/19/75/43/844197543.db2.gz WRZARSJIWAVWCU-UHFFFAOYSA-N 1 1 385.464 3.717 20 5 GHBDMO C[C@H](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000177689423 837012982 /nfs/dbraw/zinc/01/29/82/837012982.db2.gz YYFVFHGQBZHHIE-CQSZACIVSA-N 1 1 375.856 3.889 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510951224 844239157 /nfs/dbraw/zinc/23/91/57/844239157.db2.gz KYVKJGVDKBCYDH-ZIAGYGMSSA-N 1 1 387.402 3.745 20 5 GHBDMO Cc1cc(F)ccc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000547833268 837194272 /nfs/dbraw/zinc/19/42/72/837194272.db2.gz HEOYFBIOMWPHHY-UHFFFAOYSA-N 1 1 383.427 3.631 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000414335525 837204492 /nfs/dbraw/zinc/20/44/92/837204492.db2.gz OIRJSOGOBOYSFK-SQNIBIBYSA-N 1 1 386.496 3.990 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473499398 844247689 /nfs/dbraw/zinc/24/76/89/844247689.db2.gz SFSKXNZRUUTTOV-QFIPXVFZSA-N 1 1 379.460 3.723 20 5 GHBDMO Cc1cccnc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000180467958 837273221 /nfs/dbraw/zinc/27/32/21/837273221.db2.gz JJVMVUNAESNTON-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000180504085 837320915 /nfs/dbraw/zinc/32/09/15/837320915.db2.gz XUOMWRURGGJGGH-ZDUSSCGKSA-N 1 1 396.394 3.882 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000180504085 837320922 /nfs/dbraw/zinc/32/09/22/837320922.db2.gz XUOMWRURGGJGGH-ZDUSSCGKSA-N 1 1 396.394 3.882 20 5 GHBDMO Cn1cc(C[N@@H+](C)CCOCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180590981 837373083 /nfs/dbraw/zinc/37/30/83/837373083.db2.gz ABOXQRVXIYODAP-UHFFFAOYSA-N 1 1 380.448 3.644 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177021904 837841232 /nfs/dbraw/zinc/84/12/32/837841232.db2.gz ANJQPGVMGSESMQ-GFCCVEGCSA-N 1 1 398.301 3.598 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000101604370 837969848 /nfs/dbraw/zinc/96/98/48/837969848.db2.gz QXZCRJMXZLZDFO-UHFFFAOYSA-N 1 1 382.464 3.767 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)CC1(CO)CC1 ZINC000188951054 838001838 /nfs/dbraw/zinc/00/18/38/838001838.db2.gz MXOOUOYVGYSHQC-UHFFFAOYSA-N 1 1 395.253 3.822 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134029972 838153020 /nfs/dbraw/zinc/15/30/20/838153020.db2.gz FNPNPUOFYWHGCE-UONOGXRCSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134029972 838153031 /nfs/dbraw/zinc/15/30/31/838153031.db2.gz FNPNPUOFYWHGCE-UONOGXRCSA-N 1 1 381.448 3.859 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000365732965 838184750 /nfs/dbraw/zinc/18/47/50/838184750.db2.gz LQDVMERDCFZSEB-UHFFFAOYSA-N 1 1 375.812 3.635 20 5 GHBDMO C[N@@H+](CCOc1cccc(CNc2ccccc2[N+](=O)[O-])c1)C1CCOCC1 ZINC000102766794 838221555 /nfs/dbraw/zinc/22/15/55/838221555.db2.gz HXNSOKIZGWUJHE-UHFFFAOYSA-N 1 1 385.464 3.697 20 5 GHBDMO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000311306958 838326254 /nfs/dbraw/zinc/32/62/54/838326254.db2.gz LDSHXLKUKBOWQG-UHFFFAOYSA-N 1 1 377.466 3.971 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000128454338 838728958 /nfs/dbraw/zinc/72/89/58/838728958.db2.gz UXRCIAHBTSNFLX-AWEZNQCLSA-N 1 1 387.436 3.634 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000128454338 838728962 /nfs/dbraw/zinc/72/89/62/838728962.db2.gz UXRCIAHBTSNFLX-AWEZNQCLSA-N 1 1 387.436 3.634 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[N@H+]1C ZINC000275822225 839244815 /nfs/dbraw/zinc/24/48/15/839244815.db2.gz SJSOTFFGIRRAES-IUODEOHRSA-N 1 1 399.441 3.927 20 5 GHBDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134222676 839434482 /nfs/dbraw/zinc/43/44/82/839434482.db2.gz VIYBYEOITOMBQC-KZULUSFZSA-N 1 1 389.839 3.511 20 5 GHBDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134222676 839434488 /nfs/dbraw/zinc/43/44/88/839434488.db2.gz VIYBYEOITOMBQC-KZULUSFZSA-N 1 1 389.839 3.511 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)CC2)cn1 ZINC000535785814 844453561 /nfs/dbraw/zinc/45/35/61/844453561.db2.gz TYOFPQDPFBRPTF-UHFFFAOYSA-N 1 1 382.395 3.711 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000119149809 839679542 /nfs/dbraw/zinc/67/95/42/839679542.db2.gz GDDSEXWAGZJZSS-APWZRJJASA-N 1 1 385.508 3.981 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@@H]1O ZINC000190066083 839724794 /nfs/dbraw/zinc/72/47/94/839724794.db2.gz VDXMYSWPJWDOTQ-ZBEGNZNMSA-N 1 1 395.253 3.820 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000610458535 840109198 /nfs/dbraw/zinc/10/91/98/840109198.db2.gz NNXNDZKQOCQVTB-QZTJIDSGSA-N 1 1 396.491 3.962 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000408099031 840216325 /nfs/dbraw/zinc/21/63/25/840216325.db2.gz JAONNWXRYCOJOC-XQQFMLRXSA-N 1 1 383.290 3.594 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000053718381 840355399 /nfs/dbraw/zinc/35/53/99/840355399.db2.gz VMOZPFJHDOLSTJ-SFHVURJKSA-N 1 1 387.411 3.908 20 5 GHBDMO C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000431990199 840497920 /nfs/dbraw/zinc/49/79/20/840497920.db2.gz DYQQOBKLPHIXDG-MRXNPFEDSA-N 1 1 384.480 3.650 20 5 GHBDMO CC[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000429837606 844561371 /nfs/dbraw/zinc/56/13/71/844561371.db2.gz LTBHQUHAYAPRFY-IBGZPJMESA-N 1 1 395.503 3.826 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511769469 840692799 /nfs/dbraw/zinc/69/27/99/840692799.db2.gz PJPDCLGLKUKWHN-HXUWFJFHSA-N 1 1 381.476 3.934 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047322997 840739292 /nfs/dbraw/zinc/73/92/92/840739292.db2.gz FAGUNKWZGVIMEZ-UHFFFAOYSA-N 1 1 390.390 3.659 20 5 GHBDMO CCOc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000511786892 840754884 /nfs/dbraw/zinc/75/48/84/840754884.db2.gz OFTDISGCKXYIKS-HSALFYBXSA-N 1 1 382.460 3.998 20 5 GHBDMO CC[N@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000124560019 840992896 /nfs/dbraw/zinc/99/28/96/840992896.db2.gz QPQOGMJVNKTONE-CYBMUJFWSA-N 1 1 375.400 3.592 20 5 GHBDMO CC[N@@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000124560019 840992903 /nfs/dbraw/zinc/99/29/03/840992903.db2.gz QPQOGMJVNKTONE-CYBMUJFWSA-N 1 1 375.400 3.592 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+](C)CCCn3ccnc3C)o2)c([N+](=O)[O-])c1 ZINC000584475812 841176650 /nfs/dbraw/zinc/17/66/50/841176650.db2.gz ASKXHQRGNAOPLD-UHFFFAOYSA-N 1 1 384.436 3.890 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1OCCc2ccccc21 ZINC000511650287 841349900 /nfs/dbraw/zinc/34/99/00/841349900.db2.gz WBXJNQHVTKCQDG-GOSISDBHSA-N 1 1 378.375 3.942 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1OCCc2ccccc21 ZINC000511650287 841349905 /nfs/dbraw/zinc/34/99/05/841349905.db2.gz WBXJNQHVTKCQDG-GOSISDBHSA-N 1 1 378.375 3.942 20 5 GHBDMO O=C(CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000581428966 841385016 /nfs/dbraw/zinc/38/50/16/841385016.db2.gz NCWUJLVSLKEFDE-QGZVFWFLSA-N 1 1 385.489 3.931 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500148217 841518275 /nfs/dbraw/zinc/51/82/75/841518275.db2.gz JZXMXTNVPLDBAH-LPHOPBHVSA-N 1 1 381.476 3.509 20 5 GHBDMO CCc1nn(C)c(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000302172231 861229325 /nfs/dbraw/zinc/22/93/25/861229325.db2.gz QCNAENJNIDYWIC-JENIJYKNSA-N 1 1 383.496 3.603 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133270 841858722 /nfs/dbraw/zinc/85/87/22/841858722.db2.gz OKKAMUQELLAVTM-XMSQKQJNSA-N 1 1 397.475 3.941 20 5 GHBDMO COc1ccccc1C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000051799801 841987006 /nfs/dbraw/zinc/98/70/06/841987006.db2.gz DATUPRYVOXUIEA-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1ccccc1C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000051799801 841987007 /nfs/dbraw/zinc/98/70/07/841987007.db2.gz DATUPRYVOXUIEA-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000477316039 841991885 /nfs/dbraw/zinc/99/18/85/841991885.db2.gz BNTXZSKYRHFNRH-INIZCTEOSA-N 1 1 399.466 3.825 20 5 GHBDMO CCNc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430638117 842016872 /nfs/dbraw/zinc/01/68/72/842016872.db2.gz MNZCWXZFWHJOFI-VQIMIIECSA-N 1 1 396.491 3.810 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@@H]1C ZINC000585699788 842112168 /nfs/dbraw/zinc/11/21/68/842112168.db2.gz FEEVGLASLPHLSM-WCQYABFASA-N 1 1 398.301 3.611 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000408305263 842182746 /nfs/dbraw/zinc/18/27/46/842182746.db2.gz INZQNJLLCCSTKV-SCRDCRAPSA-N 1 1 383.290 3.594 20 5 GHBDMO Cc1ccc2c(C)cc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)[nH+]c2c1 ZINC000603856089 861281644 /nfs/dbraw/zinc/28/16/44/861281644.db2.gz DXUWHSGZZIUVLF-UHFFFAOYSA-N 1 1 396.472 3.784 20 5 GHBDMO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600230383 861319438 /nfs/dbraw/zinc/31/94/38/861319438.db2.gz RYOXLCGAPUNLTH-INIZCTEOSA-N 1 1 377.460 3.535 20 5 GHBDMO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236882803 842834358 /nfs/dbraw/zinc/83/43/58/842834358.db2.gz FDBVINKLLMBHNU-VXGBXAGGSA-N 1 1 379.844 3.901 20 5 GHBDMO COC(=O)c1cnc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c([N+](=O)[O-])c1 ZINC000302758233 861352002 /nfs/dbraw/zinc/35/20/02/861352002.db2.gz JFCUUHLTLQRJFZ-UHFFFAOYSA-N 1 1 381.392 3.596 20 5 GHBDMO COc1ccccc1[C@H](CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)[NH+](C)C ZINC000093905207 842871091 /nfs/dbraw/zinc/87/10/91/842871091.db2.gz XALRAAODJPTDHP-KRWDZBQOSA-N 1 1 385.464 3.561 20 5 GHBDMO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1 ZINC000510540624 842930790 /nfs/dbraw/zinc/93/07/90/842930790.db2.gz WLLXMOHPJWWUHU-FQEVSTJZSA-N 1 1 391.427 3.918 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000278882928 843507105 /nfs/dbraw/zinc/50/71/05/843507105.db2.gz YRGFVZYDUFAGTN-OAHLLOKOSA-N 1 1 384.436 3.612 20 5 GHBDMO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-n2cncn2)cc1 ZINC000181906844 843580745 /nfs/dbraw/zinc/58/07/45/843580745.db2.gz HSCJZPLPAQHOIP-AWEZNQCLSA-N 1 1 390.403 3.681 20 5 GHBDMO O=C(C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302997239 861446677 /nfs/dbraw/zinc/44/66/77/861446677.db2.gz GUNBDBVBBSQHBN-HNNXBMFYSA-N 1 1 381.860 3.610 20 5 GHBDMO CC[NH+](CC)Cc1cccc(CN[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000056184953 861448432 /nfs/dbraw/zinc/44/84/32/861448432.db2.gz QUKSADUXKBLEHQ-INIZCTEOSA-N 1 1 384.480 3.553 20 5 GHBDMO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CCC2 ZINC000433225503 843884175 /nfs/dbraw/zinc/88/41/75/843884175.db2.gz IPFZZQLEJWPRPN-RBUKOAKNSA-N 1 1 384.480 3.827 20 5 GHBDMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433224902 843884903 /nfs/dbraw/zinc/88/49/03/843884903.db2.gz DVSPJBHXKYSKJE-IBGZPJMESA-N 1 1 382.464 3.969 20 5 GHBDMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000025702392 861485126 /nfs/dbraw/zinc/48/51/26/861485126.db2.gz KXJGTQUHFZRYPZ-KRWDZBQOSA-N 1 1 396.491 3.698 20 5 GHBDMO COC[C@@H](C)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21 ZINC000599683245 861523557 /nfs/dbraw/zinc/52/35/57/861523557.db2.gz OWMJYGNLSXHSTA-VFNWGFHPSA-N 1 1 398.459 3.986 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433055914 845076562 /nfs/dbraw/zinc/07/65/62/845076562.db2.gz GAFXRKCRXACEET-KRWDZBQOSA-N 1 1 383.448 3.812 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433076026 845188032 /nfs/dbraw/zinc/18/80/32/845188032.db2.gz MACBRGHRMKPDQQ-QGZVFWFLSA-N 1 1 383.448 3.812 20 5 GHBDMO C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182922614 845596083 /nfs/dbraw/zinc/59/60/83/845596083.db2.gz HKNDROCWGDHEAL-JKSUJKDBSA-N 1 1 388.512 3.782 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000071931754 845842946 /nfs/dbraw/zinc/84/29/46/845842946.db2.gz UUITVAJURBRTIZ-MRXNPFEDSA-N 1 1 383.448 3.844 20 5 GHBDMO COc1cc(C[N@H+](C)CCc2ncc(C)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000157862499 846225845 /nfs/dbraw/zinc/22/58/45/846225845.db2.gz GDDSUSDKQWIOSR-UHFFFAOYSA-N 1 1 387.408 3.644 20 5 GHBDMO COc1cc(C[N@@H+](C)CCc2ncc(C)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000157862499 846225858 /nfs/dbraw/zinc/22/58/58/846225858.db2.gz GDDSUSDKQWIOSR-UHFFFAOYSA-N 1 1 387.408 3.644 20 5 GHBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000280044361 846279399 /nfs/dbraw/zinc/27/93/99/846279399.db2.gz JEQZJQAKRXYZJG-MRXNPFEDSA-N 1 1 380.491 3.617 20 5 GHBDMO CC(C)[C@H](NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000511072830 846286954 /nfs/dbraw/zinc/28/69/54/846286954.db2.gz MOVAGWLDZSOQMZ-NRFANRHFSA-N 1 1 387.455 3.722 20 5 GHBDMO CC(C)[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000511072830 846286964 /nfs/dbraw/zinc/28/69/64/846286964.db2.gz MOVAGWLDZSOQMZ-NRFANRHFSA-N 1 1 387.455 3.722 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001167548609 846361850 /nfs/dbraw/zinc/36/18/50/846361850.db2.gz COMYRXQTMQHRID-CQSZACIVSA-N 1 1 375.469 3.833 20 5 GHBDMO Cc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000502751917 846434559 /nfs/dbraw/zinc/43/45/59/846434559.db2.gz BOXDDWDSHCPPKV-UHFFFAOYSA-N 1 1 389.209 3.874 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](n4cccn4)C3)o2)c([N+](=O)[O-])c1 ZINC000092967762 846450721 /nfs/dbraw/zinc/45/07/21/846450721.db2.gz ZUZGRDODNIFZGQ-HNNXBMFYSA-N 1 1 382.420 3.897 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000582152439 846520410 /nfs/dbraw/zinc/52/04/10/846520410.db2.gz VMBKRNUJTJKWMG-IBGZPJMESA-N 1 1 382.464 3.548 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000582152439 846520419 /nfs/dbraw/zinc/52/04/19/846520419.db2.gz VMBKRNUJTJKWMG-IBGZPJMESA-N 1 1 382.464 3.548 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501562203 847021246 /nfs/dbraw/zinc/02/12/46/847021246.db2.gz RFDUYOPCARKVKS-OAHLLOKOSA-N 1 1 393.237 3.979 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000501637050 847069363 /nfs/dbraw/zinc/06/93/63/847069363.db2.gz JEKSYLDPUYHGIL-HXUWFJFHSA-N 1 1 381.476 3.716 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccc(CN3CCOCC3)c2)C2CC2)cc1 ZINC000420928326 847547554 /nfs/dbraw/zinc/54/75/54/847547554.db2.gz CRHNHTYVZZOFLU-UHFFFAOYSA-N 1 1 381.476 3.592 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420945426 847564859 /nfs/dbraw/zinc/56/48/59/847564859.db2.gz KSDMHTMHFWRGOO-LBPRGKRZSA-N 1 1 389.374 3.596 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000479451522 847639541 /nfs/dbraw/zinc/63/95/41/847639541.db2.gz FTYFFYFKLVNJOO-UHFFFAOYSA-N 1 1 387.505 3.959 20 5 GHBDMO Cc1c(CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000480069651 848062408 /nfs/dbraw/zinc/06/24/08/848062408.db2.gz LXSHEPJJXTYOLN-FUHWJXTLSA-N 1 1 388.512 3.699 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709816 848105495 /nfs/dbraw/zinc/10/54/95/848105495.db2.gz WEAAYNJMZPHRMD-SFHVURJKSA-N 1 1 391.475 3.886 20 5 GHBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000178786144 849135274 /nfs/dbraw/zinc/13/52/74/849135274.db2.gz RDVYHODXOYJVRW-UHFFFAOYSA-N 1 1 379.401 3.951 20 5 GHBDMO C[N@H+]1C[C@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[C@@H](c2ccccc2)C1 ZINC000599987841 861986097 /nfs/dbraw/zinc/98/60/97/861986097.db2.gz RTPNTENLNWGMHU-FCEUIQTBSA-N 1 1 393.487 3.646 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)[C@@H](CC)Cc3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000505572485 849904535 /nfs/dbraw/zinc/90/45/35/849904535.db2.gz KQEISMTZYFDHJS-UGKGYDQZSA-N 1 1 395.503 3.899 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000514832642 850364765 /nfs/dbraw/zinc/36/47/65/850364765.db2.gz RATIHFLTQZJCEE-GOSISDBHSA-N 1 1 396.491 3.669 20 5 GHBDMO CC(C)(C)Oc1cc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000487076523 850427679 /nfs/dbraw/zinc/42/76/79/850427679.db2.gz SFYGSOGIRPCLLZ-OALUTQOASA-N 1 1 399.491 3.819 20 5 GHBDMO CSc1ccc(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487292929 850640056 /nfs/dbraw/zinc/64/00/56/850640056.db2.gz ATLNLOXSHMSRCN-QAPCUYQASA-N 1 1 399.516 3.957 20 5 GHBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174680652 850682093 /nfs/dbraw/zinc/68/20/93/850682093.db2.gz YUOXIFZBUGATAN-LJQANCHMSA-N 1 1 393.447 3.746 20 5 GHBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174680652 850682103 /nfs/dbraw/zinc/68/21/03/850682103.db2.gz YUOXIFZBUGATAN-LJQANCHMSA-N 1 1 393.447 3.746 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000506748561 850724569 /nfs/dbraw/zinc/72/45/69/850724569.db2.gz MPHGUGZYFIRQCY-HNNXBMFYSA-N 1 1 379.526 3.901 20 5 GHBDMO CNc1c(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cccc1[N+](=O)[O-] ZINC000425042975 850886801 /nfs/dbraw/zinc/88/68/01/850886801.db2.gz QJCVXTFMFUVYBE-UHFFFAOYSA-N 1 1 389.481 3.502 20 5 GHBDMO COc1ccc(C[N@@H+](C)CCOc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000515540504 851149884 /nfs/dbraw/zinc/14/98/84/851149884.db2.gz YZLOEXMWBJHEBM-UHFFFAOYSA-N 1 1 395.253 3.877 20 5 GHBDMO O=C(NC1CC1)c1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000514084109 851221880 /nfs/dbraw/zinc/22/18/80/851221880.db2.gz OMONOSMVTKKLMQ-LJQANCHMSA-N 1 1 394.475 3.564 20 5 GHBDMO C[N@@H+](CCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000488186945 851258274 /nfs/dbraw/zinc/25/82/74/851258274.db2.gz UMHOVCOMLMKRTN-UHFFFAOYSA-N 1 1 384.480 3.651 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000174987549 851275981 /nfs/dbraw/zinc/27/59/81/851275981.db2.gz NVKROAOUKCWUAK-OAHLLOKOSA-N 1 1 377.828 3.798 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCCCO)c([N+](=O)[O-])c1 ZINC000434665147 851454501 /nfs/dbraw/zinc/45/45/01/851454501.db2.gz MWSJINUSILWWPD-FQEVSTJZSA-N 1 1 385.464 3.677 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000436340302 851484603 /nfs/dbraw/zinc/48/46/03/851484603.db2.gz ZFWCNPYUFMIAHN-NSHDSACASA-N 1 1 381.358 3.535 20 5 GHBDMO CC1CC[NH+]([C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000505798651 851514300 /nfs/dbraw/zinc/51/43/00/851514300.db2.gz FNXBOZNVHBPVLJ-HXUWFJFHSA-N 1 1 383.448 3.503 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505482793 851526159 /nfs/dbraw/zinc/52/61/59/851526159.db2.gz BYZRRSAFUKUQJB-HXUWFJFHSA-N 1 1 394.475 3.518 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000488484718 851555334 /nfs/dbraw/zinc/55/53/34/851555334.db2.gz XORMSWTYSFEHMJ-KSSFIOAISA-N 1 1 387.867 3.889 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436398748 851571532 /nfs/dbraw/zinc/57/15/32/851571532.db2.gz WDAVHNYSYHPLAG-OAHLLOKOSA-N 1 1 394.397 3.967 20 5 GHBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@H](OCC)C1(C)C ZINC000303818843 851685341 /nfs/dbraw/zinc/68/53/41/851685341.db2.gz JREBVTJWMZDNQL-ROUUACIJSA-N 1 1 378.469 3.877 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Cl)ccc3OC(F)F)CC2)n1 ZINC000488734619 851729312 /nfs/dbraw/zinc/72/93/12/851729312.db2.gz RFJSTLNOOWKKCT-UHFFFAOYSA-N 1 1 386.786 3.883 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000604533321 862284973 /nfs/dbraw/zinc/28/49/73/862284973.db2.gz WRKPNQZNNXJLNQ-SFHVURJKSA-N 1 1 396.491 3.667 20 5 GHBDMO Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000473763250 851855869 /nfs/dbraw/zinc/85/58/69/851855869.db2.gz IURIHDFTRPHCDL-LPHOPBHVSA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000843754550 851860907 /nfs/dbraw/zinc/86/09/07/851860907.db2.gz VSHKGPHXESTMDT-INIZCTEOSA-N 1 1 375.400 3.592 20 5 GHBDMO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473773573 851907848 /nfs/dbraw/zinc/90/78/48/851907848.db2.gz DDRZPACANMCOGY-FUHWJXTLSA-N 1 1 382.464 3.935 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000517396568 851919062 /nfs/dbraw/zinc/91/90/62/851919062.db2.gz JINMFDYQVWMGQF-HXUWFJFHSA-N 1 1 399.491 3.880 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)C1 ZINC000517561538 852099107 /nfs/dbraw/zinc/09/91/07/852099107.db2.gz OQNZIALCNRQVOS-OAHLLOKOSA-N 1 1 385.439 3.896 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000550264703 852235255 /nfs/dbraw/zinc/23/52/55/852235255.db2.gz RDUHCXNZRXROJE-LBPRGKRZSA-N 1 1 398.301 3.660 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000132934134 862334788 /nfs/dbraw/zinc/33/47/88/862334788.db2.gz QTBXIGXOUBSSPL-KRWDZBQOSA-N 1 1 388.512 3.923 20 5 GHBDMO CC[N@@H+](CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000425982394 852253302 /nfs/dbraw/zinc/25/33/02/852253302.db2.gz WNEGUYRSBFXPFC-CYBMUJFWSA-N 1 1 390.406 3.538 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(c4ccccc4O)CC3)o2)c1 ZINC000505890812 852409995 /nfs/dbraw/zinc/40/99/95/852409995.db2.gz FSKLWWVYKGPCBU-UHFFFAOYSA-N 1 1 379.416 3.883 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000489578637 852449798 /nfs/dbraw/zinc/44/97/98/852449798.db2.gz BJYRCRBLKOUPEN-SJLPKXTDSA-N 1 1 396.491 3.792 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000507021777 852463797 /nfs/dbraw/zinc/46/37/97/852463797.db2.gz LGIIBDGTOSXFIC-YOEHRIQHSA-N 1 1 380.448 3.727 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000437016649 852627695 /nfs/dbraw/zinc/62/76/95/852627695.db2.gz IUQWYEWZROUJNW-UHFFFAOYSA-N 1 1 399.344 3.615 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000489981059 852704223 /nfs/dbraw/zinc/70/42/23/852704223.db2.gz LFKFGNPYLFVGOG-RHSMWYFYSA-N 1 1 379.526 3.801 20 5 GHBDMO CC[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@H+]1CCc2ccccc2C1 ZINC000518025734 852748471 /nfs/dbraw/zinc/74/84/71/852748471.db2.gz YAYUFJPDJRPUNB-QGZVFWFLSA-N 1 1 392.459 3.643 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000507320528 852790404 /nfs/dbraw/zinc/79/04/04/852790404.db2.gz AMAMXRKZMVHZPT-OAHLLOKOSA-N 1 1 379.526 3.805 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000729472646 852822867 /nfs/dbraw/zinc/82/28/67/852822867.db2.gz SOEJXTRECJLNCN-MRXNPFEDSA-N 1 1 385.395 3.697 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000729472646 852822874 /nfs/dbraw/zinc/82/28/74/852822874.db2.gz SOEJXTRECJLNCN-MRXNPFEDSA-N 1 1 385.395 3.697 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490227979 852841654 /nfs/dbraw/zinc/84/16/54/852841654.db2.gz XGIMLFACXSEVTE-MOPGFXCFSA-N 1 1 389.402 3.827 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490227979 852841659 /nfs/dbraw/zinc/84/16/59/852841659.db2.gz XGIMLFACXSEVTE-MOPGFXCFSA-N 1 1 389.402 3.827 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000054698825 853060882 /nfs/dbraw/zinc/06/08/82/853060882.db2.gz ZDFITTIDRHQEMD-FCEWJHQRSA-N 1 1 382.464 3.791 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000507623223 853098105 /nfs/dbraw/zinc/09/81/05/853098105.db2.gz YBBUXIMSXADMGL-DNVCBOLYSA-N 1 1 394.475 3.734 20 5 GHBDMO COc1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000543892617 853234812 /nfs/dbraw/zinc/23/48/12/853234812.db2.gz NQRVAAHPUBZDPL-WBVHZDCISA-N 1 1 398.463 3.636 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000543892615 853246494 /nfs/dbraw/zinc/24/64/94/853246494.db2.gz NQRVAAHPUBZDPL-RDJZCZTQSA-N 1 1 398.463 3.636 20 5 GHBDMO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490806632 853282456 /nfs/dbraw/zinc/28/24/56/853282456.db2.gz PZVHVCPETCDJMV-WBVHZDCISA-N 1 1 392.459 3.717 20 5 GHBDMO Cc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCOCC2)c1 ZINC000029626558 853294158 /nfs/dbraw/zinc/29/41/58/853294158.db2.gz GOTOPDOQWMDIBU-OAQYLSRUSA-N 1 1 392.459 3.937 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1c1ccccc1 ZINC000491114727 853444004 /nfs/dbraw/zinc/44/40/04/853444004.db2.gz BEKRIKUXUBVBME-DLBZAZTESA-N 1 1 393.365 3.789 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC000439263077 853482842 /nfs/dbraw/zinc/48/28/42/853482842.db2.gz YKDCZGKNRJJTMT-QFIPXVFZSA-N 1 1 399.491 3.895 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054719901 853507543 /nfs/dbraw/zinc/50/75/43/853507543.db2.gz WMJTYTRQAUNHTI-LPHOPBHVSA-N 1 1 382.464 3.572 20 5 GHBDMO CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760657024 853659674 /nfs/dbraw/zinc/65/96/74/853659674.db2.gz OQORMTRRBJLFEK-QGZVFWFLSA-N 1 1 387.867 3.985 20 5 GHBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000520100155 853836014 /nfs/dbraw/zinc/83/60/14/853836014.db2.gz FNYDZEGUGJPYGG-IBGZPJMESA-N 1 1 390.443 3.561 20 5 GHBDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441021833 853838750 /nfs/dbraw/zinc/83/87/50/853838750.db2.gz BUPVYVKUVNXCFD-KZULUSFZSA-N 1 1 389.839 3.511 20 5 GHBDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441021833 853838757 /nfs/dbraw/zinc/83/87/57/853838757.db2.gz BUPVYVKUVNXCFD-KZULUSFZSA-N 1 1 389.839 3.511 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000571429503 853877345 /nfs/dbraw/zinc/87/73/45/853877345.db2.gz GJNMGGZLDSSXBE-IIDMSEBBSA-N 1 1 391.537 3.899 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)Cc1ccccc1 ZINC000571602588 853955632 /nfs/dbraw/zinc/95/56/32/853955632.db2.gz SEETYTUSWTTWSX-UHFFFAOYSA-N 1 1 395.381 3.866 20 5 GHBDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000441325189 854110482 /nfs/dbraw/zinc/11/04/82/854110482.db2.gz BSXQQKARJDUQPN-BVSLBCMMSA-N 1 1 384.476 3.911 20 5 GHBDMO C[C@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC000588854748 854552385 /nfs/dbraw/zinc/55/23/85/854552385.db2.gz LLJJFSQILRRYHC-WMLDXEAASA-N 1 1 380.448 3.554 20 5 GHBDMO O=C(C[N@@H+]1CC[C@H](c2ccco2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000609539981 854598213 /nfs/dbraw/zinc/59/82/13/854598213.db2.gz MFMMEDCCWMVGCG-AWEZNQCLSA-N 1 1 398.444 3.739 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](c2ccco2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000609539981 854598218 /nfs/dbraw/zinc/59/82/18/854598218.db2.gz MFMMEDCCWMVGCG-AWEZNQCLSA-N 1 1 398.444 3.739 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000590112470 855283696 /nfs/dbraw/zinc/28/36/96/855283696.db2.gz MHXMFSZAIXMTHB-UHFFFAOYSA-N 1 1 378.432 3.683 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@H](C)[N@H+]1C ZINC000590515727 855445457 /nfs/dbraw/zinc/44/54/57/855445457.db2.gz GIOBHNVOIIIVOF-OKILXGFUSA-N 1 1 377.510 3.794 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@H](C)[N@@H+]1C ZINC000590515727 855445459 /nfs/dbraw/zinc/44/54/59/855445459.db2.gz GIOBHNVOIIIVOF-OKILXGFUSA-N 1 1 377.510 3.794 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000591026247 855746212 /nfs/dbraw/zinc/74/62/12/855746212.db2.gz ZPSJDYGGYVQOPR-NEPJUHHUSA-N 1 1 389.374 3.595 20 5 GHBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000614660605 856162616 /nfs/dbraw/zinc/16/26/16/856162616.db2.gz LJYSHJHPITTWCA-JOCHJYFZSA-N 1 1 389.411 3.951 20 5 GHBDMO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429225871 856186526 /nfs/dbraw/zinc/18/65/26/856186526.db2.gz IBEPCEBATYODBP-UHFFFAOYSA-N 1 1 396.491 3.967 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000499427892 856210233 /nfs/dbraw/zinc/21/02/33/856210233.db2.gz NYBPXWXJFQXHDH-HOTGVXAUSA-N 1 1 392.459 3.811 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000499427892 856210242 /nfs/dbraw/zinc/21/02/42/856210242.db2.gz NYBPXWXJFQXHDH-HOTGVXAUSA-N 1 1 392.459 3.811 20 5 GHBDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000552741618 856263008 /nfs/dbraw/zinc/26/30/08/856263008.db2.gz IYQWLKIBWZXFQX-UHFFFAOYSA-N 1 1 396.451 3.681 20 5 GHBDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000053097734 856421959 /nfs/dbraw/zinc/42/19/59/856421959.db2.gz JDYFQGNGPBUPGV-OAHLLOKOSA-N 1 1 383.448 3.843 20 5 GHBDMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000172942318 856675308 /nfs/dbraw/zinc/67/53/08/856675308.db2.gz XOXVSBRJOSWAFS-OAQYLSRUSA-N 1 1 396.468 3.878 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592189243 856792639 /nfs/dbraw/zinc/79/26/39/856792639.db2.gz YYASNRGIYNQGDF-GHTZIAJQSA-N 1 1 380.444 3.728 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000173396789 856904256 /nfs/dbraw/zinc/90/42/56/856904256.db2.gz BQEGUBXKVZSBNY-UHFFFAOYSA-N 1 1 399.491 3.579 20 5 GHBDMO COc1ccc(OCCN(C)C2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000173396789 856904260 /nfs/dbraw/zinc/90/42/60/856904260.db2.gz BQEGUBXKVZSBNY-UHFFFAOYSA-N 1 1 399.491 3.579 20 5 GHBDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544122336 856932308 /nfs/dbraw/zinc/93/23/08/856932308.db2.gz VEHMCBSGYQEKEG-HNNXBMFYSA-N 1 1 392.477 3.507 20 5 GHBDMO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245714366 857135724 /nfs/dbraw/zinc/13/57/24/857135724.db2.gz PTJNXBMCLADXHR-BDJLRTHQSA-N 1 1 397.859 3.872 20 5 GHBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245714366 857135731 /nfs/dbraw/zinc/13/57/31/857135731.db2.gz PTJNXBMCLADXHR-BDJLRTHQSA-N 1 1 397.859 3.872 20 5 GHBDMO COc1ccc(C2CC[NH+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)nc1 ZINC000593042060 857195721 /nfs/dbraw/zinc/19/57/21/857195721.db2.gz XCJMTSKDKMQYFW-UHFFFAOYSA-N 1 1 375.400 3.526 20 5 GHBDMO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000485975408 857286741 /nfs/dbraw/zinc/28/67/41/857286741.db2.gz IZYCZNPZJXGTPG-GUYCJALGSA-N 1 1 382.798 3.966 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000485975408 857286772 /nfs/dbraw/zinc/28/67/72/857286772.db2.gz IZYCZNPZJXGTPG-GUYCJALGSA-N 1 1 382.798 3.966 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246437650 857379354 /nfs/dbraw/zinc/37/93/54/857379354.db2.gz NERYLHXCUAOYHP-SUMWQHHRSA-N 1 1 381.423 3.645 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134249656 862909381 /nfs/dbraw/zinc/90/93/81/862909381.db2.gz UMDXCEXQWHCXHN-UHFFFAOYSA-N 1 1 385.439 3.718 20 5 GHBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000121006141 857633158 /nfs/dbraw/zinc/63/31/58/857633158.db2.gz YCNDFONXEZGRLN-OAHLLOKOSA-N 1 1 387.436 3.805 20 5 GHBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000027211765 857650254 /nfs/dbraw/zinc/65/02/54/857650254.db2.gz MVINDEJSKKQJQT-CYBMUJFWSA-N 1 1 375.400 3.510 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000027211765 857650259 /nfs/dbraw/zinc/65/02/59/857650259.db2.gz MVINDEJSKKQJQT-CYBMUJFWSA-N 1 1 375.400 3.510 20 5 GHBDMO CSc1cccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000486432648 857732905 /nfs/dbraw/zinc/73/29/05/857732905.db2.gz LKTQXRCCYBJQOY-HNNXBMFYSA-N 1 1 385.489 3.663 20 5 GHBDMO CSc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000486432648 857732910 /nfs/dbraw/zinc/73/29/10/857732910.db2.gz LKTQXRCCYBJQOY-HNNXBMFYSA-N 1 1 385.489 3.663 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCO)[C@@H]3CCCc4ccccc43)n2)c1 ZINC000114192881 857935670 /nfs/dbraw/zinc/93/56/70/857935670.db2.gz BLMOYWVXVWSEKU-LJQANCHMSA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCO)[C@@H]3CCCc4ccccc43)n2)c1 ZINC000114192881 857935674 /nfs/dbraw/zinc/93/56/74/857935674.db2.gz BLMOYWVXVWSEKU-LJQANCHMSA-N 1 1 394.431 3.517 20 5 GHBDMO CC[N@@H+](C)[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000486733987 858037207 /nfs/dbraw/zinc/03/72/07/858037207.db2.gz TZIMNLDINHDRQC-KRWDZBQOSA-N 1 1 395.381 3.923 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000555009836 858316090 /nfs/dbraw/zinc/31/60/90/858316090.db2.gz XTGWADPVEJOVHB-CYBMUJFWSA-N 1 1 388.493 3.787 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000555009836 858316095 /nfs/dbraw/zinc/31/60/95/858316095.db2.gz XTGWADPVEJOVHB-CYBMUJFWSA-N 1 1 388.493 3.787 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC000595024558 858354922 /nfs/dbraw/zinc/35/49/22/858354922.db2.gz AKMPZOJJWZHWEC-WFASDCNBSA-N 1 1 392.481 3.764 20 5 GHBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000574885770 858385081 /nfs/dbraw/zinc/38/50/81/858385081.db2.gz VWCYHPZPULSOHE-IBGZPJMESA-N 1 1 389.452 3.520 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000765973028 858428008 /nfs/dbraw/zinc/42/80/08/858428008.db2.gz VCLKMXBDNBQQAN-GOEBONIOSA-N 1 1 390.461 3.876 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000765973028 858428011 /nfs/dbraw/zinc/42/80/11/858428011.db2.gz VCLKMXBDNBQQAN-GOEBONIOSA-N 1 1 390.461 3.876 20 5 GHBDMO CCNc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1[N+](=O)[O-] ZINC000543129922 858531338 /nfs/dbraw/zinc/53/13/38/858531338.db2.gz SKSXQCGMMNFKSJ-UHFFFAOYSA-N 1 1 389.481 3.502 20 5 GHBDMO CCNc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1[N+](=O)[O-] ZINC000543129922 858531343 /nfs/dbraw/zinc/53/13/43/858531343.db2.gz SKSXQCGMMNFKSJ-UHFFFAOYSA-N 1 1 389.481 3.502 20 5 GHBDMO COC1CC[NH+](C2(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCCC2)CC1 ZINC000482644384 858718864 /nfs/dbraw/zinc/71/88/64/858718864.db2.gz DHBPULGNORTJDQ-KRWDZBQOSA-N 1 1 375.513 3.977 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482706987 858770464 /nfs/dbraw/zinc/77/04/64/858770464.db2.gz NQHWJWTWEBNIMY-INIZCTEOSA-N 1 1 379.464 3.568 20 5 GHBDMO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000466244859 858844219 /nfs/dbraw/zinc/84/42/19/858844219.db2.gz VZHGHWOFUDEUSH-AWEZNQCLSA-N 1 1 390.871 3.568 20 5 GHBDMO COc1ccc(C[C@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170326690 881364129 /nfs/dbraw/zinc/36/41/29/881364129.db2.gz BOWZJKSYSRAWLQ-AIADIJKESA-N 1 1 395.503 3.865 20 5 GHBDMO COc1ccc(C[C@H](C)[NH+]2CCN(C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170326690 881364137 /nfs/dbraw/zinc/36/41/37/881364137.db2.gz BOWZJKSYSRAWLQ-AIADIJKESA-N 1 1 395.503 3.865 20 5 GHBDMO COc1ccc(C[C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170326691 881364653 /nfs/dbraw/zinc/36/46/53/881364653.db2.gz BOWZJKSYSRAWLQ-MBNRZODZSA-N 1 1 395.503 3.865 20 5 GHBDMO COc1ccc(C[C@@H](C)[NH+]2CCN(C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170326691 881364672 /nfs/dbraw/zinc/36/46/72/881364672.db2.gz BOWZJKSYSRAWLQ-MBNRZODZSA-N 1 1 395.503 3.865 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328349 881365423 /nfs/dbraw/zinc/36/54/23/881365423.db2.gz JXXQPFGZGNWCPH-IIYDPXPESA-N 1 1 390.402 3.560 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)O1 ZINC000596613650 858968688 /nfs/dbraw/zinc/96/86/88/858968688.db2.gz FZZZLZPXRDRJJM-ACJLOTCBSA-N 1 1 398.394 3.746 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)O1 ZINC000596613650 858968698 /nfs/dbraw/zinc/96/86/98/858968698.db2.gz FZZZLZPXRDRJJM-ACJLOTCBSA-N 1 1 398.394 3.746 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494271914 881366268 /nfs/dbraw/zinc/36/62/68/881366268.db2.gz UTLRPGCSJWRRIY-MAUKXSAKSA-N 1 1 395.793 3.588 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170332931 881374894 /nfs/dbraw/zinc/37/48/94/881374894.db2.gz JYAQUDJSYIUJJJ-NNZMDNLPSA-N 1 1 395.459 3.989 20 5 GHBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487757312 881380474 /nfs/dbraw/zinc/38/04/74/881380474.db2.gz ZBELOZKZJCPMMC-OAHLLOKOSA-N 1 1 385.489 3.912 20 5 GHBDMO C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248550953 859182107 /nfs/dbraw/zinc/18/21/07/859182107.db2.gz GMWKECZKVKTZGT-KKUMJFAQSA-N 1 1 377.460 3.607 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])c1 ZINC001170354315 881392740 /nfs/dbraw/zinc/39/27/40/881392740.db2.gz IOKQRBXKHYNJDS-MRXNPFEDSA-N 1 1 380.448 3.852 20 5 GHBDMO COc1ccc(C[C@H](C)N2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001170355291 881403518 /nfs/dbraw/zinc/40/35/18/881403518.db2.gz YZRLWJBDEWRBFY-WGGBDISSSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001170355291 881403580 /nfs/dbraw/zinc/40/35/80/881403580.db2.gz YZRLWJBDEWRBFY-WGGBDISSSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001170355291 881403639 /nfs/dbraw/zinc/40/36/39/881403639.db2.gz YZRLWJBDEWRBFY-WGGBDISSSA-N 1 1 395.503 3.741 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000060475178 859323998 /nfs/dbraw/zinc/32/39/98/859323998.db2.gz ZJMIZRIUHGMBMB-QGZVFWFLSA-N 1 1 397.475 3.522 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597231135 859365495 /nfs/dbraw/zinc/36/54/95/859365495.db2.gz NWYCYVTZZJCQEE-RBUKOAKNSA-N 1 1 398.459 3.651 20 5 GHBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000611113227 859610791 /nfs/dbraw/zinc/61/07/91/859610791.db2.gz WKLRVNWHOSNASX-CQSZACIVSA-N 1 1 385.247 3.773 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[N@H+]1C ZINC000611209349 859644733 /nfs/dbraw/zinc/64/47/33/859644733.db2.gz UBGFHBVCWYOCDG-UONOGXRCSA-N 1 1 377.510 3.842 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](OCCCc3ccccc3)C1)OCCO2 ZINC000611276021 859678276 /nfs/dbraw/zinc/67/82/76/859678276.db2.gz ZGQIDJAGBFJLRN-LJQANCHMSA-N 1 1 398.459 3.590 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](OCCCc3ccccc3)C1)OCCO2 ZINC000611276021 859678277 /nfs/dbraw/zinc/67/82/77/859678277.db2.gz ZGQIDJAGBFJLRN-LJQANCHMSA-N 1 1 398.459 3.590 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552067333 859686469 /nfs/dbraw/zinc/68/64/69/859686469.db2.gz HDHLGKTYXYLGPD-DQVLVPHSSA-N 1 1 392.459 3.755 20 5 GHBDMO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000611379895 859728975 /nfs/dbraw/zinc/72/89/75/859728975.db2.gz KEESMZMDXFKORV-INIZCTEOSA-N 1 1 391.855 3.614 20 5 GHBDMO C[N@@H+](CCOc1cccc(CNc2sccc2[N+](=O)[O-])c1)C1CCOCC1 ZINC000611411986 859746029 /nfs/dbraw/zinc/74/60/29/859746029.db2.gz AVVKTZPZEMVUMK-UHFFFAOYSA-N 1 1 391.493 3.758 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000092004112 859973189 /nfs/dbraw/zinc/97/31/89/859973189.db2.gz UUOQXBCITJSQKK-UKTKYZJWSA-N 1 1 380.448 3.662 20 5 GHBDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000121166265 860015750 /nfs/dbraw/zinc/01/57/50/860015750.db2.gz WMKIUXOZBQENPN-UHFFFAOYSA-N 1 1 379.416 3.846 20 5 GHBDMO C[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001127883966 860029966 /nfs/dbraw/zinc/02/99/66/860029966.db2.gz XPRNDCVTBNDOAR-GOEBONIOSA-N 1 1 396.491 3.713 20 5 GHBDMO CCNC(=O)c1cccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000602522215 860075454 /nfs/dbraw/zinc/07/54/54/860075454.db2.gz RNMLYSQTUXHHKI-UHFFFAOYSA-N 1 1 381.354 3.653 20 5 GHBDMO Cc1ccsc1[C@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602562186 860114132 /nfs/dbraw/zinc/11/41/32/860114132.db2.gz IHFGARQQVZZHPJ-JTQLQIEISA-N 1 1 377.285 3.612 20 5 GHBDMO COc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000484645419 860217358 /nfs/dbraw/zinc/21/73/58/860217358.db2.gz RPKPKDLEYYVFKK-LBPRGKRZSA-N 1 1 377.828 3.888 20 5 GHBDMO COc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000484645419 860217371 /nfs/dbraw/zinc/21/73/71/860217371.db2.gz RPKPKDLEYYVFKK-LBPRGKRZSA-N 1 1 377.828 3.888 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646810 860324054 /nfs/dbraw/zinc/32/40/54/860324054.db2.gz KUCPFHGLZPPBKJ-MJGOQNOKSA-N 1 1 392.477 3.642 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646810 860324057 /nfs/dbraw/zinc/32/40/57/860324057.db2.gz KUCPFHGLZPPBKJ-MJGOQNOKSA-N 1 1 392.477 3.642 20 5 GHBDMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000484790986 860350676 /nfs/dbraw/zinc/35/06/76/860350676.db2.gz MDVJAOGAMWLYAX-KRWDZBQOSA-N 1 1 396.472 3.514 20 5 GHBDMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000484790986 860350682 /nfs/dbraw/zinc/35/06/82/860350682.db2.gz MDVJAOGAMWLYAX-KRWDZBQOSA-N 1 1 396.472 3.514 20 5 GHBDMO COc1cc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000301332223 860455328 /nfs/dbraw/zinc/45/53/28/860455328.db2.gz BMPNFJCDCOMLGS-IYBDPMFKSA-N 1 1 385.464 3.825 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccncc3[N+](=O)[O-])cc2)C1 ZINC000124683386 860468681 /nfs/dbraw/zinc/46/86/81/860468681.db2.gz DZGIWQJWMCLTIH-OAHLLOKOSA-N 1 1 383.452 3.543 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000484912681 860482132 /nfs/dbraw/zinc/48/21/32/860482132.db2.gz SPBHJKYXVOCKNH-IBGZPJMESA-N 1 1 381.476 3.935 20 5 GHBDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000552407846 860523577 /nfs/dbraw/zinc/52/35/77/860523577.db2.gz HDGBCKRHAFWAPI-IBGZPJMESA-N 1 1 375.494 3.949 20 5 GHBDMO Cc1cc(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000025536289 860534595 /nfs/dbraw/zinc/53/45/95/860534595.db2.gz OCVQRJZMVDFUHX-NRFANRHFSA-N 1 1 381.476 3.716 20 5 GHBDMO Cc1c(Br)cc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000125493792 860685683 /nfs/dbraw/zinc/68/56/83/860685683.db2.gz QEWHHRPCVMTVRN-AWEZNQCLSA-N 1 1 398.301 3.612 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000474779501 860763877 /nfs/dbraw/zinc/76/38/77/860763877.db2.gz JAGYRNGQHTUEIN-IUODEOHRSA-N 1 1 391.269 4.000 20 5 GHBDMO Cc1cc(N2CCC(Nc3ccc4cnccc4c3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000599062783 860770246 /nfs/dbraw/zinc/77/02/46/860770246.db2.gz SLLNSFFWRCONJG-UHFFFAOYSA-N 1 1 378.436 3.631 20 5 GHBDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000603603838 860891356 /nfs/dbraw/zinc/89/13/56/860891356.db2.gz XQFRAYFBADYYPR-CFLQYTFWSA-N 1 1 386.448 3.716 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599204147 860917681 /nfs/dbraw/zinc/91/76/81/860917681.db2.gz SSJJVSAGPYJXTM-FXAWDEMLSA-N 1 1 386.496 3.501 20 5 GHBDMO CC(C)C[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCc2cccnc21 ZINC000127897525 881617794 /nfs/dbraw/zinc/61/77/94/881617794.db2.gz OBNZSBFIPXCJCD-QGZVFWFLSA-N 1 1 396.447 3.891 20 5 GHBDMO CC(C)C[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCc2cccnc21 ZINC000127897525 881617797 /nfs/dbraw/zinc/61/77/97/881617797.db2.gz OBNZSBFIPXCJCD-QGZVFWFLSA-N 1 1 396.447 3.891 20 5 GHBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444004935 863132925 /nfs/dbraw/zinc/13/29/25/863132925.db2.gz TXFVMESGSYGDBA-GASCZTMLSA-N 1 1 395.478 3.813 20 5 GHBDMO CN(C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000172020739 863134046 /nfs/dbraw/zinc/13/40/46/863134046.db2.gz UVMZQKHCBCEQQH-ZDUSSCGKSA-N 1 1 383.876 3.937 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000172020739 863134052 /nfs/dbraw/zinc/13/40/52/863134052.db2.gz UVMZQKHCBCEQQH-ZDUSSCGKSA-N 1 1 383.876 3.937 20 5 GHBDMO C[C@@]1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCC[N@H+]1Cc1ccccc1 ZINC000428322209 863172181 /nfs/dbraw/zinc/17/21/81/863172181.db2.gz DEVLHMXZORLLRF-QFIPXVFZSA-N 1 1 392.459 3.861 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000482472055 863180916 /nfs/dbraw/zinc/18/09/16/863180916.db2.gz WNNLXLIZSWKPLT-NRFANRHFSA-N 1 1 392.459 3.717 20 5 GHBDMO CC[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000522876173 863622919 /nfs/dbraw/zinc/62/29/19/863622919.db2.gz YGRYURDCGHWWPT-GOSISDBHSA-N 1 1 387.867 3.815 20 5 GHBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444223176 863700302 /nfs/dbraw/zinc/70/03/02/863700302.db2.gz HZJGLOSOYZXUGH-HNNXBMFYSA-N 1 1 395.478 3.528 20 5 GHBDMO COc1cc(CNC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000494431581 881710680 /nfs/dbraw/zinc/71/06/80/881710680.db2.gz QHFJYKIZBCOOSG-JOCHJYFZSA-N 1 1 399.491 3.756 20 5 GHBDMO COc1cc(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000494431581 881710693 /nfs/dbraw/zinc/71/06/93/881710693.db2.gz QHFJYKIZBCOOSG-JOCHJYFZSA-N 1 1 399.491 3.756 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000475103994 864203346 /nfs/dbraw/zinc/20/33/46/864203346.db2.gz OFINWXFQRCXKQV-SINXNMPMSA-N 1 1 396.443 3.824 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000734843089 864472633 /nfs/dbraw/zinc/47/26/33/864472633.db2.gz GWBDQKWGKBSOGR-HOTGVXAUSA-N 1 1 388.773 3.872 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792881496 881769171 /nfs/dbraw/zinc/76/91/71/881769171.db2.gz MWGVRNUXHZUESJ-FQEVSTJZSA-N 1 1 398.463 3.893 20 5 GHBDMO Cc1c(Cl)cccc1N1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000792887610 881773961 /nfs/dbraw/zinc/77/39/61/881773961.db2.gz JAQZEWHCRWRJAI-HXUWFJFHSA-N 1 1 389.883 3.802 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475288234 864719608 /nfs/dbraw/zinc/71/96/08/864719608.db2.gz XVPWWGJCXXSQHJ-YLJYHZDGSA-N 1 1 396.491 3.880 20 5 GHBDMO O=C(CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1)NC1CCCC1 ZINC000735491003 864812788 /nfs/dbraw/zinc/81/27/88/864812788.db2.gz ZOSKKFSMICBDQF-UHFFFAOYSA-N 1 1 379.888 3.909 20 5 GHBDMO O=C(OC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000735888420 865032729 /nfs/dbraw/zinc/03/27/29/865032729.db2.gz CKXRDXBOYNTPHP-AWEZNQCLSA-N 1 1 390.386 3.942 20 5 GHBDMO C[C@H]([NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480797709 865290700 /nfs/dbraw/zinc/29/07/00/865290700.db2.gz QJLZIKPNZCCLTB-AVRDEDQJSA-N 1 1 382.508 3.624 20 5 GHBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000899134576 865336033 /nfs/dbraw/zinc/33/60/33/865336033.db2.gz MPKPKARXMVXXNW-VIFPVBQESA-N 1 1 378.231 3.502 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)c2c(c1)COCO2 ZINC000829040905 865381874 /nfs/dbraw/zinc/38/18/74/865381874.db2.gz UDYQXPLTMKYCIQ-CQSZACIVSA-N 1 1 394.431 3.717 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000737677804 865416034 /nfs/dbraw/zinc/41/60/34/865416034.db2.gz GAVUCKNHEPFUPF-NVXWUHKLSA-N 1 1 385.439 3.859 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCS[C@H](c4ccccc4)C3)n2)c1 ZINC000738246672 865518249 /nfs/dbraw/zinc/51/82/49/865518249.db2.gz URDLZJVTBFBBDC-SFHVURJKSA-N 1 1 381.461 3.601 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCS[C@H](c4ccccc4)C3)n2)c1 ZINC000738246672 865518257 /nfs/dbraw/zinc/51/82/57/865518257.db2.gz URDLZJVTBFBBDC-SFHVURJKSA-N 1 1 381.461 3.601 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC2(CCCCC2)CC1 ZINC000608833506 865735516 /nfs/dbraw/zinc/73/55/16/865735516.db2.gz LPKZKTKACHDXDQ-HNNXBMFYSA-N 1 1 375.469 3.977 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000608833299 865736850 /nfs/dbraw/zinc/73/68/50/865736850.db2.gz JSIDOZRQLCIQES-OAHLLOKOSA-N 1 1 375.469 3.977 20 5 GHBDMO Cc1c(Br)cccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000534178596 866238171 /nfs/dbraw/zinc/23/81/71/866238171.db2.gz XOZVAVVPNDGBTE-AWEZNQCLSA-N 1 1 391.269 3.747 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ccccc1Cl ZINC000534248396 866373913 /nfs/dbraw/zinc/37/39/13/866373913.db2.gz WDFJLTXSYITKJJ-KRWDZBQOSA-N 1 1 386.839 3.762 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456327632 866446883 /nfs/dbraw/zinc/44/68/83/866446883.db2.gz HSNXGVFDVPLNTE-INIZCTEOSA-N 1 1 392.459 3.670 20 5 GHBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000367711450 866484585 /nfs/dbraw/zinc/48/45/85/866484585.db2.gz YEMVLDABPCFUMH-CQSZACIVSA-N 1 1 389.839 3.738 20 5 GHBDMO Cc1ccc(C[C@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000742149577 867104423 /nfs/dbraw/zinc/10/44/23/867104423.db2.gz MELYSNABSZCNJH-LJQANCHMSA-N 1 1 377.448 3.826 20 5 GHBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000742391779 867256511 /nfs/dbraw/zinc/25/65/11/867256511.db2.gz RXBSJCKBAPMUBN-QGZVFWFLSA-N 1 1 396.447 3.628 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000743459630 868212145 /nfs/dbraw/zinc/21/21/45/868212145.db2.gz IXVSQAAYBGKIKI-QGZVFWFLSA-N 1 1 384.436 3.851 20 5 GHBDMO C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000121554971 868310917 /nfs/dbraw/zinc/31/09/17/868310917.db2.gz ITSZDBGXFSTMAZ-GOSISDBHSA-N 1 1 381.476 3.650 20 5 GHBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000479683898 868330564 /nfs/dbraw/zinc/33/05/64/868330564.db2.gz AGGVIVJZENBRCG-OXJNMPFZSA-N 1 1 396.491 3.756 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000523977927 868336606 /nfs/dbraw/zinc/33/66/06/868336606.db2.gz SBGRCHDPEGBYDR-CQSZACIVSA-N 1 1 397.903 3.644 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000445535025 868613474 /nfs/dbraw/zinc/61/34/74/868613474.db2.gz ZSNPGMJPGGCSNL-INIZCTEOSA-N 1 1 385.439 3.951 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000445535025 868613481 /nfs/dbraw/zinc/61/34/81/868613481.db2.gz ZSNPGMJPGGCSNL-INIZCTEOSA-N 1 1 385.439 3.951 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000524201457 868696932 /nfs/dbraw/zinc/69/69/32/868696932.db2.gz NCMRWTGDFNGGHA-ZBFHGGJFSA-N 1 1 378.432 3.641 20 5 GHBDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000535459338 868814171 /nfs/dbraw/zinc/81/41/71/868814171.db2.gz NIMDIIAXUUDIIG-UHFFFAOYSA-N 1 1 381.436 3.955 20 5 GHBDMO O=C(NCc1ccccc1)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163278737 868918834 /nfs/dbraw/zinc/91/88/34/868918834.db2.gz GPSDJXHOVADWNN-UHFFFAOYSA-N 1 1 387.867 3.777 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462414440 869395922 /nfs/dbraw/zinc/39/59/22/869395922.db2.gz LZUFOXUJQZDMEE-PMACEKPBSA-N 1 1 381.476 3.554 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c[nH]nc3-c3cccc(Cl)c3)nc2c1 ZINC000446826331 870482709 /nfs/dbraw/zinc/48/27/09/870482709.db2.gz IGJWSAOWYYBBOM-UHFFFAOYSA-N 1 1 382.811 3.804 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccccc3OCc3cccnc3)nc2c1 ZINC000446854554 870587848 /nfs/dbraw/zinc/58/78/48/870587848.db2.gz ABZQRXZNYWPRTQ-UHFFFAOYSA-N 1 1 389.415 3.735 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000461601007 870606445 /nfs/dbraw/zinc/60/64/45/870606445.db2.gz KFSUNLFBPJVOAG-UHFFFAOYSA-N 1 1 383.448 3.849 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000462992779 870639605 /nfs/dbraw/zinc/63/96/05/870639605.db2.gz NJEXOHSPLMJUMN-SFHVURJKSA-N 1 1 396.491 3.621 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CCCC[N@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169011557 871094120 /nfs/dbraw/zinc/09/41/20/871094120.db2.gz KYAYDTCZINXGSL-IRXDYDNUSA-N 1 1 381.517 3.687 20 5 GHBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000181691738 871376231 /nfs/dbraw/zinc/37/62/31/871376231.db2.gz GCVBDPSDOPEEJT-UHFFFAOYSA-N 1 1 376.482 3.763 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000069690107 871393403 /nfs/dbraw/zinc/39/34/03/871393403.db2.gz SUNKJIGTEWHMCY-IBGZPJMESA-N 1 1 393.447 3.527 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000618445674 871629919 /nfs/dbraw/zinc/62/99/19/871629919.db2.gz ULSSFYAVXLLTKP-UHFFFAOYSA-N 1 1 384.823 3.981 20 5 GHBDMO Cn1ccnc1[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552034179 871641673 /nfs/dbraw/zinc/64/16/73/871641673.db2.gz INSVOVPDUHQCBQ-OAQYLSRUSA-N 1 1 393.491 3.529 20 5 GHBDMO O=C1[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccccc1F ZINC001194466924 871706824 /nfs/dbraw/zinc/70/68/24/871706824.db2.gz MAYAYRJSUXRRMJ-OXJNMPFZSA-N 1 1 383.423 3.719 20 5 GHBDMO O=C1[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccccc1F ZINC001194466924 871706833 /nfs/dbraw/zinc/70/68/33/871706833.db2.gz MAYAYRJSUXRRMJ-OXJNMPFZSA-N 1 1 383.423 3.719 20 5 GHBDMO CC(C)C[N@@H+](CCc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000921058019 882554056 /nfs/dbraw/zinc/55/40/56/882554056.db2.gz SHGMMVXZKSCQHF-UHFFFAOYSA-N 1 1 381.274 3.712 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000447672292 872073470 /nfs/dbraw/zinc/07/34/70/872073470.db2.gz PMBZOQSGHZVZBU-UHFFFAOYSA-N 1 1 393.241 3.504 20 5 GHBDMO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767066566 872226644 /nfs/dbraw/zinc/22/66/44/872226644.db2.gz WZRGOIZULCLREM-SGTLLEGYSA-N 1 1 391.265 3.838 20 5 GHBDMO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767066566 872226660 /nfs/dbraw/zinc/22/66/60/872226660.db2.gz WZRGOIZULCLREM-SGTLLEGYSA-N 1 1 391.265 3.838 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768542302 873373207 /nfs/dbraw/zinc/37/32/07/873373207.db2.gz SDQPNAYFOORWTL-AWEZNQCLSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768542302 873373225 /nfs/dbraw/zinc/37/32/25/873373225.db2.gz SDQPNAYFOORWTL-AWEZNQCLSA-N 1 1 383.876 3.985 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000858014194 882721268 /nfs/dbraw/zinc/72/12/68/882721268.db2.gz IZRQYINLONRHTC-KRWDZBQOSA-N 1 1 399.447 3.538 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000858014194 882721280 /nfs/dbraw/zinc/72/12/80/882721280.db2.gz IZRQYINLONRHTC-KRWDZBQOSA-N 1 1 399.447 3.538 20 5 GHBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541422816 873534123 /nfs/dbraw/zinc/53/41/23/873534123.db2.gz IFZUGSCWPQXQPK-QGZVFWFLSA-N 1 1 382.464 3.718 20 5 GHBDMO COc1cc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c([N+](=O)[O-])cc1F ZINC000464482500 873939841 /nfs/dbraw/zinc/93/98/41/873939841.db2.gz ARBUMOSFRKIFMI-CYBMUJFWSA-N 1 1 379.457 3.683 20 5 GHBDMO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C1CCCC1 ZINC001197797352 874054426 /nfs/dbraw/zinc/05/44/26/874054426.db2.gz HUUORAQMMXBBPE-ZDUSSCGKSA-N 1 1 382.302 3.806 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775836718 874332707 /nfs/dbraw/zinc/33/27/07/874332707.db2.gz IJTKHRPCBICBRF-WZGPROSRSA-N 1 1 390.480 3.603 20 5 GHBDMO CCN(C(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000464784232 874489907 /nfs/dbraw/zinc/48/99/07/874489907.db2.gz CWMIGPYSIHLOMP-KRWDZBQOSA-N 1 1 397.475 3.880 20 5 GHBDMO Cc1sc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000129857720 874561936 /nfs/dbraw/zinc/56/19/36/874561936.db2.gz CHJGGBPBEBPIMC-WBMJQRKESA-N 1 1 379.507 3.839 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOC[C@H]3c3ccccc3)o2)c1 ZINC000464832139 874600941 /nfs/dbraw/zinc/60/09/41/874600941.db2.gz BTXAKSBPJDVFHV-IBGZPJMESA-N 1 1 379.416 3.866 20 5 GHBDMO Cc1cccc(C2=CC[N@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000770661440 874807340 /nfs/dbraw/zinc/80/73/40/874807340.db2.gz RZKPUFQXLYAQIN-UHFFFAOYSA-N 1 1 375.432 3.909 20 5 GHBDMO Cc1cccc(C2=CC[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000770661440 874807349 /nfs/dbraw/zinc/80/73/49/874807349.db2.gz RZKPUFQXLYAQIN-UHFFFAOYSA-N 1 1 375.432 3.909 20 5 GHBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)C(N)=O ZINC000449410508 874832831 /nfs/dbraw/zinc/83/28/31/874832831.db2.gz WUFAGDSLXJBQLB-HNNXBMFYSA-N 1 1 385.464 3.968 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000449465862 874920469 /nfs/dbraw/zinc/92/04/69/874920469.db2.gz FJQNTLVRVRZZIO-LJQANCHMSA-N 1 1 377.391 3.565 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000449465862 874920476 /nfs/dbraw/zinc/92/04/76/874920476.db2.gz FJQNTLVRVRZZIO-LJQANCHMSA-N 1 1 377.391 3.565 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449545454 875010358 /nfs/dbraw/zinc/01/03/58/875010358.db2.gz YTGREWKOIFHKCM-LIRRHRJNSA-N 1 1 382.407 3.868 20 5 GHBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CC=CCC1 ZINC000542252547 875226229 /nfs/dbraw/zinc/22/62/29/875226229.db2.gz JQJBLEIGZTXXHO-LBPRGKRZSA-N 1 1 382.258 3.584 20 5 GHBDMO Cc1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cc([N+](=O)[O-])c1 ZINC000465195538 875301441 /nfs/dbraw/zinc/30/14/41/875301441.db2.gz MJBVPNQCLRHVMY-HNNXBMFYSA-N 1 1 383.448 3.876 20 5 GHBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)C1 ZINC000465197308 875307247 /nfs/dbraw/zinc/30/72/47/875307247.db2.gz YBJXMUVEINSERK-AWEZNQCLSA-N 1 1 387.411 3.707 20 5 GHBDMO CC(C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H](O)c1ccc(F)cc1 ZINC000776099634 875338178 /nfs/dbraw/zinc/33/81/78/875338178.db2.gz BJCVJWYOYSNDOQ-LJQANCHMSA-N 1 1 386.427 3.802 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491382578 875661849 /nfs/dbraw/zinc/66/18/49/875661849.db2.gz QURHIRZSXSPDME-AEFFLSMTSA-N 1 1 382.464 3.935 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000450046119 875885126 /nfs/dbraw/zinc/88/51/26/875885126.db2.gz RCWZNLCRUNOYLT-UHFFFAOYSA-N 1 1 399.344 3.615 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)nc1 ZINC000492051641 876129885 /nfs/dbraw/zinc/12/98/85/876129885.db2.gz WKYRJTBFUQCLPM-AWEZNQCLSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)nc1 ZINC000492051641 876129889 /nfs/dbraw/zinc/12/98/89/876129889.db2.gz WKYRJTBFUQCLPM-AWEZNQCLSA-N 1 1 388.855 3.802 20 5 GHBDMO C[C@H](c1ccccc1Cl)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276970 876147994 /nfs/dbraw/zinc/14/79/94/876147994.db2.gz MONRDAQCHWWWGG-QRWLVFNGSA-N 1 1 389.883 3.660 20 5 GHBDMO COC(=O)c1nc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1Cl ZINC000850516509 876987426 /nfs/dbraw/zinc/98/74/26/876987426.db2.gz WSSKAJGLBUNJNP-MRXNPFEDSA-N 1 1 375.812 3.597 20 5 GHBDMO COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(OCc2cccnc2)c1 ZINC000443958295 877064270 /nfs/dbraw/zinc/06/42/70/877064270.db2.gz CTZCQWMNLDCTCD-UHFFFAOYSA-N 1 1 379.416 3.867 20 5 GHBDMO COc1cc(Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)c([N+](=O)[O-])cc1OC(F)F ZINC000450994242 877164526 /nfs/dbraw/zinc/16/45/26/877164526.db2.gz BTFWMPIBAPDZSY-GHMZBOCLSA-N 1 1 381.379 3.820 20 5 GHBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746660983 877227298 /nfs/dbraw/zinc/22/72/98/877227298.db2.gz DCWCQPGZLKQHGD-UHFFFAOYSA-N 1 1 393.484 3.695 20 5 GHBDMO COc1cc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000492654198 877252954 /nfs/dbraw/zinc/25/29/54/877252954.db2.gz GDDRQXRJESFKCE-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO COc1cc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000492654198 877252970 /nfs/dbraw/zinc/25/29/70/877252970.db2.gz GDDRQXRJESFKCE-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000451098597 877391052 /nfs/dbraw/zinc/39/10/52/877391052.db2.gz ISYVCOBEQGQXLN-NSHDSACASA-N 1 1 393.237 3.979 20 5 GHBDMO CCOc1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492774428 877527281 /nfs/dbraw/zinc/52/72/81/877527281.db2.gz QUMJTSKXHVMUPA-FQEVSTJZSA-N 1 1 383.492 3.947 20 5 GHBDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cc(F)ccc1F ZINC000179782493 878003424 /nfs/dbraw/zinc/00/34/24/878003424.db2.gz GKOCGCGZVYTFEA-OAHLLOKOSA-N 1 1 379.363 3.561 20 5 GHBDMO Cn1cc([C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C2(CO)CCC2)cn1 ZINC000852073018 878061226 /nfs/dbraw/zinc/06/12/26/878061226.db2.gz ODXREIKTOBWWLF-MRXNPFEDSA-N 1 1 399.278 3.629 20 5 GHBDMO Cc1noc(C[N@H+]2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852095198 878073804 /nfs/dbraw/zinc/07/38/04/878073804.db2.gz LLBYFPQIOAYKRR-CABCVRRESA-N 1 1 394.472 3.503 20 5 GHBDMO Cc1c(-c2cc(C[N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)on2)cnn1C ZINC000451554485 878139450 /nfs/dbraw/zinc/13/94/50/878139450.db2.gz ZZJSPRDFQJJUON-INIZCTEOSA-N 1 1 381.436 3.671 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581881 878200507 /nfs/dbraw/zinc/20/05/07/878200507.db2.gz IJSWBUSXODJGKX-OAQYLSRUSA-N 1 1 398.438 3.722 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581582 878200727 /nfs/dbraw/zinc/20/07/27/878200727.db2.gz KODIEHQTLAKUPF-NRFANRHFSA-N 1 1 399.422 3.987 20 5 GHBDMO C[C@H]([NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788633837 878225351 /nfs/dbraw/zinc/22/53/51/878225351.db2.gz VGMCZMUCRXGWIK-DVSDUFGPSA-N 1 1 382.508 3.984 20 5 GHBDMO C[C@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788633837 878225352 /nfs/dbraw/zinc/22/53/52/878225352.db2.gz VGMCZMUCRXGWIK-DVSDUFGPSA-N 1 1 382.508 3.984 20 5 GHBDMO C[C@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788633837 878225370 /nfs/dbraw/zinc/22/53/70/878225370.db2.gz VGMCZMUCRXGWIK-DVSDUFGPSA-N 1 1 382.508 3.984 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451631823 878235856 /nfs/dbraw/zinc/23/58/56/878235856.db2.gz WTBJIQGHDIMTBF-MJGOQNOKSA-N 1 1 387.480 3.513 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000776591703 878296992 /nfs/dbraw/zinc/29/69/92/878296992.db2.gz GCUMHPJBARSKFN-JOCHJYFZSA-N 1 1 395.434 3.907 20 5 GHBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@H](O)c4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC000776596505 878347730 /nfs/dbraw/zinc/34/77/30/878347730.db2.gz FWQJPVHRNFOETF-UZLBHIALSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@@H]3CCC[N@H+](C[C@H](O)c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000776596505 878347742 /nfs/dbraw/zinc/34/77/42/878347742.db2.gz FWQJPVHRNFOETF-UZLBHIALSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](C[C@H](O)c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000776596505 878347752 /nfs/dbraw/zinc/34/77/52/878347752.db2.gz FWQJPVHRNFOETF-UZLBHIALSA-N 1 1 380.448 3.693 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000853120779 878829643 /nfs/dbraw/zinc/82/96/43/878829643.db2.gz QFWMMWYUEFYWSA-RBBKRZOGSA-N 1 1 395.503 3.520 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000853120779 878829646 /nfs/dbraw/zinc/82/96/46/878829646.db2.gz QFWMMWYUEFYWSA-RBBKRZOGSA-N 1 1 395.503 3.520 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000180490260 878931602 /nfs/dbraw/zinc/93/16/02/878931602.db2.gz RTOKTBMOGFSITH-UHFFFAOYSA-N 1 1 381.354 3.781 20 5 GHBDMO CC(C)[N@H+]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000068799640 879057334 /nfs/dbraw/zinc/05/73/34/879057334.db2.gz SULFRCMAYWPAKK-UHFFFAOYSA-N 1 1 396.491 3.763 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+](CCc2cccc(F)c2)C2CC2)nc1-c1ccccn1 ZINC000853495097 879061045 /nfs/dbraw/zinc/06/10/45/879061045.db2.gz JLORFTJBHFTTGA-UHFFFAOYSA-N 1 1 381.411 3.657 20 5 GHBDMO C[N@@H+](C[C@@H]1CCc2ccccc21)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853609763 879163568 /nfs/dbraw/zinc/16/35/68/879163568.db2.gz MGZJACMEBYACLP-GHTZIAJQSA-N 1 1 379.460 3.530 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1)C(C)C ZINC000461413796 879806182 /nfs/dbraw/zinc/80/61/82/879806182.db2.gz FOPWMWWVHDUJNQ-UHFFFAOYSA-N 1 1 397.475 3.860 20 5 GHBDMO C[C@@H]1[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000494025231 879834631 /nfs/dbraw/zinc/83/46/31/879834631.db2.gz AIDWTXQYPULMCF-DYESRHJHSA-N 1 1 396.491 3.566 20 5 GHBDMO Cc1sc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461452693 879898913 /nfs/dbraw/zinc/89/89/13/879898913.db2.gz VWNHVHGECFWZNH-SJORKVTESA-N 1 1 385.489 3.559 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC000494129552 879960942 /nfs/dbraw/zinc/96/09/42/879960942.db2.gz YRVJPEUSXUSDIU-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000790928846 880069862 /nfs/dbraw/zinc/06/98/62/880069862.db2.gz ZABDFGNGOOPDOY-NVXWUHKLSA-N 1 1 385.439 3.683 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000286031123 912543526 /nfs/dbraw/zinc/54/35/26/912543526.db2.gz QIUQEPXBMXIJIU-GUDVDZBRSA-N 1 1 383.404 3.508 20 5 GHBDMO CCNc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000791979989 880819849 /nfs/dbraw/zinc/81/98/49/880819849.db2.gz JHVLAKWZKHVHIU-PXNSSMCTSA-N 1 1 394.475 3.783 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000113899628 880950705 /nfs/dbraw/zinc/95/07/05/880950705.db2.gz LNGCLSXCDWTRMQ-CABCVRRESA-N 1 1 379.888 3.975 20 5 GHBDMO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000537626621 881332715 /nfs/dbraw/zinc/33/27/15/881332715.db2.gz AQQZIOBSOCOGAM-UHFFFAOYSA-N 1 1 396.399 3.695 20 5 GHBDMO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000537626621 881332737 /nfs/dbraw/zinc/33/27/37/881332737.db2.gz AQQZIOBSOCOGAM-UHFFFAOYSA-N 1 1 396.399 3.695 20 5 GHBDMO Cc1ccc(NCCC[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804650136 883167791 /nfs/dbraw/zinc/16/77/91/883167791.db2.gz ALUKLQPGTUBGAM-CYBMUJFWSA-N 1 1 386.290 3.579 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000609530066 883319687 /nfs/dbraw/zinc/31/96/87/883319687.db2.gz MWHLKSXJESUMJD-KRWDZBQOSA-N 1 1 390.528 3.804 20 5 GHBDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000537695667 883396663 /nfs/dbraw/zinc/39/66/63/883396663.db2.gz AFVRRTBVFVXWBO-VFNWGFHPSA-N 1 1 392.459 3.819 20 5 GHBDMO COc1cc2c(cc1OC)CC[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000609705478 883562867 /nfs/dbraw/zinc/56/28/67/883562867.db2.gz IRZQIOWVUUEUPQ-UHFFFAOYSA-N 1 1 376.840 3.866 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000609767311 883623346 /nfs/dbraw/zinc/62/33/46/883623346.db2.gz XDFJCQNQOWKORU-OAHLLOKOSA-N 1 1 385.395 3.521 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000026231472 884219934 /nfs/dbraw/zinc/21/99/34/884219934.db2.gz DSBVHXIGISLTGL-OAHLLOKOSA-N 1 1 375.450 3.831 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccs1 ZINC000026231463 884220037 /nfs/dbraw/zinc/22/00/37/884220037.db2.gz MOKZNBQQDCEBNC-HNNXBMFYSA-N 1 1 375.450 3.831 20 5 GHBDMO COc1cccc([C@@H](O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000860136464 884354498 /nfs/dbraw/zinc/35/44/98/884354498.db2.gz ZWJYFAYWYIKZFU-NRFANRHFSA-N 1 1 386.448 3.558 20 5 GHBDMO C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+]1CCCC[C@@H]1C ZINC000498480879 884546481 /nfs/dbraw/zinc/54/64/81/884546481.db2.gz KZCKYNGSVGKMSR-UONOGXRCSA-N 1 1 388.493 3.711 20 5 GHBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000914776297 884763095 /nfs/dbraw/zinc/76/30/95/884763095.db2.gz URMSQGNBMGLKIN-HOTGVXAUSA-N 1 1 384.432 3.561 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)cn1 ZINC000761923565 884982133 /nfs/dbraw/zinc/98/21/33/884982133.db2.gz MOLXEZHCLUJYHI-UHFFFAOYSA-N 1 1 382.767 3.854 20 5 GHBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001126709107 885284814 /nfs/dbraw/zinc/28/48/14/885284814.db2.gz SLPOYSGRUZHGHZ-QFIPXVFZSA-N 1 1 397.450 3.862 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001131028608 885646472 /nfs/dbraw/zinc/64/64/72/885646472.db2.gz ZURKILNTYSJDOJ-OAQYLSRUSA-N 1 1 381.476 3.506 20 5 GHBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1csc2ccccc12 ZINC000532470449 885663092 /nfs/dbraw/zinc/66/30/92/885663092.db2.gz NEDHYXZZZRMLEE-UHFFFAOYSA-N 1 1 381.457 3.831 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1csc2ccccc12 ZINC000532470449 885663103 /nfs/dbraw/zinc/66/31/03/885663103.db2.gz NEDHYXZZZRMLEE-UHFFFAOYSA-N 1 1 381.457 3.831 20 5 GHBDMO C[C@]1(Cc2cccc(Cl)c2)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593049810 885737804 /nfs/dbraw/zinc/73/78/04/885737804.db2.gz OUMCRJIKPRHIBC-LJQANCHMSA-N 1 1 375.856 3.507 20 5 GHBDMO COCC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H](C)c1ccccc1 ZINC000532498533 885878822 /nfs/dbraw/zinc/87/88/22/885878822.db2.gz KNBUXOGPOARVEA-INIZCTEOSA-N 1 1 399.447 3.602 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556859124 886393049 /nfs/dbraw/zinc/39/30/49/886393049.db2.gz XSRNQJNHCIQASO-DYESRHJHSA-N 1 1 391.475 3.534 20 5 GHBDMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000556870501 886420815 /nfs/dbraw/zinc/42/08/15/886420815.db2.gz NXRBSOLCLQMTJV-GUDVDZBRSA-N 1 1 384.480 3.745 20 5 GHBDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537616070 886654455 /nfs/dbraw/zinc/65/44/55/886654455.db2.gz UYFKGSGQGSHTQG-OAHLLOKOSA-N 1 1 392.502 3.804 20 5 GHBDMO CSc1cccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000193783616 887483610 /nfs/dbraw/zinc/48/36/10/887483610.db2.gz ZJGFSXIIARYXFC-INIZCTEOSA-N 1 1 385.489 3.569 20 5 GHBDMO Cc1ccc([C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)c(C)c1 ZINC000794662677 887708860 /nfs/dbraw/zinc/70/88/60/887708860.db2.gz LWYVMRBOHFHZTL-SFHVURJKSA-N 1 1 377.448 3.917 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000120281313 888075363 /nfs/dbraw/zinc/07/53/63/888075363.db2.gz AVMFTKPUXPFCEY-UHFFFAOYSA-N 1 1 391.309 3.755 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2)Nc1cc([N+](=O)[O-])ccc1F ZINC000810047392 888094332 /nfs/dbraw/zinc/09/43/32/888094332.db2.gz SQQAGRZNTNYMRQ-OAQYLSRUSA-N 1 1 399.422 3.532 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C(F)F)c1 ZINC000865668667 888506987 /nfs/dbraw/zinc/50/69/87/888506987.db2.gz OOAHHJJPWFLJPV-INIZCTEOSA-N 1 1 377.391 3.711 20 5 GHBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000865700801 888523795 /nfs/dbraw/zinc/52/37/95/888523795.db2.gz YWRVDTRFGFQQAC-YQQQUEKLSA-N 1 1 397.450 3.588 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC000866559716 888934493 /nfs/dbraw/zinc/93/44/93/888934493.db2.gz HAAUDXSJEGWRKL-CYBMUJFWSA-N 1 1 380.370 3.924 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000454390074 888951028 /nfs/dbraw/zinc/95/10/28/888951028.db2.gz ZZSQJYFKMUTQDF-FRQCXROJSA-N 1 1 382.464 3.791 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454390060 888951105 /nfs/dbraw/zinc/95/11/05/888951105.db2.gz ZZSQJYFKMUTQDF-BXWFABGCSA-N 1 1 382.464 3.791 20 5 GHBDMO CCOC[C@H](C)[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000488133903 889161655 /nfs/dbraw/zinc/16/16/55/889161655.db2.gz YPXFFLMWNGIABO-UGSOOPFHSA-N 1 1 391.855 3.943 20 5 GHBDMO COCC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000811473319 889657396 /nfs/dbraw/zinc/65/73/96/889657396.db2.gz VPYXIRXGOQHRAF-UHFFFAOYSA-N 1 1 398.246 3.776 20 5 GHBDMO CN(C)C(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000811472911 889657658 /nfs/dbraw/zinc/65/76/58/889657658.db2.gz LXMJRXHMCAXLFO-UHFFFAOYSA-N 1 1 382.247 3.893 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000811479719 889667552 /nfs/dbraw/zinc/66/75/52/889667552.db2.gz JSAOJNGUOOMEOE-HNNXBMFYSA-N 1 1 388.295 3.635 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000796146659 913371194 /nfs/dbraw/zinc/37/11/94/913371194.db2.gz RZAFRZMVDWKNDK-NSHDSACASA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000796146659 913371230 /nfs/dbraw/zinc/37/12/30/913371230.db2.gz RZAFRZMVDWKNDK-NSHDSACASA-N 1 1 393.793 3.529 20 5 GHBDMO Cc1c(Br)cc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000533117493 889811368 /nfs/dbraw/zinc/81/13/68/889811368.db2.gz JKOBRGMWDJLYJA-UHFFFAOYSA-N 1 1 398.301 3.612 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC001132988891 889912473 /nfs/dbraw/zinc/91/24/73/889912473.db2.gz PVTKCYPVLNOTSC-UHFFFAOYSA-N 1 1 379.526 3.899 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC001132988891 889912481 /nfs/dbraw/zinc/91/24/81/889912481.db2.gz PVTKCYPVLNOTSC-UHFFFAOYSA-N 1 1 379.526 3.899 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454969200 890079030 /nfs/dbraw/zinc/07/90/30/890079030.db2.gz YVYLWAYHOVPWOB-TWOQFEAHSA-N 1 1 382.464 3.618 20 5 GHBDMO CN(C(=O)C[NH+]1CCC(OCC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000533291628 890207863 /nfs/dbraw/zinc/20/78/63/890207863.db2.gz QRGXLUKGCOUENY-UHFFFAOYSA-N 1 1 389.496 3.619 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000795131126 890417113 /nfs/dbraw/zinc/41/71/13/890417113.db2.gz MJGHPZZUDKKBOE-XJKSGUPXSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000795131126 890417116 /nfs/dbraw/zinc/41/71/16/890417116.db2.gz MJGHPZZUDKKBOE-XJKSGUPXSA-N 1 1 379.432 3.565 20 5 GHBDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1C ZINC000533431036 890549290 /nfs/dbraw/zinc/54/92/90/890549290.db2.gz WAZZCWLBBRXOLL-KRWDZBQOSA-N 1 1 397.431 3.716 20 5 GHBDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1C ZINC000533431036 890549297 /nfs/dbraw/zinc/54/92/97/890549297.db2.gz WAZZCWLBBRXOLL-KRWDZBQOSA-N 1 1 397.431 3.716 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812848560 891039963 /nfs/dbraw/zinc/03/99/63/891039963.db2.gz KWSQXPJXPKCNSQ-KUHUBIRLSA-N 1 1 382.420 3.589 20 5 GHBDMO COc1cc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])ccc1OCCO ZINC000872026905 891124322 /nfs/dbraw/zinc/12/43/22/891124322.db2.gz IWJWIRDRGBHVJW-OLZOCXBDSA-N 1 1 378.400 3.525 20 5 GHBDMO COc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c(Cl)c1 ZINC000813172656 891331662 /nfs/dbraw/zinc/33/16/62/891331662.db2.gz PQEJUIIODGHYIK-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO COc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c(Cl)c1 ZINC000813172656 891331678 /nfs/dbraw/zinc/33/16/78/891331678.db2.gz PQEJUIIODGHYIK-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CSc2ccccc21 ZINC000813172924 891331711 /nfs/dbraw/zinc/33/17/11/891331711.db2.gz SYDQGSLLMLQNGF-WMZOPIPTSA-N 1 1 384.457 3.602 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CSc2ccccc21 ZINC000813172924 891331729 /nfs/dbraw/zinc/33/17/29/891331729.db2.gz SYDQGSLLMLQNGF-WMZOPIPTSA-N 1 1 384.457 3.602 20 5 GHBDMO O=C(CCc1c[nH]c2ccccc12)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171388 891331762 /nfs/dbraw/zinc/33/17/62/891331762.db2.gz JVICVBMNYACXAW-IBGZPJMESA-N 1 1 393.443 3.826 20 5 GHBDMO O=C(CCc1c[nH]c2ccccc12)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171388 891331774 /nfs/dbraw/zinc/33/17/74/891331774.db2.gz JVICVBMNYACXAW-IBGZPJMESA-N 1 1 393.443 3.826 20 5 GHBDMO Cc1noc(C)c1[C@H](C)CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171253 891331951 /nfs/dbraw/zinc/33/19/51/891331951.db2.gz HPXVHJQCYXURLS-ACJLOTCBSA-N 1 1 387.436 3.511 20 5 GHBDMO Cc1noc(C)c1[C@H](C)CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171253 891331966 /nfs/dbraw/zinc/33/19/66/891331966.db2.gz HPXVHJQCYXURLS-ACJLOTCBSA-N 1 1 387.436 3.511 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cncc2ccccc21 ZINC000813173306 891336581 /nfs/dbraw/zinc/33/65/81/891336581.db2.gz YKDJWBQTOLYKHU-SFHVURJKSA-N 1 1 377.400 3.574 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cncc2ccccc21 ZINC000813173306 891336597 /nfs/dbraw/zinc/33/65/97/891336597.db2.gz YKDJWBQTOLYKHU-SFHVURJKSA-N 1 1 377.400 3.574 20 5 GHBDMO Cc1cc2c(cc1C)[C@H](C(=O)O[C@H]1CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C1)CO2 ZINC000813174261 891336989 /nfs/dbraw/zinc/33/69/89/891336989.db2.gz VBGHWTUATUDQIA-AZUAARDMSA-N 1 1 396.443 3.505 20 5 GHBDMO Cc1cc2c(cc1C)[C@H](C(=O)O[C@H]1CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C1)CO2 ZINC000813174261 891337002 /nfs/dbraw/zinc/33/70/02/891337002.db2.gz VBGHWTUATUDQIA-AZUAARDMSA-N 1 1 396.443 3.505 20 5 GHBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000497569101 891910394 /nfs/dbraw/zinc/91/03/94/891910394.db2.gz DDBDNKFDISQSTM-HNNXBMFYSA-N 1 1 384.436 3.945 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825732580 892139697 /nfs/dbraw/zinc/13/96/97/892139697.db2.gz YDKPTZGPPAYCRL-INIZCTEOSA-N 1 1 387.867 3.543 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000016587436 892350311 /nfs/dbraw/zinc/35/03/11/892350311.db2.gz SLZDICUJJJQGCK-LBPRGKRZSA-N 1 1 379.363 3.655 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000016587436 892350330 /nfs/dbraw/zinc/35/03/30/892350330.db2.gz SLZDICUJJJQGCK-LBPRGKRZSA-N 1 1 379.363 3.655 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000533783886 892948123 /nfs/dbraw/zinc/94/81/23/892948123.db2.gz MSGAGWLYXPXGCN-GOSISDBHSA-N 1 1 395.381 3.663 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000933458038 893048259 /nfs/dbraw/zinc/04/82/59/893048259.db2.gz WXPWDUTZTGVDJR-QEEHTWDDSA-N 1 1 399.516 3.959 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000533828812 893154125 /nfs/dbraw/zinc/15/41/25/893154125.db2.gz MXQJORFGJMXAIH-QGZVFWFLSA-N 1 1 394.456 3.635 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000533828812 893154129 /nfs/dbraw/zinc/15/41/29/893154129.db2.gz MXQJORFGJMXAIH-QGZVFWFLSA-N 1 1 394.456 3.635 20 5 GHBDMO C[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000498149258 893409810 /nfs/dbraw/zinc/40/98/10/893409810.db2.gz GTFXMQJKQUYSIU-VFNWGFHPSA-N 1 1 397.500 3.616 20 5 GHBDMO C[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000498149258 893409821 /nfs/dbraw/zinc/40/98/21/893409821.db2.gz GTFXMQJKQUYSIU-VFNWGFHPSA-N 1 1 397.500 3.616 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498188727 893529126 /nfs/dbraw/zinc/52/91/26/893529126.db2.gz YAFOAUABWIYFDU-WBVHZDCISA-N 1 1 390.443 3.708 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000459654367 893992725 /nfs/dbraw/zinc/99/27/25/893992725.db2.gz FKQFLEPWIKSVQK-INIZCTEOSA-N 1 1 388.386 3.784 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cccc1[N+](=O)[O-] ZINC000537037673 894245767 /nfs/dbraw/zinc/24/57/67/894245767.db2.gz UPXSBRORPABRHU-INIZCTEOSA-N 1 1 396.491 3.979 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000537076444 894300157 /nfs/dbraw/zinc/30/01/57/894300157.db2.gz FOLYCGYIUNVQHD-OAHLLOKOSA-N 1 1 397.353 3.825 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH+]2CCC([C@@H]3CCCO3)CC2)o1 ZINC000878483528 894325711 /nfs/dbraw/zinc/32/57/11/894325711.db2.gz NFJJPGVADZASDB-INIZCTEOSA-N 1 1 392.843 3.689 20 5 GHBDMO CC(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1 ZINC000774882902 913882716 /nfs/dbraw/zinc/88/27/16/913882716.db2.gz FDVUTFZRMVDECH-IBGZPJMESA-N 1 1 391.399 3.834 20 5 GHBDMO CC(C)O[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878805074 894631816 /nfs/dbraw/zinc/63/18/16/894631816.db2.gz YSGAUPSSCUFZII-CYBMUJFWSA-N 1 1 380.832 3.688 20 5 GHBDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878805074 894631827 /nfs/dbraw/zinc/63/18/27/894631827.db2.gz YSGAUPSSCUFZII-CYBMUJFWSA-N 1 1 380.832 3.688 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000564498292 895037866 /nfs/dbraw/zinc/03/78/66/895037866.db2.gz QJYXMGFYDSYGMV-MSOLQXFVSA-N 1 1 380.448 3.581 20 5 GHBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000564957867 895325972 /nfs/dbraw/zinc/32/59/72/895325972.db2.gz HSPCMBMYDCROKG-IBGZPJMESA-N 1 1 389.452 3.520 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+]2CCc3sc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC000566173569 896155493 /nfs/dbraw/zinc/15/54/93/896155493.db2.gz LQVJNEPTFUEWMA-UHFFFAOYSA-N 1 1 395.868 3.705 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3sc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC000566173569 896155501 /nfs/dbraw/zinc/15/55/01/896155501.db2.gz LQVJNEPTFUEWMA-UHFFFAOYSA-N 1 1 395.868 3.705 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881226260 896250715 /nfs/dbraw/zinc/25/07/15/896250715.db2.gz NKJWUANNLHQABC-LJQANCHMSA-N 1 1 381.411 3.541 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000819224005 896516954 /nfs/dbraw/zinc/51/69/54/896516954.db2.gz SYKGJHYTVIIIRZ-CWKRKGSWSA-N 1 1 395.503 3.519 20 5 GHBDMO C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000566851312 896634101 /nfs/dbraw/zinc/63/41/01/896634101.db2.gz BBDPQGCTLSSYGC-GFCCVEGCSA-N 1 1 388.493 3.950 20 5 GHBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC001136219307 896705057 /nfs/dbraw/zinc/70/50/57/896705057.db2.gz PVBSQEAOENJFJJ-KRWDZBQOSA-N 1 1 391.830 3.954 20 5 GHBDMO Cc1c(Br)cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001136225432 896773491 /nfs/dbraw/zinc/77/34/91/896773491.db2.gz BUKYWYRPBGIMHE-NEPJUHHUSA-N 1 1 398.301 3.516 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001136255266 896912562 /nfs/dbraw/zinc/91/25/62/896912562.db2.gz OUPSZCBIUOLJFF-HDICACEKSA-N 1 1 387.524 3.891 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289427639 914180283 /nfs/dbraw/zinc/18/02/83/914180283.db2.gz VHJUVMNSYVTPFG-AWEZNQCLSA-N 1 1 377.404 3.890 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289427639 914180294 /nfs/dbraw/zinc/18/02/94/914180294.db2.gz VHJUVMNSYVTPFG-AWEZNQCLSA-N 1 1 377.404 3.890 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000569892297 899009409 /nfs/dbraw/zinc/00/94/09/899009409.db2.gz KGNYRENZVHMGAH-MRXNPFEDSA-N 1 1 377.448 3.733 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823598252 899121744 /nfs/dbraw/zinc/12/17/44/899121744.db2.gz GUHYDBZXWRUSRI-VLIAUNLRSA-N 1 1 382.420 3.545 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000331929367 899271383 /nfs/dbraw/zinc/27/13/83/899271383.db2.gz DEQHHKJMZJKPFW-YJBOKZPZSA-N 1 1 391.537 3.899 20 5 GHBDMO CCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000823980012 899340668 /nfs/dbraw/zinc/34/06/68/899340668.db2.gz HJAJTQKZTVTASX-QAPCUYQASA-N 1 1 397.479 3.866 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)o2)cc1 ZINC000289771680 914339537 /nfs/dbraw/zinc/33/95/37/914339537.db2.gz RIAJGPCYESSCEM-CJNGLKHVSA-N 1 1 384.354 3.848 20 5 GHBDMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570649741 899471399 /nfs/dbraw/zinc/47/13/99/899471399.db2.gz MGNXWBARGUIPBW-SFTDATJTSA-N 1 1 393.487 3.823 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)o2)c1 ZINC000289828531 914369278 /nfs/dbraw/zinc/36/92/78/914369278.db2.gz UFKZZUXBQDIBDK-CZUORRHYSA-N 1 1 384.354 3.848 20 5 GHBDMO COCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824820546 899827422 /nfs/dbraw/zinc/82/74/22/899827422.db2.gz HMMFXDURXZBJFY-QGZVFWFLSA-N 1 1 386.448 3.966 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cc1 ZINC000824821246 899827848 /nfs/dbraw/zinc/82/78/48/899827848.db2.gz WQYGMNNBZDVHTR-CQSZACIVSA-N 1 1 386.364 3.791 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cc1 ZINC000824821246 899827851 /nfs/dbraw/zinc/82/78/51/899827851.db2.gz WQYGMNNBZDVHTR-CQSZACIVSA-N 1 1 386.364 3.791 20 5 GHBDMO CC(=O)c1cc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000574227480 900824137 /nfs/dbraw/zinc/82/41/37/900824137.db2.gz UOENMWFSJOTBBT-JOCHJYFZSA-N 1 1 379.460 3.900 20 5 GHBDMO Cc1ccc(NCc2ccccc2[N+](=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000123506016 901935551 /nfs/dbraw/zinc/93/55/51/901935551.db2.gz TYHWAQNQYIRMAC-UHFFFAOYSA-N 1 1 382.464 3.940 20 5 GHBDMO COc1ccc(C[NH2+]Cc2conc2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000601142541 903383921 /nfs/dbraw/zinc/38/39/21/903383921.db2.gz UIWMBCDZJOFJCM-UHFFFAOYSA-N 1 1 383.404 3.769 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000578396739 903800511 /nfs/dbraw/zinc/80/05/11/903800511.db2.gz KQJAWCNFXZBLIX-RXVVDRJESA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000578396739 903800519 /nfs/dbraw/zinc/80/05/19/903800519.db2.gz KQJAWCNFXZBLIX-RXVVDRJESA-N 1 1 383.492 3.845 20 5 GHBDMO COC(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000579032504 904302615 /nfs/dbraw/zinc/30/26/15/904302615.db2.gz GRBBQFDKJXKHPS-LLVKDONJSA-N 1 1 393.237 3.995 20 5 GHBDMO C/C(=C\C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000773274650 904657819 /nfs/dbraw/zinc/65/78/19/904657819.db2.gz QCVQEGLOTVVYOW-FYWRMAATSA-N 1 1 381.432 3.772 20 5 GHBDMO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000579624794 904748704 /nfs/dbraw/zinc/74/87/04/904748704.db2.gz UAABPBWOMNXWIS-HXUWFJFHSA-N 1 1 392.459 3.937 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000889884053 904819234 /nfs/dbraw/zinc/81/92/34/904819234.db2.gz JCCSAZCEYVGSTP-IEBWSBKVSA-N 1 1 381.476 3.852 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@@](C)(CC)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000173943984 905167471 /nfs/dbraw/zinc/16/74/71/905167471.db2.gz MWHBMVGILVWDRW-SFHVURJKSA-N 1 1 392.481 3.612 20 5 GHBDMO COc1ccnc(N(C2CC[NH2+]CC2)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172913896 905983840 /nfs/dbraw/zinc/98/38/40/905983840.db2.gz VOPYETCGYRVREJ-GOSISDBHSA-N 1 1 396.491 3.504 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@@H](C(F)(F)F)C3)CC2)c(F)c1 ZINC001173017809 906095531 /nfs/dbraw/zinc/09/55/31/906095531.db2.gz JGLJMHDOWMWFPL-SNVBAGLBSA-N 1 1 379.329 3.726 20 5 GHBDMO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173193480 906277271 /nfs/dbraw/zinc/27/72/71/906277271.db2.gz SNCVCWJZUCPLFN-CYBMUJFWSA-N 1 1 390.411 3.592 20 5 GHBDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194145 906279824 /nfs/dbraw/zinc/27/98/24/906279824.db2.gz XYCKLWLCPRGXDP-ZDUSSCGKSA-N 1 1 399.463 3.520 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001173221728 906298908 /nfs/dbraw/zinc/29/89/08/906298908.db2.gz LKROYZDWXLLBAC-DOTOQJQBSA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001173221607 906299418 /nfs/dbraw/zinc/29/94/18/906299418.db2.gz KNEKPGPXBNFRBI-OLMNPRSZSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001173221607 906299434 /nfs/dbraw/zinc/29/94/34/906299434.db2.gz KNEKPGPXBNFRBI-OLMNPRSZSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001173223435 906303406 /nfs/dbraw/zinc/30/34/06/906303406.db2.gz ZSHNIBLQCYALNX-NXHRZFHOSA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173228990 906312688 /nfs/dbraw/zinc/31/26/88/906312688.db2.gz PCNJYFGPLFDMJU-NVXWUHKLSA-N 1 1 377.485 3.905 20 5 GHBDMO COC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(F)cc1 ZINC001173230213 906314895 /nfs/dbraw/zinc/31/48/95/906314895.db2.gz CTJCMSUYJQLDQZ-KPOBHBOGSA-N 1 1 386.423 3.554 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001173238440 906350661 /nfs/dbraw/zinc/35/06/61/906350661.db2.gz SOFZQCHPHFQHBZ-QRWLVFNGSA-N 1 1 377.485 3.763 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001176698976 908215602 /nfs/dbraw/zinc/21/56/02/908215602.db2.gz DNWTURMCDIOTKW-ZIAGYGMSSA-N 1 1 381.448 3.717 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189751825 908371925 /nfs/dbraw/zinc/37/19/25/908371925.db2.gz ZUODLVUVYSGRKU-MRXNPFEDSA-N 1 1 390.465 3.534 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189751825 908371938 /nfs/dbraw/zinc/37/19/38/908371938.db2.gz ZUODLVUVYSGRKU-MRXNPFEDSA-N 1 1 390.465 3.534 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c([N+](=O)[O-])c1 ZINC000194584515 908955870 /nfs/dbraw/zinc/95/58/70/908955870.db2.gz QVPISAWRHKASDR-UHFFFAOYSA-N 1 1 399.329 3.555 20 5 GHBDMO CCC(=O)c1ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000795210606 909340100 /nfs/dbraw/zinc/34/01/00/909340100.db2.gz RWANVALXCPOUNU-KDURUIRLSA-N 1 1 379.460 3.756 20 5 GHBDMO C[C@@](CO)([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001179353728 909481735 /nfs/dbraw/zinc/48/17/35/909481735.db2.gz VROMPVQSOSGFFG-KRWDZBQOSA-N 1 1 386.782 3.847 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001180267078 910055085 /nfs/dbraw/zinc/05/50/85/910055085.db2.gz NLYBCWHQMDDZNO-OAQYLSRUSA-N 1 1 389.496 3.990 20 5 GHBDMO CC[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@@H](C)C(C)C ZINC000795411835 910256432 /nfs/dbraw/zinc/25/64/32/910256432.db2.gz COSXEWPCECXHCR-NSHDSACASA-N 1 1 384.274 3.637 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](N(C)c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC001181515364 910838476 /nfs/dbraw/zinc/83/84/76/910838476.db2.gz TZCSAWIEBKVHHC-SFHVURJKSA-N 1 1 385.464 3.718 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1)CC(C)C ZINC000773981653 911216786 /nfs/dbraw/zinc/21/67/86/911216786.db2.gz ITGLROACLFTONT-UHFFFAOYSA-N 1 1 379.476 3.954 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000274379091 911319702 /nfs/dbraw/zinc/31/97/02/911319702.db2.gz MLJYQZDUJPZUGW-UHFFFAOYSA-N 1 1 399.878 3.911 20 5 GHBDMO O=C(c1ccccc1)N1CC[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000283213744 911418876 /nfs/dbraw/zinc/41/88/76/911418876.db2.gz SESYGBLCHDZGCO-GOSISDBHSA-N 1 1 379.460 3.722 20 5 GHBDMO O=C(CCc1c2ccccc2cc2ccccc21)NCC1([NH+]2CCCC2)COC1 ZINC001182413424 911627098 /nfs/dbraw/zinc/62/70/98/911627098.db2.gz PSJOJOXHOXGPIB-UHFFFAOYSA-N 1 1 388.511 3.907 20 5 GHBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093278074 912151414 /nfs/dbraw/zinc/15/14/14/912151414.db2.gz RAXGMDSHPBAAHR-HNNXBMFYSA-N 1 1 385.489 3.910 20 5 GHBDMO CC(C)(CCc1noc([C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)n1)[N+](=O)[O-] ZINC000291076024 914959502 /nfs/dbraw/zinc/95/95/02/914959502.db2.gz MNXGPOIPZBAWBR-OAHLLOKOSA-N 1 1 394.422 3.682 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000802011126 921755595 /nfs/dbraw/zinc/75/55/95/921755595.db2.gz LQZCQOANFXRDHM-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000802011126 921755614 /nfs/dbraw/zinc/75/56/14/921755614.db2.gz LQZCQOANFXRDHM-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292943377 915915362 /nfs/dbraw/zinc/91/53/62/915915362.db2.gz BNLGQTSZCACNLG-CYBMUJFWSA-N 1 1 387.402 3.598 20 5 GHBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292943377 915915368 /nfs/dbraw/zinc/91/53/68/915915368.db2.gz BNLGQTSZCACNLG-CYBMUJFWSA-N 1 1 387.402 3.598 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000293388027 916168944 /nfs/dbraw/zinc/16/89/44/916168944.db2.gz NKWNRCFTKRYIFZ-SJKOYZFVSA-N 1 1 397.397 3.703 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294191897 916641340 /nfs/dbraw/zinc/64/13/40/916641340.db2.gz BBKFVQXDOALXOB-HNNXBMFYSA-N 1 1 397.353 3.774 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)n2)c1 ZINC000361998450 917024096 /nfs/dbraw/zinc/02/40/96/917024096.db2.gz SDUMOVFVVABVMP-APWZRJJASA-N 1 1 380.404 3.512 20 5 GHBDMO COc1c(C)c[nH+]c(CN(C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C ZINC000295207018 917206156 /nfs/dbraw/zinc/20/61/56/917206156.db2.gz UEJGQOARPYQOMN-CQSZACIVSA-N 1 1 397.435 3.858 20 5 GHBDMO COC[C@H](C)[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000006840103 917717868 /nfs/dbraw/zinc/71/78/68/917717868.db2.gz RCHJVKGCSFNCLZ-SJCJKPOMSA-N 1 1 377.828 3.553 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000115859928 919474049 /nfs/dbraw/zinc/47/40/49/919474049.db2.gz UXRUBOADABVSMY-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000115859926 919474266 /nfs/dbraw/zinc/47/42/66/919474266.db2.gz UXRUBOADABVSMY-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000117335908 919537106 /nfs/dbraw/zinc/53/71/06/919537106.db2.gz PWTBSMJBRWBRCI-UHFFFAOYSA-N 1 1 385.420 3.931 20 5 GHBDMO CSc1cccc(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000364535051 919601106 /nfs/dbraw/zinc/60/11/06/919601106.db2.gz ZCWRFWLQJDVSFW-WBVHZDCISA-N 1 1 399.516 3.957 20 5 GHBDMO O=c1ccccn1C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000800506896 920213535 /nfs/dbraw/zinc/21/35/35/920213535.db2.gz 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O=C(CC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000412002697 926993567 /nfs/dbraw/zinc/99/35/67/926993567.db2.gz UVCXCQRVAFDFGT-OAQYLSRUSA-N 1 1 395.459 3.777 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000412214775 927216681 /nfs/dbraw/zinc/21/66/81/927216681.db2.gz GTEPXHZNOVSPIG-NMLBUPMWSA-N 1 1 399.878 3.913 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000412214775 927216696 /nfs/dbraw/zinc/21/66/96/927216696.db2.gz GTEPXHZNOVSPIG-NMLBUPMWSA-N 1 1 399.878 3.913 20 5 GHBDMO CCC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@@H]1CCc2ccccc2C1 ZINC000749943680 927361081 /nfs/dbraw/zinc/36/10/81/927361081.db2.gz HNRZJQUNGXOQCC-GOSISDBHSA-N 1 1 379.464 3.875 20 5 GHBDMO Cc1nn(C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749946900 927365102 /nfs/dbraw/zinc/36/51/02/927365102.db2.gz UWAXNWFEBKIDCP-UHFFFAOYSA-N 1 1 395.463 3.766 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000374665925 927393361 /nfs/dbraw/zinc/39/33/61/927393361.db2.gz TUKHHQOJOLHVDZ-OAHLLOKOSA-N 1 1 398.463 3.513 20 5 GHBDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000374788166 927523665 /nfs/dbraw/zinc/52/36/65/927523665.db2.gz MKTLDEHGBQSMSH-MRXNPFEDSA-N 1 1 385.468 3.779 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000750618068 927756168 /nfs/dbraw/zinc/75/61/68/927756168.db2.gz ZSILYTWGYAXDBQ-IFMALSPDSA-N 1 1 397.475 3.820 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000544069877 928763839 /nfs/dbraw/zinc/76/38/39/928763839.db2.gz VEHQUOBAWYHNIE-KRWDZBQOSA-N 1 1 376.840 3.653 20 5 GHBDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000467228779 928854404 /nfs/dbraw/zinc/85/44/04/928854404.db2.gz ZOPLHZCRRRHFGW-QFIPXVFZSA-N 1 1 395.459 3.990 20 5 GHBDMO 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CC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000546103720 929855441 /nfs/dbraw/zinc/85/54/41/929855441.db2.gz BPCMWBDLKZKZMP-QGZVFWFLSA-N 1 1 380.448 3.832 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000469424392 929873577 /nfs/dbraw/zinc/87/35/77/929873577.db2.gz MZOGMQYKPHTVON-FQEVSTJZSA-N 1 1 398.507 3.893 20 5 GHBDMO CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546183708 929936435 /nfs/dbraw/zinc/93/64/35/929936435.db2.gz AUYHWKBJOHSPRG-NRFANRHFSA-N 1 1 381.476 3.650 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000758464411 930054472 /nfs/dbraw/zinc/05/44/72/930054472.db2.gz PIFLWRMSBYUCCS-QGZVFWFLSA-N 1 1 385.439 3.684 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546578396 930274759 /nfs/dbraw/zinc/27/47/59/930274759.db2.gz PMTPXUZKEDRRIW-UXLLHSPISA-N 1 1 391.487 3.875 20 5 GHBDMO CCc1nsc(N2CCC[N@@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000470178340 930435307 /nfs/dbraw/zinc/43/53/07/930435307.db2.gz JMRQSGAQXCJSCS-QINSGFPZSA-N 1 1 387.509 3.624 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000780766489 930594003 /nfs/dbraw/zinc/59/40/03/930594003.db2.gz HDOZMJDWNPEHDY-WOJBJXKFSA-N 1 1 392.459 3.521 20 5 GHBDMO O=C(OCC[NH+]1CCCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000781256898 930761327 /nfs/dbraw/zinc/76/13/27/930761327.db2.gz GJZTXGAPLNUZNX-UHFFFAOYSA-N 1 1 386.398 3.602 20 5 GHBDMO COC(=O)/C=C/c1ccc(NCc2ccc(C)[nH+]c2N2CCCC2)c([N+](=O)[O-])c1 ZINC000781386852 930827033 /nfs/dbraw/zinc/82/70/33/930827033.db2.gz BHJUEXNZNOPODG-JXMROGBWSA-N 1 1 396.447 3.697 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(OC(C)=O)CC2)cc1OC ZINC000782052017 931074867 /nfs/dbraw/zinc/07/48/67/931074867.db2.gz OWDLEWPJHXEUKJ-AWEZNQCLSA-N 1 1 394.468 3.556 20 5 GHBDMO O=C(CC[N@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782488927 931240499 /nfs/dbraw/zinc/24/04/99/931240499.db2.gz KIVNCVYIDRLVRB-LJQANCHMSA-N 1 1 387.411 3.526 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000782895384 931360584 /nfs/dbraw/zinc/36/05/84/931360584.db2.gz PZCXOGUNCDORIK-FQEVSTJZSA-N 1 1 393.447 3.829 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000782895384 931360593 /nfs/dbraw/zinc/36/05/93/931360593.db2.gz PZCXOGUNCDORIK-FQEVSTJZSA-N 1 1 393.447 3.829 20 5 GHBDMO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925232109 931709725 /nfs/dbraw/zinc/70/97/25/931709725.db2.gz DRVJQJIBOPVXRK-MJGOQNOKSA-N 1 1 396.491 3.819 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000558061188 931822629 /nfs/dbraw/zinc/82/26/29/931822629.db2.gz DRKSGGQSBNLYIY-SFHVURJKSA-N 1 1 383.448 3.860 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000558061188 931822631 /nfs/dbraw/zinc/82/26/31/931822631.db2.gz DRKSGGQSBNLYIY-SFHVURJKSA-N 1 1 383.448 3.860 20 5 GHBDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000558126760 931850573 /nfs/dbraw/zinc/85/05/73/931850573.db2.gz JPPMJYCKSPALNC-LBPRGKRZSA-N 1 1 395.381 3.776 20 5 GHBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000784637706 931965682 /nfs/dbraw/zinc/96/56/82/931965682.db2.gz GHGAYTMVSGVBBO-UHFFFAOYSA-N 1 1 389.883 3.989 20 5 GHBDMO COc1c(C(=O)O[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000796825584 932080987 /nfs/dbraw/zinc/08/09/87/932080987.db2.gz IMXVRCMESGYWAQ-DOTOQJQBSA-N 1 1 384.432 3.671 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000797083882 932175994 /nfs/dbraw/zinc/17/59/94/932175994.db2.gz KAJWNMKQUYQHDO-IEBWSBKVSA-N 1 1 395.459 3.507 20 5 GHBDMO COc1ccc(-c2noc([C@H](C)[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000558739532 932203807 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VHZLLCMYFOPJHL-OAHLLOKOSA-N 1 1 391.418 3.713 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](Cc4nccs4)C3)n2)cc1 ZINC000932200463 934848565 /nfs/dbraw/zinc/84/85/65/934848565.db2.gz QMDSXRQNTCHCSJ-CYBMUJFWSA-N 1 1 385.449 3.556 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](Cc4nccs4)C3)n2)cc1 ZINC000932200463 934848571 /nfs/dbraw/zinc/84/85/71/934848571.db2.gz QMDSXRQNTCHCSJ-CYBMUJFWSA-N 1 1 385.449 3.556 20 5 GHBDMO C[C@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562401007 934851696 /nfs/dbraw/zinc/85/16/96/934851696.db2.gz NFASQXRYOFXTPF-RQXXJAGISA-N 1 1 395.503 3.971 20 5 GHBDMO CCOc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc1[N+](=O)[O-] ZINC001125229795 935554566 /nfs/dbraw/zinc/55/45/66/935554566.db2.gz IXUTYDBDXNKINC-KRWDZBQOSA-N 1 1 381.432 3.618 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CC[C@@H](O)c1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000828817005 935719605 /nfs/dbraw/zinc/71/96/05/935719605.db2.gz JIYRSTBAOQGRSI-KCZVDYSFSA-N 1 1 384.476 3.824 20 5 GHBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000374255907 1015066275 /nfs/dbraw/zinc/06/62/75/1015066275.db2.gz LGUWWLGEFDWXRN-QUCCMNQESA-N 1 1 396.447 3.676 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)CC1(O)CCC1 ZINC000544927443 1015226927 /nfs/dbraw/zinc/22/69/27/1015226927.db2.gz CNCRCQXTEMDFSQ-UHFFFAOYSA-N 1 1 395.253 3.964 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594375484 999416622 /nfs/dbraw/zinc/41/66/22/999416622.db2.gz ULKNCLTWQVDGFZ-MRXNPFEDSA-N 1 1 389.496 3.770 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001154888227 1032328170 /nfs/dbraw/zinc/32/81/70/1032328170.db2.gz DEPKHYRFHALMRS-AWEZNQCLSA-N 1 1 377.510 3.796 20 5 GHBDMO Cc1ccc(N2CCC[C@@H](Oc3nc(C(F)(F)F)ccc3[N+](=O)[O-])C2)[nH+]c1 ZINC001227246691 1032341240 /nfs/dbraw/zinc/34/12/40/1032341240.db2.gz LMXUHBXTEUISFO-GFCCVEGCSA-N 1 1 382.342 3.760 20 5 GHBDMO CCOC(=O)c1ccc(O[C@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001227301951 1032362890 /nfs/dbraw/zinc/36/28/90/1032362890.db2.gz SALYCPVJBPCOJE-RDJZCZTQSA-N 1 1 399.447 3.771 20 5 GHBDMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000561300962 1017832808 /nfs/dbraw/zinc/83/28/08/1017832808.db2.gz HKRAKEHJBPOTIY-LJQANCHMSA-N 1 1 379.460 3.608 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000562847774 1018704913 /nfs/dbraw/zinc/70/49/13/1018704913.db2.gz NXJAOEOHUJKEOE-IFMALSPDSA-N 1 1 395.503 3.549 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000562847774 1018704922 /nfs/dbraw/zinc/70/49/22/1018704922.db2.gz NXJAOEOHUJKEOE-IFMALSPDSA-N 1 1 395.503 3.549 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933080871 1018838324 /nfs/dbraw/zinc/83/83/24/1018838324.db2.gz FPACOVINIBMXCC-RHSMWYFYSA-N 1 1 386.452 3.844 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243125 1032858834 /nfs/dbraw/zinc/85/88/34/1032858834.db2.gz UMDSUGAAUNHFDW-LIRRHRJNSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243125 1032858847 /nfs/dbraw/zinc/85/88/47/1032858847.db2.gz UMDSUGAAUNHFDW-LIRRHRJNSA-N 1 1 394.431 3.533 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)c2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC001156293127 1032963187 /nfs/dbraw/zinc/96/31/87/1032963187.db2.gz WCPHTMXPOUTYLM-SFHVURJKSA-N 1 1 384.480 3.798 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000801572655 1021412913 /nfs/dbraw/zinc/41/29/13/1021412913.db2.gz HYCLNDAFUCSIDP-SFHVURJKSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000801572655 1021412918 /nfs/dbraw/zinc/41/29/18/1021412918.db2.gz HYCLNDAFUCSIDP-SFHVURJKSA-N 1 1 383.876 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001156317344 1032980462 /nfs/dbraw/zinc/98/04/62/1032980462.db2.gz LRIYNXMINOCYOF-PWIZWCRZSA-N 1 1 389.459 3.861 20 5 GHBDMO COc1cc([C@H](C)[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903072946 1021573323 /nfs/dbraw/zinc/57/33/23/1021573323.db2.gz MOQNNJNYOBZLJU-YWZLYKJASA-N 1 1 383.448 3.618 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000749074652 1021742089 /nfs/dbraw/zinc/74/20/89/1021742089.db2.gz RBGOIAGQVCMNFG-WIYYLYMNSA-N 1 1 379.460 3.589 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001156389486 1033012877 /nfs/dbraw/zinc/01/28/77/1033012877.db2.gz VEZJPQXEDQXYBH-UHFFFAOYSA-N 1 1 397.262 3.741 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000754169115 1022519519 /nfs/dbraw/zinc/51/95/19/1022519519.db2.gz LGQGQHFUGQWFJY-QRKDJSQXSA-N 1 1 379.460 3.950 20 5 GHBDMO COC(=O)c1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc([N+](=O)[O-])c1 ZINC001228770199 1033087799 /nfs/dbraw/zinc/08/77/99/1033087799.db2.gz HMLLYJLIQUYSCU-MRXNPFEDSA-N 1 1 390.823 3.688 20 5 GHBDMO C[C@H](NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000836442511 1022976721 /nfs/dbraw/zinc/97/67/21/1022976721.db2.gz KKMPHRKHTIDIPM-HTAPYJJXSA-N 1 1 396.491 3.867 20 5 GHBDMO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001204817669 1033105148 /nfs/dbraw/zinc/10/51/48/1033105148.db2.gz XMKHGLRYGXOJOF-QGZVFWFLSA-N 1 1 384.354 3.788 20 5 GHBDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001204817669 1033105154 /nfs/dbraw/zinc/10/51/54/1033105154.db2.gz XMKHGLRYGXOJOF-QGZVFWFLSA-N 1 1 384.354 3.788 20 5 GHBDMO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000755223824 1023139458 /nfs/dbraw/zinc/13/94/58/1023139458.db2.gz UOMFJZWVLIGIQI-LBPRGKRZSA-N 1 1 392.481 3.721 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000836780105 1023362217 /nfs/dbraw/zinc/36/22/17/1023362217.db2.gz WEVXBAWFGRCQAG-CXAGYDPISA-N 1 1 377.872 3.646 20 5 GHBDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000755762203 1023366196 /nfs/dbraw/zinc/36/61/96/1023366196.db2.gz MVBRDSGQAKLBFC-GOSISDBHSA-N 1 1 390.447 3.725 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000756183449 1023549162 /nfs/dbraw/zinc/54/91/62/1023549162.db2.gz LWXXVLHXRDQIND-FYWRMAATSA-N 1 1 380.448 3.618 20 5 GHBDMO C[C@H](Oc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229006524 1033227606 /nfs/dbraw/zinc/22/76/06/1033227606.db2.gz ANWIFSIOBMLQTH-HRAATJIYSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@H](Oc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229006524 1033227615 /nfs/dbraw/zinc/22/76/15/1033227615.db2.gz ANWIFSIOBMLQTH-HRAATJIYSA-N 1 1 393.443 3.811 20 5 GHBDMO CCN1C[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc21 ZINC001205108901 1033256727 /nfs/dbraw/zinc/25/67/27/1033256727.db2.gz VKDITRZJYGIECL-MRXNPFEDSA-N 1 1 375.856 3.968 20 5 GHBDMO CCN1C[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc21 ZINC001205108901 1033256738 /nfs/dbraw/zinc/25/67/38/1033256738.db2.gz VKDITRZJYGIECL-MRXNPFEDSA-N 1 1 375.856 3.968 20 5 GHBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839196170 1025716701 /nfs/dbraw/zinc/71/67/01/1025716701.db2.gz SRFDQTCUJBQFCD-ZDUSSCGKSA-N 1 1 377.391 3.765 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC001162430708 1025744801 /nfs/dbraw/zinc/74/48/01/1025744801.db2.gz JAHJIKJFEGGXJA-QGZVFWFLSA-N 1 1 375.469 3.838 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001162755940 1025906917 /nfs/dbraw/zinc/90/69/17/1025906917.db2.gz SXWDSBGLFLPWRM-OAHLLOKOSA-N 1 1 376.457 3.984 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3CSCC[N@H+]3Cc3ccccc3)nc2c1 ZINC001163037514 1026020980 /nfs/dbraw/zinc/02/09/80/1026020980.db2.gz UFGIAIPSJLGIBN-MRXNPFEDSA-N 1 1 383.477 3.501 20 5 GHBDMO CC(C)Oc1nc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC001163113390 1026049775 /nfs/dbraw/zinc/04/97/75/1026049775.db2.gz YOUJKFZTHGISPD-CQSZACIVSA-N 1 1 376.482 3.722 20 5 GHBDMO C[C@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001163191512 1026082139 /nfs/dbraw/zinc/08/21/39/1026082139.db2.gz MAEZYNQYUXKGRQ-JOCHJYFZSA-N 1 1 376.460 3.889 20 5 GHBDMO O=[N+]([O-])c1cccc(C[NH2+][C@]2(CO)CCCc3ccccc32)c1Br ZINC000839592190 1026092281 /nfs/dbraw/zinc/09/22/81/1026092281.db2.gz HVGRCHPBDDXDNS-SFHVURJKSA-N 1 1 391.265 3.671 20 5 GHBDMO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@H+](C2CCC2)C1 ZINC000839607168 1026105868 /nfs/dbraw/zinc/10/58/68/1026105868.db2.gz UTXYNHKDQGZWNB-ZDUSSCGKSA-N 1 1 382.302 3.664 20 5 GHBDMO NC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000839640491 1026147043 /nfs/dbraw/zinc/14/70/43/1026147043.db2.gz JVQYHGTUMPZWLH-LSDHHAIUSA-N 1 1 394.258 3.603 20 5 GHBDMO CC(=O)Nc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1[N+](=O)[O-] ZINC001164491794 1026528990 /nfs/dbraw/zinc/52/89/90/1026528990.db2.gz GIQUPAHLUAAKKN-YZGWKJHDSA-N 1 1 394.475 3.876 20 5 GHBDMO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000842616697 1029418938 /nfs/dbraw/zinc/41/89/38/1029418938.db2.gz DXAIIJMELLUQIZ-NHYWBVRUSA-N 1 1 394.269 3.535 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222931585 1030356526 /nfs/dbraw/zinc/35/65/26/1030356526.db2.gz LHPLZMGEIKULOA-GDBMZVCRSA-N 1 1 382.420 3.873 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cnc2[nH]ccc2c1 ZINC001151018885 1030745745 /nfs/dbraw/zinc/74/57/45/1030745745.db2.gz ARSLMCWOSKQXTP-UHFFFAOYSA-N 1 1 397.438 3.771 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001224097000 1030882455 /nfs/dbraw/zinc/88/24/55/1030882455.db2.gz PKTNSYMADBZRLU-QRWLVFNGSA-N 1 1 385.420 3.930 20 5 GHBDMO Cc1cnc(COC[C@H]2C[N@@H+](Cc3ccccc3)CC(C)(C)O2)c(C)c1[N+](=O)[O-] ZINC001224184972 1030915482 /nfs/dbraw/zinc/91/54/82/1030915482.db2.gz AECXGBQLNCAGNP-LJQANCHMSA-N 1 1 399.491 3.803 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226435812 1031959587 /nfs/dbraw/zinc/95/95/87/1031959587.db2.gz UYFYRKABLGCYAN-QRWLVFNGSA-N 1 1 378.432 3.827 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(O[C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)c2c1 ZINC001226440932 1031961736 /nfs/dbraw/zinc/96/17/36/1031961736.db2.gz IJNYNIJTBREDCM-INIZCTEOSA-N 1 1 384.823 3.845 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229365159 1033440072 /nfs/dbraw/zinc/44/00/72/1033440072.db2.gz SNVXSLRPVBVWLH-IFXJQAMLSA-N 1 1 394.431 3.533 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001229404781 1033461135 /nfs/dbraw/zinc/46/11/35/1033461135.db2.gz ZWKONIKPWBDEKK-INIZCTEOSA-N 1 1 384.823 3.845 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001205755087 1033560720 /nfs/dbraw/zinc/56/07/20/1033560720.db2.gz DNRXPMGGYXFEJU-UHFFFAOYSA-N 1 1 382.386 3.821 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001205755087 1033560728 /nfs/dbraw/zinc/56/07/28/1033560728.db2.gz DNRXPMGGYXFEJU-UHFFFAOYSA-N 1 1 382.386 3.821 20 5 GHBDMO CN(CC[N@@H+](C)Cc1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001157553544 1033656782 /nfs/dbraw/zinc/65/67/82/1033656782.db2.gz ASUNYYXYJCCRSJ-UHFFFAOYSA-N 1 1 384.814 3.756 20 5 GHBDMO O=[N+]([O-])c1cc(O[C@H]2COCC[N@@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001229830374 1033741019 /nfs/dbraw/zinc/74/10/19/1033741019.db2.gz BGMAGOKCLASYHH-GOSISDBHSA-N 1 1 396.365 3.893 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1CN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001206180729 1033756176 /nfs/dbraw/zinc/75/61/76/1033756176.db2.gz SLCZUHOIDCCBPE-UHFFFAOYSA-N 1 1 396.310 3.735 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[N@H+]2CC[C@H]2C1 ZINC001158432009 1034076957 /nfs/dbraw/zinc/07/69/57/1034076957.db2.gz UWXWFBJSOYQFEA-SFHVURJKSA-N 1 1 390.443 3.616 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001158524134 1034127158 /nfs/dbraw/zinc/12/71/58/1034127158.db2.gz QNVGAGKOFSVOQU-HZPDHXFCSA-N 1 1 377.448 3.637 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001461916886 1069881073 /nfs/dbraw/zinc/88/10/73/1069881073.db2.gz QPVWWUDCEPCZNR-MBGNVJMVSA-N 1 1 379.460 3.893 20 5 GHBDMO Clc1ccc(N2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)nn1 ZINC001232224786 1035171451 /nfs/dbraw/zinc/17/14/51/1035171451.db2.gz JQCKUZAHFBFJQO-UHFFFAOYSA-N 1 1 390.878 3.549 20 5 GHBDMO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232226632 1035172116 /nfs/dbraw/zinc/17/21/16/1035172116.db2.gz VEOKCDMPKRPWSY-UHFFFAOYSA-N 1 1 376.504 3.863 20 5 GHBDMO COc1ccc(N2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)nc1 ZINC001232227117 1035172248 /nfs/dbraw/zinc/17/22/48/1035172248.db2.gz GRCQVBLGEJSUCF-UHFFFAOYSA-N 1 1 385.471 3.509 20 5 GHBDMO CN(C)/C=C/c1cc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001161885973 1035322411 /nfs/dbraw/zinc/32/24/11/1035322411.db2.gz KCROGBRKZWDFFN-RDELFYGPSA-N 1 1 381.480 3.599 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC001248209541 1035640901 /nfs/dbraw/zinc/64/09/01/1035640901.db2.gz PEMZLNYSVAIGJL-CQSZACIVSA-N 1 1 394.309 3.786 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254368791 1040197257 /nfs/dbraw/zinc/19/72/57/1040197257.db2.gz IOEIEAIIBNPEEC-NRFANRHFSA-N 1 1 394.475 3.675 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@](CF)(C(F)(F)F)C3)CC2)cc1 ZINC001254473925 1040259397 /nfs/dbraw/zinc/25/93/97/1040259397.db2.gz JMQIIJXJOBZGCD-INIZCTEOSA-N 1 1 375.366 3.788 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@](CF)(C(F)(F)F)C3)CC2)cc1 ZINC001254473926 1040259997 /nfs/dbraw/zinc/25/99/97/1040259997.db2.gz JMQIIJXJOBZGCD-MRXNPFEDSA-N 1 1 375.366 3.788 20 5 GHBDMO COc1ccccc1O[C@@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479286 1040266738 /nfs/dbraw/zinc/26/67/38/1040266738.db2.gz WKBXXCFKSVAKDN-HXUWFJFHSA-N 1 1 397.475 3.726 20 5 GHBDMO C[C@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[N@H+]1C1CCCCC1 ZINC001254481312 1040268434 /nfs/dbraw/zinc/26/84/34/1040268434.db2.gz ARSGVOLNJWZCGZ-SFHVURJKSA-N 1 1 386.540 3.902 20 5 GHBDMO Cc1cccc(O[C@H]2CCC[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)n1 ZINC001254481339 1040268483 /nfs/dbraw/zinc/26/84/83/1040268483.db2.gz BKROIJMOIIGFNO-NRFANRHFSA-N 1 1 396.491 3.810 20 5 GHBDMO Cc1cccnc1O[C@@H]1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254482439 1040269631 /nfs/dbraw/zinc/26/96/31/1040269631.db2.gz JCOHMKNIYNBSPO-OAQYLSRUSA-N 1 1 396.491 3.810 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]2C ZINC001254556444 1040325644 /nfs/dbraw/zinc/32/56/44/1040325644.db2.gz KZTISJQJFBTXLL-SJORKVTESA-N 1 1 385.512 3.639 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001254555908 1040326652 /nfs/dbraw/zinc/32/66/52/1040326652.db2.gz JKKLZLCQZONNGO-UCNVEGJOSA-N 1 1 388.508 3.681 20 5 GHBDMO CCn1ncc2c1C[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C[C@H]2COCC1CC1 ZINC001254562155 1040334280 /nfs/dbraw/zinc/33/42/80/1040334280.db2.gz OPZUTIQZQJEQPG-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO CCn1ncc2c1C[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C[C@H]2COCC1CC1 ZINC001254562155 1040334296 /nfs/dbraw/zinc/33/42/96/1040334296.db2.gz OPZUTIQZQJEQPG-APWZRJJASA-N 1 1 398.507 3.768 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605544 1040376184 /nfs/dbraw/zinc/37/61/84/1040376184.db2.gz BGEMEAWWKXEBIA-VQPDEGQRSA-N 1 1 393.531 3.957 20 5 GHBDMO C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254606423 1040377893 /nfs/dbraw/zinc/37/78/93/1040377893.db2.gz FWMKNZWICLYOGD-NQIIRXRSSA-N 1 1 389.496 3.783 20 5 GHBDMO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254608056 1040380425 /nfs/dbraw/zinc/38/04/25/1040380425.db2.gz OTXRIXNOKRNWHX-YHELAOLJSA-N 1 1 395.507 3.953 20 5 GHBDMO O=[N+]([O-])c1cccc2c(-c3nnc([C@@H]4CC[N@@H+](Cc5ccccc5)C4)o3)n[nH]c21 ZINC001255396411 1040983258 /nfs/dbraw/zinc/98/32/58/1040983258.db2.gz NTWBMOLAHOOMEK-CQSZACIVSA-N 1 1 390.403 3.511 20 5 GHBDMO O=[N+]([O-])c1cc2c[nH]nc2c(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255397589 1040984015 /nfs/dbraw/zinc/98/40/15/1040984015.db2.gz WBABEIMVSYBQAM-AWEZNQCLSA-N 1 1 390.403 3.511 20 5 GHBDMO Cc1cc(Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)ccc1[N+](=O)[O-] ZINC001255425754 1041020923 /nfs/dbraw/zinc/02/09/23/1041020923.db2.gz AJIMGIBWAPQGQH-GOSISDBHSA-N 1 1 378.432 3.867 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1Cc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255444949 1041044224 /nfs/dbraw/zinc/04/42/24/1041044224.db2.gz GWSQZZLYQQXBAN-QGZVFWFLSA-N 1 1 378.432 3.867 20 5 GHBDMO Cc1cc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c([N+](=O)[O-])c(C)n1 ZINC001255469353 1041072918 /nfs/dbraw/zinc/07/29/18/1041072918.db2.gz PSGXOHLOAASBTL-MRXNPFEDSA-N 1 1 379.420 3.646 20 5 GHBDMO COc1ccccc1C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256098024 1041524891 /nfs/dbraw/zinc/52/48/91/1041524891.db2.gz ZXHBLOPHHTVSHG-UHFFFAOYSA-N 1 1 385.464 3.713 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@H]3c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC001256100441 1041527234 /nfs/dbraw/zinc/52/72/34/1041527234.db2.gz IUYNPJKBXDTHNF-KRWDZBQOSA-N 1 1 388.493 3.866 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCc4cc(F)ccc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256101666 1041529130 /nfs/dbraw/zinc/52/91/30/1041529130.db2.gz QPUVFTYXWSPRMG-UHFFFAOYSA-N 1 1 385.439 3.770 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1Cl ZINC001294799872 1044797012 /nfs/dbraw/zinc/79/70/12/1044797012.db2.gz ABRDNMMDKUWEBZ-ZBFHGGJFSA-N 1 1 387.867 3.949 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC001296030937 1045225830 /nfs/dbraw/zinc/22/58/30/1045225830.db2.gz KRMBVLVZNKLZSA-ZDUSSCGKSA-N 1 1 398.221 3.957 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC001296030937 1045225836 /nfs/dbraw/zinc/22/58/36/1045225836.db2.gz KRMBVLVZNKLZSA-ZDUSSCGKSA-N 1 1 398.221 3.957 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001299863155 1046070372 /nfs/dbraw/zinc/07/03/72/1046070372.db2.gz ZJHQXSPCRTZLBE-SFHVURJKSA-N 1 1 394.475 3.877 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)c1ccc([S@](C)=O)cc1 ZINC001262239421 1046217392 /nfs/dbraw/zinc/21/73/92/1046217392.db2.gz YVBUPYRIHJKKOT-BGJPBQGDSA-N 1 1 397.294 3.946 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001301750890 1046682902 /nfs/dbraw/zinc/68/29/02/1046682902.db2.gz HNPISIVVVRJMDC-BVSLBCMMSA-N 1 1 393.487 3.649 20 5 GHBDMO CSc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc1[N+](=O)[O-] ZINC001264665750 1047403150 /nfs/dbraw/zinc/40/31/50/1047403150.db2.gz QDYUILZZSMSZHI-MRXNPFEDSA-N 1 1 383.473 3.942 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001463222854 1070921426 /nfs/dbraw/zinc/92/14/26/1070921426.db2.gz LZGIJMGMCYEHNI-MRXNPFEDSA-N 1 1 385.489 3.960 20 5 GHBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@H]1C)[N@@H+](C)C1CC1 ZINC001305079238 1047880966 /nfs/dbraw/zinc/88/09/66/1047880966.db2.gz KUNAAYXTMOWNSM-OWCLPIDISA-N 1 1 398.511 3.571 20 5 GHBDMO CSc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001287692716 1048889623 /nfs/dbraw/zinc/88/96/23/1048889623.db2.gz GFIFLIDMCRQTMR-NVXWUHKLSA-N 1 1 399.516 3.815 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001287694390 1048892218 /nfs/dbraw/zinc/89/22/18/1048892218.db2.gz SCZUFNGDMKYBQD-JJJJLYANSA-N 1 1 393.487 3.583 20 5 GHBDMO Cc1c(Br)c(NCCCC[N@@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001306934402 1048967251 /nfs/dbraw/zinc/96/72/51/1048967251.db2.gz RRNMDIKSCDYJGD-LBPRGKRZSA-N 1 1 385.306 3.985 20 5 GHBDMO Cc1c(Br)c(N2CC[NH+](CC3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC001306948729 1048974650 /nfs/dbraw/zinc/97/46/50/1048974650.db2.gz ZKCATFBWMXBTKP-UHFFFAOYSA-N 1 1 397.317 3.763 20 5 GHBDMO CC(C)Oc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001307185803 1049125074 /nfs/dbraw/zinc/12/50/74/1049125074.db2.gz UAYNKKFOUQNDCY-FUHWJXTLSA-N 1 1 384.480 3.957 20 5 GHBDMO CN(C)c1cc[nH+]c(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 ZINC001307210573 1049140744 /nfs/dbraw/zinc/14/07/44/1049140744.db2.gz QPHKFXACDALCMG-UHFFFAOYSA-N 1 1 376.416 3.899 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC001307458740 1049294754 /nfs/dbraw/zinc/29/47/54/1049294754.db2.gz UVIUBFIKAALTSA-FQEVSTJZSA-N 1 1 384.476 3.822 20 5 GHBDMO Cc1ccc(C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)cc1C ZINC001307487197 1049325842 /nfs/dbraw/zinc/32/58/42/1049325842.db2.gz LQSSXJSVKPHRLQ-UHFFFAOYSA-N 1 1 379.460 3.765 20 5 GHBDMO Cc1ccc(C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)cc1C ZINC001307487197 1049325864 /nfs/dbraw/zinc/32/58/64/1049325864.db2.gz LQSSXJSVKPHRLQ-UHFFFAOYSA-N 1 1 379.460 3.765 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001307502235 1049343841 /nfs/dbraw/zinc/34/38/41/1049343841.db2.gz UMTXCSRXWAHWFQ-ZWKOTPCHSA-N 1 1 396.491 3.518 20 5 GHBDMO COC(=O)/C=C\c1ccc(OCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001307537711 1049382031 /nfs/dbraw/zinc/38/20/31/1049382031.db2.gz IRCIZMQEQCTNRT-GHXNOFRVSA-N 1 1 396.443 3.824 20 5 GHBDMO Cc1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Br ZINC001307546636 1049389460 /nfs/dbraw/zinc/38/94/60/1049389460.db2.gz XFZOHEZRGPGEEE-AWEZNQCLSA-N 1 1 391.269 3.747 20 5 GHBDMO O=C(OC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC001307745894 1049557490 /nfs/dbraw/zinc/55/74/90/1049557490.db2.gz GCGKRMWBPLQZSU-IBGZPJMESA-N 1 1 375.469 3.614 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001307896654 1049674468 /nfs/dbraw/zinc/67/44/68/1049674468.db2.gz OFJYEBWIPAWYRK-IBGZPJMESA-N 1 1 376.840 3.611 20 5 GHBDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001307966194 1049727447 /nfs/dbraw/zinc/72/74/47/1049727447.db2.gz VSVGFYARRPLFIJ-CQSZACIVSA-N 1 1 394.859 3.935 20 5 GHBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001307966194 1049727450 /nfs/dbraw/zinc/72/74/50/1049727450.db2.gz VSVGFYARRPLFIJ-CQSZACIVSA-N 1 1 394.859 3.935 20 5 GHBDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001307989334 1049742957 /nfs/dbraw/zinc/74/29/57/1049742957.db2.gz FFHCXVHGVWOKLO-MSOLQXFVSA-N 1 1 388.439 3.742 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C(C)(C)O)C2)cc1OC ZINC001308050364 1049798454 /nfs/dbraw/zinc/79/84/54/1049798454.db2.gz PDKZZDFPBDBWIE-GOEBONIOSA-N 1 1 380.485 3.621 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001308479442 1049985037 /nfs/dbraw/zinc/98/50/37/1049985037.db2.gz QMEAURSAGIZBRV-AWEZNQCLSA-N 1 1 382.302 3.569 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001308772865 1050088842 /nfs/dbraw/zinc/08/88/42/1050088842.db2.gz YZKXOFGZUPNYLJ-ZROIWOOFSA-N 1 1 375.469 3.986 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](C)CCc2cccc(Br)c2)c1[N+](=O)[O-] ZINC001308787629 1050093951 /nfs/dbraw/zinc/09/39/51/1050093951.db2.gz MWXPTHMRFLULNA-UHFFFAOYSA-N 1 1 395.253 3.746 20 5 GHBDMO Cn1c(=O)oc2ccc(C[NH2+]Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc21 ZINC001308895591 1050144711 /nfs/dbraw/zinc/14/47/11/1050144711.db2.gz ROIWLZUIJGKOAE-UHFFFAOYSA-N 1 1 382.203 3.636 20 5 GHBDMO O=C1OCCN1[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001328265121 1050456077 /nfs/dbraw/zinc/45/60/77/1050456077.db2.gz ZSUFFECYGGFVDE-CYBMUJFWSA-N 1 1 391.811 3.535 20 5 GHBDMO C[C@@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC001332276212 1051496452 /nfs/dbraw/zinc/49/64/52/1051496452.db2.gz GJDPVNHVWRYGQW-LLVKDONJSA-N 1 1 399.344 3.833 20 5 GHBDMO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC001337025386 1052380422 /nfs/dbraw/zinc/38/04/22/1052380422.db2.gz FMGWCSJZYYZKCW-AWEZNQCLSA-N 1 1 385.489 3.814 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC001317852485 1054279924 /nfs/dbraw/zinc/27/99/24/1054279924.db2.gz NDOFTMIFFWSHED-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC001318792823 1054875951 /nfs/dbraw/zinc/87/59/51/1054875951.db2.gz PRHVHDNDVGTFEN-RYUDHWBXSA-N 1 1 376.425 3.921 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC001354467725 1056689230 /nfs/dbraw/zinc/68/92/30/1056689230.db2.gz XKPSICZJNLDMJV-LJQANCHMSA-N 1 1 381.476 3.806 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000848488441 1057123347 /nfs/dbraw/zinc/12/33/47/1057123347.db2.gz BPSUXDCFJDPDKF-FQEVSTJZSA-N 1 1 382.464 3.697 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC001326434867 1057483652 /nfs/dbraw/zinc/48/36/52/1057483652.db2.gz QFPDWOYYFSJODK-UHFFFAOYSA-N 1 1 395.415 3.902 20 5 GHBDMO C[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC001441362153 1058766159 /nfs/dbraw/zinc/76/61/59/1058766159.db2.gz PXVWQMAWJMXHLT-ZJUUUORDSA-N 1 1 392.258 3.891 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001442227901 1058935490 /nfs/dbraw/zinc/93/54/90/1058935490.db2.gz WUVOWJNBANWDEQ-CQSZACIVSA-N 1 1 384.480 3.571 20 5 GHBDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001451524394 1060790378 /nfs/dbraw/zinc/79/03/78/1060790378.db2.gz GGFMVYXTMGBVTH-NHYWBVRUSA-N 1 1 391.365 3.576 20 5 GHBDMO C[N@H+]1CC[C@H](C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccccc1 ZINC001457893825 1063426001 /nfs/dbraw/zinc/42/60/01/1063426001.db2.gz MEBBWZUPABUVIX-OALUTQOASA-N 1 1 376.416 3.775 20 5 GHBDMO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001436596087 1063555541 /nfs/dbraw/zinc/55/55/41/1063555541.db2.gz BKVCQAWMEBWRCG-IBGZPJMESA-N 1 1 381.476 3.935 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](CC2CC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001459421248 1064094519 /nfs/dbraw/zinc/09/45/19/1064094519.db2.gz BHYHEEUIQVRKRC-UHFFFAOYSA-N 1 1 375.469 3.977 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC001459611676 1064142101 /nfs/dbraw/zinc/14/21/01/1064142101.db2.gz TUEHONZFUFTRHR-DOTOQJQBSA-N 1 1 393.484 3.599 20 5 GHBDMO C[C@@H](Cc1ccsc1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001459621663 1064146586 /nfs/dbraw/zinc/14/65/86/1064146586.db2.gz KSAKKZUFUMHNRN-ZDUSSCGKSA-N 1 1 375.450 3.517 20 5 GHBDMO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001459731473 1064190288 /nfs/dbraw/zinc/19/02/88/1064190288.db2.gz ALJRUMYALSWRHD-NRFANRHFSA-N 1 1 382.460 3.776 20 5 GHBDMO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001459731473 1064190290 /nfs/dbraw/zinc/19/02/90/1064190290.db2.gz ALJRUMYALSWRHD-NRFANRHFSA-N 1 1 382.460 3.776 20 5 GHBDMO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc(Cl)ccc1F ZINC001459817241 1064230185 /nfs/dbraw/zinc/23/01/85/1064230185.db2.gz NTFXKMRENCYAHS-LLVKDONJSA-N 1 1 377.803 3.627 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1C ZINC001463560141 1064460049 /nfs/dbraw/zinc/46/00/49/1064460049.db2.gz IIYWQAUXGZHKPL-KRWDZBQOSA-N 1 1 375.856 3.898 20 5 GHBDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC001465780541 1065851296 /nfs/dbraw/zinc/85/12/96/1065851296.db2.gz RHRUMLRGNKPYNS-UHFFFAOYSA-N 1 1 384.480 3.729 20 5 GHBDMO COc1ccc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001467071693 1067048626 /nfs/dbraw/zinc/04/86/26/1067048626.db2.gz VHTIJMNYHPKDTO-FQEVSTJZSA-N 1 1 398.463 3.636 20 5 GHBDMO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001358470430 1067536549 /nfs/dbraw/zinc/53/65/49/1067536549.db2.gz LFNMJQUQMCIMAR-LJQANCHMSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001460293638 1068910894 /nfs/dbraw/zinc/91/08/94/1068910894.db2.gz CTZKJIYHUBEDMD-OWCLPIDISA-N 1 1 393.484 3.692 20 5 GHBDMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001460293638 1068910896 /nfs/dbraw/zinc/91/08/96/1068910896.db2.gz CTZKJIYHUBEDMD-OWCLPIDISA-N 1 1 393.484 3.692 20 5 GHBDMO Cc1cccc(C[C@]2(C)CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC001460551686 1068994122 /nfs/dbraw/zinc/99/41/22/1068994122.db2.gz BLALOODDWWNSQS-QHCPKHFHSA-N 1 1 393.487 3.890 20 5 GHBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001460719114 1069119231 /nfs/dbraw/zinc/11/92/31/1069119231.db2.gz MCFXXGJOCKXSPD-IBGZPJMESA-N 1 1 393.491 3.958 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001460866088 1069236190 /nfs/dbraw/zinc/23/61/90/1069236190.db2.gz SBIHESSJIYUAJK-NCWRXXFHSA-N 1 1 377.872 3.943 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001460866088 1069236192 /nfs/dbraw/zinc/23/61/92/1069236192.db2.gz SBIHESSJIYUAJK-NCWRXXFHSA-N 1 1 377.872 3.943 20 5 GHBDMO COc1cc(C[NH+]2CCC(CSC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001460881993 1069251411 /nfs/dbraw/zinc/25/14/11/1069251411.db2.gz MCWWQGPYZZOUDR-UHFFFAOYSA-N 1 1 390.452 3.822 20 5 GHBDMO Nc1c(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001472137081 1073342073 /nfs/dbraw/zinc/34/20/73/1073342073.db2.gz AQLHGRIFWBDRGK-UHFFFAOYSA-N 1 1 393.806 3.607 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001472676889 1073612189 /nfs/dbraw/zinc/61/21/89/1073612189.db2.gz XUNRTRZKQUFULI-RMKNXTFCSA-N 1 1 395.459 3.525 20 5 GHBDMO C[N@@H+](CCCOc1ccccc1CNc1ccncc1[N+](=O)[O-])C1CCCC1 ZINC001472711687 1073630103 /nfs/dbraw/zinc/63/01/03/1073630103.db2.gz FRTHTZXWVGCEGC-UHFFFAOYSA-N 1 1 384.480 3.667 20 5 GHBDMO CC[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001472753511 1073650968 /nfs/dbraw/zinc/65/09/68/1073650968.db2.gz TVBLJSPCKBVURG-IBGZPJMESA-N 1 1 380.492 3.969 20 5 GHBDMO C[C@@H](NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001479212939 1079155551 /nfs/dbraw/zinc/15/55/51/1079155551.db2.gz NZWTZOQNPOTKJR-OKZBNKHCSA-N 1 1 396.491 3.960 20 5 GHBDMO C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001479212938 1079155754 /nfs/dbraw/zinc/15/57/54/1079155754.db2.gz NZWTZOQNPOTKJR-KZNAEPCWSA-N 1 1 396.491 3.960 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473198554 1073851262 /nfs/dbraw/zinc/85/12/62/1073851262.db2.gz NRBXXABGGHINEW-VLIAUNLRSA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473198554 1073851279 /nfs/dbraw/zinc/85/12/79/1073851279.db2.gz NRBXXABGGHINEW-VLIAUNLRSA-N 1 1 383.423 3.706 20 5 GHBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001473217505 1073866573 /nfs/dbraw/zinc/86/65/73/1073866573.db2.gz AFIZWDMFBKXWMR-NRFANRHFSA-N 1 1 383.492 3.960 20 5 GHBDMO CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001473217505 1073866584 /nfs/dbraw/zinc/86/65/84/1073866584.db2.gz AFIZWDMFBKXWMR-NRFANRHFSA-N 1 1 383.492 3.960 20 5 GHBDMO CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001473217505 1073866593 /nfs/dbraw/zinc/86/65/93/1073866593.db2.gz AFIZWDMFBKXWMR-NRFANRHFSA-N 1 1 383.492 3.960 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001473741681 1074118967 /nfs/dbraw/zinc/11/89/67/1074118967.db2.gz LKLKKGGKASGBCV-GDBMZVCRSA-N 1 1 375.469 3.833 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C(=O)N[C@H](C)CC)cc1 ZINC001473933563 1074209762 /nfs/dbraw/zinc/20/97/62/1074209762.db2.gz KMBGUNQFNBJFMW-OAHLLOKOSA-N 1 1 385.464 3.812 20 5 GHBDMO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001474469136 1074420597 /nfs/dbraw/zinc/42/05/97/1074420597.db2.gz RAZAXAJXKMECOY-UHFFFAOYSA-N 1 1 375.494 3.720 20 5 GHBDMO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001474469136 1074420600 /nfs/dbraw/zinc/42/06/00/1074420600.db2.gz RAZAXAJXKMECOY-UHFFFAOYSA-N 1 1 375.494 3.720 20 5 GHBDMO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001474625026 1074489113 /nfs/dbraw/zinc/48/91/13/1074489113.db2.gz HJHSCPUJFZILPZ-OQULSUTQSA-N 1 1 386.370 3.672 20 5 GHBDMO CCC[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CC=CCC1 ZINC001500035223 1079571746 /nfs/dbraw/zinc/57/17/46/1079571746.db2.gz MALUYTLJUYWDBO-KRWDZBQOSA-N 1 1 398.511 3.740 20 5 GHBDMO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001655735688 1126255778 /nfs/dbraw/zinc/25/57/78/1126255778.db2.gz GPOOVGZYZQPDRG-KRWDZBQOSA-N 1 1 397.244 3.580 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164625175 719074279 /nfs/dbraw/zinc/07/42/79/719074279.db2.gz MYOYHHCHVFRCPO-DYESRHJHSA-N 1 1 389.459 3.639 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC001164629095 719085401 /nfs/dbraw/zinc/08/54/01/719085401.db2.gz VNXIPLXQXNRHDJ-QFBILLFUSA-N 1 1 377.448 3.572 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c21 ZINC001164631515 719108915 /nfs/dbraw/zinc/10/89/15/719108915.db2.gz YKFKNRDNSYTOEG-YLJYHZDGSA-N 1 1 389.459 3.639 20 5 GHBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001164924952 721865065 /nfs/dbraw/zinc/86/50/65/721865065.db2.gz MFXGEDJQEZQZLH-MSOLQXFVSA-N 1 1 395.938 3.651 20 5 GHBDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001164924952 721865068 /nfs/dbraw/zinc/86/50/68/721865068.db2.gz MFXGEDJQEZQZLH-MSOLQXFVSA-N 1 1 395.938 3.651 20 5 GHBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955832 722014646 /nfs/dbraw/zinc/01/46/46/722014646.db2.gz ZZLWAJMXIHFSKO-UHFFFAOYSA-N 1 1 387.871 3.531 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1N1CCOCC1 ZINC000177990487 837500876 /nfs/dbraw/zinc/50/08/76/837500876.db2.gz YBZNSRZQPQVTPD-UHFFFAOYSA-N 1 1 375.856 3.717 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1N1CCOCC1 ZINC000177990487 837500882 /nfs/dbraw/zinc/50/08/82/837500882.db2.gz YBZNSRZQPQVTPD-UHFFFAOYSA-N 1 1 375.856 3.717 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000613296906 837538646 /nfs/dbraw/zinc/53/86/46/837538646.db2.gz FJXPBPCPWAWLPJ-SFHVURJKSA-N 1 1 382.464 3.950 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471394064 837540381 /nfs/dbraw/zinc/54/03/81/837540381.db2.gz JXGHCBQTFMLZTJ-CALCHBBNSA-N 1 1 399.878 3.761 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000177146004 837796925 /nfs/dbraw/zinc/79/69/25/837796925.db2.gz SYWWRFVSIPXJFZ-FQEVSTJZSA-N 1 1 397.475 3.565 20 5 GHBDMO C[C@@H](C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CO)c1ccccc1 ZINC000583582531 834692047 /nfs/dbraw/zinc/69/20/47/834692047.db2.gz PLXAVKPGMUDEGU-HOTGVXAUSA-N 1 1 396.447 3.631 20 5 GHBDMO O=[N+]([O-])c1c(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)nc2sccn21 ZINC000052473600 834756314 /nfs/dbraw/zinc/75/63/14/834756314.db2.gz FNZRYSNCHYNJFR-UHFFFAOYSA-N 1 1 393.419 3.659 20 5 GHBDMO C[C@H](C[C@H](C)[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000583630663 834784955 /nfs/dbraw/zinc/78/49/55/834784955.db2.gz NHTPKURLTIMVLO-WDEREUQCSA-N 1 1 382.258 3.833 20 5 GHBDMO Cc1c(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000510070777 834848376 /nfs/dbraw/zinc/84/83/76/834848376.db2.gz KEPGXFFYKRBNAW-VQIMIIECSA-N 1 1 381.476 3.934 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](OCCCc4ccccc4)C3)nc2c1 ZINC000177213497 837826620 /nfs/dbraw/zinc/82/66/20/837826620.db2.gz NWPMBVABDUHLCS-SFHVURJKSA-N 1 1 381.432 3.960 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](OCCCc4ccccc4)C3)nc2c1 ZINC000177213497 837826631 /nfs/dbraw/zinc/82/66/31/837826631.db2.gz NWPMBVABDUHLCS-SFHVURJKSA-N 1 1 381.432 3.960 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000511309464 835189261 /nfs/dbraw/zinc/18/92/61/835189261.db2.gz PEPYHMNLIGOHRC-MRXNPFEDSA-N 1 1 394.475 3.587 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000430220018 835231691 /nfs/dbraw/zinc/23/16/91/835231691.db2.gz PECRXYIVRLTQGE-JTQLQIEISA-N 1 1 386.374 3.830 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1 ZINC000610223473 835254258 /nfs/dbraw/zinc/25/42/58/835254258.db2.gz LNLLBCJYXMKBHI-NRFANRHFSA-N 1 1 381.476 3.716 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000536180099 835350969 /nfs/dbraw/zinc/35/09/69/835350969.db2.gz MWRXJBXGCSXGFH-UHFFFAOYSA-N 1 1 383.448 3.725 20 5 GHBDMO COc1ccccc1[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612073315 835457147 /nfs/dbraw/zinc/45/71/47/835457147.db2.gz LAHJPRZCIRLNBZ-FUHWJXTLSA-N 1 1 386.448 3.570 20 5 GHBDMO Cc1cc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000510121932 835489255 /nfs/dbraw/zinc/48/92/55/835489255.db2.gz ZTZQELDCQNPAAI-IEBWSBKVSA-N 1 1 381.476 3.934 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1csc([N+](=O)[O-])c1 ZINC000612127883 835569699 /nfs/dbraw/zinc/56/96/99/835569699.db2.gz AHOMLIFNZNMUNM-RYQLBKOJSA-N 1 1 385.489 3.687 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000612132453 835587527 /nfs/dbraw/zinc/58/75/27/835587527.db2.gz SVEZIFOQZSOXAJ-DFQSSKMNSA-N 1 1 379.460 3.625 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccc(Cl)c1 ZINC000052906468 835797102 /nfs/dbraw/zinc/79/71/02/835797102.db2.gz OGIPMCNXVZCFHK-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccc(Cl)c1 ZINC000052906468 835797112 /nfs/dbraw/zinc/79/71/12/835797112.db2.gz OGIPMCNXVZCFHK-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000612181358 835817292 /nfs/dbraw/zinc/81/72/92/835817292.db2.gz CRRRNAOWWDPUBR-JKSUJKDBSA-N 1 1 388.773 3.872 20 5 GHBDMO CCCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179612359 835890758 /nfs/dbraw/zinc/89/07/58/835890758.db2.gz WSZBXOHVGTVAEA-KRWDZBQOSA-N 1 1 392.477 3.644 20 5 GHBDMO CCCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179612359 835890762 /nfs/dbraw/zinc/89/07/62/835890762.db2.gz WSZBXOHVGTVAEA-KRWDZBQOSA-N 1 1 392.477 3.644 20 5 GHBDMO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000611825201 835906686 /nfs/dbraw/zinc/90/66/86/835906686.db2.gz ZZDOEKSZEAKOJU-QGZVFWFLSA-N 1 1 398.463 3.637 20 5 GHBDMO COc1ccc(C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)cc1 ZINC000060089856 836019310 /nfs/dbraw/zinc/01/93/10/836019310.db2.gz GOFWJFVIVJRJJK-UHFFFAOYSA-N 1 1 383.448 3.905 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000302050946 861190344 /nfs/dbraw/zinc/19/03/44/861190344.db2.gz NWGFHHOBUDYRNN-INIZCTEOSA-N 1 1 395.381 3.792 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000411186665 836082889 /nfs/dbraw/zinc/08/28/89/836082889.db2.gz QVYZPCQRBOHWJG-LBPRGKRZSA-N 1 1 393.390 3.903 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000411186665 836082898 /nfs/dbraw/zinc/08/28/98/836082898.db2.gz QVYZPCQRBOHWJG-LBPRGKRZSA-N 1 1 393.390 3.903 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000582138745 836238092 /nfs/dbraw/zinc/23/80/92/836238092.db2.gz ZWIJHPSTAUGWMQ-SFHVURJKSA-N 1 1 399.516 3.706 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000582138745 836238103 /nfs/dbraw/zinc/23/81/03/836238103.db2.gz ZWIJHPSTAUGWMQ-SFHVURJKSA-N 1 1 399.516 3.706 20 5 GHBDMO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000431821214 836249167 /nfs/dbraw/zinc/24/91/67/836249167.db2.gz DUXBLIOVUILCNU-DOTOQJQBSA-N 1 1 398.463 3.632 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000043149534 836284120 /nfs/dbraw/zinc/28/41/20/836284120.db2.gz HRWMTUGJERSRHM-UHFFFAOYSA-N 1 1 386.427 3.782 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000043149534 836284130 /nfs/dbraw/zinc/28/41/30/836284130.db2.gz HRWMTUGJERSRHM-UHFFFAOYSA-N 1 1 386.427 3.782 20 5 GHBDMO O=C(CC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411735277 836304651 /nfs/dbraw/zinc/30/46/51/836304651.db2.gz VVLIAJGGTVOWNI-KRWDZBQOSA-N 1 1 399.451 3.801 20 5 GHBDMO O=C(CC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411735277 836304663 /nfs/dbraw/zinc/30/46/63/836304663.db2.gz VVLIAJGGTVOWNI-KRWDZBQOSA-N 1 1 399.451 3.801 20 5 GHBDMO COc1ccc(OCC[N@H+]2CC[C@H](COCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000173988306 836353912 /nfs/dbraw/zinc/35/39/12/836353912.db2.gz CIYHMDMHVMRNAC-SFHVURJKSA-N 1 1 386.448 3.521 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000612531165 836367822 /nfs/dbraw/zinc/36/78/22/836367822.db2.gz RHAZPNNEVIXQQF-ZDUSSCGKSA-N 1 1 382.395 3.648 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1[N+](=O)[O-] ZINC000414180113 836425309 /nfs/dbraw/zinc/42/53/09/836425309.db2.gz LGDNUDIXZHDWFN-SDDDUWNISA-N 1 1 392.477 3.979 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000411941748 836442305 /nfs/dbraw/zinc/44/23/05/836442305.db2.gz LVCZTTDVDUWZIJ-HUUCEWRRSA-N 1 1 394.374 3.513 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000411941748 836442308 /nfs/dbraw/zinc/44/23/08/836442308.db2.gz LVCZTTDVDUWZIJ-HUUCEWRRSA-N 1 1 394.374 3.513 20 5 GHBDMO Cc1c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126251503 844188044 /nfs/dbraw/zinc/18/80/44/844188044.db2.gz JKCZKLFUDCSFRF-CYBMUJFWSA-N 1 1 392.456 3.504 20 5 GHBDMO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(Cl)c1 ZINC000584498312 836741060 /nfs/dbraw/zinc/74/10/60/836741060.db2.gz JPRCWSHTSIYZEW-KRWDZBQOSA-N 1 1 376.840 3.918 20 5 GHBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000175306465 836759197 /nfs/dbraw/zinc/75/91/97/836759197.db2.gz DLFDOWDORUWYND-GFCCVEGCSA-N 1 1 386.399 3.534 20 5 GHBDMO O=C(CC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000412002696 836913961 /nfs/dbraw/zinc/91/39/61/836913961.db2.gz UVCXCQRVAFDFGT-NRFANRHFSA-N 1 1 395.459 3.777 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000175836012 837015867 /nfs/dbraw/zinc/01/58/67/837015867.db2.gz FRPLANOPXAZAKP-HNNXBMFYSA-N 1 1 393.447 3.992 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000180067358 837064559 /nfs/dbraw/zinc/06/45/59/837064559.db2.gz FXDQKIHNLXJDEA-VQTJNVASSA-N 1 1 396.447 3.703 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000728933358 844237457 /nfs/dbraw/zinc/23/74/57/844237457.db2.gz HVJKZADTSMVVSR-UHFFFAOYSA-N 1 1 393.484 3.682 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535698280 844320727 /nfs/dbraw/zinc/32/07/27/844320727.db2.gz HJMCVTWERBXKSZ-UHFFFAOYSA-N 1 1 380.448 3.846 20 5 GHBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000378088947 838406789 /nfs/dbraw/zinc/40/67/89/838406789.db2.gz RVGOIILQCHLULM-UHFFFAOYSA-N 1 1 397.479 3.574 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](C2CC2)C1)Nc1cc(N2CC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000535727170 844352332 /nfs/dbraw/zinc/35/23/32/844352332.db2.gz SDKJMNHHDULDSF-MSOLQXFVSA-N 1 1 398.507 3.502 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000275752185 838686540 /nfs/dbraw/zinc/68/65/40/838686540.db2.gz DMMHINSQEBEGMK-ZIAGYGMSSA-N 1 1 379.888 3.939 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)nc1 ZINC000118866247 838735531 /nfs/dbraw/zinc/73/55/31/838735531.db2.gz IUXDBCGSQTUJGP-QGZVFWFLSA-N 1 1 391.431 3.864 20 5 GHBDMO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000070870156 838770058 /nfs/dbraw/zinc/77/00/58/838770058.db2.gz ZUTSUFFAXLMWSY-INIZCTEOSA-N 1 1 384.480 3.553 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000560984874 838891234 /nfs/dbraw/zinc/89/12/34/838891234.db2.gz RARXEDNOAGTVNJ-UHFFFAOYSA-N 1 1 385.464 3.764 20 5 GHBDMO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541347750 838904270 /nfs/dbraw/zinc/90/42/70/838904270.db2.gz MSKDXFFWDABGPD-IBGZPJMESA-N 1 1 376.478 3.698 20 5 GHBDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541347750 838904276 /nfs/dbraw/zinc/90/42/76/838904276.db2.gz MSKDXFFWDABGPD-IBGZPJMESA-N 1 1 376.478 3.698 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000397966425 844395547 /nfs/dbraw/zinc/39/55/47/844395547.db2.gz GZYASUQCJLWFBW-CJNGLKHVSA-N 1 1 383.477 3.922 20 5 GHBDMO O=C([C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000378411393 839072517 /nfs/dbraw/zinc/07/25/17/839072517.db2.gz VGUNSBAUCRCHPM-KRWDZBQOSA-N 1 1 391.899 3.863 20 5 GHBDMO COc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1[N+](=O)[O-] ZINC000175798162 839127508 /nfs/dbraw/zinc/12/75/08/839127508.db2.gz PFHFPSQVPYEOON-CYBMUJFWSA-N 1 1 380.404 3.589 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549166325 839133522 /nfs/dbraw/zinc/13/35/22/839133522.db2.gz PGGQNYWHXXFPOY-OAQYLSRUSA-N 1 1 383.492 3.994 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](C)C1 ZINC000275822398 839245548 /nfs/dbraw/zinc/24/55/48/839245548.db2.gz SMYDUQCGXWFYPG-YCRPNKLZSA-N 1 1 377.488 3.896 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CC1(O)CCCCCC1 ZINC000187347482 839441275 /nfs/dbraw/zinc/44/12/75/839441275.db2.gz ODNBVZRIBUMNSO-CYBMUJFWSA-N 1 1 383.876 3.592 20 5 GHBDMO C[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000312251266 839485283 /nfs/dbraw/zinc/48/52/83/839485283.db2.gz ABACSVQQVHZWBR-FQEVSTJZSA-N 1 1 387.867 3.890 20 5 GHBDMO CCC[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001266608992 839490173 /nfs/dbraw/zinc/49/01/73/839490173.db2.gz WOLMYUPRNGCHFI-HXUWFJFHSA-N 1 1 399.466 3.790 20 5 GHBDMO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000025461100 844461630 /nfs/dbraw/zinc/46/16/30/844461630.db2.gz XYYNGHVMHPRHEO-UHFFFAOYSA-N 1 1 387.867 3.815 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610445958 839721033 /nfs/dbraw/zinc/72/10/33/839721033.db2.gz LRIKKBJCZOXYQM-INIZCTEOSA-N 1 1 392.459 3.813 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412155168 839842050 /nfs/dbraw/zinc/84/20/50/839842050.db2.gz DIYIHMZSSTZDKI-FBEWHJACSA-N 1 1 393.487 3.725 20 5 GHBDMO Cc1cn(C[N@H+](CCc2ccccc2)C2CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728706734 839974403 /nfs/dbraw/zinc/97/44/03/839974403.db2.gz DHIFKTILQJBIAZ-UHFFFAOYSA-N 1 1 392.459 3.520 20 5 GHBDMO Cc1cn(C[N@@H+](CCc2ccccc2)C2CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728706734 839974410 /nfs/dbraw/zinc/97/44/10/839974410.db2.gz DHIFKTILQJBIAZ-UHFFFAOYSA-N 1 1 392.459 3.520 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000610458534 840109350 /nfs/dbraw/zinc/10/93/50/840109350.db2.gz NNXNDZKQOCQVTB-MSOLQXFVSA-N 1 1 396.491 3.962 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+](CCc2cccc(F)c2)C2CC2)o1 ZINC001167433667 840146440 /nfs/dbraw/zinc/14/64/40/840146440.db2.gz JLEKOUFWVWIXBA-UHFFFAOYSA-N 1 1 382.395 3.991 20 5 GHBDMO CSC1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH+](C)CC1 ZINC000580781209 840171441 /nfs/dbraw/zinc/17/14/41/840171441.db2.gz YYYIPGSNDRTOPL-UHFFFAOYSA-N 1 1 392.550 3.635 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CNc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000429802725 840465349 /nfs/dbraw/zinc/46/53/49/840465349.db2.gz ZDMJRDFDHWSBOO-IYBDPMFKSA-N 1 1 385.464 3.825 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CNc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000429802725 840465357 /nfs/dbraw/zinc/46/53/57/840465357.db2.gz ZDMJRDFDHWSBOO-IYBDPMFKSA-N 1 1 385.464 3.825 20 5 GHBDMO COc1cc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1[N+](=O)[O-] ZINC000119352021 840468384 /nfs/dbraw/zinc/46/83/84/840468384.db2.gz KCMWUNHDWSGSIH-ZDUSSCGKSA-N 1 1 380.404 3.589 20 5 GHBDMO Cn1cc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511664987 840493093 /nfs/dbraw/zinc/49/30/93/840493093.db2.gz QLQTVINVMKZEGT-NRFANRHFSA-N 1 1 392.459 3.741 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000110651884 840507794 /nfs/dbraw/zinc/50/77/94/840507794.db2.gz PAEOXEJZWZYFDP-CQSZACIVSA-N 1 1 379.526 3.946 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000511759577 840648660 /nfs/dbraw/zinc/64/86/60/840648660.db2.gz ZGLIZWVYLOKDJM-HXUWFJFHSA-N 1 1 399.466 3.693 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511804828 840816965 /nfs/dbraw/zinc/81/69/65/840816965.db2.gz FUGCPXJQXNXQID-HXUWFJFHSA-N 1 1 381.476 3.934 20 5 GHBDMO CCC(=O)N1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000124210548 840821327 /nfs/dbraw/zinc/82/13/27/840821327.db2.gz BLGXQFXGODVAGM-UHFFFAOYSA-N 1 1 396.491 3.807 20 5 GHBDMO CCC(=O)N1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000124210548 840821334 /nfs/dbraw/zinc/82/13/34/840821334.db2.gz BLGXQFXGODVAGM-UHFFFAOYSA-N 1 1 396.491 3.807 20 5 GHBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312950144 840916254 /nfs/dbraw/zinc/91/62/54/840916254.db2.gz HWTSZOCDFVUWOQ-WMLDXEAASA-N 1 1 387.867 3.889 20 5 GHBDMO CSc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181679375 840990857 /nfs/dbraw/zinc/99/08/57/840990857.db2.gz PIVPQFXEWVNHIH-HIFRSBDPSA-N 1 1 377.510 3.700 20 5 GHBDMO COc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000573611139 844606371 /nfs/dbraw/zinc/60/63/71/844606371.db2.gz WNPQTEALCPAPBS-PMACEKPBSA-N 1 1 381.476 3.557 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)c21 ZINC000581336923 841101046 /nfs/dbraw/zinc/10/10/46/841101046.db2.gz LLJKODXNONWDRV-UHFFFAOYSA-N 1 1 399.401 3.893 20 5 GHBDMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)n1 ZINC000181625557 841295407 /nfs/dbraw/zinc/29/54/07/841295407.db2.gz LFLLRZGXOWVAQX-HNNXBMFYSA-N 1 1 380.857 3.693 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000181630189 841357139 /nfs/dbraw/zinc/35/71/39/841357139.db2.gz QEJXNUZJVGKLTI-RHSMWYFYSA-N 1 1 377.510 3.652 20 5 GHBDMO C[C@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000131098706 861194869 /nfs/dbraw/zinc/19/48/69/861194869.db2.gz OOIGZXLTSGCVOG-QFBILLFUSA-N 1 1 399.516 3.607 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001167461388 841381873 /nfs/dbraw/zinc/38/18/73/841381873.db2.gz GVDNJZVNVIKKQD-UHFFFAOYSA-N 1 1 393.285 3.526 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178031694 841507856 /nfs/dbraw/zinc/50/78/56/841507856.db2.gz WBLFIASDEUZCII-MRXNPFEDSA-N 1 1 385.439 3.572 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178031694 841507871 /nfs/dbraw/zinc/50/78/71/841507871.db2.gz WBLFIASDEUZCII-MRXNPFEDSA-N 1 1 385.439 3.572 20 5 GHBDMO C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000108466611 841621760 /nfs/dbraw/zinc/62/17/60/841621760.db2.gz NTFSEGLUTNNZLV-BBWFWOEESA-N 1 1 376.501 3.713 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCOc1ccccc1F ZINC000015046587 841822640 /nfs/dbraw/zinc/82/26/40/841822640.db2.gz ALLLQSNGVACHMS-LBPRGKRZSA-N 1 1 395.818 3.725 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCOc1ccccc1F ZINC000015046587 841822645 /nfs/dbraw/zinc/82/26/45/841822645.db2.gz ALLLQSNGVACHMS-LBPRGKRZSA-N 1 1 395.818 3.725 20 5 GHBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312694777 841871014 /nfs/dbraw/zinc/87/10/14/841871014.db2.gz NBAWPFIFVREKRS-ZBFHGGJFSA-N 1 1 387.867 3.889 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)o2)c(Cl)c1 ZINC000600209910 861251397 /nfs/dbraw/zinc/25/13/97/861251397.db2.gz XQHMKXKWHXIKPH-RIDFSIMASA-N 1 1 394.880 3.994 20 5 GHBDMO COc1ccc([C@@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000026918936 842173992 /nfs/dbraw/zinc/17/39/92/842173992.db2.gz HMNXBMHZLIPAMU-CQSZACIVSA-N 1 1 387.436 3.634 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000603868412 861298784 /nfs/dbraw/zinc/29/87/84/861298784.db2.gz LXBFDVQMHCYAPH-SFHVURJKSA-N 1 1 394.431 3.861 20 5 GHBDMO CC[C@H](OC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001266836083 842386576 /nfs/dbraw/zinc/38/65/76/842386576.db2.gz YNDRUPSOYRLDGP-SFTDATJTSA-N 1 1 397.475 3.578 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(Cc4ccncc4)CC3)o2)cc1 ZINC000182043224 842408630 /nfs/dbraw/zinc/40/86/30/842408630.db2.gz IIKPRDSLKORCOW-UHFFFAOYSA-N 1 1 378.432 3.568 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000510624001 843075323 /nfs/dbraw/zinc/07/53/23/843075323.db2.gz FFZYNWOBOPCMIH-HXUWFJFHSA-N 1 1 381.476 3.698 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000510624001 843075335 /nfs/dbraw/zinc/07/53/35/843075335.db2.gz FFZYNWOBOPCMIH-HXUWFJFHSA-N 1 1 381.476 3.698 20 5 GHBDMO COc1cc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000510808320 843528512 /nfs/dbraw/zinc/52/85/12/843528512.db2.gz XLTSBBIDSISJPT-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599637906 861432688 /nfs/dbraw/zinc/43/26/88/861432688.db2.gz XFUQNQWNPZPNIJ-HNNXBMFYSA-N 1 1 379.258 3.699 20 5 GHBDMO COc1cc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000510885106 843723832 /nfs/dbraw/zinc/72/38/32/843723832.db2.gz VMHXNKQJLHMTNL-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)c(Cl)c1 ZINC000433267327 843941834 /nfs/dbraw/zinc/94/18/34/843941834.db2.gz ZGRQALSYGAGOIE-UHFFFAOYSA-N 1 1 393.802 3.817 20 5 GHBDMO CC1(C)C[C@@H](NCC2([NH+]3CCCCC3)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433282594 843954881 /nfs/dbraw/zinc/95/48/81/843954881.db2.gz MWDRDJSUDUEUEL-HXUWFJFHSA-N 1 1 387.524 3.942 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1OC ZINC000433297419 843994852 /nfs/dbraw/zinc/99/48/52/843994852.db2.gz LFCKMOBNCHCGID-MGPUTAFESA-N 1 1 392.496 3.908 20 5 GHBDMO COC[C@@H](C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000599684257 861525281 /nfs/dbraw/zinc/52/52/81/861525281.db2.gz XJXWIJNUYREGPW-IERDGZPVSA-N 1 1 397.475 3.582 20 5 GHBDMO CSc1ccccc1NC(=O)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055898291 845638124 /nfs/dbraw/zinc/63/81/24/845638124.db2.gz AQUWFGYZIOAHAI-UHFFFAOYSA-N 1 1 389.477 3.656 20 5 GHBDMO CSc1ccccc1NC(=O)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055898291 845638128 /nfs/dbraw/zinc/63/81/28/845638128.db2.gz AQUWFGYZIOAHAI-UHFFFAOYSA-N 1 1 389.477 3.656 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cnnn2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000491400495 861590989 /nfs/dbraw/zinc/59/09/89/861590989.db2.gz LFPUSMGHPBMDNA-UHFFFAOYSA-N 1 1 391.353 3.543 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000421479843 846262753 /nfs/dbraw/zinc/26/27/53/846262753.db2.gz GSPGCAXBGDBDEI-HKUYNNGSSA-N 1 1 381.476 3.995 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC3(CCO3)CC2)cc1OC ZINC000582134028 846452570 /nfs/dbraw/zinc/45/25/70/846452570.db2.gz NMPSNUGCNMEJQZ-HNNXBMFYSA-N 1 1 378.469 3.783 20 5 GHBDMO CCN(CCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513755220 846478052 /nfs/dbraw/zinc/47/80/52/846478052.db2.gz QXOXTYFCBKLPFI-NRFANRHFSA-N 1 1 393.491 3.924 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413228735 846972933 /nfs/dbraw/zinc/97/29/33/846972933.db2.gz CBLRQROFHIICPD-BBRMVZONSA-N 1 1 395.385 3.533 20 5 GHBDMO CCCn1nccc1C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000501560962 847020554 /nfs/dbraw/zinc/02/05/54/847020554.db2.gz KPGBNNJVWYLSKL-INIZCTEOSA-N 1 1 399.495 3.716 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000481568681 861744945 /nfs/dbraw/zinc/74/49/45/861744945.db2.gz DRMXXJSIPIPDSZ-UHFFFAOYSA-N 1 1 398.385 3.638 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000511111556 847076773 /nfs/dbraw/zinc/07/67/73/847076773.db2.gz VPCZMVNTFOUQRE-INIZCTEOSA-N 1 1 382.382 3.692 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001267115184 847106918 /nfs/dbraw/zinc/10/69/18/847106918.db2.gz HVDURBDNGHZBQL-UHFFFAOYSA-N 1 1 375.856 3.889 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000127590253 847108984 /nfs/dbraw/zinc/10/89/84/847108984.db2.gz UXTCKOWAZVLUMU-OAHLLOKOSA-N 1 1 382.464 3.780 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599831674 861760370 /nfs/dbraw/zinc/76/03/70/861760370.db2.gz VSHURRWRMJHTJX-HNNXBMFYSA-N 1 1 385.468 3.777 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000127731488 847364728 /nfs/dbraw/zinc/36/47/28/847364728.db2.gz RGZQLJCFYMMRRL-LJQANCHMSA-N 1 1 396.491 3.898 20 5 GHBDMO CCC(=O)c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000479315641 847590270 /nfs/dbraw/zinc/59/02/70/847590270.db2.gz JPROBQDGJZVUNC-LJQANCHMSA-N 1 1 397.475 3.891 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000479776488 847853237 /nfs/dbraw/zinc/85/32/37/847853237.db2.gz HOOAFBYMUUETBL-HXUWFJFHSA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000421243554 847902740 /nfs/dbraw/zinc/90/27/40/847902740.db2.gz NBGIYPOIDNTODU-UHFFFAOYSA-N 1 1 394.431 3.761 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc([NH+]2CCCC2)cc1C ZINC000052774369 847943922 /nfs/dbraw/zinc/94/39/22/847943922.db2.gz VRPZZGPJECHLIO-HNNXBMFYSA-N 1 1 398.463 3.951 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000479931270 847952934 /nfs/dbraw/zinc/95/29/34/847952934.db2.gz XMPCLQHTXAHMIN-GOSISDBHSA-N 1 1 394.431 3.861 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000480011498 848027750 /nfs/dbraw/zinc/02/77/50/848027750.db2.gz IMEXUMPWXXCJDD-NVXWUHKLSA-N 1 1 377.485 3.736 20 5 GHBDMO CCOC(=O)c1cc(NCc2ccc(C)[nH+]c2N2CCCC2)ccc1[N+](=O)[O-] ZINC000611584032 848168961 /nfs/dbraw/zinc/16/89/61/848168961.db2.gz RTOSBBFUZPDNIO-UHFFFAOYSA-N 1 1 384.436 3.687 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc(Br)c1OC ZINC000061116156 848390069 /nfs/dbraw/zinc/39/00/69/848390069.db2.gz BJAPGGMCYQGYFR-UHFFFAOYSA-N 1 1 381.226 3.664 20 5 GHBDMO COc1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000272894005 861953708 /nfs/dbraw/zinc/95/37/08/861953708.db2.gz ZFOAOLKRWUIJAP-QGZVFWFLSA-N 1 1 398.463 3.589 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000247947335 849053232 /nfs/dbraw/zinc/05/32/32/849053232.db2.gz WVIHTYJNXDQXAV-GJZGRUSLSA-N 1 1 379.526 3.702 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132358630 862031085 /nfs/dbraw/zinc/03/10/85/862031085.db2.gz PGGMQTYHZXDGNF-SJORKVTESA-N 1 1 385.489 3.783 20 5 GHBDMO C[N@H+](Cc1cccs1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000583291478 849558956 /nfs/dbraw/zinc/55/89/56/849558956.db2.gz QMEPQQAZKUKAJM-UHFFFAOYSA-N 1 1 388.230 3.893 20 5 GHBDMO C[N@@H+](Cc1cccs1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000583291478 849558967 /nfs/dbraw/zinc/55/89/67/849558967.db2.gz QMEPQQAZKUKAJM-UHFFFAOYSA-N 1 1 388.230 3.893 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)COc1cccc3ccccc31)C2 ZINC000536007786 849764745 /nfs/dbraw/zinc/76/47/45/849764745.db2.gz NTFQKVKBPXJQNS-SFHVURJKSA-N 1 1 378.428 3.546 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)COc1cccc3ccccc31)C2 ZINC000536007786 849764754 /nfs/dbraw/zinc/76/47/54/849764754.db2.gz NTFQKVKBPXJQNS-SFHVURJKSA-N 1 1 378.428 3.546 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423380351 849892924 /nfs/dbraw/zinc/89/29/24/849892924.db2.gz YLMXHJKXCWNJMT-NRXGSXMXSA-N 1 1 375.419 3.539 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825590 862091782 /nfs/dbraw/zinc/09/17/82/862091782.db2.gz SFKTVMQNBOBFLF-HUUCEWRRSA-N 1 1 394.431 3.943 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825590 862091797 /nfs/dbraw/zinc/09/17/97/862091797.db2.gz SFKTVMQNBOBFLF-HUUCEWRRSA-N 1 1 394.431 3.943 20 5 GHBDMO CNC(=O)c1ccc(S[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000425282582 850105570 /nfs/dbraw/zinc/10/55/70/850105570.db2.gz NQCOKCALTWJFGK-QGZVFWFLSA-N 1 1 385.489 3.711 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCCO)Cc3ccccc3)o2)c1 ZINC000486801564 850124830 /nfs/dbraw/zinc/12/48/30/850124830.db2.gz VEDOVCXWAARTNB-UHFFFAOYSA-N 1 1 381.432 3.677 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000514683206 850135650 /nfs/dbraw/zinc/13/56/50/850135650.db2.gz UJNHLMZYBGYTTR-MSOLQXFVSA-N 1 1 387.524 3.985 20 5 GHBDMO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000505613696 850149086 /nfs/dbraw/zinc/14/90/86/850149086.db2.gz RHMUEYHSDHQEDW-UHFFFAOYSA-N 1 1 377.448 3.616 20 5 GHBDMO C[C@H](c1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000514771608 850269666 /nfs/dbraw/zinc/26/96/66/850269666.db2.gz UIOVKILAIJUFSZ-JKSUJKDBSA-N 1 1 383.448 3.730 20 5 GHBDMO CCC[N@@H+](CC)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435324244 850355953 /nfs/dbraw/zinc/35/59/53/850355953.db2.gz USPQBOCVDLVXFM-UHFFFAOYSA-N 1 1 387.278 3.519 20 5 GHBDMO Cc1sc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000569655385 850378572 /nfs/dbraw/zinc/37/85/72/850378572.db2.gz SJDWFECVCSXXKX-KRWDZBQOSA-N 1 1 387.505 3.997 20 5 GHBDMO COc1ccc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000435428807 850511089 /nfs/dbraw/zinc/51/10/89/850511089.db2.gz SVXNRYSPMBBBPA-IBGZPJMESA-N 1 1 387.505 3.809 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000439871964 850519680 /nfs/dbraw/zinc/51/96/80/850519680.db2.gz ATRDHIJOICMMLT-GJZGRUSLSA-N 1 1 390.484 3.768 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1cccc(O)c1 ZINC000174617052 850536941 /nfs/dbraw/zinc/53/69/41/850536941.db2.gz CPUKMAKXFDJUHP-GFCCVEGCSA-N 1 1 377.828 3.975 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1cccc(O)c1 ZINC000174617052 850536945 /nfs/dbraw/zinc/53/69/45/850536945.db2.gz CPUKMAKXFDJUHP-GFCCVEGCSA-N 1 1 377.828 3.975 20 5 GHBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425012595 850863601 /nfs/dbraw/zinc/86/36/01/850863601.db2.gz PJNZQCCMEJQIPK-QFBILLFUSA-N 1 1 391.427 3.688 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425014138 850864703 /nfs/dbraw/zinc/86/47/03/850864703.db2.gz SJDMOUIIBBTKHK-GHTZIAJQSA-N 1 1 379.460 3.558 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000488054090 851126207 /nfs/dbraw/zinc/12/62/07/851126207.db2.gz PRZKQLUSXBLWLX-WMZOPIPTSA-N 1 1 396.491 3.965 20 5 GHBDMO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc2c(c1)OCCO2 ZINC000488163422 851214839 /nfs/dbraw/zinc/21/48/39/851214839.db2.gz YZMNOEXYCCXJIZ-UHFFFAOYSA-N 1 1 382.416 3.603 20 5 GHBDMO O=C(CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc2c(c1)OCCO2 ZINC000488163422 851214850 /nfs/dbraw/zinc/21/48/50/851214850.db2.gz YZMNOEXYCCXJIZ-UHFFFAOYSA-N 1 1 382.416 3.603 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000162969880 862229019 /nfs/dbraw/zinc/22/90/19/862229019.db2.gz NEQDEFIWMNNNRP-UHFFFAOYSA-N 1 1 386.427 3.782 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000162969880 862229041 /nfs/dbraw/zinc/22/90/41/862229041.db2.gz NEQDEFIWMNNNRP-UHFFFAOYSA-N 1 1 386.427 3.782 20 5 GHBDMO CCOc1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)ccc1[N+](=O)[O-] ZINC000489005874 851934107 /nfs/dbraw/zinc/93/41/07/851934107.db2.gz CPWZZPFEVPBTJY-HNNXBMFYSA-N 1 1 375.400 3.571 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)ccc1[N+](=O)[O-] ZINC000489005874 851934110 /nfs/dbraw/zinc/93/41/10/851934110.db2.gz CPWZZPFEVPBTJY-HNNXBMFYSA-N 1 1 375.400 3.571 20 5 GHBDMO Cc1ccc(O[C@@H](C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000516100395 852139016 /nfs/dbraw/zinc/13/90/16/852139016.db2.gz OGWAPQUDXBSYNG-OXJNMPFZSA-N 1 1 380.448 3.783 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000505855241 852140512 /nfs/dbraw/zinc/14/05/12/852140512.db2.gz BPDFRPONBZALOE-IAGOWNOFSA-N 1 1 383.448 3.631 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000505855241 852140520 /nfs/dbraw/zinc/14/05/20/852140520.db2.gz BPDFRPONBZALOE-IAGOWNOFSA-N 1 1 383.448 3.631 20 5 GHBDMO COc1cc(Cl)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Cl ZINC000425999850 852366326 /nfs/dbraw/zinc/36/63/26/852366326.db2.gz QGYUJKISZFMXEK-UHFFFAOYSA-N 1 1 385.251 3.944 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489509254 852418549 /nfs/dbraw/zinc/41/85/49/852418549.db2.gz GJWABFPDHOYWKU-QAPCUYQASA-N 1 1 398.463 3.636 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000426867046 852480314 /nfs/dbraw/zinc/48/03/14/852480314.db2.gz QPWHNCOAWPOEPF-HNNXBMFYSA-N 1 1 399.447 3.576 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1[N+](=O)[O-] ZINC000489680969 852528041 /nfs/dbraw/zinc/52/80/41/852528041.db2.gz DFHFBCZFDMNSKZ-CYBMUJFWSA-N 1 1 398.385 3.735 20 5 GHBDMO COCCO[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000438548429 852560351 /nfs/dbraw/zinc/56/03/51/852560351.db2.gz ANFFCVASBJXDJU-SFHVURJKSA-N 1 1 390.411 3.764 20 5 GHBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000438548429 852560358 /nfs/dbraw/zinc/56/03/58/852560358.db2.gz ANFFCVASBJXDJU-SFHVURJKSA-N 1 1 390.411 3.764 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000426972805 852585538 /nfs/dbraw/zinc/58/55/38/852585538.db2.gz HRNVNPJURRXSSQ-UHFFFAOYSA-N 1 1 397.475 3.588 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000505919691 852589423 /nfs/dbraw/zinc/58/94/23/852589423.db2.gz ULWSECLINGVSPZ-CVEARBPZSA-N 1 1 384.480 3.803 20 5 GHBDMO C[N@H+](Cc1cc(Br)c2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000507142921 852590569 /nfs/dbraw/zinc/59/05/69/852590569.db2.gz KSWMEAGVNUFFNC-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO C[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000507142921 852590574 /nfs/dbraw/zinc/59/05/74/852590574.db2.gz KSWMEAGVNUFFNC-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NCCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000489914605 852666207 /nfs/dbraw/zinc/66/62/07/852666207.db2.gz NGAFLIREPPTLSG-MRXNPFEDSA-N 1 1 376.501 3.918 20 5 GHBDMO Cc1csc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)n1 ZINC000507221164 852669282 /nfs/dbraw/zinc/66/92/82/852669282.db2.gz GEYBQBFGXHVKEY-UHFFFAOYSA-N 1 1 384.461 3.942 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000323769330 852733147 /nfs/dbraw/zinc/73/31/47/852733147.db2.gz YVHZISSTUSKTQZ-HNNXBMFYSA-N 1 1 387.867 3.842 20 5 GHBDMO CCOc1ccc(NC(=O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000490063507 852744215 /nfs/dbraw/zinc/74/42/15/852744215.db2.gz ZZPDVNVFMRNREU-UHFFFAOYSA-N 1 1 383.448 3.987 20 5 GHBDMO COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)c(SC)cc1OC ZINC000490091759 852766835 /nfs/dbraw/zinc/76/68/35/852766835.db2.gz UDMBVRVHCQRWKV-UHFFFAOYSA-N 1 1 392.477 3.975 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)c(SC)cc1OC ZINC000490091759 852766849 /nfs/dbraw/zinc/76/68/49/852766849.db2.gz UDMBVRVHCQRWKV-UHFFFAOYSA-N 1 1 392.477 3.975 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[N@H+]1C1CC1 ZINC000490194469 852822149 /nfs/dbraw/zinc/82/21/49/852822149.db2.gz WECNNXBVNLOTJA-DOTOQJQBSA-N 1 1 394.475 3.562 20 5 GHBDMO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490286373 852898122 /nfs/dbraw/zinc/89/81/22/852898122.db2.gz KAKMAWIQXNMIBR-PKOBYXMFSA-N 1 1 395.503 3.899 20 5 GHBDMO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000913062092 853044506 /nfs/dbraw/zinc/04/45/06/853044506.db2.gz HTSJURPAVGVDCS-HNNXBMFYSA-N 1 1 399.882 3.934 20 5 GHBDMO C[N@@H+](CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000466575161 862449596 /nfs/dbraw/zinc/44/95/96/862449596.db2.gz QXHYZALIHLZFOQ-UHFFFAOYSA-N 1 1 390.871 3.570 20 5 GHBDMO COc1cccc([C@@H](C)[NH+]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000507728626 853345097 /nfs/dbraw/zinc/34/50/97/853345097.db2.gz YXAUAFHSQFKHBI-GOSISDBHSA-N 1 1 399.491 3.751 20 5 GHBDMO Cc1cccnc1C(C)(C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000519675305 853362375 /nfs/dbraw/zinc/36/23/75/853362375.db2.gz YOGMXRCKSKWRCB-GOSISDBHSA-N 1 1 379.464 3.689 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491133117 853468539 /nfs/dbraw/zinc/46/85/39/853468539.db2.gz JSQLGPKAAWBKNV-CYBMUJFWSA-N 1 1 392.818 3.633 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491133117 853468547 /nfs/dbraw/zinc/46/85/47/853468547.db2.gz JSQLGPKAAWBKNV-CYBMUJFWSA-N 1 1 392.818 3.633 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000052866986 853679572 /nfs/dbraw/zinc/67/95/72/853679572.db2.gz AKTFGMJBGBZCTB-AWEZNQCLSA-N 1 1 383.448 3.503 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000439480241 853707025 /nfs/dbraw/zinc/70/70/25/853707025.db2.gz CMCZZKPMRPTSID-KRWDZBQOSA-N 1 1 385.464 3.769 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNc2c[nH+]ccc2-n2ccnn2)s1 ZINC000571955843 854242414 /nfs/dbraw/zinc/24/24/14/854242414.db2.gz ADDTWXNYJJMENJ-UHFFFAOYSA-N 1 1 378.417 3.911 20 5 GHBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589341424 854799137 /nfs/dbraw/zinc/79/91/37/854799137.db2.gz DYHGCEKXWIOSIA-IAGOWNOFSA-N 1 1 398.438 3.720 20 5 GHBDMO Cc1cc(-c2noc([C@H](C)[NH2+]CCOc3ccccc3[N+](=O)[O-])n2)ccc1F ZINC000543543378 862607570 /nfs/dbraw/zinc/60/75/70/862607570.db2.gz BYKAPPPAIXXRBC-ZDUSSCGKSA-N 1 1 386.383 3.822 20 5 GHBDMO C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793301 854825982 /nfs/dbraw/zinc/82/59/82/854825982.db2.gz YVDPVYPKTCQXAO-ARFHVFGLSA-N 1 1 387.505 3.837 20 5 GHBDMO C[C@H](NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793301 854825987 /nfs/dbraw/zinc/82/59/87/854825987.db2.gz YVDPVYPKTCQXAO-ARFHVFGLSA-N 1 1 387.505 3.837 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000609546478 855210350 /nfs/dbraw/zinc/21/03/50/855210350.db2.gz PWHQKELRFOTLQF-SJORKVTESA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000609546478 855210355 /nfs/dbraw/zinc/21/03/55/855210355.db2.gz PWHQKELRFOTLQF-SJORKVTESA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600766 855505417 /nfs/dbraw/zinc/50/54/17/855505417.db2.gz MNLWRRUDJPLVRR-GOEBONIOSA-N 1 1 379.420 3.980 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000427590416 855575632 /nfs/dbraw/zinc/57/56/32/855575632.db2.gz ADUFZGKDAWHJCA-SJLPKXTDSA-N 1 1 397.475 3.729 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000554730340 856020277 /nfs/dbraw/zinc/02/02/77/856020277.db2.gz CPJVJODJXMCLKB-HXUWFJFHSA-N 1 1 396.491 3.695 20 5 GHBDMO Cn1ccc([C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)n1 ZINC000542669053 856395808 /nfs/dbraw/zinc/39/58/08/856395808.db2.gz RGDKXWIAKPVCLV-LJQANCHMSA-N 1 1 386.839 3.740 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)C1CCCCC1)[C@H]1CC[C@H](O)CC1 ZINC000592132194 856675031 /nfs/dbraw/zinc/67/50/31/856675031.db2.gz AWCNVOCESUYJSE-ZJOUEHCJSA-N 1 1 376.497 3.642 20 5 GHBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000427832784 856782848 /nfs/dbraw/zinc/78/28/48/856782848.db2.gz UZOQMAKMQQDMSI-LPHOPBHVSA-N 1 1 397.475 3.901 20 5 GHBDMO CCc1ccc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000173389912 856901756 /nfs/dbraw/zinc/90/17/56/856901756.db2.gz AIQMQQMCTBOMDC-HNNXBMFYSA-N 1 1 383.448 3.803 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000485728879 857001926 /nfs/dbraw/zinc/00/19/26/857001926.db2.gz CSCDIEGLMNFVTF-ZDUSSCGKSA-N 1 1 389.452 3.598 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000485728879 857001956 /nfs/dbraw/zinc/00/19/56/857001956.db2.gz CSCDIEGLMNFVTF-ZDUSSCGKSA-N 1 1 389.452 3.598 20 5 GHBDMO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000245622740 857021361 /nfs/dbraw/zinc/02/13/61/857021361.db2.gz XHAYTEPUBKPEHN-KPOBHBOGSA-N 1 1 389.883 3.971 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000485743042 857033353 /nfs/dbraw/zinc/03/33/53/857033353.db2.gz JJOQSEYQHGGOQJ-OAHLLOKOSA-N 1 1 399.447 3.696 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000485743042 857033362 /nfs/dbraw/zinc/03/33/62/857033362.db2.gz JJOQSEYQHGGOQJ-OAHLLOKOSA-N 1 1 399.447 3.696 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245736013 857155041 /nfs/dbraw/zinc/15/50/41/857155041.db2.gz KUCPFHGLZPPBKJ-IEBWSBKVSA-N 1 1 392.477 3.642 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245736013 857155043 /nfs/dbraw/zinc/15/50/43/857155043.db2.gz KUCPFHGLZPPBKJ-IEBWSBKVSA-N 1 1 392.477 3.642 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000593068011 857194705 /nfs/dbraw/zinc/19/47/05/857194705.db2.gz CDETXAXQGKIJSQ-OXQOHEQNSA-N 1 1 399.466 3.788 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000301700578 857248317 /nfs/dbraw/zinc/24/83/17/857248317.db2.gz FNMKRKNMGDPNSA-OALUTQOASA-N 1 1 379.460 3.746 20 5 GHBDMO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000485975410 857285766 /nfs/dbraw/zinc/28/57/66/857285766.db2.gz IZYCZNPZJXGTPG-SUMWQHHRSA-N 1 1 382.798 3.966 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000485975410 857285782 /nfs/dbraw/zinc/28/57/82/857285782.db2.gz IZYCZNPZJXGTPG-SUMWQHHRSA-N 1 1 382.798 3.966 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000520891330 857368995 /nfs/dbraw/zinc/36/89/95/857368995.db2.gz OMXKISXMERDGRY-OAHLLOKOSA-N 1 1 380.448 3.553 20 5 GHBDMO CCc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301721937 857408423 /nfs/dbraw/zinc/40/84/23/857408423.db2.gz RANNOMWKGXEVNX-LPHOPBHVSA-N 1 1 381.480 3.535 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246585475 857410918 /nfs/dbraw/zinc/41/09/18/857410918.db2.gz SSYMNTXIJIBOHF-RDTXWAMCSA-N 1 1 389.477 3.755 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246585475 857410920 /nfs/dbraw/zinc/41/09/20/857410920.db2.gz SSYMNTXIJIBOHF-RDTXWAMCSA-N 1 1 389.477 3.755 20 5 GHBDMO C[NH+]1CCC2(CC1)CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CCO2 ZINC000592526034 857672628 /nfs/dbraw/zinc/67/26/28/857672628.db2.gz FYHOJHHISLLANF-UHFFFAOYSA-N 1 1 387.505 3.620 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000113900970 857775411 /nfs/dbraw/zinc/77/54/11/857775411.db2.gz YZLMUBNCJPWFHO-ROUUACIJSA-N 1 1 388.512 3.510 20 5 GHBDMO CSc1ccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000521260599 857794238 /nfs/dbraw/zinc/79/42/38/857794238.db2.gz GHGZICMJKQNBQO-IJEWVQPXSA-N 1 1 377.510 3.794 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129137394 857809341 /nfs/dbraw/zinc/80/93/41/857809341.db2.gz JRZSIWYGHXOHEA-MRXNPFEDSA-N 1 1 386.427 3.639 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CCN(c2ccccc2)CC1 ZINC000439000592 857983769 /nfs/dbraw/zinc/98/37/69/857983769.db2.gz LOAFFGSWESNHFO-UHFFFAOYSA-N 1 1 396.491 3.833 20 5 GHBDMO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000159765592 862978728 /nfs/dbraw/zinc/97/87/28/862978728.db2.gz MJNBYNBUSCHXHR-UHFFFAOYSA-N 1 1 382.873 3.596 20 5 GHBDMO CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000159765592 862978738 /nfs/dbraw/zinc/97/87/38/862978738.db2.gz MJNBYNBUSCHXHR-UHFFFAOYSA-N 1 1 382.873 3.596 20 5 GHBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000255585082 858045678 /nfs/dbraw/zinc/04/56/78/858045678.db2.gz YWEMWDZKMYWGCA-VURMDHGXSA-N 1 1 380.492 3.642 20 5 GHBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000255585082 858045688 /nfs/dbraw/zinc/04/56/88/858045688.db2.gz YWEMWDZKMYWGCA-VURMDHGXSA-N 1 1 380.492 3.642 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000114475692 858054701 /nfs/dbraw/zinc/05/47/01/858054701.db2.gz LPRDQLSOZMGRJQ-KRWDZBQOSA-N 1 1 390.528 3.674 20 5 GHBDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000439066838 858204453 /nfs/dbraw/zinc/20/44/53/858204453.db2.gz DWBLSNNTZOWRSL-OXQOHEQNSA-N 1 1 383.496 3.739 20 5 GHBDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000439066838 858204458 /nfs/dbraw/zinc/20/44/58/858204458.db2.gz DWBLSNNTZOWRSL-OXQOHEQNSA-N 1 1 383.496 3.739 20 5 GHBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442884740 858206242 /nfs/dbraw/zinc/20/62/42/858206242.db2.gz UAEIKOBCZVSMPQ-GJZGRUSLSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442884740 858206250 /nfs/dbraw/zinc/20/62/50/858206250.db2.gz UAEIKOBCZVSMPQ-GJZGRUSLSA-N 1 1 385.489 3.911 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCc1nccs1)C(C)C ZINC000159798166 863005115 /nfs/dbraw/zinc/00/51/15/863005115.db2.gz MUJCMMDFVOPHPJ-UHFFFAOYSA-N 1 1 376.482 3.641 20 5 GHBDMO COc1cc(C[NH2+]Cc2cccc(C)c2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000594614969 858241431 /nfs/dbraw/zinc/24/14/31/858241431.db2.gz NVYKZKVDXHBDRD-UHFFFAOYSA-N 1 1 396.390 3.854 20 5 GHBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000592798098 858246490 /nfs/dbraw/zinc/24/64/90/858246490.db2.gz PWWVZAHHSIDGEL-SNVBAGLBSA-N 1 1 381.230 3.706 20 5 GHBDMO CCCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592830100 858296388 /nfs/dbraw/zinc/29/63/88/858296388.db2.gz BLKMIEMUDDLDHH-LJQANCHMSA-N 1 1 396.491 3.763 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1Cc1ccccc1 ZINC000521834002 858372500 /nfs/dbraw/zinc/37/25/00/858372500.db2.gz QOEKHMAIYJJBRX-LJQANCHMSA-N 1 1 391.427 3.746 20 5 GHBDMO CC(C)(C)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccsc1 ZINC000595599987 858627676 /nfs/dbraw/zinc/62/76/76/858627676.db2.gz DZEUUTCESGVVCD-UHFFFAOYSA-N 1 1 391.449 3.624 20 5 GHBDMO CC(C)(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccsc1 ZINC000595599987 858627677 /nfs/dbraw/zinc/62/76/77/858627677.db2.gz DZEUUTCESGVVCD-UHFFFAOYSA-N 1 1 391.449 3.624 20 5 GHBDMO COc1cc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c([N+](=O)[O-])cc1OC ZINC000184974623 858778310 /nfs/dbraw/zinc/77/83/10/858778310.db2.gz FNAKYHJUUJUOJT-AWEZNQCLSA-N 1 1 391.493 3.552 20 5 GHBDMO C[C@H](NC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596167119 858811086 /nfs/dbraw/zinc/81/10/86/858811086.db2.gz DHYZPVPIDZTTDH-UWJYYQICSA-N 1 1 396.491 3.614 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856535394 881347231 /nfs/dbraw/zinc/34/72/31/881347231.db2.gz XQCKCDIBTXZNDN-IBGZPJMESA-N 1 1 384.480 3.796 20 5 GHBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000593160596 858841222 /nfs/dbraw/zinc/84/12/22/858841222.db2.gz PYWGHPCRYNWHDD-GOSISDBHSA-N 1 1 399.466 3.695 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000060095041 858847681 /nfs/dbraw/zinc/84/76/81/858847681.db2.gz FOJCXTBRKJWNHA-CALCHBBNSA-N 1 1 390.528 3.660 20 5 GHBDMO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000543207972 858886817 /nfs/dbraw/zinc/88/68/17/858886817.db2.gz XRDQTRCXFIQCJR-FQEVSTJZSA-N 1 1 388.489 3.822 20 5 GHBDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000543207972 858886826 /nfs/dbraw/zinc/88/68/26/858886826.db2.gz XRDQTRCXFIQCJR-FQEVSTJZSA-N 1 1 388.489 3.822 20 5 GHBDMO COCC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000160438475 858911427 /nfs/dbraw/zinc/91/14/27/858911427.db2.gz RLNIWAWCJOYGKR-UHFFFAOYSA-N 1 1 380.448 3.644 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nc1 ZINC000482960669 859012399 /nfs/dbraw/zinc/01/23/99/859012399.db2.gz NRZFZICXLZQLDX-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nc1 ZINC000482960669 859012406 /nfs/dbraw/zinc/01/24/06/859012406.db2.gz NRZFZICXLZQLDX-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000543256214 859047936 /nfs/dbraw/zinc/04/79/36/859047936.db2.gz CMWUFMAQTGCBNO-OLZOCXBDSA-N 1 1 385.917 3.577 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](C)C/C(C)=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000494262643 881379572 /nfs/dbraw/zinc/37/95/72/881379572.db2.gz QFAZAWNMQJUSNT-VBKFSLOCSA-N 1 1 383.448 3.967 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C/C(C)=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000494262643 881379591 /nfs/dbraw/zinc/37/95/91/881379591.db2.gz QFAZAWNMQJUSNT-VBKFSLOCSA-N 1 1 383.448 3.967 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000596829614 859112588 /nfs/dbraw/zinc/11/25/88/859112588.db2.gz VAYOAQGLPWPGOE-NSHDSACASA-N 1 1 388.390 3.856 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543642165 859172424 /nfs/dbraw/zinc/17/24/24/859172424.db2.gz RVGOKWGDXLALQH-LSDHHAIUSA-N 1 1 378.448 3.852 20 5 GHBDMO COc1ccc(C[N@@H+](C)CC2=CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597206322 859345847 /nfs/dbraw/zinc/34/58/47/859345847.db2.gz NGTDUIOTIDUQQK-UHFFFAOYSA-N 1 1 398.459 3.961 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597209909 859349149 /nfs/dbraw/zinc/34/91/49/859349149.db2.gz FMUVEUUDJYGHNU-XMSQKQJNSA-N 1 1 398.459 3.651 20 5 GHBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000483419295 859352352 /nfs/dbraw/zinc/35/23/52/859352352.db2.gz HWDYLRMSXAQTBN-HXUWFJFHSA-N 1 1 382.395 3.948 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC4(COC4)C3)o2)c(Br)c1 ZINC000597228886 859363146 /nfs/dbraw/zinc/36/31/46/859363146.db2.gz HXMQRLGHTXXVIM-UHFFFAOYSA-N 1 1 393.237 3.840 20 5 GHBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000764301974 859365250 /nfs/dbraw/zinc/36/52/50/859365250.db2.gz FJTNJYQGQJMAPQ-UHFFFAOYSA-N 1 1 392.799 3.617 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000764301974 859365258 /nfs/dbraw/zinc/36/52/58/859365258.db2.gz FJTNJYQGQJMAPQ-UHFFFAOYSA-N 1 1 392.799 3.617 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000483440150 859376309 /nfs/dbraw/zinc/37/63/09/859376309.db2.gz QDJQZCBJCNDXDV-IBGZPJMESA-N 1 1 394.475 3.559 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000483440150 859376318 /nfs/dbraw/zinc/37/63/18/859376318.db2.gz QDJQZCBJCNDXDV-IBGZPJMESA-N 1 1 394.475 3.559 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1cccc([N+](=O)[O-])c1 ZINC000593323617 859405948 /nfs/dbraw/zinc/40/59/48/859405948.db2.gz RFPAWJFNODDDME-WIYYLYMNSA-N 1 1 391.475 3.824 20 5 GHBDMO COc1ccc(C[C@@H](C)N2CCC[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170339407 881441304 /nfs/dbraw/zinc/44/13/04/881441304.db2.gz BGPLTBJSXRJSDA-GOSISDBHSA-N 1 1 383.492 3.742 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170339407 881441314 /nfs/dbraw/zinc/44/13/14/881441314.db2.gz BGPLTBJSXRJSDA-GOSISDBHSA-N 1 1 383.492 3.742 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170339407 881441327 /nfs/dbraw/zinc/44/13/27/881441327.db2.gz BGPLTBJSXRJSDA-GOSISDBHSA-N 1 1 383.492 3.742 20 5 GHBDMO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCC2 ZINC000611274802 859678077 /nfs/dbraw/zinc/67/80/77/859678077.db2.gz RZHYJOODILRUKV-AWEZNQCLSA-N 1 1 389.477 3.894 20 5 GHBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCC2 ZINC000611274802 859678084 /nfs/dbraw/zinc/67/80/84/859678084.db2.gz RZHYJOODILRUKV-AWEZNQCLSA-N 1 1 389.477 3.894 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](CSc3ccccc3)C1)OCCO2 ZINC000611274598 859678148 /nfs/dbraw/zinc/67/81/48/859678148.db2.gz KGXJFTOQVZNOMQ-OAHLLOKOSA-N 1 1 386.473 3.980 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c([N+](=O)[O-])c1 ZINC001170345061 881463439 /nfs/dbraw/zinc/46/34/39/881463439.db2.gz GYHQXPSAQHXUIF-CXAGYDPISA-N 1 1 392.402 3.966 20 5 GHBDMO CCC[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171475 859861785 /nfs/dbraw/zinc/86/17/85/859861785.db2.gz NKWYHVPMKDKERV-FCHUYYIVSA-N 1 1 383.492 3.663 20 5 GHBDMO CCC[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171475 859861792 /nfs/dbraw/zinc/86/17/92/859861792.db2.gz NKWYHVPMKDKERV-FCHUYYIVSA-N 1 1 383.492 3.663 20 5 GHBDMO COc1ccc(C[C@H](C)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170347160 881470488 /nfs/dbraw/zinc/47/04/88/881470488.db2.gz QWSAXIRJEYNJHA-XTQVGHSUSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170347160 881470495 /nfs/dbraw/zinc/47/04/95/881470495.db2.gz QWSAXIRJEYNJHA-XTQVGHSUSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170347160 881470499 /nfs/dbraw/zinc/47/04/99/881470499.db2.gz QWSAXIRJEYNJHA-XTQVGHSUSA-N 1 1 395.503 3.741 20 5 GHBDMO C[C@@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001127883970 860030179 /nfs/dbraw/zinc/03/01/79/860030179.db2.gz XPRNDCVTBNDOAR-ZBFHGGJFSA-N 1 1 396.491 3.713 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c(OC)c1 ZINC000602519064 860072249 /nfs/dbraw/zinc/07/22/49/860072249.db2.gz VAAZSCBQJHEUHZ-UHFFFAOYSA-N 1 1 387.255 3.726 20 5 GHBDMO Cn1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000602573901 860124025 /nfs/dbraw/zinc/12/40/25/860124025.db2.gz AMTVSFMLBHBPTF-UHFFFAOYSA-N 1 1 382.264 3.656 20 5 GHBDMO COc1cc(C[N@@H+](C[C@H](C)O)C(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093145527 860218290 /nfs/dbraw/zinc/21/82/90/860218290.db2.gz QSSBHTGMPZWNNT-INIZCTEOSA-N 1 1 388.464 3.774 20 5 GHBDMO COc1cc(C[NH+]2CCC(SC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000602727342 860237839 /nfs/dbraw/zinc/23/78/39/860237839.db2.gz ZUNNFNKYNIBHGF-UHFFFAOYSA-N 1 1 376.425 3.575 20 5 GHBDMO COc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093645841 860324087 /nfs/dbraw/zinc/32/40/87/860324087.db2.gz RGBKHMAIGPBOJW-FQEVSTJZSA-N 1 1 398.459 3.793 20 5 GHBDMO COc1cc(C[N@H+]2CCOC[C@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093645841 860324095 /nfs/dbraw/zinc/32/40/95/860324095.db2.gz RGBKHMAIGPBOJW-FQEVSTJZSA-N 1 1 398.459 3.793 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)cc1 ZINC000026224886 860584374 /nfs/dbraw/zinc/58/43/74/860584374.db2.gz AUGIEEILKUHPJB-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155899191 860631006 /nfs/dbraw/zinc/63/10/06/860631006.db2.gz JKWSDHWMOYAPID-OAQYLSRUSA-N 1 1 397.475 3.505 20 5 GHBDMO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000429000962 860655962 /nfs/dbraw/zinc/65/59/62/860655962.db2.gz AORRXQQLAQVKAI-QLJPJBMISA-N 1 1 383.217 3.881 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000170977858 860685614 /nfs/dbraw/zinc/68/56/14/860685614.db2.gz QMTMZHGENUFFBN-OAHLLOKOSA-N 1 1 385.489 3.818 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000609194129 881615179 /nfs/dbraw/zinc/61/51/79/881615179.db2.gz QQEQIYGYRRZCIW-INIZCTEOSA-N 1 1 391.512 3.755 20 5 GHBDMO C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@@H+](C)Cc1ccccc1 ZINC000444005468 863115800 /nfs/dbraw/zinc/11/58/00/863115800.db2.gz RCYNFMCBYWSKES-QGZVFWFLSA-N 1 1 399.494 3.932 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 ZINC000482490440 863212760 /nfs/dbraw/zinc/21/27/60/863212760.db2.gz PJZOPUVPUWEIPG-OAQYLSRUSA-N 1 1 392.459 3.717 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000439680840 863234342 /nfs/dbraw/zinc/23/43/42/863234342.db2.gz MKSXWNZDKDIUGK-AWEZNQCLSA-N 1 1 387.402 3.854 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000172174667 863293868 /nfs/dbraw/zinc/29/38/68/863293868.db2.gz OUHPCMLRQUQOJG-AWEZNQCLSA-N 1 1 389.887 3.946 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000172174667 863293879 /nfs/dbraw/zinc/29/38/79/863293879.db2.gz OUHPCMLRQUQOJG-AWEZNQCLSA-N 1 1 389.887 3.946 20 5 GHBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444223177 863700449 /nfs/dbraw/zinc/70/04/49/863700449.db2.gz HZJGLOSOYZXUGH-OAHLLOKOSA-N 1 1 395.478 3.528 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000480061266 863928984 /nfs/dbraw/zinc/92/89/84/863928984.db2.gz XPBIAYHZSGTQAB-NRFANRHFSA-N 1 1 383.496 3.612 20 5 GHBDMO COc1ccc(OCC[NH2+][C@@H](Cc2ccccc2)c2ncco2)c([N+](=O)[O-])c1 ZINC000594055968 863946272 /nfs/dbraw/zinc/94/62/72/863946272.db2.gz PMYXJMAQNASHAZ-KRWDZBQOSA-N 1 1 383.404 3.544 20 5 GHBDMO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc2ccccc2s1 ZINC000734158401 864036740 /nfs/dbraw/zinc/03/67/40/864036740.db2.gz HMYSRWMDOQRTNW-WBMJQRKESA-N 1 1 382.445 3.661 20 5 GHBDMO CCC(=O)c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000480111159 864037930 /nfs/dbraw/zinc/03/79/30/864037930.db2.gz HPQXCSGOWKCOEC-IBGZPJMESA-N 1 1 397.475 3.756 20 5 GHBDMO Cc1ccccc1OCCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172896888 864092206 /nfs/dbraw/zinc/09/22/06/864092206.db2.gz WCVSTZKPJPUOQP-UHFFFAOYSA-N 1 1 381.436 3.520 20 5 GHBDMO Cc1ccccc1OCCC[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172896888 864092218 /nfs/dbraw/zinc/09/22/18/864092218.db2.gz WCVSTZKPJPUOQP-UHFFFAOYSA-N 1 1 381.436 3.520 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)C[C@H](C)O1 ZINC000071971381 864262306 /nfs/dbraw/zinc/26/23/06/864262306.db2.gz WKROTIPWHDSPCF-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)C[C@H](C)O1 ZINC000071971381 864262320 /nfs/dbraw/zinc/26/23/20/864262320.db2.gz WKROTIPWHDSPCF-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CCN2CCO[C@H](CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000494481551 881777898 /nfs/dbraw/zinc/77/78/98/881777898.db2.gz GYTUIEIQMWRVJB-CTNGQTDRSA-N 1 1 387.480 3.540 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000554681040 864703275 /nfs/dbraw/zinc/70/32/75/864703275.db2.gz SZCMQBPNRCOBRZ-MOPGFXCFSA-N 1 1 383.496 3.611 20 5 GHBDMO COc1cc(C[N@H+](C)Cc2ccnn2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475329877 864794105 /nfs/dbraw/zinc/79/41/05/864794105.db2.gz CHBHIMYSAJWSRD-UHFFFAOYSA-N 1 1 396.447 3.548 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2ccnn2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475329877 864794113 /nfs/dbraw/zinc/79/41/13/864794113.db2.gz CHBHIMYSAJWSRD-UHFFFAOYSA-N 1 1 396.447 3.548 20 5 GHBDMO CCOC(=O)c1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000480517277 864795727 /nfs/dbraw/zinc/79/57/27/864795727.db2.gz YHKIONBERYDBKJ-KRWDZBQOSA-N 1 1 383.448 3.706 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480517590 864795883 /nfs/dbraw/zinc/79/58/83/864795883.db2.gz WWKBYEDUZYRFRP-KRWDZBQOSA-N 1 1 399.495 3.626 20 5 GHBDMO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@@H+]1CCc2ccccc2C1 ZINC000025941941 864811713 /nfs/dbraw/zinc/81/17/13/864811713.db2.gz BEMOWOGWBGEBPX-AWEZNQCLSA-N 1 1 395.484 3.986 20 5 GHBDMO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@H+]1CCc2ccccc2C1 ZINC000025941941 864811727 /nfs/dbraw/zinc/81/17/27/864811727.db2.gz BEMOWOGWBGEBPX-AWEZNQCLSA-N 1 1 395.484 3.986 20 5 GHBDMO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000184866630 865000522 /nfs/dbraw/zinc/00/05/22/865000522.db2.gz RGDWGSZWSDCSQI-AWEZNQCLSA-N 1 1 380.404 3.929 20 5 GHBDMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000554846828 865010941 /nfs/dbraw/zinc/01/09/41/865010941.db2.gz JVMNJCAPANWDPN-GJZGRUSLSA-N 1 1 389.883 3.988 20 5 GHBDMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184913617 865043139 /nfs/dbraw/zinc/04/31/39/865043139.db2.gz HTHPADHTRBAGGH-MRXNPFEDSA-N 1 1 385.439 3.572 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC[N@H+]2C)cc1 ZINC000735906343 865046421 /nfs/dbraw/zinc/04/64/21/865046421.db2.gz XPERLPSMVHUBJG-YLJYHZDGSA-N 1 1 384.432 3.762 20 5 GHBDMO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(C(C)(C)C)no1 ZINC000185154033 865558363 /nfs/dbraw/zinc/55/83/63/865558363.db2.gz KRYVRSUUABVTBJ-LBPRGKRZSA-N 1 1 385.424 3.824 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740882850 866073290 /nfs/dbraw/zinc/07/32/90/866073290.db2.gz LLYKJFDDSYYZOI-XWIAVFTESA-N 1 1 395.887 3.712 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186588499 866217645 /nfs/dbraw/zinc/21/76/45/866217645.db2.gz QCSBXKZADIRQLS-UHFFFAOYSA-N 1 1 388.439 3.702 20 5 GHBDMO CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000534246176 866363795 /nfs/dbraw/zinc/36/37/95/866363795.db2.gz MKWHARATHXOTEP-KRWDZBQOSA-N 1 1 392.459 3.813 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456352612 866475048 /nfs/dbraw/zinc/47/50/48/866475048.db2.gz YITVVOXRVRYHCV-INIZCTEOSA-N 1 1 393.443 3.935 20 5 GHBDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553028436 866649194 /nfs/dbraw/zinc/64/91/94/866649194.db2.gz KQYGDNZUMCNPLA-KRWDZBQOSA-N 1 1 390.871 3.643 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)c1 ZINC000186705239 866779564 /nfs/dbraw/zinc/77/95/64/866779564.db2.gz GPNHXSMRPCQQLI-QFIPXVFZSA-N 1 1 391.427 3.924 20 5 GHBDMO CN(C)C(=O)Nc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000479040412 867054901 /nfs/dbraw/zinc/05/49/01/867054901.db2.gz GORBAPAPPTUCNI-UHFFFAOYSA-N 1 1 394.378 3.580 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000534914426 867717517 /nfs/dbraw/zinc/71/75/17/867717517.db2.gz MFQOEXGVVMCANF-UHFFFAOYSA-N 1 1 399.516 3.676 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1Cl ZINC000793349411 882145678 /nfs/dbraw/zinc/14/56/78/882145678.db2.gz SNDGHPFLHVJHME-ZDUSSCGKSA-N 1 1 390.745 3.970 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cn3ccc(-c4ccccc4)n3)CC2)cc1 ZINC000743389973 868144634 /nfs/dbraw/zinc/14/46/34/868144634.db2.gz FKQNCBYVHJKWAG-UHFFFAOYSA-N 1 1 378.432 3.959 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl ZINC000524007146 868420022 /nfs/dbraw/zinc/42/00/22/868420022.db2.gz BKTNHHLNTITLHS-KRWDZBQOSA-N 1 1 396.274 3.863 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H](c4cccc(O)c4)C3)o2)c1 ZINC000121569577 868446626 /nfs/dbraw/zinc/44/66/26/868446626.db2.gz RZHNZMSNSKHIOC-HXUWFJFHSA-N 1 1 395.415 3.571 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](c4cccc(O)c4)C3)o2)c1 ZINC000121569577 868446631 /nfs/dbraw/zinc/44/66/31/868446631.db2.gz RZHNZMSNSKHIOC-HXUWFJFHSA-N 1 1 395.415 3.571 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000535361674 868625109 /nfs/dbraw/zinc/62/51/09/868625109.db2.gz FYEYJQAECNGCIH-LEWJYISDSA-N 1 1 396.491 3.662 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000524645332 869375803 /nfs/dbraw/zinc/37/58/03/869375803.db2.gz NRTFFDDUICVHEJ-YVEFUNNKSA-N 1 1 377.441 3.608 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000462416916 869381143 /nfs/dbraw/zinc/38/11/43/869381143.db2.gz ULRPFEKLLWXEAB-HXUWFJFHSA-N 1 1 381.476 3.508 20 5 GHBDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000524684446 869421968 /nfs/dbraw/zinc/42/19/68/869421968.db2.gz KSGHNWPLMWOTSK-JXFKEZNVSA-N 1 1 388.512 4.000 20 5 GHBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000539824861 869831898 /nfs/dbraw/zinc/83/18/98/869831898.db2.gz MSVQUSAMKNCYMW-FQEVSTJZSA-N 1 1 388.395 3.911 20 5 GHBDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)c1 ZINC000475642977 869858367 /nfs/dbraw/zinc/85/83/67/869858367.db2.gz VKQYJONPVQGZFW-UHFFFAOYSA-N 1 1 382.464 3.870 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1cccc3ccccc31)CC2 ZINC000446739075 870311754 /nfs/dbraw/zinc/31/17/54/870311754.db2.gz PVJAWZFCCGJERX-FQEVSTJZSA-N 1 1 378.428 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1cccc3ccccc31)CC2 ZINC000446739075 870311772 /nfs/dbraw/zinc/31/17/72/870311772.db2.gz PVJAWZFCCGJERX-FQEVSTJZSA-N 1 1 378.428 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@](CO)(c4ccccc4)C3)o2)cc1 ZINC000463010950 870660542 /nfs/dbraw/zinc/66/05/42/870660542.db2.gz NMXUKXKLWAVJJP-QFIPXVFZSA-N 1 1 378.428 3.991 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000617734136 870837544 /nfs/dbraw/zinc/83/75/44/870837544.db2.gz HKZQBXUHLMZCCE-BRWVUGGUSA-N 1 1 397.475 3.946 20 5 GHBDMO O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000109350127 882465993 /nfs/dbraw/zinc/46/59/93/882465993.db2.gz RZJGNPOBGBWQEL-GOSISDBHSA-N 1 1 381.457 3.996 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)c1ccc(CO)cn1 ZINC001193316006 871046044 /nfs/dbraw/zinc/04/60/44/871046044.db2.gz PBWJEOUWUGQRFI-UHFFFAOYSA-N 1 1 386.455 3.902 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC2(CCCCC2)CC1 ZINC001193437316 871084209 /nfs/dbraw/zinc/08/42/09/871084209.db2.gz CZKWZBDEAFELEN-UHFFFAOYSA-N 1 1 375.469 3.978 20 5 GHBDMO O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035855 871113781 /nfs/dbraw/zinc/11/37/81/871113781.db2.gz DMQYVILNOQSTMN-BWAGFHJFSA-N 1 1 394.471 3.602 20 5 GHBDMO O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035855 871113799 /nfs/dbraw/zinc/11/37/99/871113799.db2.gz DMQYVILNOQSTMN-BWAGFHJFSA-N 1 1 394.471 3.602 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c([N+](=O)[O-])c1 ZINC000463216796 871213780 /nfs/dbraw/zinc/21/37/80/871213780.db2.gz YBRYNZNFYGGMOJ-WOGUSJMUSA-N 1 1 392.496 3.634 20 5 GHBDMO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1F ZINC000540415565 871221309 /nfs/dbraw/zinc/22/13/09/871221309.db2.gz UMFZEVDATLEEGX-QZTJIDSGSA-N 1 1 375.375 3.719 20 5 GHBDMO Cc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461951644 871330809 /nfs/dbraw/zinc/33/08/09/871330809.db2.gz CSRKWARBZPRTHT-CYBMUJFWSA-N 1 1 375.391 3.835 20 5 GHBDMO CCN1CCC([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)CC1 ZINC001169242100 871340626 /nfs/dbraw/zinc/34/06/26/871340626.db2.gz WATZWRYTTLDOPQ-UHFFFAOYSA-N 1 1 390.531 3.582 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001194260013 871595942 /nfs/dbraw/zinc/59/59/42/871595942.db2.gz CCBWBOXCKPPMCG-QFIPXVFZSA-N 1 1 397.475 3.986 20 5 GHBDMO CC(C)[C@H](CNC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001194261800 871598444 /nfs/dbraw/zinc/59/84/44/871598444.db2.gz JXNWHCWMDLDFLX-FQEVSTJZSA-N 1 1 383.492 3.625 20 5 GHBDMO CC(C)[C@H](CNC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001194261800 871598464 /nfs/dbraw/zinc/59/84/64/871598464.db2.gz JXNWHCWMDLDFLX-FQEVSTJZSA-N 1 1 383.492 3.625 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001169527459 871607706 /nfs/dbraw/zinc/60/77/06/871607706.db2.gz MPJAWIFPZASCTR-IFXJQAMLSA-N 1 1 387.867 3.889 20 5 GHBDMO CC[C@@H](C)Oc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OC ZINC000618618693 871771890 /nfs/dbraw/zinc/77/18/90/871771890.db2.gz QFIZJQUDHQHORU-CYBMUJFWSA-N 1 1 384.436 3.947 20 5 GHBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCc1cccc(Br)c1 ZINC001194692254 871891875 /nfs/dbraw/zinc/89/18/75/871891875.db2.gz NGGQIHRJGLWRAD-UHFFFAOYSA-N 1 1 379.254 3.911 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763506209 872036179 /nfs/dbraw/zinc/03/61/79/872036179.db2.gz TVYQCTIWUBXYEW-ACJLOTCBSA-N 1 1 389.402 3.513 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000552333488 872461851 /nfs/dbraw/zinc/46/18/51/872461851.db2.gz GXHVIXVMXGSWRB-IBGZPJMESA-N 1 1 377.448 3.524 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000619570351 872748433 /nfs/dbraw/zinc/74/84/33/872748433.db2.gz WMKXUXRWYYFGNH-OAHLLOKOSA-N 1 1 384.480 3.656 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000182841865 872845410 /nfs/dbraw/zinc/84/54/10/872845410.db2.gz BZCZTIRZLKCAPO-OCCSQVGLSA-N 1 1 385.917 3.529 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccc1[N+](=O)[O-] ZINC000541129081 872970950 /nfs/dbraw/zinc/97/09/50/872970950.db2.gz FYBHWJVLVUVXTL-CYBMUJFWSA-N 1 1 384.358 3.656 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccc1[N+](=O)[O-] ZINC000541129081 872970954 /nfs/dbraw/zinc/97/09/54/872970954.db2.gz FYBHWJVLVUVXTL-CYBMUJFWSA-N 1 1 384.358 3.656 20 5 GHBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC001196573128 873231231 /nfs/dbraw/zinc/23/12/31/873231231.db2.gz FJENDVDVZVAKBZ-HXUWFJFHSA-N 1 1 383.448 3.789 20 5 GHBDMO COc1ccccc1C[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000768540834 873373341 /nfs/dbraw/zinc/37/33/41/873373341.db2.gz FXNGELOBRRYKNF-UHFFFAOYSA-N 1 1 375.856 3.575 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448709480 873833926 /nfs/dbraw/zinc/83/39/26/873833926.db2.gz PPINEYYIDYTTGU-CYBMUJFWSA-N 1 1 387.402 3.998 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000769187871 873873647 /nfs/dbraw/zinc/87/36/47/873873647.db2.gz BGNHOUARLBVKEH-CQSZACIVSA-N 1 1 399.285 3.517 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000475719426 882770245 /nfs/dbraw/zinc/77/02/45/882770245.db2.gz SJKQMYLVOXIUEO-NRFANRHFSA-N 1 1 386.448 3.976 20 5 GHBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c([N+](=O)[O-])cc1F ZINC000448946981 874239872 /nfs/dbraw/zinc/23/98/72/874239872.db2.gz STVJLCCWAHOSAG-HNNXBMFYSA-N 1 1 393.459 3.517 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)c2)c1 ZINC000769780794 874286271 /nfs/dbraw/zinc/28/62/71/874286271.db2.gz FOEYXFJTUAZHFX-OAQYLSRUSA-N 1 1 376.416 3.547 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)c2)c1 ZINC000769780794 874286277 /nfs/dbraw/zinc/28/62/77/874286277.db2.gz FOEYXFJTUAZHFX-OAQYLSRUSA-N 1 1 376.416 3.547 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000770005473 874397247 /nfs/dbraw/zinc/39/72/47/874397247.db2.gz DBABWCGNPBXADK-LLVKDONJSA-N 1 1 394.884 3.878 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000770005473 874397258 /nfs/dbraw/zinc/39/72/58/874397258.db2.gz DBABWCGNPBXADK-LLVKDONJSA-N 1 1 394.884 3.878 20 5 GHBDMO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464783879 874488505 /nfs/dbraw/zinc/48/85/05/874488505.db2.gz SBHYNQLXFINWAB-INIZCTEOSA-N 1 1 383.448 3.774 20 5 GHBDMO Cc1c(C[N@H+]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] ZINC001198555443 874500549 /nfs/dbraw/zinc/50/05/49/874500549.db2.gz ZALBELGMMZYSKU-FQEVSTJZSA-N 1 1 375.469 3.879 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2Cc2ccc(O)cc2)c1 ZINC001198603683 874512371 /nfs/dbraw/zinc/51/23/71/874512371.db2.gz ARCSCCSRPGRNPO-SFHVURJKSA-N 1 1 384.432 3.684 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC001198935513 874715966 /nfs/dbraw/zinc/71/59/66/874715966.db2.gz ZCYLNLPECSWWPP-MRXNPFEDSA-N 1 1 394.269 3.877 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CNC[C@H](c1ccco1)[NH+]1CCCC1 ZINC001198935513 874715969 /nfs/dbraw/zinc/71/59/69/874715969.db2.gz ZCYLNLPECSWWPP-MRXNPFEDSA-N 1 1 394.269 3.877 20 5 GHBDMO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000449346594 874738643 /nfs/dbraw/zinc/73/86/43/874738643.db2.gz BKYBUCJZGKXGMC-NSHDSACASA-N 1 1 396.802 3.790 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000449360210 874782306 /nfs/dbraw/zinc/78/23/06/874782306.db2.gz HNUIWLHJKJZVAC-BEFAXECRSA-N 1 1 380.473 3.897 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000449360212 874782468 /nfs/dbraw/zinc/78/24/68/874782468.db2.gz HNUIWLHJKJZVAC-DNVCBOLYSA-N 1 1 380.473 3.897 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@@H]3[C@@H]3CCCOC3)s2)cc1 ZINC000449437067 874890125 /nfs/dbraw/zinc/89/01/25/874890125.db2.gz YOXVZCNLKINUAV-SZVBFZGTSA-N 1 1 388.489 3.685 20 5 GHBDMO COc1nccc(C(=O)Nc2cc3[nH+]c4cc(N(C)C)ccc4cc3cc2C)n1 ZINC001199323002 874925120 /nfs/dbraw/zinc/92/51/20/874925120.db2.gz PCQGVBIZBIHZEF-UHFFFAOYSA-N 1 1 387.443 3.813 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475732337 882893273 /nfs/dbraw/zinc/89/32/73/882893273.db2.gz QCJVLBNGGMIAPC-UHFFFAOYSA-N 1 1 379.258 3.503 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475732337 882893287 /nfs/dbraw/zinc/89/32/87/882893287.db2.gz QCJVLBNGGMIAPC-UHFFFAOYSA-N 1 1 379.258 3.503 20 5 GHBDMO CCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C)cc1 ZINC000542211599 875161700 /nfs/dbraw/zinc/16/17/00/875161700.db2.gz GYWJHYRQCUSSPJ-UHFFFAOYSA-N 1 1 376.478 3.589 20 5 GHBDMO CCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C)cc1 ZINC000542211599 875161713 /nfs/dbraw/zinc/16/17/13/875161713.db2.gz GYWJHYRQCUSSPJ-UHFFFAOYSA-N 1 1 376.478 3.589 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)C1 ZINC000465185703 875265963 /nfs/dbraw/zinc/26/59/63/875265963.db2.gz NNUKXRHJFQOMSX-CQSZACIVSA-N 1 1 387.411 3.707 20 5 GHBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000449747912 875343624 /nfs/dbraw/zinc/34/36/24/875343624.db2.gz YTMVZKKVDNDYDZ-HNNXBMFYSA-N 1 1 388.493 3.559 20 5 GHBDMO CC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450424355 876389211 /nfs/dbraw/zinc/38/92/11/876389211.db2.gz QMNMQXODPWFMNW-HOCLYGCPSA-N 1 1 379.823 3.733 20 5 GHBDMO CC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450424355 876389221 /nfs/dbraw/zinc/38/92/21/876389221.db2.gz QMNMQXODPWFMNW-HOCLYGCPSA-N 1 1 379.823 3.733 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC001170054826 876424307 /nfs/dbraw/zinc/42/43/07/876424307.db2.gz XFSQAQHLLCPOQV-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC001170054826 876424314 /nfs/dbraw/zinc/42/43/14/876424314.db2.gz XFSQAQHLLCPOQV-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000529716926 876578828 /nfs/dbraw/zinc/57/88/28/876578828.db2.gz DMAPZYJCPQTVTC-GOSISDBHSA-N 1 1 389.499 3.818 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(N2CCC(OC)CC2)CCCC1 ZINC000609354249 883043820 /nfs/dbraw/zinc/04/38/20/883043820.db2.gz YXAVASICZSJCNN-UHFFFAOYSA-N 1 1 391.512 3.507 20 5 GHBDMO O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786878579 877001340 /nfs/dbraw/zinc/00/13/40/877001340.db2.gz FRKWAOHIBUZXAL-SFHVURJKSA-N 1 1 385.420 3.700 20 5 GHBDMO CC[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000610039071 877322105 /nfs/dbraw/zinc/32/21/05/877322105.db2.gz KEAGGYZBYJPMQA-FQEVSTJZSA-N 1 1 395.503 3.826 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610044947 877325504 /nfs/dbraw/zinc/32/55/04/877325504.db2.gz JGCQHALVBVORBN-QGZVFWFLSA-N 1 1 381.476 3.605 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610044947 877325514 /nfs/dbraw/zinc/32/55/14/877325514.db2.gz JGCQHALVBVORBN-QGZVFWFLSA-N 1 1 381.476 3.605 20 5 GHBDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787342987 877363421 /nfs/dbraw/zinc/36/34/21/877363421.db2.gz QYOOPMDYEKZOFC-QGZVFWFLSA-N 1 1 384.354 3.658 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001170072798 877394061 /nfs/dbraw/zinc/39/40/61/877394061.db2.gz OROYUWZNESDONW-HNNXBMFYSA-N 1 1 387.867 3.696 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000477313810 877413708 /nfs/dbraw/zinc/41/37/08/877413708.db2.gz AQAHMCUXMJFSQU-MRXNPFEDSA-N 1 1 399.466 3.967 20 5 GHBDMO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160228 877463277 /nfs/dbraw/zinc/46/32/77/877463277.db2.gz BNRAOMHLGJRWKL-KSFYIVLOSA-N 1 1 392.459 3.844 20 5 GHBDMO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160228 877463286 /nfs/dbraw/zinc/46/32/86/877463286.db2.gz BNRAOMHLGJRWKL-KSFYIVLOSA-N 1 1 392.459 3.844 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000492759763 877524409 /nfs/dbraw/zinc/52/44/09/877524409.db2.gz XKMMENLFQCBSSQ-INIZCTEOSA-N 1 1 379.464 3.658 20 5 GHBDMO Cc1ccc(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(N2CCCC2)[nH+]1 ZINC000615267929 877588233 /nfs/dbraw/zinc/58/82/33/877588233.db2.gz WYXHOOHDGYKBDE-UHFFFAOYSA-N 1 1 382.464 3.952 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000851938208 877989207 /nfs/dbraw/zinc/98/92/07/877989207.db2.gz LTJACLYAYJVNLD-IBGZPJMESA-N 1 1 379.432 3.567 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000851938208 877989226 /nfs/dbraw/zinc/98/92/26/877989226.db2.gz LTJACLYAYJVNLD-IBGZPJMESA-N 1 1 379.432 3.567 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCc2sccc2C1 ZINC000451544879 878112877 /nfs/dbraw/zinc/11/28/77/878112877.db2.gz GCBMUQCZPDWQRY-QGZVFWFLSA-N 1 1 399.516 3.811 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nc(Cc4ccccc4)no3)C2)cc1 ZINC000451548102 878125869 /nfs/dbraw/zinc/12/58/69/878125869.db2.gz MUWMRXNQXABVQE-SFHVURJKSA-N 1 1 378.432 3.948 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3nc(Cc4ccccc4)no3)C2)cc1 ZINC000451548102 878125881 /nfs/dbraw/zinc/12/58/81/878125881.db2.gz MUWMRXNQXABVQE-SFHVURJKSA-N 1 1 378.432 3.948 20 5 GHBDMO CC1CCN(C(=O)C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000163339624 878208016 /nfs/dbraw/zinc/20/80/16/878208016.db2.gz HGYZXIKUQAKFSZ-UHFFFAOYSA-N 1 1 379.888 3.719 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000776590551 878278830 /nfs/dbraw/zinc/27/88/30/878278830.db2.gz DUTSAWXQFGRYGK-GOTSBHOMSA-N 1 1 395.503 3.616 20 5 GHBDMO Cc1ccc(CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]2CCCO2)cc1 ZINC000776588655 878292133 /nfs/dbraw/zinc/29/21/33/878292133.db2.gz MYXDQINNPZBCDE-FGZHOGPDSA-N 1 1 384.476 3.660 20 5 GHBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000852515016 878388950 /nfs/dbraw/zinc/38/89/50/878388950.db2.gz OPFZAUMSFHVTNW-CVEARBPZSA-N 1 1 385.247 3.600 20 5 GHBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000852515016 878388963 /nfs/dbraw/zinc/38/89/63/878388963.db2.gz OPFZAUMSFHVTNW-CVEARBPZSA-N 1 1 385.247 3.600 20 5 GHBDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000789357463 878845452 /nfs/dbraw/zinc/84/54/52/878845452.db2.gz JKZLBHRWWCRRIV-OAHLLOKOSA-N 1 1 385.420 3.623 20 5 GHBDMO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093707641 912391531 /nfs/dbraw/zinc/39/15/31/912391531.db2.gz NQEBFPDDBOGOAX-UHFFFAOYSA-N 1 1 382.507 3.578 20 5 GHBDMO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093707641 912391552 /nfs/dbraw/zinc/39/15/52/912391552.db2.gz NQEBFPDDBOGOAX-UHFFFAOYSA-N 1 1 382.507 3.578 20 5 GHBDMO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460972439 878894399 /nfs/dbraw/zinc/89/43/99/878894399.db2.gz YEQUKLXEABQATA-UTKZUKDTSA-N 1 1 381.476 3.821 20 5 GHBDMO COc1ccc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538177716 878983666 /nfs/dbraw/zinc/98/36/66/878983666.db2.gz BYDJDBJWVGWJRQ-OAHLLOKOSA-N 1 1 397.353 3.825 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)cc1 ZINC000853505401 879071174 /nfs/dbraw/zinc/07/11/74/879071174.db2.gz WKANMENBYIOKBR-MRXNPFEDSA-N 1 1 395.463 3.630 20 5 GHBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@@H]2C1 ZINC000493343003 879388553 /nfs/dbraw/zinc/38/85/53/879388553.db2.gz AZUKXSJWAYIVAY-MGPUTAFESA-N 1 1 397.500 3.912 20 5 GHBDMO COc1ccc(CC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1[N+](=O)[O-] ZINC000531255964 879443213 /nfs/dbraw/zinc/44/32/13/879443213.db2.gz CTOMCZOXBMYETJ-CQSZACIVSA-N 1 1 394.431 3.517 20 5 GHBDMO COc1cc2c(cc1OC)CC[NH+](Cc1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000493531351 879502078 /nfs/dbraw/zinc/50/20/78/879502078.db2.gz TUNKPWJHFZGRPD-UHFFFAOYSA-N 1 1 376.840 3.866 20 5 GHBDMO C[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000854097497 879527091 /nfs/dbraw/zinc/52/70/91/879527091.db2.gz OMAXQZAFKZBORC-LAUBAEHRSA-N 1 1 396.491 3.614 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000538572986 879745402 /nfs/dbraw/zinc/74/54/02/879745402.db2.gz NBXOPVJUYSJWTI-HNNXBMFYSA-N 1 1 379.526 3.901 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000790928860 880070114 /nfs/dbraw/zinc/07/01/14/880070114.db2.gz ZABDFGNGOOPDOY-RDJZCZTQSA-N 1 1 385.439 3.683 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000790928870 880070257 /nfs/dbraw/zinc/07/02/57/880070257.db2.gz ZABDFGNGOOPDOY-WBVHZDCISA-N 1 1 385.439 3.683 20 5 GHBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+]([C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000453287947 880730134 /nfs/dbraw/zinc/73/01/34/880730134.db2.gz RRHFRAYGRLJCMS-ONCXSQPRSA-N 1 1 393.487 3.587 20 5 GHBDMO CC(=O)Nc1ccccc1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001183534657 912643831 /nfs/dbraw/zinc/64/38/31/912643831.db2.gz SPOYVBRTEAKPOY-UHFFFAOYSA-N 1 1 378.226 3.606 20 5 GHBDMO CCC[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1CCc2ccccc2C1 ZINC000919950779 881238793 /nfs/dbraw/zinc/23/87/93/881238793.db2.gz MSKUUGMAJWXYSB-HNNXBMFYSA-N 1 1 393.285 3.781 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383608 883129592 /nfs/dbraw/zinc/12/95/92/883129592.db2.gz WLQINKNZDASFNQ-KRWDZBQOSA-N 1 1 391.537 3.947 20 5 GHBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000609490849 883255596 /nfs/dbraw/zinc/25/55/96/883255596.db2.gz AUWWSTPHMOSETD-CYBMUJFWSA-N 1 1 389.839 3.722 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)[C@@H]3CCCc4ccccc43)o2)cc1 ZINC000173388421 883368561 /nfs/dbraw/zinc/36/85/61/883368561.db2.gz STSQGLJQRZAJSS-LJQANCHMSA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCO)[C@@H]3CCCc4ccccc43)o2)cc1 ZINC000173388421 883368579 /nfs/dbraw/zinc/36/85/79/883368579.db2.gz STSQGLJQRZAJSS-LJQANCHMSA-N 1 1 394.431 3.517 20 5 GHBDMO CC(C)CC[C@@H]1CCCC[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000760409314 884069146 /nfs/dbraw/zinc/06/91/46/884069146.db2.gz QWJODQAKHQOWFE-INIZCTEOSA-N 1 1 388.468 3.612 20 5 GHBDMO CC(C)CC[C@H]1CCCC[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000760409316 884070064 /nfs/dbraw/zinc/07/00/64/884070064.db2.gz QWJODQAKHQOWFE-MRXNPFEDSA-N 1 1 388.468 3.612 20 5 GHBDMO COc1c(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000476151048 884169398 /nfs/dbraw/zinc/16/93/98/884169398.db2.gz MDLKJINQKWTSMR-OAHLLOKOSA-N 1 1 399.447 3.576 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1c(F)cccc1Cl ZINC000026225519 884203461 /nfs/dbraw/zinc/20/34/61/884203461.db2.gz VWYQFJJCUFRJPV-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000026225519 884203474 /nfs/dbraw/zinc/20/34/74/884203474.db2.gz VWYQFJJCUFRJPV-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000026226318 884204143 /nfs/dbraw/zinc/20/41/43/884204143.db2.gz QYGFXNXXFHOXPM-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498382026 884235970 /nfs/dbraw/zinc/23/59/70/884235970.db2.gz JCYVOMLSOCTQPC-PKOBYXMFSA-N 1 1 395.503 3.899 20 5 GHBDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000026466189 884260285 /nfs/dbraw/zinc/26/02/85/884260285.db2.gz ZTOAJNUQBARTBU-NWDGAFQWSA-N 1 1 384.274 3.806 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000054217461 884313466 /nfs/dbraw/zinc/31/34/66/884313466.db2.gz FMWINXFMUYVFPG-UHFFFAOYSA-N 1 1 392.818 3.633 20 5 GHBDMO COc1cccc([C@H](O)C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000860141872 884361786 /nfs/dbraw/zinc/36/17/86/884361786.db2.gz NYOOKFCAANHUDG-OAQYLSRUSA-N 1 1 397.431 3.690 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001127313246 884425770 /nfs/dbraw/zinc/42/57/70/884425770.db2.gz XMGUDXUITCOPDV-GJZGRUSLSA-N 1 1 379.526 3.898 20 5 GHBDMO CCc1[nH]nc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1[N+](=O)[O-] ZINC000170788638 884550152 /nfs/dbraw/zinc/55/01/52/884550152.db2.gz BFALSTJXGVFQQO-UHFFFAOYSA-N 1 1 382.424 3.501 20 5 GHBDMO COC(=O)/C=C\c1ccc(NCCC[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000914787563 884792493 /nfs/dbraw/zinc/79/24/93/884792493.db2.gz UOTDCUJJBPUMNF-NTMALXAHSA-N 1 1 395.459 3.641 20 5 GHBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000117864360 885113610 /nfs/dbraw/zinc/11/36/10/885113610.db2.gz ZVRVSVLZPHYOSV-FQEVSTJZSA-N 1 1 392.463 3.714 20 5 GHBDMO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000130863318 885253337 /nfs/dbraw/zinc/25/33/37/885253337.db2.gz CPDNLHJEDBKBBX-ZBSNKRKSSA-N 1 1 380.441 3.725 20 5 GHBDMO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000130863318 885253356 /nfs/dbraw/zinc/25/33/56/885253356.db2.gz CPDNLHJEDBKBBX-ZBSNKRKSSA-N 1 1 380.441 3.725 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000542550279 885273372 /nfs/dbraw/zinc/27/33/72/885273372.db2.gz ILBIDMGDLNAECQ-XFQAVAEZSA-N 1 1 399.466 3.864 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001131095809 885864960 /nfs/dbraw/zinc/86/49/60/885864960.db2.gz NBLIPTFSKXHMLL-KRWDZBQOSA-N 1 1 382.464 3.941 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000915170247 885934600 /nfs/dbraw/zinc/93/46/00/885934600.db2.gz QIKLCRMHIYFDKG-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000532570810 886138089 /nfs/dbraw/zinc/13/80/89/886138089.db2.gz CKIOJKREACKJSE-INIZCTEOSA-N 1 1 385.464 3.803 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000556877561 886410732 /nfs/dbraw/zinc/41/07/32/886410732.db2.gz SEMXWWQRTBZQDV-HXUWFJFHSA-N 1 1 375.432 3.731 20 5 GHBDMO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1(CC)CC ZINC000556871751 886426981 /nfs/dbraw/zinc/42/69/81/886426981.db2.gz MDNUKRZJRLQVJX-QRVBRYPASA-N 1 1 386.496 3.991 20 5 GHBDMO COc1cc(C[N@H+]2CCCC3(CCOCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000266041393 886501803 /nfs/dbraw/zinc/50/18/03/886501803.db2.gz WCMRKMURAIXTHL-UHFFFAOYSA-N 1 1 386.395 3.597 20 5 GHBDMO COc1ccc(C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000747534082 886907976 /nfs/dbraw/zinc/90/79/76/886907976.db2.gz YTCDOSMESLBCOX-UHFFFAOYSA-N 1 1 381.473 3.586 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)nc1-c1ccncc1 ZINC000863273266 886991113 /nfs/dbraw/zinc/99/11/13/886991113.db2.gz OANQHRVRPZEOOS-INIZCTEOSA-N 1 1 399.401 3.969 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)nc1-c1ccncc1 ZINC000863273266 886991118 /nfs/dbraw/zinc/99/11/18/886991118.db2.gz OANQHRVRPZEOOS-INIZCTEOSA-N 1 1 399.401 3.969 20 5 GHBDMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000193618084 887005945 /nfs/dbraw/zinc/00/59/45/887005945.db2.gz RDXIFJGNVMOLRS-UHFFFAOYSA-N 1 1 386.427 3.782 20 5 GHBDMO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000193618084 887005961 /nfs/dbraw/zinc/00/59/61/887005961.db2.gz RDXIFJGNVMOLRS-UHFFFAOYSA-N 1 1 386.427 3.782 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272498900 887586641 /nfs/dbraw/zinc/58/66/41/887586641.db2.gz GKPQDWQGVWFFRI-LAUBAEHRSA-N 1 1 391.475 3.534 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809690524 887666450 /nfs/dbraw/zinc/66/64/50/887666450.db2.gz TZKZNTUAXGSOCY-LBPRGKRZSA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809690524 887666456 /nfs/dbraw/zinc/66/64/56/887666456.db2.gz TZKZNTUAXGSOCY-LBPRGKRZSA-N 1 1 393.793 3.529 20 5 GHBDMO Cn1ccnc1[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272581867 887818139 /nfs/dbraw/zinc/81/81/39/887818139.db2.gz YJAOGIMZVWYUBY-OAQYLSRUSA-N 1 1 393.491 3.529 20 5 GHBDMO O=C([C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)N1CCCC1 ZINC000809947114 888014651 /nfs/dbraw/zinc/01/46/51/888014651.db2.gz ZQSVCCOBKNSVAV-LBPRGKRZSA-N 1 1 386.279 3.736 20 5 GHBDMO O=C([C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)N1CCCC1 ZINC000809947114 888014664 /nfs/dbraw/zinc/01/46/64/888014664.db2.gz ZQSVCCOBKNSVAV-LBPRGKRZSA-N 1 1 386.279 3.736 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001132118053 888256428 /nfs/dbraw/zinc/25/64/28/888256428.db2.gz QCMZRQMPUDRSHY-FQEVSTJZSA-N 1 1 381.476 3.698 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153879834 888784257 /nfs/dbraw/zinc/78/42/57/888784257.db2.gz FXUAKOBNCLGXRT-NRFANRHFSA-N 1 1 381.432 3.848 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000153960934 888963698 /nfs/dbraw/zinc/96/36/98/888963698.db2.gz GIGFACUTPAVGSV-MOPGFXCFSA-N 1 1 394.431 3.905 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000153960934 888963708 /nfs/dbraw/zinc/96/37/08/888963708.db2.gz GIGFACUTPAVGSV-MOPGFXCFSA-N 1 1 394.431 3.905 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1nc(C)ccc1C ZINC001184596865 913311272 /nfs/dbraw/zinc/31/12/72/913311272.db2.gz DVVXIEBHMFTBSC-UHFFFAOYSA-N 1 1 386.455 3.955 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454534295 889283422 /nfs/dbraw/zinc/28/34/22/889283422.db2.gz DWTXYUUDTAKKIH-QZTJIDSGSA-N 1 1 386.496 3.501 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000532940886 889342485 /nfs/dbraw/zinc/34/24/85/889342485.db2.gz FIIWFAXIYNHKEN-KRWDZBQOSA-N 1 1 383.448 3.812 20 5 GHBDMO CC(C)OCCN1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811483416 889633085 /nfs/dbraw/zinc/63/30/85/889633085.db2.gz JCBNXGLECMXVAS-UHFFFAOYSA-N 1 1 390.311 3.881 20 5 GHBDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533256373 890109914 /nfs/dbraw/zinc/10/99/14/890109914.db2.gz OFLFWLCPMQYIIR-INIZCTEOSA-N 1 1 385.420 3.735 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000533296566 890236006 /nfs/dbraw/zinc/23/60/06/890236006.db2.gz IODZLJHESLGPID-UHFFFAOYSA-N 1 1 399.422 3.739 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000533297971 890237615 /nfs/dbraw/zinc/23/76/15/890237615.db2.gz RHASGYKTIKNLMQ-ZOBUZTSGSA-N 1 1 383.448 3.808 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(c2ccccc2)CC1 ZINC000105689980 890527621 /nfs/dbraw/zinc/52/76/21/890527621.db2.gz UKDHEVNODGRXIB-HNNXBMFYSA-N 1 1 383.448 3.810 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000533469830 890632945 /nfs/dbraw/zinc/63/29/45/890632945.db2.gz DLCXCPDFMUQBJV-UHFFFAOYSA-N 1 1 387.402 3.806 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000533511782 890728545 /nfs/dbraw/zinc/72/85/45/890728545.db2.gz JEESLPBHMQDUGQ-IJEWVQPXSA-N 1 1 394.903 3.524 20 5 GHBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847845 891037731 /nfs/dbraw/zinc/03/77/31/891037731.db2.gz FRBPHLJESWGBFG-AUUYWEPGSA-N 1 1 382.420 3.589 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852513 891044996 /nfs/dbraw/zinc/04/49/96/891044996.db2.gz ZFRMBXCJFLZKHF-VLIAUNLRSA-N 1 1 389.427 3.507 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](C)CCOc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000026337027 891402218 /nfs/dbraw/zinc/40/22/18/891402218.db2.gz SRSLUSHDDLGCII-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO Nc1c(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc2ccccc2c1[N+](=O)[O-] ZINC001134438134 892858887 /nfs/dbraw/zinc/85/88/87/892858887.db2.gz YZHHKRUHJSABBZ-UHFFFAOYSA-N 1 1 391.431 3.968 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000778220359 893378952 /nfs/dbraw/zinc/37/89/52/893378952.db2.gz VKFCTFOTFJTWKC-INIZCTEOSA-N 1 1 397.809 3.759 20 5 GHBDMO O=C1C[C@]2(CN1)CCC[N@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C2 ZINC000536681641 893492704 /nfs/dbraw/zinc/49/27/04/893492704.db2.gz ORYLXTROGZZFSJ-NRFANRHFSA-N 1 1 399.422 3.628 20 5 GHBDMO COCC1(C)C[NH+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000459625550 893921079 /nfs/dbraw/zinc/92/10/79/893921079.db2.gz XLRBSQZAMFEFRM-UHFFFAOYSA-N 1 1 386.448 3.651 20 5 GHBDMO CC(C)COC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000877983371 893929087 /nfs/dbraw/zinc/92/90/87/893929087.db2.gz OANVMSHXSWCPCF-UHFFFAOYSA-N 1 1 394.859 3.935 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc(C)[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000563612970 893972954 /nfs/dbraw/zinc/97/29/54/893972954.db2.gz QBDPRKJLBIBCRC-CQSZACIVSA-N 1 1 397.435 3.670 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nc(C)n[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000563612970 893972964 /nfs/dbraw/zinc/97/29/64/893972964.db2.gz QBDPRKJLBIBCRC-CQSZACIVSA-N 1 1 397.435 3.670 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nc(C)n[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000563612970 893972971 /nfs/dbraw/zinc/97/29/71/893972971.db2.gz QBDPRKJLBIBCRC-CQSZACIVSA-N 1 1 397.435 3.670 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4n[nH]c(C)n4)C3)o2)c([N+](=O)[O-])c1 ZINC000563612970 893972980 /nfs/dbraw/zinc/97/29/80/893972980.db2.gz QBDPRKJLBIBCRC-CQSZACIVSA-N 1 1 397.435 3.670 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4n[nH]c(C)n4)C3)o2)c([N+](=O)[O-])c1 ZINC000563612970 893972993 /nfs/dbraw/zinc/97/29/93/893972993.db2.gz QBDPRKJLBIBCRC-CQSZACIVSA-N 1 1 397.435 3.670 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(F)c1 ZINC000459654346 893992781 /nfs/dbraw/zinc/99/27/81/893992781.db2.gz FHROEHVTTONMIG-HNNXBMFYSA-N 1 1 376.350 3.915 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(F)c1 ZINC000459654346 893992787 /nfs/dbraw/zinc/99/27/87/893992787.db2.gz FHROEHVTTONMIG-HNNXBMFYSA-N 1 1 376.350 3.915 20 5 GHBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000563660115 894036634 /nfs/dbraw/zinc/03/66/34/894036634.db2.gz CBCDCYTYXXCCNJ-ZDUSSCGKSA-N 1 1 376.482 3.569 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000536983530 894172112 /nfs/dbraw/zinc/17/21/12/894172112.db2.gz MORNUQFBBGBBIA-KXBFYZLASA-N 1 1 394.475 3.734 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH+]2CCC([C@@H]3CCOC3)CC2)o1 ZINC000878403269 894263188 /nfs/dbraw/zinc/26/31/88/894263188.db2.gz YVZPKPZVNUCPQM-CYBMUJFWSA-N 1 1 392.843 3.547 20 5 GHBDMO Cc1cnc(C2CC[NH+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)CC2)s1 ZINC000878512422 894351666 /nfs/dbraw/zinc/35/16/66/894351666.db2.gz CFQUBRYOEWGHSB-UHFFFAOYSA-N 1 1 385.449 3.789 20 5 GHBDMO O=C(N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001135370003 894452290 /nfs/dbraw/zinc/45/22/90/894452290.db2.gz YDWJFYMKMLZIBU-GOSISDBHSA-N 1 1 393.365 3.532 20 5 GHBDMO O=C(N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001135370003 894452298 /nfs/dbraw/zinc/45/22/98/894452298.db2.gz YDWJFYMKMLZIBU-GOSISDBHSA-N 1 1 393.365 3.532 20 5 GHBDMO O=C1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1c1cccc(C(F)(F)F)c1 ZINC000537310385 894754388 /nfs/dbraw/zinc/75/43/88/894754388.db2.gz GDHMZHTWCISFIS-GFCCVEGCSA-N 1 1 385.367 3.570 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc(C)cc([N+](=O)[O-])c3)C2)s1 ZINC000565737094 895840357 /nfs/dbraw/zinc/84/03/57/895840357.db2.gz KZCZLLNOZBVCCB-INIZCTEOSA-N 1 1 387.505 3.867 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000565924717 895984004 /nfs/dbraw/zinc/98/40/04/895984004.db2.gz ZFVQMBMKAQJNCE-GOSISDBHSA-N 1 1 397.475 3.805 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000819323713 896568161 /nfs/dbraw/zinc/56/81/61/896568161.db2.gz PJJKXZMTKFNWPO-DENIHFKCSA-N 1 1 383.492 3.520 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819323713 896568174 /nfs/dbraw/zinc/56/81/74/896568174.db2.gz PJJKXZMTKFNWPO-DENIHFKCSA-N 1 1 383.492 3.520 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289338528 914147235 /nfs/dbraw/zinc/14/72/35/914147235.db2.gz LOMPUCIHCPKZTG-PBHICJAKSA-N 1 1 379.420 3.980 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000132196607 897711316 /nfs/dbraw/zinc/71/13/16/897711316.db2.gz JRBUGQNEECYDRU-MAUKXSAKSA-N 1 1 385.439 3.859 20 5 GHBDMO COc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1SC ZINC000103070172 898066013 /nfs/dbraw/zinc/06/60/13/898066013.db2.gz YRHBXNQWYILFIZ-AWEZNQCLSA-N 1 1 395.525 3.567 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC[C@H]4CC4(Cl)Cl)CC3)nc2c1 ZINC000822852179 898675257 /nfs/dbraw/zinc/67/52/57/898675257.db2.gz QFTIJBVRFSBNAJ-LBPRGKRZSA-N 1 1 398.294 3.567 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001136677675 898849577 /nfs/dbraw/zinc/84/95/77/898849577.db2.gz ANHJUKYKWGOXEG-UHFFFAOYSA-N 1 1 381.476 3.948 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001136677675 898849582 /nfs/dbraw/zinc/84/95/82/898849582.db2.gz ANHJUKYKWGOXEG-UHFFFAOYSA-N 1 1 381.476 3.948 20 5 GHBDMO C[N@@H+](Cc1ccc(O)cc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569866345 898993027 /nfs/dbraw/zinc/99/30/27/898993027.db2.gz GLOFINGEMVHNKW-UHFFFAOYSA-N 1 1 398.200 3.537 20 5 GHBDMO C[C@H](c1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000118029515 899404350 /nfs/dbraw/zinc/40/43/50/899404350.db2.gz RJWMQUSEHJTVHS-JKSUJKDBSA-N 1 1 398.463 3.871 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000134111174 899587574 /nfs/dbraw/zinc/58/75/74/899587574.db2.gz SVCYLQXSXBGXPO-CVEARBPZSA-N 1 1 393.484 3.599 20 5 GHBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000824451434 899609104 /nfs/dbraw/zinc/60/91/04/899609104.db2.gz XBQGIQUKDUIUOP-AWEZNQCLSA-N 1 1 387.461 3.597 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(F)cc(Br)c3)CC2)n1 ZINC000332430390 899664283 /nfs/dbraw/zinc/66/42/83/899664283.db2.gz FCVWMPCDJSMATP-UHFFFAOYSA-N 1 1 383.221 3.530 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)n1 ZINC000332468659 899692217 /nfs/dbraw/zinc/69/22/17/899692217.db2.gz SYVMMWRUDSKZOW-UHFFFAOYSA-N 1 1 383.221 3.530 20 5 GHBDMO CN1C(=O)CCc2cc(C[N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)ccc21 ZINC000824820375 899826025 /nfs/dbraw/zinc/82/60/25/899826025.db2.gz DMWKKDKUISEHGF-LJQANCHMSA-N 1 1 379.460 3.883 20 5 GHBDMO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1n1cccn1 ZINC000825118420 899990054 /nfs/dbraw/zinc/99/00/54/899990054.db2.gz TWFFBLFHJCHYHY-BBWFWOEESA-N 1 1 378.860 3.732 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000843841014 900272135 /nfs/dbraw/zinc/27/21/35/900272135.db2.gz VIPLEMMYGKBVBN-CRAIPNDOSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000843841014 900272145 /nfs/dbraw/zinc/27/21/45/900272145.db2.gz VIPLEMMYGKBVBN-CRAIPNDOSA-N 1 1 391.830 3.871 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000045622912 900305988 /nfs/dbraw/zinc/30/59/88/900305988.db2.gz AHTBIDCODWCRJW-QGZVFWFLSA-N 1 1 396.491 3.826 20 5 GHBDMO COC(=O)/C=C\c1ccc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000772904623 900838642 /nfs/dbraw/zinc/83/86/42/900838642.db2.gz RPXAPHKGCSDMBB-KMDWOBIYSA-N 1 1 375.469 3.561 20 5 GHBDMO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000575847021 901376833 /nfs/dbraw/zinc/37/68/33/901376833.db2.gz CFSXPOXHNJGOMH-IOMROCGXSA-N 1 1 393.487 3.679 20 5 GHBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000093808385 901566768 /nfs/dbraw/zinc/56/67/68/901566768.db2.gz JOGRBAGDJUQCEX-LBPRGKRZSA-N 1 1 377.828 3.596 20 5 GHBDMO O=C(C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccs1 ZINC000121808918 901679835 /nfs/dbraw/zinc/67/98/35/901679835.db2.gz OARJTNZEVRNCCV-OAHLLOKOSA-N 1 1 388.445 3.760 20 5 GHBDMO O=C(C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccs1 ZINC000121808918 901679841 /nfs/dbraw/zinc/67/98/41/901679841.db2.gz OARJTNZEVRNCCV-OAHLLOKOSA-N 1 1 388.445 3.760 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123653041 901958682 /nfs/dbraw/zinc/95/86/82/901958682.db2.gz ODOOBLNPTISAPO-OAHLLOKOSA-N 1 1 387.484 3.760 20 5 GHBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000577020643 902436765 /nfs/dbraw/zinc/43/67/65/902436765.db2.gz ABUWXWXPBSCEPW-NSHDSACASA-N 1 1 386.290 3.516 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000264619391 903251130 /nfs/dbraw/zinc/25/11/30/903251130.db2.gz HQRDQQHQAHOPNX-SFHVURJKSA-N 1 1 397.479 3.817 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000578975906 904272464 /nfs/dbraw/zinc/27/24/64/904272464.db2.gz HZOSIUCGABSDJI-YXJHDRRASA-N 1 1 395.887 3.592 20 5 GHBDMO CC(C)OCc1nc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000290930703 914875255 /nfs/dbraw/zinc/87/52/55/914875255.db2.gz OWXXWVVSWWVWPD-ZMSDIMECSA-N 1 1 388.468 3.965 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@@H]1c1ccccc1 ZINC000365786299 921161807 /nfs/dbraw/zinc/16/18/07/921161807.db2.gz NHQOUKVVYKJVSK-GMAHTHKFSA-N 1 1 397.478 3.857 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@@H]1c1ccccc1 ZINC000365786299 921161813 /nfs/dbraw/zinc/16/18/13/921161813.db2.gz NHQOUKVVYKJVSK-GMAHTHKFSA-N 1 1 397.478 3.857 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801601869 921181003 /nfs/dbraw/zinc/18/10/03/921181003.db2.gz QCQGBUCXOVJMBE-UHFFFAOYSA-N 1 1 394.225 3.940 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@]3(C[C@H](OCC4CC4)CO3)C1)CC2 ZINC001172907995 905936269 /nfs/dbraw/zinc/93/62/69/905936269.db2.gz ABJQZNAWYGVFRT-HJNYFJLDSA-N 1 1 386.492 3.502 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCO[C@@H](COc3ccccc3)C1)CC2 ZINC001172920040 905990314 /nfs/dbraw/zinc/99/03/14/905990314.db2.gz IAZIYFNSXSJLJC-DENIHFKCSA-N 1 1 382.460 3.622 20 5 GHBDMO C[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001172921646 905992857 /nfs/dbraw/zinc/99/28/57/905992857.db2.gz QJAXTGBSIMMTIA-LJHODMEESA-N 1 1 389.496 3.687 20 5 GHBDMO O=C(Nc1ccccc1)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000176991269 906016330 /nfs/dbraw/zinc/01/63/30/906016330.db2.gz XDTUXYMUVVBENM-UHFFFAOYSA-N 1 1 380.404 3.587 20 5 GHBDMO CC(C)C(=O)N1CCC[C@@]12CC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172912189 906021660 /nfs/dbraw/zinc/02/16/60/906021660.db2.gz YPIQGPONBZEKNB-KNQAVFIVSA-N 1 1 385.508 3.565 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@H](C(F)(F)F)C3)CC2)c(F)c1 ZINC001173017805 906095133 /nfs/dbraw/zinc/09/51/33/906095133.db2.gz JGLJMHDOWMWFPL-JTQLQIEISA-N 1 1 379.329 3.726 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(Oc3ccncc3)CC2)c1F ZINC001173180261 906259963 /nfs/dbraw/zinc/25/99/63/906259963.db2.gz JKIZVHDJNBHXDJ-CQSZACIVSA-N 1 1 389.427 3.612 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](Oc3cccc(C)n3)C2)c1F ZINC001173191487 906274049 /nfs/dbraw/zinc/27/40/49/906274049.db2.gz CNLPCENZEADORT-GJZGRUSLSA-N 1 1 389.427 3.530 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173221430 906300298 /nfs/dbraw/zinc/30/02/98/906300298.db2.gz IIXRFYMJZAVSFK-YJBOKZPZSA-N 1 1 377.485 3.857 20 5 GHBDMO CC(C)COC[C@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(C)c21 ZINC001173228147 906311416 /nfs/dbraw/zinc/31/14/16/906311416.db2.gz WXOTUNIBOMZVOJ-FUHWJXTLSA-N 1 1 386.496 3.531 20 5 GHBDMO CC(C)COC[C@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(C)c21 ZINC001173228147 906311430 /nfs/dbraw/zinc/31/14/30/906311430.db2.gz WXOTUNIBOMZVOJ-FUHWJXTLSA-N 1 1 386.496 3.531 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001173228442 906311457 /nfs/dbraw/zinc/31/14/57/906311457.db2.gz RFVHOMRRGCBHGX-IDZYALCFSA-N 1 1 397.475 3.622 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173230693 906314155 /nfs/dbraw/zinc/31/41/55/906314155.db2.gz ZKNVJDBIAFDLOX-RVKKMQEKSA-N 1 1 377.485 3.761 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001173238540 906350759 /nfs/dbraw/zinc/35/07/59/906350759.db2.gz VAQAJDKZCOJFAT-NVXWUHKLSA-N 1 1 385.439 3.559 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nncn4C4CC4)C3)co2)cc1 ZINC000180875658 906868185 /nfs/dbraw/zinc/86/81/85/906868185.db2.gz DLWGKVKHSJEYRD-OAHLLOKOSA-N 1 1 394.435 3.556 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nncn4C4CC4)C3)co2)cc1 ZINC000180875658 906868194 /nfs/dbraw/zinc/86/81/94/906868194.db2.gz DLWGKVKHSJEYRD-OAHLLOKOSA-N 1 1 394.435 3.556 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001174832233 907229734 /nfs/dbraw/zinc/22/97/34/907229734.db2.gz KTQQVMSEIMXLAD-AEFFLSMTSA-N 1 1 399.516 3.775 20 5 GHBDMO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001174914809 907286524 /nfs/dbraw/zinc/28/65/24/907286524.db2.gz GHPWFPSSUQHLJP-LIRRHRJNSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001174914809 907286537 /nfs/dbraw/zinc/28/65/37/907286537.db2.gz GHPWFPSSUQHLJP-LIRRHRJNSA-N 1 1 379.432 3.613 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643038 907655845 /nfs/dbraw/zinc/65/58/45/907655845.db2.gz JLLMFNSTZIGOOW-FQEVSTJZSA-N 1 1 375.469 3.977 20 5 GHBDMO COCCOc1ncccc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001177303876 908504368 /nfs/dbraw/zinc/50/43/68/908504368.db2.gz XROQHPPWAGDKSJ-UHFFFAOYSA-N 1 1 383.404 3.565 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000193639457 908586775 /nfs/dbraw/zinc/58/67/75/908586775.db2.gz HPEPNFZFOLXAGP-OAHLLOKOSA-N 1 1 388.855 3.892 20 5 GHBDMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191507375 908633855 /nfs/dbraw/zinc/63/38/55/908633855.db2.gz JNHHLPPSBMYBLG-HNNXBMFYSA-N 1 1 398.467 3.877 20 5 GHBDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865387 909054440 /nfs/dbraw/zinc/05/44/40/909054440.db2.gz MEVSRIQLNVFXLB-CQSZACIVSA-N 1 1 378.860 3.674 20 5 GHBDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865387 909054459 /nfs/dbraw/zinc/05/44/59/909054459.db2.gz MEVSRIQLNVFXLB-CQSZACIVSA-N 1 1 378.860 3.674 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@H](COc4ccccc4)C3)c2)c1 ZINC000779886485 909060114 /nfs/dbraw/zinc/06/01/14/909060114.db2.gz WWUSBPQOXSINJA-KRWDZBQOSA-N 1 1 378.432 3.817 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001179854377 909770524 /nfs/dbraw/zinc/77/05/24/909770524.db2.gz GCKZHMPQQCXHEY-NSHDSACASA-N 1 1 376.320 3.583 20 5 GHBDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795645409 911654935 /nfs/dbraw/zinc/65/49/35/911654935.db2.gz PNNKVNIETRTDRG-UHFFFAOYSA-N 1 1 394.353 3.975 20 5 GHBDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795645409 911654946 /nfs/dbraw/zinc/65/49/46/911654946.db2.gz PNNKVNIETRTDRG-UHFFFAOYSA-N 1 1 394.353 3.975 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@](CO)(c4ccccc4)C3)cs2)c1 ZINC000291175594 915019047 /nfs/dbraw/zinc/01/90/47/915019047.db2.gz FCCGQNIXQFKVRH-OAQYLSRUSA-N 1 1 395.484 3.854 20 5 GHBDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303705066 915061972 /nfs/dbraw/zinc/06/19/72/915061972.db2.gz BQELCYSPXPPANA-YOEHRIQHSA-N 1 1 383.423 3.501 20 5 GHBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001187361091 915195004 /nfs/dbraw/zinc/19/50/04/915195004.db2.gz FFUXBCBYOUIDOT-LBPRGKRZSA-N 1 1 375.395 3.556 20 5 GHBDMO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000295144625 917168915 /nfs/dbraw/zinc/16/89/15/917168915.db2.gz BJHMFNWRNYGPRW-MLGOLLRUSA-N 1 1 397.397 3.703 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001190855086 917604263 /nfs/dbraw/zinc/60/42/63/917604263.db2.gz MWINNVUTCGXISK-SJLPKXTDSA-N 1 1 397.475 3.885 20 5 GHBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001191474266 918010420 /nfs/dbraw/zinc/01/04/20/918010420.db2.gz ICIAAAWMOFITEG-PLMTUMEDSA-N 1 1 379.460 3.653 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001192174415 918523229 /nfs/dbraw/zinc/52/32/29/918523229.db2.gz RIYPHOPQXWFKGV-LBPRGKRZSA-N 1 1 397.353 3.952 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001192174415 918523234 /nfs/dbraw/zinc/52/32/34/918523234.db2.gz RIYPHOPQXWFKGV-LBPRGKRZSA-N 1 1 397.353 3.952 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)n1 ZINC000543791087 918579215 /nfs/dbraw/zinc/57/92/15/918579215.db2.gz AWEVSOSZSFILGF-UHFFFAOYSA-N 1 1 376.407 3.961 20 5 GHBDMO Cc1ccccc1[C@]1(F)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000800472732 920150751 /nfs/dbraw/zinc/15/07/51/920150751.db2.gz ZJJSFWOPFYMKGF-FQEVSTJZSA-N 1 1 389.402 3.942 20 5 GHBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000801525468 921095481 /nfs/dbraw/zinc/09/54/81/921095481.db2.gz KZLZSVFSVYAUOK-GOEBONIOSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000801525468 921095494 /nfs/dbraw/zinc/09/54/94/921095494.db2.gz KZLZSVFSVYAUOK-GOEBONIOSA-N 1 1 381.448 3.859 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc(-c4ccc(F)cc4)n3)CC2)n1 ZINC000369669956 923531504 /nfs/dbraw/zinc/53/15/04/923531504.db2.gz HKFMVZMQLPFSLS-UHFFFAOYSA-N 1 1 387.440 3.891 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000409661194 924862919 /nfs/dbraw/zinc/86/29/19/924862919.db2.gz VMRDAGXQKSWEES-HNNXBMFYSA-N 1 1 394.435 3.562 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1F ZINC000827714425 925935840 /nfs/dbraw/zinc/93/58/40/925935840.db2.gz CMVHAMYJJIKMTC-HUUCEWRRSA-N 1 1 395.450 3.908 20 5 GHBDMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373244354 925962529 /nfs/dbraw/zinc/96/25/29/925962529.db2.gz QLCGODAVZWIFHX-HOTGVXAUSA-N 1 1 399.495 3.969 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1)C(C)C ZINC000726054951 926541001 /nfs/dbraw/zinc/54/10/01/926541001.db2.gz WJMAYVYPAJDNRI-UHFFFAOYSA-N 1 1 399.447 3.621 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000154556258 926825153 /nfs/dbraw/zinc/82/51/53/926825153.db2.gz YCMGAUWIDJGKMJ-UHFFFAOYSA-N 1 1 393.447 3.711 20 5 GHBDMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000412056865 927043233 /nfs/dbraw/zinc/04/32/33/927043233.db2.gz PPOZHRYLMSCIFP-AWEZNQCLSA-N 1 1 385.386 3.591 20 5 GHBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000412056865 927043242 /nfs/dbraw/zinc/04/32/42/927043242.db2.gz PPOZHRYLMSCIFP-AWEZNQCLSA-N 1 1 385.386 3.591 20 5 GHBDMO O=[N+]([O-])c1ccc(NC(=S)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000751034400 927992971 /nfs/dbraw/zinc/99/29/71/927992971.db2.gz FTWQYHDWCZROEN-UHFFFAOYSA-N 1 1 398.532 3.932 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(CC)CC ZINC000751959311 928512145 /nfs/dbraw/zinc/51/21/45/928512145.db2.gz KNGWCMSMZAJAPE-IRXDYDNUSA-N 1 1 375.473 3.521 20 5 GHBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000752069499 928582299 /nfs/dbraw/zinc/58/22/99/928582299.db2.gz PEYAFCXRNKSMCX-JKSUJKDBSA-N 1 1 393.484 3.599 20 5 GHBDMO Cc1nn(CN2CCC(CCC[NH+]3CCCC3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000752803538 929030377 /nfs/dbraw/zinc/03/03/77/929030377.db2.gz NNRFTZVOIQPNAR-UHFFFAOYSA-N 1 1 385.512 3.798 20 5 GHBDMO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000469561851 929991005 /nfs/dbraw/zinc/99/10/05/929991005.db2.gz IKAANWVZQTYIDK-OAQYLSRUSA-N 1 1 399.491 3.708 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000469561851 929991016 /nfs/dbraw/zinc/99/10/16/929991016.db2.gz IKAANWVZQTYIDK-OAQYLSRUSA-N 1 1 399.491 3.708 20 5 GHBDMO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000546540049 930250063 /nfs/dbraw/zinc/25/00/63/930250063.db2.gz CGKKUYFDMNNILG-SFHVURJKSA-N 1 1 399.466 3.792 20 5 GHBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000470135486 930398142 /nfs/dbraw/zinc/39/81/42/930398142.db2.gz ULTPKFCEHUKEQM-ZTQAJYAQSA-N 1 1 399.422 3.612 20 5 GHBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000470135486 930398151 /nfs/dbraw/zinc/39/81/51/930398151.db2.gz ULTPKFCEHUKEQM-ZTQAJYAQSA-N 1 1 399.422 3.612 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000780765827 930593847 /nfs/dbraw/zinc/59/38/47/930593847.db2.gz HDOZMJDWNPEHDY-PMACEKPBSA-N 1 1 392.459 3.521 20 5 GHBDMO Cc1ccnc(OC2CC[NH+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC2)c1 ZINC000782276843 931151183 /nfs/dbraw/zinc/15/11/83/931151183.db2.gz FBQKDFXUDAZXJA-UHFFFAOYSA-N 1 1 393.447 3.663 20 5 GHBDMO O=C(CC[N@H+]1CCS[C@@H](c2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782499760 931242804 /nfs/dbraw/zinc/24/28/04/931242804.db2.gz VMSKIJJZCQBXPX-GOSISDBHSA-N 1 1 389.452 3.853 20 5 GHBDMO COc1ccc(C2([NH2+]Cc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000557503438 931475774 /nfs/dbraw/zinc/47/57/74/931475774.db2.gz QLALZKKXSSOJKB-UHFFFAOYSA-N 1 1 394.374 3.992 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)ccc1Br ZINC000783598460 931592619 /nfs/dbraw/zinc/59/26/19/931592619.db2.gz SCEHXXFPISYMKP-OAHLLOKOSA-N 1 1 376.254 3.817 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)ccc1Br ZINC000783598460 931592624 /nfs/dbraw/zinc/59/26/24/931592624.db2.gz SCEHXXFPISYMKP-OAHLLOKOSA-N 1 1 376.254 3.817 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000558061175 931822651 /nfs/dbraw/zinc/82/26/51/931822651.db2.gz DRKSGGQSBNLYIY-GOSISDBHSA-N 1 1 383.448 3.860 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000558061175 931822660 /nfs/dbraw/zinc/82/26/60/931822660.db2.gz DRKSGGQSBNLYIY-GOSISDBHSA-N 1 1 383.448 3.860 20 5 GHBDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000558126759 931850691 /nfs/dbraw/zinc/85/06/91/931850691.db2.gz JPPMJYCKSPALNC-GFCCVEGCSA-N 1 1 395.381 3.776 20 5 GHBDMO CN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccc([N+](=O)[O-])nc1 ZINC000558184880 931877132 /nfs/dbraw/zinc/87/71/32/931877132.db2.gz TXJJJCQDNZITCB-UHFFFAOYSA-N 1 1 390.443 3.655 20 5 GHBDMO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796681432 932028257 /nfs/dbraw/zinc/02/82/57/932028257.db2.gz DNTQKLZPVJUEIU-INIZCTEOSA-N 1 1 379.432 3.757 20 5 GHBDMO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796681432 932028266 /nfs/dbraw/zinc/02/82/66/932028266.db2.gz DNTQKLZPVJUEIU-INIZCTEOSA-N 1 1 379.432 3.757 20 5 GHBDMO O=[N+]([O-])c1cccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559326570 932602259 /nfs/dbraw/zinc/60/22/59/932602259.db2.gz OLMYCQHLPHUPNB-OAQYLSRUSA-N 1 1 395.503 3.613 20 5 GHBDMO O=[N+]([O-])c1cccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559326570 932602263 /nfs/dbraw/zinc/60/22/63/932602263.db2.gz OLMYCQHLPHUPNB-OAQYLSRUSA-N 1 1 395.503 3.613 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798479109 932662254 /nfs/dbraw/zinc/66/22/54/932662254.db2.gz LWXOQFNWGGDAKY-OAQYLSRUSA-N 1 1 382.464 3.937 20 5 GHBDMO C[C@@]1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000798528440 932693679 /nfs/dbraw/zinc/69/36/79/932693679.db2.gz QKWWCPZCRPDDNY-FQEVSTJZSA-N 1 1 387.867 3.890 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)c2)c1 ZINC000560001657 933011749 /nfs/dbraw/zinc/01/17/49/933011749.db2.gz HZQFKEREOYNZBD-QFIPXVFZSA-N 1 1 392.459 3.749 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560513886 933304105 /nfs/dbraw/zinc/30/41/05/933304105.db2.gz JQHUJZJPZSYDTH-UEXGIBASSA-N 1 1 399.539 3.765 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560513884 933304637 /nfs/dbraw/zinc/30/46/37/933304637.db2.gz JQHUJZJPZSYDTH-LVCYWYKZSA-N 1 1 399.539 3.765 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000560548871 933334260 /nfs/dbraw/zinc/33/42/60/933334260.db2.gz JOEHSAXZNQSCFH-SFHVURJKSA-N 1 1 390.365 3.667 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000929778561 933626858 /nfs/dbraw/zinc/62/68/58/933626858.db2.gz SPWLVKPZWRCULK-UHFFFAOYSA-N 1 1 385.468 3.503 20 5 GHBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000561282565 934018911 /nfs/dbraw/zinc/01/89/11/934018911.db2.gz WILOEFYCLBPMQI-NRFANRHFSA-N 1 1 399.878 3.986 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+](CCc3ccccc3)[C@@H]3CCOC3)c2)c1 ZINC000777964865 934411616 /nfs/dbraw/zinc/41/16/16/934411616.db2.gz TVHQRPFLKRGNQV-JOCHJYFZSA-N 1 1 392.459 3.749 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000561804781 934467900 /nfs/dbraw/zinc/46/79/00/934467900.db2.gz LLSWHJXHFHMNKP-SJLPKXTDSA-N 1 1 382.464 3.996 20 5 GHBDMO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC001121002634 934550073 /nfs/dbraw/zinc/55/00/73/934550073.db2.gz PRFGNOGFIQYMDC-ZDUSSCGKSA-N 1 1 376.432 3.562 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cccc1[N+](=O)[O-] ZINC000931913127 934762814 /nfs/dbraw/zinc/76/28/14/934762814.db2.gz GUBJORLQYHWJFR-OAHLLOKOSA-N 1 1 389.349 3.598 20 5 GHBDMO CCC[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001137819506 935806911 /nfs/dbraw/zinc/80/69/11/935806911.db2.gz WECVRFVRIQEGLH-LJQANCHMSA-N 1 1 396.491 3.520 20 5 GHBDMO CCOc1cc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)ccc1[N+](=O)[O-] ZINC001626005496 1014739414 /nfs/dbraw/zinc/73/94/14/1014739414.db2.gz HVQGVASVJWSSEF-KRWDZBQOSA-N 1 1 390.484 3.912 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000468742486 1015983300 /nfs/dbraw/zinc/98/33/00/1015983300.db2.gz BWXYHQIYUHHKHH-RBNQXFGJSA-N 1 1 394.475 3.560 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545872058 1016556370 /nfs/dbraw/zinc/55/63/70/1016556370.db2.gz PRSVZMDHMLXAKE-HNNXBMFYSA-N 1 1 379.476 3.640 20 5 GHBDMO C[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000470117955 1016726975 /nfs/dbraw/zinc/72/69/75/1016726975.db2.gz RQROJULGOOEVTB-HNNXBMFYSA-N 1 1 386.427 3.862 20 5 GHBDMO Cc1ccc(OCCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000557392702 1016992947 /nfs/dbraw/zinc/99/29/47/1016992947.db2.gz ABMYVHDGPHFCMP-FQEVSTJZSA-N 1 1 380.448 3.785 20 5 GHBDMO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227245786 1032341401 /nfs/dbraw/zinc/34/14/01/1032341401.db2.gz BOMJPYIGWRTCEX-NWDGAFQWSA-N 1 1 382.342 3.618 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227245786 1032341408 /nfs/dbraw/zinc/34/14/08/1032341408.db2.gz BOMJPYIGWRTCEX-NWDGAFQWSA-N 1 1 382.342 3.618 20 5 GHBDMO O=[N+]([O-])c1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000559326103 1017426707 /nfs/dbraw/zinc/42/67/07/1017426707.db2.gz BOHHMZYGRGUCFH-NRFANRHFSA-N 1 1 395.503 3.613 20 5 GHBDMO O=[N+]([O-])c1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000559326103 1017426713 /nfs/dbraw/zinc/42/67/13/1017426713.db2.gz BOHHMZYGRGUCFH-NRFANRHFSA-N 1 1 395.503 3.613 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3cc([N+](=O)[O-])cc(F)c3F)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001228019141 1032739746 /nfs/dbraw/zinc/73/97/46/1032739746.db2.gz FGDABIJSLZSGTM-VHSSKADRSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3cc([N+](=O)[O-])cc(F)c3F)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001228019141 1032739750 /nfs/dbraw/zinc/73/97/50/1032739750.db2.gz FGDABIJSLZSGTM-VHSSKADRSA-N 1 1 388.370 3.626 20 5 GHBDMO COCc1c(C)cc(C)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC001204306830 1032748063 /nfs/dbraw/zinc/74/80/63/1032748063.db2.gz KLDAMTKMTMBSIB-KRWDZBQOSA-N 1 1 384.480 3.748 20 5 GHBDMO O=[N+]([O-])c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ncccc12 ZINC001228138446 1032805133 /nfs/dbraw/zinc/80/51/33/1032805133.db2.gz LAKVTTMGFJUNKL-GOSISDBHSA-N 1 1 393.443 3.813 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000564519233 1019085802 /nfs/dbraw/zinc/08/58/02/1019085802.db2.gz AHKSXGJWAFSQQE-IBGZPJMESA-N 1 1 381.476 3.935 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)c2ccccc2)c1 ZINC000779057477 1020343082 /nfs/dbraw/zinc/34/30/82/1020343082.db2.gz BIRXYMIIKRLXTR-DHIUTWEWSA-N 1 1 395.503 3.917 20 5 GHBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2N1 ZINC000195665887 1020971236 /nfs/dbraw/zinc/97/12/36/1020971236.db2.gz CXWHLDRWEAWPAR-QGZVFWFLSA-N 1 1 380.448 3.556 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)c2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC001156293126 1032962620 /nfs/dbraw/zinc/96/26/20/1032962620.db2.gz WCPHTMXPOUTYLM-GOSISDBHSA-N 1 1 384.480 3.798 20 5 GHBDMO O=c1[nH]c(C2CC2)nc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001228603507 1033002686 /nfs/dbraw/zinc/00/26/86/1033002686.db2.gz LKZIFQJGYLGCEY-FVQHAEBGSA-N 1 1 396.447 3.542 20 5 GHBDMO O=c1[nH]c(C2CC2)nc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001228603507 1033002697 /nfs/dbraw/zinc/00/26/97/1033002697.db2.gz LKZIFQJGYLGCEY-FVQHAEBGSA-N 1 1 396.447 3.542 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000754099651 1022481487 /nfs/dbraw/zinc/48/14/87/1022481487.db2.gz WZUUHSQMQDSJTO-YMTYPPQLSA-N 1 1 397.450 3.980 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000754478776 1022729387 /nfs/dbraw/zinc/72/93/87/1022729387.db2.gz VGLKDILECXCOSE-RAXLEYEMSA-N 1 1 386.477 3.860 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000754478776 1022729402 /nfs/dbraw/zinc/72/94/02/1022729402.db2.gz VGLKDILECXCOSE-RAXLEYEMSA-N 1 1 386.477 3.860 20 5 GHBDMO CCOc1cc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000755043189 1023041165 /nfs/dbraw/zinc/04/11/65/1023041165.db2.gz VKLJJQAKMKBUPU-UHFFFAOYSA-N 1 1 393.484 3.825 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC001228803018 1033105028 /nfs/dbraw/zinc/10/50/28/1033105028.db2.gz RLTUMXYAEAHHIA-DNVCBOLYSA-N 1 1 394.427 3.991 20 5 GHBDMO O=c1oc2ccccc2c(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228803281 1033105157 /nfs/dbraw/zinc/10/51/57/1033105157.db2.gz YFXZCJAEGAJUAS-INIZCTEOSA-N 1 1 380.400 3.745 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC001228806902 1033109458 /nfs/dbraw/zinc/10/94/58/1033109458.db2.gz RMAHTUKYOZTOBK-MAUKXSAKSA-N 1 1 394.427 3.991 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC001228806904 1033109876 /nfs/dbraw/zinc/10/98/76/1033109876.db2.gz RMAHTUKYOZTOBK-YJBOKZPZSA-N 1 1 394.427 3.991 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755866778 1023409553 /nfs/dbraw/zinc/40/95/53/1023409553.db2.gz CHFBMYRMABEYTG-RDJZCZTQSA-N 1 1 384.432 3.671 20 5 GHBDMO COc1cc(C(=O)O[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000755877749 1023416784 /nfs/dbraw/zinc/41/67/84/1023416784.db2.gz ZEEIDCXYNLKDGS-CRAIPNDOSA-N 1 1 384.432 3.671 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000755932426 1023442956 /nfs/dbraw/zinc/44/29/56/1023442956.db2.gz FVNCTYHTHBWQIX-GOSISDBHSA-N 1 1 392.463 3.541 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000755932426 1023442960 /nfs/dbraw/zinc/44/29/60/1023442960.db2.gz FVNCTYHTHBWQIX-GOSISDBHSA-N 1 1 392.463 3.541 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)c([N+](=O)[O-])c1 ZINC000830512937 1023962450 /nfs/dbraw/zinc/96/24/50/1023962450.db2.gz SGSPSVNCXNZVIG-IBGZPJMESA-N 1 1 383.404 3.663 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000830913757 1024239167 /nfs/dbraw/zinc/23/91/67/1024239167.db2.gz ILERIXHHGRGGRX-CALCHBBNSA-N 1 1 399.878 3.761 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000831384459 1024532490 /nfs/dbraw/zinc/53/24/90/1024532490.db2.gz FIQYLLFTFJBDPE-SJORKVTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000831384459 1024532505 /nfs/dbraw/zinc/53/25/05/1024532505.db2.gz FIQYLLFTFJBDPE-SJORKVTESA-N 1 1 377.803 3.563 20 5 GHBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1cc([N+](=O)[O-])ccc1F ZINC001141321889 1024542925 /nfs/dbraw/zinc/54/29/25/1024542925.db2.gz UZLHZWYAMHYQNV-UHFFFAOYSA-N 1 1 392.390 3.944 20 5 GHBDMO O=C1O[C@@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1c1ccccc1 ZINC000831539196 1024627471 /nfs/dbraw/zinc/62/74/71/1024627471.db2.gz OPMRZILBLNIGBZ-PXNSSMCTSA-N 1 1 381.432 3.800 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001162141570 1025628317 /nfs/dbraw/zinc/62/83/17/1025628317.db2.gz XYSYXCHIILMFKX-UHFFFAOYSA-N 1 1 385.390 3.799 20 5 GHBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](O)c1ccccc1Br ZINC000832671962 1025822986 /nfs/dbraw/zinc/82/29/86/1025822986.db2.gz GYVUWKIRSIYOAY-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](O)c1ccccc1Br ZINC000832671962 1025822996 /nfs/dbraw/zinc/82/29/96/1025822996.db2.gz GYVUWKIRSIYOAY-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)c1ccccc1Br ZINC000832679349 1025826271 /nfs/dbraw/zinc/82/62/71/1025826271.db2.gz DRJJYVUWGNNROZ-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC001162764056 1025910026 /nfs/dbraw/zinc/91/00/26/1025910026.db2.gz ZLNFMRMMSHIANL-ZDUSSCGKSA-N 1 1 385.855 3.989 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000839500232 1025986969 /nfs/dbraw/zinc/98/69/69/1025986969.db2.gz DPWVAIUHXYHWCP-IRXDYDNUSA-N 1 1 389.477 3.573 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1Br ZINC000839551783 1026050575 /nfs/dbraw/zinc/05/05/75/1026050575.db2.gz CZDWPTSJMBWLRD-CQSZACIVSA-N 1 1 376.254 3.817 20 5 GHBDMO Cc1n[nH]cc1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839596168 1026096637 /nfs/dbraw/zinc/09/66/37/1026096637.db2.gz SDKPYWGQDSAJEE-UHFFFAOYSA-N 1 1 379.258 3.768 20 5 GHBDMO COc1nc(C)c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1[N+](=O)[O-] ZINC001164491648 1026529289 /nfs/dbraw/zinc/52/92/89/1026529289.db2.gz FXSUFXWRWOMBQU-KZNAEPCWSA-N 1 1 382.464 3.629 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC3(C2)C[NH+](Cc2ccccc2)C3)nc1Cl ZINC001165122774 1026617233 /nfs/dbraw/zinc/61/72/33/1026617233.db2.gz ORVCRDBZYBRAGT-UHFFFAOYSA-N 1 1 394.809 3.510 20 5 GHBDMO COc1cc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)ncc1[N+](=O)[O-] ZINC001166572120 1027030232 /nfs/dbraw/zinc/03/02/32/1027030232.db2.gz MXPXUAUFQATVEE-UHFFFAOYSA-N 1 1 399.838 3.527 20 5 GHBDMO Cc1c(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc(F)cc1[N+](=O)[O-] ZINC001216901993 1029988709 /nfs/dbraw/zinc/98/87/09/1029988709.db2.gz FZGGWCXSXPEPNG-UHFFFAOYSA-N 1 1 398.394 3.592 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001222777260 1030304521 /nfs/dbraw/zinc/30/45/21/1030304521.db2.gz GXGZNFQJZWVOQO-CVEARBPZSA-N 1 1 399.447 3.519 20 5 GHBDMO CC[N@@H+](C)[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001150280196 1030476084 /nfs/dbraw/zinc/47/60/84/1030476084.db2.gz JGMAIVFTMXZHPU-KRWDZBQOSA-N 1 1 379.819 3.697 20 5 GHBDMO COC(=O)c1ccc(CO[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001223412173 1030563422 /nfs/dbraw/zinc/56/34/22/1030563422.db2.gz YKLCJXVEUNWHAC-KKSFZXQISA-N 1 1 398.459 3.809 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223485865 1030598489 /nfs/dbraw/zinc/59/84/89/1030598489.db2.gz HPROFWFRLDASLJ-MGPUTAFESA-N 1 1 385.420 3.930 20 5 GHBDMO O=[N+]([O-])c1cc(CO[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc([N+](=O)[O-])c1 ZINC001223488630 1030600569 /nfs/dbraw/zinc/60/05/69/1030600569.db2.gz QRVVFDDCNJXTLJ-SFHVURJKSA-N 1 1 389.383 3.823 20 5 GHBDMO COC(=O)c1cccc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001223662181 1030690599 /nfs/dbraw/zinc/69/05/99/1030690599.db2.gz CORIBKYSLSDKQK-UZLBHIALSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1cccc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001223662178 1030690722 /nfs/dbraw/zinc/69/07/22/1030690722.db2.gz CORIBKYSLSDKQK-JXFKEZNVSA-N 1 1 398.459 3.809 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@@H]2CCC[NH2+]C2)c2c(=O)c3cccc(O)c3oc12 ZINC001217966139 1030694038 /nfs/dbraw/zinc/69/40/38/1030694038.db2.gz ZHJBUFCWQZNCSE-CQSZACIVSA-N 1 1 395.455 3.997 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001151210404 1030806610 /nfs/dbraw/zinc/80/66/10/1030806610.db2.gz KDIBYPMJMIPIJL-HOCLYGCPSA-N 1 1 387.867 3.746 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001151210401 1030807016 /nfs/dbraw/zinc/80/70/16/1030807016.db2.gz KDIBYPMJMIPIJL-GDBMZVCRSA-N 1 1 387.867 3.746 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccc2cc[nH]c2n1 ZINC001151599460 1030954543 /nfs/dbraw/zinc/95/45/43/1030954543.db2.gz VJJVWBFLQYDFLS-UHFFFAOYSA-N 1 1 397.438 3.820 20 5 GHBDMO CN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001218662812 1031024051 /nfs/dbraw/zinc/02/40/51/1031024051.db2.gz CNMWIHGOLIGGHQ-QGZVFWFLSA-N 1 1 386.427 3.862 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCO[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC001224778443 1031117045 /nfs/dbraw/zinc/11/70/45/1031117045.db2.gz LOJHRADZJPBICQ-BVYCBKJFSA-N 1 1 382.460 3.901 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224988522 1031201522 /nfs/dbraw/zinc/20/15/22/1031201522.db2.gz DAXZWGWMSQFWHG-UWJYYQICSA-N 1 1 398.459 3.565 20 5 GHBDMO COc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CC(C)(C)O2)c([N+](=O)[O-])c1 ZINC001225771958 1031594775 /nfs/dbraw/zinc/59/47/75/1031594775.db2.gz IKFCEUWNHACZFE-GOSISDBHSA-N 1 1 386.448 3.662 20 5 GHBDMO COc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CC(C)(C)O2)c([N+](=O)[O-])c1 ZINC001225771958 1031594785 /nfs/dbraw/zinc/59/47/85/1031594785.db2.gz IKFCEUWNHACZFE-GOSISDBHSA-N 1 1 386.448 3.662 20 5 GHBDMO Cc1ccc(N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH+]c1 ZINC001225848516 1031650270 /nfs/dbraw/zinc/65/02/70/1031650270.db2.gz ZFJYRPZRZYQWJD-CYBMUJFWSA-N 1 1 382.342 3.760 20 5 GHBDMO O=[N+]([O-])c1cnc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c(C(F)(F)F)c1 ZINC001225893505 1031679782 /nfs/dbraw/zinc/67/97/82/1031679782.db2.gz SQLAHXZKLQAXNK-AWEZNQCLSA-N 1 1 378.310 3.706 20 5 GHBDMO COC(=O)Cc1ccc(O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001226215580 1031856795 /nfs/dbraw/zinc/85/67/95/1031856795.db2.gz ZJUQDFARTSXASZ-KKSFZXQISA-N 1 1 398.459 3.600 20 5 GHBDMO Cc1c(CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001226215744 1031858465 /nfs/dbraw/zinc/85/84/65/1031858465.db2.gz FFFKUERDWPHIEX-DLBZAZTESA-N 1 1 396.491 3.708 20 5 GHBDMO O=[N+]([O-])c1cnc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001226338570 1031921473 /nfs/dbraw/zinc/92/14/73/1031921473.db2.gz AZYMPIJSAFSRJP-OAHLLOKOSA-N 1 1 392.253 3.796 20 5 GHBDMO O=[N+]([O-])c1cnc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001226338570 1031921475 /nfs/dbraw/zinc/92/14/75/1031921475.db2.gz AZYMPIJSAFSRJP-OAHLLOKOSA-N 1 1 392.253 3.796 20 5 GHBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001157017246 1033373251 /nfs/dbraw/zinc/37/32/51/1033373251.db2.gz LHPOPSANCBZIAB-YESZJQIVSA-N 1 1 390.528 3.536 20 5 GHBDMO COc1c(O)ccc(CN[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC001205491912 1033438727 /nfs/dbraw/zinc/43/87/27/1033438727.db2.gz DBWTWKVGXMBGTH-SFHVURJKSA-N 1 1 387.480 3.555 20 5 GHBDMO COc1c(O)ccc(CN[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC001205491912 1033438739 /nfs/dbraw/zinc/43/87/39/1033438739.db2.gz DBWTWKVGXMBGTH-SFHVURJKSA-N 1 1 387.480 3.555 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001229403885 1033462193 /nfs/dbraw/zinc/46/21/93/1033462193.db2.gz RRLPRHQVQZSDSX-INIZCTEOSA-N 1 1 382.395 3.721 20 5 GHBDMO CC(C)OCCOc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229807162 1033731097 /nfs/dbraw/zinc/73/10/97/1033731097.db2.gz FYOBNCXSHLSVLF-UHFFFAOYSA-N 1 1 381.476 3.692 20 5 GHBDMO N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161861 1033944603 /nfs/dbraw/zinc/94/46/03/1033944603.db2.gz ROEIHSBQMLPZSO-UKILVPOCSA-N 1 1 387.527 3.607 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](c3cc(C)c(Cl)cc3O)C2)c1[N+](=O)[O-] ZINC001206761657 1033973983 /nfs/dbraw/zinc/97/39/83/1033973983.db2.gz DNCJATJAZHJDDS-LBPRGKRZSA-N 1 1 392.839 3.966 20 5 GHBDMO C[NH+](C)/C=C/c1cc(NCC[C@@H]2CCc3ccc4c(c32)CCO4)ncc1[N+](=O)[O-] ZINC001159080316 1034416053 /nfs/dbraw/zinc/41/60/53/1034416053.db2.gz JQCCDVCJBNYWTP-KXKDPZRNSA-N 1 1 394.475 3.989 20 5 GHBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001159515444 1034632097 /nfs/dbraw/zinc/63/20/97/1034632097.db2.gz OJUCLLNKGVUQOG-OAHLLOKOSA-N 1 1 385.251 3.558 20 5 GHBDMO Cc1ncc(Br)cc1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001160452880 1034978847 /nfs/dbraw/zinc/97/88/47/1034978847.db2.gz XDTFKGSMEBEGNH-SNAWJCMRSA-N 1 1 392.257 3.600 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@H]3CC[N@@H+](CC4CCCC4)C3)c2c1 ZINC001161186509 1035170512 /nfs/dbraw/zinc/17/05/12/1035170512.db2.gz NGERNKRDSPHRIH-ZDUSSCGKSA-N 1 1 375.860 3.868 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cnc1Cl ZINC001161885489 1035321873 /nfs/dbraw/zinc/32/18/73/1035321873.db2.gz SRYRYWRXXDIXBK-HNNXBMFYSA-N 1 1 396.825 3.947 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cnc1Cl ZINC001161885489 1035321880 /nfs/dbraw/zinc/32/18/80/1035321880.db2.gz SRYRYWRXXDIXBK-HNNXBMFYSA-N 1 1 396.825 3.947 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c1C ZINC001276658027 1035331931 /nfs/dbraw/zinc/33/19/31/1035331931.db2.gz HWYITELIGQKNEK-QUCCMNQESA-N 1 1 379.460 3.558 20 5 GHBDMO COc1ccc(C[C@@H](C)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001246685378 1037547646 /nfs/dbraw/zinc/54/76/46/1037547646.db2.gz OMNDWOYTJFPZBI-OAOOKAIFSA-N 1 1 395.503 3.614 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001247665923 1038302885 /nfs/dbraw/zinc/30/28/85/1038302885.db2.gz LRBCMXAIHFNQAS-LBPRGKRZSA-N 1 1 380.738 3.819 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2c(F)cc(F)cc2[N+](=O)[O-])O1 ZINC001233699681 1039547475 /nfs/dbraw/zinc/54/74/75/1039547475.db2.gz UKSKRRULLIJPFI-MRXNPFEDSA-N 1 1 392.402 3.931 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2c(F)cc(F)cc2[N+](=O)[O-])O1 ZINC001233699681 1039547484 /nfs/dbraw/zinc/54/74/84/1039547484.db2.gz UKSKRRULLIJPFI-MRXNPFEDSA-N 1 1 392.402 3.931 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(OC3CC[NH+](CCF)CC3)cc(C(F)(F)F)c2c1 ZINC001233968797 1039732908 /nfs/dbraw/zinc/73/29/08/1039732908.db2.gz DSIQLLHXMFFPJA-UHFFFAOYSA-N 1 1 387.333 3.975 20 5 GHBDMO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001234409006 1040013004 /nfs/dbraw/zinc/01/30/04/1040013004.db2.gz TXNXLLUARSTUNZ-IBGZPJMESA-N 1 1 398.459 3.744 20 5 GHBDMO O=C(c1ccccc1)[C@@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254483054 1040272132 /nfs/dbraw/zinc/27/21/32/1040272132.db2.gz PNTQFJNHXFTUEZ-GOSISDBHSA-N 1 1 379.460 3.768 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254553123 1040320951 /nfs/dbraw/zinc/32/09/51/1040320951.db2.gz STAXDHOIMNBLNN-WBVHZDCISA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254563974 1040338789 /nfs/dbraw/zinc/33/87/89/1040338789.db2.gz HNSKTYLUTDPXBW-BFYDXBDKSA-N 1 1 377.485 3.761 20 5 GHBDMO COC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC001254567543 1040343422 /nfs/dbraw/zinc/34/34/22/1040343422.db2.gz WNIFDXVIMBIILA-ZMYBRWDISA-N 1 1 386.423 3.554 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001254577883 1040353638 /nfs/dbraw/zinc/35/36/38/1040353638.db2.gz HHRCLWZIAJXCJU-YSFYHYPLSA-N 1 1 377.488 3.847 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H](c2ccccc2)C1 ZINC001254606101 1040378469 /nfs/dbraw/zinc/37/84/69/1040378469.db2.gz DUWGEJSAQVGHGS-QMMLZNLJSA-N 1 1 380.444 3.688 20 5 GHBDMO CC[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001254608661 1040380723 /nfs/dbraw/zinc/38/07/23/1040380723.db2.gz RXXASQUXYGSQQK-RBUKOAKNSA-N 1 1 389.496 3.783 20 5 GHBDMO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001255291917 1040938918 /nfs/dbraw/zinc/93/89/18/1040938918.db2.gz FQAOIZMWBUIPSB-SJORKVTESA-N 1 1 382.464 3.744 20 5 GHBDMO O=[N+]([O-])c1cc(Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)ccc1F ZINC001255426519 1041022896 /nfs/dbraw/zinc/02/28/96/1041022896.db2.gz GIGPWJORUMIQDT-MRXNPFEDSA-N 1 1 382.395 3.697 20 5 GHBDMO O=[N+]([O-])c1cnc(Cl)cc1-c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255463715 1041066776 /nfs/dbraw/zinc/06/67/76/1041066776.db2.gz REMRAPZPUFBPAI-CYBMUJFWSA-N 1 1 385.811 3.683 20 5 GHBDMO C[NH+]1CCN(C(=O)c2ccc(-c3ncnc4cc5ccccc5cc43)cc2)CC1 ZINC001236555953 1041761122 /nfs/dbraw/zinc/76/11/22/1041761122.db2.gz JDEYHHHGTKWPJJ-UHFFFAOYSA-N 1 1 382.467 3.838 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462622999 1070422087 /nfs/dbraw/zinc/42/20/87/1070422087.db2.gz LBYSUEVGNVVJQR-ATRPVMHDSA-N 1 1 375.469 3.843 20 5 GHBDMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C)C1 ZINC001291113127 1043084779 /nfs/dbraw/zinc/08/47/79/1043084779.db2.gz XSAUWGMPHSDENE-IAGOWNOFSA-N 1 1 398.511 3.574 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1Cl ZINC001294799871 1044796833 /nfs/dbraw/zinc/79/68/33/1044796833.db2.gz ABRDNMMDKUWEBZ-HOCLYGCPSA-N 1 1 387.867 3.949 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC001297647222 1045596399 /nfs/dbraw/zinc/59/63/99/1045596399.db2.gz RWNGYLROZLINDZ-SFHVURJKSA-N 1 1 397.406 3.896 20 5 GHBDMO C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCCCC1 ZINC001261364869 1045980869 /nfs/dbraw/zinc/98/08/69/1045980869.db2.gz XZYUXEYWNSXUPA-GFCCVEGCSA-N 1 1 385.258 3.665 20 5 GHBDMO CNc1c(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001303170949 1047301370 /nfs/dbraw/zinc/30/13/70/1047301370.db2.gz BQRDOQSQHQWGOF-SFHVURJKSA-N 1 1 396.491 3.763 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC001287943794 1048953592 /nfs/dbraw/zinc/95/35/92/1048953592.db2.gz XGBVJVRBDVFUTB-HNNXBMFYSA-N 1 1 377.510 3.844 20 5 GHBDMO C[C@@H](CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001306988735 1048994159 /nfs/dbraw/zinc/99/41/59/1048994159.db2.gz GMSAGPHSEBLQLT-INIZCTEOSA-N 1 1 394.475 3.769 20 5 GHBDMO CCCN(CCC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCn1cc[nH+]c1C ZINC001307003152 1049000492 /nfs/dbraw/zinc/00/04/92/1049000492.db2.gz POVJFIPFDYKDGH-UHFFFAOYSA-N 1 1 397.483 3.685 20 5 GHBDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(CC)C2CC2)C1 ZINC001307035513 1049029117 /nfs/dbraw/zinc/02/91/17/1049029117.db2.gz VOXQLAMFVLQQNA-MRXNPFEDSA-N 1 1 398.511 3.574 20 5 GHBDMO CC[N@@H+](CCC1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1)CC(C)C ZINC001307077794 1049057376 /nfs/dbraw/zinc/05/73/76/1049057376.db2.gz WLNMFLYVUZTQSM-UHFFFAOYSA-N 1 1 381.492 3.811 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1OC ZINC001307475034 1049311901 /nfs/dbraw/zinc/31/19/01/1049311901.db2.gz NATGLNJYWUGIFZ-PXBODFTHSA-N 1 1 392.496 3.621 20 5 GHBDMO C[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001289347217 1049433708 /nfs/dbraw/zinc/43/37/08/1049433708.db2.gz HTALRZUKPHFGCU-FZKQIMNGSA-N 1 1 375.856 3.771 20 5 GHBDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307655647 1049480899 /nfs/dbraw/zinc/48/08/99/1049480899.db2.gz OBZJVMLDMZJMOI-QFIPXVFZSA-N 1 1 379.460 3.581 20 5 GHBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001307893046 1049672271 /nfs/dbraw/zinc/67/22/71/1049672271.db2.gz DOUGUJDWLLNLCE-BRWVUGGUSA-N 1 1 398.463 3.986 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001307929913 1049702516 /nfs/dbraw/zinc/70/25/16/1049702516.db2.gz BZXMLPVFBOYPLH-OAQYLSRUSA-N 1 1 383.492 3.946 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC001308032656 1049783432 /nfs/dbraw/zinc/78/34/32/1049783432.db2.gz GPFGOMHFCSYSMJ-IBGZPJMESA-N 1 1 394.475 3.716 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2COc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001308109870 1049855005 /nfs/dbraw/zinc/85/50/05/1049855005.db2.gz CMGRZGRAPBXVMW-INIZCTEOSA-N 1 1 390.411 3.665 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2(C)C)cc1[N+](=O)[O-] ZINC001308824379 1050108976 /nfs/dbraw/zinc/10/89/76/1050108976.db2.gz RTYDDEFTXWWRDM-GOSISDBHSA-N 1 1 398.459 3.915 20 5 GHBDMO CC[N@@H+](CCCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001312964305 1052922234 /nfs/dbraw/zinc/92/22/34/1052922234.db2.gz PEULPTLDXVNAFM-INIZCTEOSA-N 1 1 376.501 4.000 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H](C(N)=O)C1 ZINC001343091091 1053545418 /nfs/dbraw/zinc/54/54/18/1053545418.db2.gz VMEFPKFPCVEJGP-BZNIZROVSA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H](C(N)=O)C1 ZINC001343091091 1053545423 /nfs/dbraw/zinc/54/54/23/1053545423.db2.gz VMEFPKFPCVEJGP-BZNIZROVSA-N 1 1 377.828 3.594 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC001319416686 1055239016 /nfs/dbraw/zinc/23/90/16/1055239016.db2.gz USMPAWDGSJZHOB-OAHLLOKOSA-N 1 1 385.464 3.803 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)c1ccc([S@](C)=O)cc1 ZINC001320530675 1055862589 /nfs/dbraw/zinc/86/25/89/1055862589.db2.gz AZWBRTOROWXTNG-BGJPBQGDSA-N 1 1 397.294 3.946 20 5 GHBDMO CN1CCN(c2ccccc2C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC001320958466 1056033205 /nfs/dbraw/zinc/03/32/05/1056033205.db2.gz JUFDESWYNIUNKH-OAQYLSRUSA-N 1 1 394.519 3.859 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001353992662 1056226554 /nfs/dbraw/zinc/22/65/54/1056226554.db2.gz HOVVJFRELNXJHO-MRXNPFEDSA-N 1 1 399.466 3.967 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)n1 ZINC001321386635 1056242354 /nfs/dbraw/zinc/24/23/54/1056242354.db2.gz INCNUEGZENSDOZ-AWEZNQCLSA-N 1 1 391.269 3.835 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)n1 ZINC001321386635 1056242366 /nfs/dbraw/zinc/24/23/66/1056242366.db2.gz INCNUEGZENSDOZ-AWEZNQCLSA-N 1 1 391.269 3.835 20 5 GHBDMO COC1CC[NH+](C2(CNCc3c(C)ccc([N+](=O)[O-])c3C)CCCC2)CC1 ZINC001200580659 1056387112 /nfs/dbraw/zinc/38/71/12/1056387112.db2.gz IZLFTWTXZGWFTN-UHFFFAOYSA-N 1 1 375.513 3.725 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(F)cc1 ZINC001323001853 1056905646 /nfs/dbraw/zinc/90/56/46/1056905646.db2.gz BBHNFHDKHVDGQX-APWZRJJASA-N 1 1 383.379 3.655 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(F)cc1 ZINC001323001853 1056905649 /nfs/dbraw/zinc/90/56/49/1056905649.db2.gz BBHNFHDKHVDGQX-APWZRJJASA-N 1 1 383.379 3.655 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001354951220 1056993198 /nfs/dbraw/zinc/99/31/98/1056993198.db2.gz FXDOXNPUQXFPHV-UHFFFAOYSA-N 1 1 391.309 3.755 20 5 GHBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001341603920 1060770106 /nfs/dbraw/zinc/77/01/06/1060770106.db2.gz DCPFDTUBFDFDBE-AWEZNQCLSA-N 1 1 391.855 3.808 20 5 GHBDMO C[NH+](C)C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001454581953 1061860548 /nfs/dbraw/zinc/86/05/48/1061860548.db2.gz XHVGPUWDDNCNNX-INIZCTEOSA-N 1 1 398.246 3.640 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001455223706 1062058084 /nfs/dbraw/zinc/05/80/84/1062058084.db2.gz FESQDWSFOUTVMY-UHFFFAOYSA-N 1 1 397.903 3.520 20 5 GHBDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001455461643 1062165562 /nfs/dbraw/zinc/16/55/62/1062165562.db2.gz DWTJYBBREFTESU-FQEVSTJZSA-N 1 1 385.439 3.572 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC001435388498 1062564684 /nfs/dbraw/zinc/56/46/84/1062564684.db2.gz RXQXHXQPZNVCOX-LPHOPBHVSA-N 1 1 381.476 3.995 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001435655773 1062815654 /nfs/dbraw/zinc/81/56/54/1062815654.db2.gz BOENTXLVFQWLSW-ORYQWCPZSA-N 1 1 397.450 3.764 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001435996276 1063076243 /nfs/dbraw/zinc/07/62/43/1063076243.db2.gz PQLAXPQRBBVUJW-NRFANRHFSA-N 1 1 381.476 3.852 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001348442309 1063078718 /nfs/dbraw/zinc/07/87/18/1063078718.db2.gz MIPUVKOGSOHTPD-FCHUYYIVSA-N 1 1 393.487 3.741 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001457999784 1063498132 /nfs/dbraw/zinc/49/81/32/1063498132.db2.gz KEVVXELHCPAXKG-JKSUJKDBSA-N 1 1 385.439 3.777 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001457999784 1063498150 /nfs/dbraw/zinc/49/81/50/1063498150.db2.gz KEVVXELHCPAXKG-JKSUJKDBSA-N 1 1 385.439 3.777 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001458009163 1063503111 /nfs/dbraw/zinc/50/31/11/1063503111.db2.gz WTIZDHQJDPQPPE-DLBZAZTESA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001458009163 1063503126 /nfs/dbraw/zinc/50/31/26/1063503126.db2.gz WTIZDHQJDPQPPE-DLBZAZTESA-N 1 1 381.476 3.947 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(C)c3)CC2)cc1C ZINC001458061446 1063538872 /nfs/dbraw/zinc/53/88/72/1063538872.db2.gz MMLBPLKWIXOHML-UHFFFAOYSA-N 1 1 397.475 3.711 20 5 GHBDMO Cn1c2ccccc2c(NC[C@H]2CCC[N@H+]2CC2CCCCC2)c([N+](=O)[O-])c1=O ZINC001458171804 1063626741 /nfs/dbraw/zinc/62/67/41/1063626741.db2.gz ZMUXUNZGZWKDLE-QGZVFWFLSA-N 1 1 398.507 3.903 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)o1 ZINC001459736193 1064192792 /nfs/dbraw/zinc/19/27/92/1064192792.db2.gz NGFOJOJBKJYYSY-GOSISDBHSA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)o1 ZINC001459736193 1064192794 /nfs/dbraw/zinc/19/27/94/1064192794.db2.gz NGFOJOJBKJYYSY-GOSISDBHSA-N 1 1 394.431 3.517 20 5 GHBDMO CCOc1cc(N2CC[NH+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC001460046985 1064373198 /nfs/dbraw/zinc/37/31/98/1064373198.db2.gz SXVOUHROLVIWDV-UYAOXDASSA-N 1 1 385.439 3.811 20 5 GHBDMO CC(C)Oc1cc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001352078317 1064814167 /nfs/dbraw/zinc/81/41/67/1064814167.db2.gz CDSJEEDYPWWPPB-MRXNPFEDSA-N 1 1 397.475 3.559 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001464427002 1065001222 /nfs/dbraw/zinc/00/12/22/1065001222.db2.gz JFERPRVFZXGDIM-XQQFMLRXSA-N 1 1 387.402 3.710 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001465186347 1065447368 /nfs/dbraw/zinc/44/73/68/1065447368.db2.gz CZRGSUBMZMUVDH-FQEVSTJZSA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C2)cc1 ZINC001465544631 1065703582 /nfs/dbraw/zinc/70/35/82/1065703582.db2.gz DKGSPGMDBJCYOT-INIZCTEOSA-N 1 1 388.855 3.953 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001466375977 1066122151 /nfs/dbraw/zinc/12/21/51/1066122151.db2.gz FPPXTVSLFSBCBD-QGZVFWFLSA-N 1 1 390.484 3.912 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC001467502296 1067331671 /nfs/dbraw/zinc/33/16/71/1067331671.db2.gz MQBNYXRNQAECLR-MRXNPFEDSA-N 1 1 391.830 3.736 20 5 GHBDMO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC001469608476 1068255188 /nfs/dbraw/zinc/25/51/88/1068255188.db2.gz YQJUWOCKZFEBAB-DTORHVGOSA-N 1 1 378.231 3.595 20 5 GHBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC001469608476 1068255198 /nfs/dbraw/zinc/25/51/98/1068255198.db2.gz YQJUWOCKZFEBAB-DTORHVGOSA-N 1 1 378.231 3.595 20 5 GHBDMO CCOc1cc(C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001460255898 1068887572 /nfs/dbraw/zinc/88/75/72/1068887572.db2.gz WSDYPZKUVZLQKL-UHFFFAOYSA-N 1 1 381.473 3.682 20 5 GHBDMO Cc1c2cccc(C)c2oc1C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001460334085 1068930330 /nfs/dbraw/zinc/93/03/30/1068930330.db2.gz JDZIQHRLZTUFTL-UHFFFAOYSA-N 1 1 393.443 3.979 20 5 GHBDMO Cc1c2cccc(C)c2oc1C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001460334085 1068930332 /nfs/dbraw/zinc/93/03/32/1068930332.db2.gz JDZIQHRLZTUFTL-UHFFFAOYSA-N 1 1 393.443 3.979 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001460551452 1068993877 /nfs/dbraw/zinc/99/38/77/1068993877.db2.gz AZEGWZXIFJCRTI-BGYRXZFFSA-N 1 1 393.459 3.813 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001460551452 1068993880 /nfs/dbraw/zinc/99/38/80/1068993880.db2.gz AZEGWZXIFJCRTI-BGYRXZFFSA-N 1 1 393.459 3.813 20 5 GHBDMO O=C(C[N@H+]1CCCC[C@H](C2CCOCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460689333 1069088099 /nfs/dbraw/zinc/08/80/99/1069088099.db2.gz HWEVAGFSDQNEQX-HNNXBMFYSA-N 1 1 395.887 3.715 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001460857424 1069227793 /nfs/dbraw/zinc/22/77/93/1069227793.db2.gz DGODEAAKZDJCOG-GFKBIBDCSA-N 1 1 375.856 3.719 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001460857424 1069227803 /nfs/dbraw/zinc/22/78/03/1069227803.db2.gz DGODEAAKZDJCOG-GFKBIBDCSA-N 1 1 375.856 3.719 20 5 GHBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001471062665 1072909921 /nfs/dbraw/zinc/90/99/21/1072909921.db2.gz CUKUHTQIPNTBLI-LJQANCHMSA-N 1 1 399.466 3.837 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(Nc3cccc(C[NH+]4CCOCC4)c3)c2c1 ZINC001472676439 1073610668 /nfs/dbraw/zinc/61/06/68/1073610668.db2.gz IWTKHZLVCWYSHM-UHFFFAOYSA-N 1 1 399.838 3.767 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc(OC)c1 ZINC001472723425 1073637436 /nfs/dbraw/zinc/63/74/36/1073637436.db2.gz GHNQHUXQBYLUFL-CQSZACIVSA-N 1 1 391.855 3.952 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc(OC)c1 ZINC001472723425 1073637437 /nfs/dbraw/zinc/63/74/37/1073637437.db2.gz GHNQHUXQBYLUFL-CQSZACIVSA-N 1 1 391.855 3.952 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC001472735749 1073643385 /nfs/dbraw/zinc/64/33/85/1073643385.db2.gz QYZSOZRCQLFTCY-YJBOKZPZSA-N 1 1 387.480 3.533 20 5 GHBDMO CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC[N@H+]1Cc1ccccc1 ZINC001472754215 1073650714 /nfs/dbraw/zinc/65/07/14/1073650714.db2.gz ZSPRGIFDPLCDTB-SFHVURJKSA-N 1 1 397.475 3.791 20 5 GHBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001472754127 1073650857 /nfs/dbraw/zinc/65/08/57/1073650857.db2.gz QPRYAYYFUUEAMV-CABCVRRESA-N 1 1 386.496 3.552 20 5 GHBDMO CC(=O)c1ccc(NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)c([N+](=O)[O-])c1 ZINC001472831004 1073685355 /nfs/dbraw/zinc/68/53/55/1073685355.db2.gz APQUXIKKVYXMNJ-UHFFFAOYSA-N 1 1 394.475 3.564 20 5 GHBDMO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc(Cl)ccc1F ZINC001473310347 1073916109 /nfs/dbraw/zinc/91/61/09/1073916109.db2.gz ZVNRTDBSPLDTKN-LLVKDONJSA-N 1 1 377.803 3.627 20 5 GHBDMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001473381270 1073941995 /nfs/dbraw/zinc/94/19/95/1073941995.db2.gz MBWFPVVWQXEXEJ-QFIPXVFZSA-N 1 1 398.459 3.614 20 5 GHBDMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001473381270 1073941997 /nfs/dbraw/zinc/94/19/97/1073941997.db2.gz MBWFPVVWQXEXEJ-QFIPXVFZSA-N 1 1 398.459 3.614 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001473721308 1074107294 /nfs/dbraw/zinc/10/72/94/1074107294.db2.gz OGZKGMGSJRBVEZ-OAHLLOKOSA-N 1 1 393.447 3.679 20 5 GHBDMO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001473762756 1074128719 /nfs/dbraw/zinc/12/87/19/1074128719.db2.gz VFIVZXHBWIYEMY-FQEVSTJZSA-N 1 1 398.463 3.990 20 5 GHBDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473772243 1074135065 /nfs/dbraw/zinc/13/50/65/1074135065.db2.gz YMMOZAANTXSUNW-NHCUHLMSSA-N 1 1 387.455 3.536 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](CCc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC001473821782 1074161086 /nfs/dbraw/zinc/16/10/86/1074161086.db2.gz QPJQBNYXVQPQBD-UHFFFAOYSA-N 1 1 383.448 3.639 20 5 GHBDMO CC(C)(C)OC(=O)NCC1(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC001474319498 1074340587 /nfs/dbraw/zinc/34/05/87/1074340587.db2.gz QDPXKRRZPVJCNX-UHFFFAOYSA-N 1 1 375.469 3.864 20 5 GHBDMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000072012214 209218044 /nfs/dbraw/zinc/21/80/44/209218044.db2.gz XLBPFNGWZFOOKN-UHFFFAOYSA-N 1 1 397.353 3.601 20 5 GHBDMO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000735874936 599172612 /nfs/dbraw/zinc/17/26/12/599172612.db2.gz WOSOWMHICVOSPO-UHFFFAOYSA-N 1 1 386.843 3.839 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000735874936 599172615 /nfs/dbraw/zinc/17/26/15/599172615.db2.gz WOSOWMHICVOSPO-UHFFFAOYSA-N 1 1 386.843 3.839 20 5 GHBDMO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000820122041 606110429 /nfs/dbraw/zinc/11/04/29/606110429.db2.gz XYXWVAOOXAITTO-UHFFFAOYSA-N 1 1 386.843 3.839 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000820122041 606110431 /nfs/dbraw/zinc/11/04/31/606110431.db2.gz XYXWVAOOXAITTO-UHFFFAOYSA-N 1 1 386.843 3.839 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164619742 719074308 /nfs/dbraw/zinc/07/43/08/719074308.db2.gz CLRIGPYRUXAKGO-LAUBAEHRSA-N 1 1 389.459 3.639 20 5 GHBDMO Cc1ccnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164792539 721491793 /nfs/dbraw/zinc/49/17/93/721491793.db2.gz KOKBBWKLHBTAAD-UHFFFAOYSA-N 1 1 381.480 3.574 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001267591161 837501675 /nfs/dbraw/zinc/50/16/75/837501675.db2.gz MCTNGJPOZVMRRN-APWZRJJASA-N 1 1 397.475 3.632 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000584442707 834623554 /nfs/dbraw/zinc/62/35/54/834623554.db2.gz DIYNJRKBKKQIJQ-AEFFLSMTSA-N 1 1 397.475 3.885 20 5 GHBDMO COc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000157500036 834659980 /nfs/dbraw/zinc/65/99/80/834659980.db2.gz FHZMUUSBLYQHRS-INIZCTEOSA-N 1 1 389.496 3.720 20 5 GHBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000128213196 834675840 /nfs/dbraw/zinc/67/58/40/834675840.db2.gz VOKZLARUXWXEPT-IBGZPJMESA-N 1 1 395.415 3.729 20 5 GHBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000128213196 834675845 /nfs/dbraw/zinc/67/58/45/834675845.db2.gz VOKZLARUXWXEPT-IBGZPJMESA-N 1 1 395.415 3.729 20 5 GHBDMO Cc1ccc([C@H](CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000176795065 835068047 /nfs/dbraw/zinc/06/80/47/835068047.db2.gz RRSHOVZRGSGIQT-INIZCTEOSA-N 1 1 375.400 3.511 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)cn1 ZINC000052610607 835100542 /nfs/dbraw/zinc/10/05/42/835100542.db2.gz NQUKCVZAQHKTTA-UHFFFAOYSA-N 1 1 383.839 3.514 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](COC)Cc1ccccc1 ZINC000472339404 835128884 /nfs/dbraw/zinc/12/88/84/835128884.db2.gz CITGKYQMGWZWLV-LJQANCHMSA-N 1 1 396.447 3.724 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472344705 835198067 /nfs/dbraw/zinc/19/80/67/835198067.db2.gz URIKWCNCYJLJEI-WMZOPIPTSA-N 1 1 397.475 3.885 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000157589386 835251866 /nfs/dbraw/zinc/25/18/66/835251866.db2.gz YAQCTZPFFRXJKM-UHFFFAOYSA-N 1 1 389.411 3.716 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136185176 835319112 /nfs/dbraw/zinc/31/91/12/835319112.db2.gz YWWMGUHBURZYBX-YJBOKZPZSA-N 1 1 382.464 3.996 20 5 GHBDMO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000015443714 844046504 /nfs/dbraw/zinc/04/65/04/844046504.db2.gz BXQWUFQRQAMYNJ-UHFFFAOYSA-N 1 1 381.354 3.863 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000015443714 844046509 /nfs/dbraw/zinc/04/65/09/844046509.db2.gz BXQWUFQRQAMYNJ-UHFFFAOYSA-N 1 1 381.354 3.863 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533399168 835424834 /nfs/dbraw/zinc/42/48/34/835424834.db2.gz LYMBZSZFLJBOLQ-MRXNPFEDSA-N 1 1 397.431 3.532 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H](c2ccccc2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533399168 835424836 /nfs/dbraw/zinc/42/48/36/835424836.db2.gz LYMBZSZFLJBOLQ-MRXNPFEDSA-N 1 1 397.431 3.532 20 5 GHBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000179341775 835536692 /nfs/dbraw/zinc/53/66/92/835536692.db2.gz FTSPDXIWUNBFPW-QGZVFWFLSA-N 1 1 383.448 3.593 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000612131572 835581284 /nfs/dbraw/zinc/58/12/84/835581284.db2.gz FDQMDMLQPVBYTD-LKUPVBHCSA-N 1 1 397.450 3.764 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612132292 835588051 /nfs/dbraw/zinc/58/80/51/835588051.db2.gz JINCRDPJCDFVSU-HLAWJBBLSA-N 1 1 393.487 3.934 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177058464 835679679 /nfs/dbraw/zinc/67/96/79/835679679.db2.gz SJXLXQVOMKCCSJ-UONOGXRCSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177058464 835679680 /nfs/dbraw/zinc/67/96/80/835679680.db2.gz SJXLXQVOMKCCSJ-UONOGXRCSA-N 1 1 381.448 3.859 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1[N+](=O)[O-] ZINC000179419703 835693576 /nfs/dbraw/zinc/69/35/76/835693576.db2.gz MOIDQCYIDUKBBM-GFCCVEGCSA-N 1 1 375.381 3.761 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000102691894 835762894 /nfs/dbraw/zinc/76/28/94/835762894.db2.gz RLMPMPRXBYVDFM-CQSZACIVSA-N 1 1 387.436 3.600 20 5 GHBDMO CCN1CCC[C@@H](C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714395 836031953 /nfs/dbraw/zinc/03/19/53/836031953.db2.gz RENXJGNRIOIHHJ-PLMTUMEDSA-N 1 1 385.512 3.794 20 5 GHBDMO CC[N@@H+]1CCC[C@@H](CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714395 836031963 /nfs/dbraw/zinc/03/19/63/836031963.db2.gz RENXJGNRIOIHHJ-PLMTUMEDSA-N 1 1 385.512 3.794 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714395 836031972 /nfs/dbraw/zinc/03/19/72/836031972.db2.gz RENXJGNRIOIHHJ-PLMTUMEDSA-N 1 1 385.512 3.794 20 5 GHBDMO COc1cc(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)c([N+](=O)[O-])cc1F ZINC000278790804 836043677 /nfs/dbraw/zinc/04/36/77/836043677.db2.gz DWOTWBOSQYGLBJ-UHFFFAOYSA-N 1 1 388.443 3.655 20 5 GHBDMO CC1CCN(C[C@@H](O)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000236623256 836292414 /nfs/dbraw/zinc/29/24/14/836292414.db2.gz MXNOLFFWQXFXTE-SFHVURJKSA-N 1 1 389.521 3.506 20 5 GHBDMO C[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000582460803 836297837 /nfs/dbraw/zinc/29/78/37/836297837.db2.gz HQQQHTXTPGJFEB-LAUBAEHRSA-N 1 1 381.476 3.821 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2sccc2CC1(C)C ZINC000411815021 836367089 /nfs/dbraw/zinc/36/70/89/836367089.db2.gz IOTONFKOXNCRIA-UHFFFAOYSA-N 1 1 389.477 3.830 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180185786 836607183 /nfs/dbraw/zinc/60/71/83/836607183.db2.gz FKFVDUWTXINRBG-GDIGMMSISA-N 1 1 385.489 3.637 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000175787221 836707673 /nfs/dbraw/zinc/70/76/73/836707673.db2.gz KUFJPLGIMOJQBD-INIZCTEOSA-N 1 1 387.867 3.842 20 5 GHBDMO CC(C)(NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431678840 836718875 /nfs/dbraw/zinc/71/88/75/836718875.db2.gz MYEACJCPZQJGAO-LJQANCHMSA-N 1 1 396.491 3.794 20 5 GHBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000170912666 836934836 /nfs/dbraw/zinc/93/48/36/836934836.db2.gz CYEPYSUALARTGO-JLSDUUJJSA-N 1 1 399.447 3.598 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000180459626 837282777 /nfs/dbraw/zinc/28/27/77/837282777.db2.gz YAXHSUIFKCXUJE-UHFFFAOYSA-N 1 1 394.431 3.922 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000180459626 837282786 /nfs/dbraw/zinc/28/27/86/837282786.db2.gz YAXHSUIFKCXUJE-UHFFFAOYSA-N 1 1 394.431 3.922 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1Cc1ccccc1 ZINC000177475708 837976213 /nfs/dbraw/zinc/97/62/13/837976213.db2.gz GFDWPIDROQFEKY-WBVHZDCISA-N 1 1 392.459 3.859 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275612590 838011166 /nfs/dbraw/zinc/01/11/66/838011166.db2.gz HGMNMISEFKQEST-WLRWDXFRSA-N 1 1 397.425 3.584 20 5 GHBDMO CCCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000549342298 838017672 /nfs/dbraw/zinc/01/76/72/838017672.db2.gz HWNVRAHDFUUIKO-UHFFFAOYSA-N 1 1 387.402 3.742 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000610297642 838227338 /nfs/dbraw/zinc/22/73/38/838227338.db2.gz OJVXTMPBKNYEJV-VQIMIIECSA-N 1 1 399.516 3.808 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000118851643 838261616 /nfs/dbraw/zinc/26/16/16/838261616.db2.gz SSOFQRJTTONUSF-UHFFFAOYSA-N 1 1 389.496 3.607 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103231892 838369493 /nfs/dbraw/zinc/36/94/93/838369493.db2.gz WWAUCRCADIUHMS-SFHVURJKSA-N 1 1 382.464 3.589 20 5 GHBDMO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000103232853 838369660 /nfs/dbraw/zinc/36/96/60/838369660.db2.gz YSPKYHGCCOSEIG-SFHVURJKSA-N 1 1 382.464 3.589 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000103231872 838369682 /nfs/dbraw/zinc/36/96/82/838369682.db2.gz CBSSVLXVTPJNEZ-SFHVURJKSA-N 1 1 382.464 3.589 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](C2CC2)C1)Nc1cc(N2CC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000535727173 844352569 /nfs/dbraw/zinc/35/25/69/844352569.db2.gz SDKJMNHHDULDSF-ZWKOTPCHSA-N 1 1 398.507 3.502 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001167367477 839046513 /nfs/dbraw/zinc/04/65/13/839046513.db2.gz KKDBONGNOKOYML-IRLDBZIGSA-N 1 1 379.460 3.754 20 5 GHBDMO COc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415052536 839121584 /nfs/dbraw/zinc/12/15/84/839121584.db2.gz IHGZXHMRWMSUJQ-OPAMFIHVSA-N 1 1 399.491 3.599 20 5 GHBDMO COc1ccc(-c2ccc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000415053488 839122493 /nfs/dbraw/zinc/12/24/93/839122493.db2.gz ORJXFDCKVNTSMH-HNAYVOBHSA-N 1 1 385.464 3.827 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549169708 839132074 /nfs/dbraw/zinc/13/20/74/839132074.db2.gz ATAFABPGAZYLSR-LBPRGKRZSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549169708 839132078 /nfs/dbraw/zinc/13/20/78/839132078.db2.gz ATAFABPGAZYLSR-LBPRGKRZSA-N 1 1 379.819 3.889 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000025396203 844410530 /nfs/dbraw/zinc/41/05/30/844410530.db2.gz QSLLHPQGEYGJTQ-LBPRGKRZSA-N 1 1 377.828 3.936 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)n2)cc1 ZINC000378511252 839257289 /nfs/dbraw/zinc/25/72/89/839257289.db2.gz JNPGCFNAFCUEKK-VQIMIIECSA-N 1 1 380.404 3.512 20 5 GHBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261680573 839553020 /nfs/dbraw/zinc/55/30/20/839553020.db2.gz BVBJIDDMWDQDTL-QGZVFWFLSA-N 1 1 391.880 3.513 20 5 GHBDMO Cc1ccccc1OCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000015099741 840177960 /nfs/dbraw/zinc/17/79/60/840177960.db2.gz RQIXLQNVNMCSJL-CQSZACIVSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1ccccc1OCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000015099741 840177964 /nfs/dbraw/zinc/17/79/64/840177964.db2.gz RQIXLQNVNMCSJL-CQSZACIVSA-N 1 1 391.855 3.894 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511784988 840751226 /nfs/dbraw/zinc/75/12/26/840751226.db2.gz JAXAETDZUSBHOS-HXUWFJFHSA-N 1 1 397.475 3.634 20 5 GHBDMO Cc1c(CC(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000124388202 840943318 /nfs/dbraw/zinc/94/33/18/840943318.db2.gz VKCNUBFOKIUCBS-HOTGVXAUSA-N 1 1 397.475 3.694 20 5 GHBDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000106877722 841127038 /nfs/dbraw/zinc/12/70/38/841127038.db2.gz ODQQKTRGWPQTIY-ZDUSSCGKSA-N 1 1 376.482 3.998 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000500213155 841657211 /nfs/dbraw/zinc/65/72/11/841657211.db2.gz JLLUEUIWHMNPJN-NRFANRHFSA-N 1 1 383.448 3.596 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000500213155 841657219 /nfs/dbraw/zinc/65/72/19/841657219.db2.gz JLLUEUIWHMNPJN-NRFANRHFSA-N 1 1 383.448 3.596 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000500248894 841729154 /nfs/dbraw/zinc/72/91/54/841729154.db2.gz DAJJZADOUVAIDP-GOSISDBHSA-N 1 1 397.475 3.948 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133266 841853322 /nfs/dbraw/zinc/85/33/22/841853322.db2.gz PSBWARHDUJUQDL-XMSQKQJNSA-N 1 1 397.475 3.941 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000603834215 861248022 /nfs/dbraw/zinc/24/80/22/861248022.db2.gz LUMACNWJKSLTDP-CZUORRHYSA-N 1 1 394.435 3.684 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000603834215 861248032 /nfs/dbraw/zinc/24/80/32/861248032.db2.gz LUMACNWJKSLTDP-CZUORRHYSA-N 1 1 394.435 3.684 20 5 GHBDMO C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000127315471 842252636 /nfs/dbraw/zinc/25/26/36/842252636.db2.gz XFTDQYZUBFXUTQ-JKSUJKDBSA-N 1 1 388.537 3.610 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000147062366 842312945 /nfs/dbraw/zinc/31/29/45/842312945.db2.gz QWLAFSCMIYLWIJ-INIZCTEOSA-N 1 1 397.475 3.765 20 5 GHBDMO COc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c(Br)c1 ZINC000512087065 842453707 /nfs/dbraw/zinc/45/37/07/842453707.db2.gz HSSOQLJFZHSVOP-UHFFFAOYSA-N 1 1 381.226 3.664 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+]([C@H]3CCCOC3)CC2)s1 ZINC000610559963 842638456 /nfs/dbraw/zinc/63/84/56/842638456.db2.gz CLYSANIWWATGEH-INIZCTEOSA-N 1 1 387.505 3.620 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN([C@H]3CCCOC3)CC2)s1 ZINC000610559963 842638467 /nfs/dbraw/zinc/63/84/67/842638467.db2.gz CLYSANIWWATGEH-INIZCTEOSA-N 1 1 387.505 3.620 20 5 GHBDMO CC(C)Oc1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600228739 861350961 /nfs/dbraw/zinc/35/09/61/861350961.db2.gz FMLYMDKRSOVCRT-KRWDZBQOSA-N 1 1 375.469 3.519 20 5 GHBDMO C[N@H+](C[C@@H]1OCCc2ccccc21)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900170 842881233 /nfs/dbraw/zinc/88/12/33/842881233.db2.gz DTSWJZBLEGZORL-NRFANRHFSA-N 1 1 378.432 3.662 20 5 GHBDMO C[N@@H+](C[C@@H]1OCCc2ccccc21)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900170 842881243 /nfs/dbraw/zinc/88/12/43/842881243.db2.gz DTSWJZBLEGZORL-NRFANRHFSA-N 1 1 378.432 3.662 20 5 GHBDMO CCOc1cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000599579809 861359599 /nfs/dbraw/zinc/35/95/99/861359599.db2.gz CUGWWTJMXVLSOK-GDBMZVCRSA-N 1 1 378.469 3.793 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000599579809 861359615 /nfs/dbraw/zinc/35/96/15/861359615.db2.gz CUGWWTJMXVLSOK-GDBMZVCRSA-N 1 1 378.469 3.793 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000190309648 842935241 /nfs/dbraw/zinc/93/52/41/842935241.db2.gz OUUQGIAFGBMDBJ-UHFFFAOYSA-N 1 1 386.399 3.782 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCSC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000430769556 842959538 /nfs/dbraw/zinc/95/95/38/842959538.db2.gz WFEVCHHWHOCBNF-CQSZACIVSA-N 1 1 393.509 3.682 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCSC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000430769556 842959545 /nfs/dbraw/zinc/95/95/45/842959545.db2.gz WFEVCHHWHOCBNF-CQSZACIVSA-N 1 1 393.509 3.682 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000510593553 843000772 /nfs/dbraw/zinc/00/07/72/843000772.db2.gz VQRYAAZIGBHZQA-HXUWFJFHSA-N 1 1 381.476 3.698 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000510593553 843000782 /nfs/dbraw/zinc/00/07/82/843000782.db2.gz VQRYAAZIGBHZQA-HXUWFJFHSA-N 1 1 381.476 3.698 20 5 GHBDMO COc1cccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]2CCCO2)c1 ZINC000610581006 843083647 /nfs/dbraw/zinc/08/36/47/843083647.db2.gz WQGSUIRIZQHPQL-GOSISDBHSA-N 1 1 397.431 3.926 20 5 GHBDMO COc1cccc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]2CCCO2)c1 ZINC000610581006 843083660 /nfs/dbraw/zinc/08/36/60/843083660.db2.gz WQGSUIRIZQHPQL-GOSISDBHSA-N 1 1 397.431 3.926 20 5 GHBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cc3ccccc3c3cccnc23)CCCO1 ZINC000432554205 843124553 /nfs/dbraw/zinc/12/45/53/843124553.db2.gz CHWIAOUJEXBTHU-KRWDZBQOSA-N 1 1 377.488 3.619 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000510666581 843154543 /nfs/dbraw/zinc/15/45/43/843154543.db2.gz LYHCKNLQLJRBOI-OAQYLSRUSA-N 1 1 397.475 3.604 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000603919631 861401726 /nfs/dbraw/zinc/40/17/26/861401726.db2.gz STUKJJWGQCTTBR-QZTJIDSGSA-N 1 1 380.448 3.695 20 5 GHBDMO COc1cc(C[NH2+]Cc2scnc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000105494246 843648111 /nfs/dbraw/zinc/64/81/11/843648111.db2.gz RSARMHRCMGUFPQ-UHFFFAOYSA-N 1 1 391.371 3.599 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000510890432 843737808 /nfs/dbraw/zinc/73/78/08/843737808.db2.gz QXYCJIZIEBKDPX-LLVKDONJSA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000510890432 843737815 /nfs/dbraw/zinc/73/78/15/843737815.db2.gz QXYCJIZIEBKDPX-LLVKDONJSA-N 1 1 393.793 3.529 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)NCc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000509760611 843945606 /nfs/dbraw/zinc/94/56/06/843945606.db2.gz GOGAOAYBVGQEBF-IEBWSBKVSA-N 1 1 396.491 3.695 20 5 GHBDMO COc1cc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000512481035 843967248 /nfs/dbraw/zinc/96/72/48/843967248.db2.gz RPHMZBRRUQOFAC-OCCSQVGLSA-N 1 1 388.411 3.720 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000473516422 844636329 /nfs/dbraw/zinc/63/63/29/844636329.db2.gz BOMWBALWUDUOHS-CALCHBBNSA-N 1 1 398.507 3.859 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000119422800 844659136 /nfs/dbraw/zinc/65/91/36/844659136.db2.gz ORPOKXOCPZHEMQ-LBPRGKRZSA-N 1 1 396.390 3.973 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000729047795 844698842 /nfs/dbraw/zinc/69/88/42/844698842.db2.gz XJYSISOQQMWTHK-IRXDYDNUSA-N 1 1 376.501 3.635 20 5 GHBDMO COC[C@H](C)[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599683284 861521645 /nfs/dbraw/zinc/52/16/45/861521645.db2.gz QLDXEELFASYQQH-QFBILLFUSA-N 1 1 397.475 3.866 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000458333353 845038744 /nfs/dbraw/zinc/03/87/44/845038744.db2.gz OTDFBJDRMBAKSW-PKOBYXMFSA-N 1 1 388.512 3.604 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC=C(c4ccncc4)C3)o2)c1 ZINC000513215684 845060860 /nfs/dbraw/zinc/06/08/60/845060860.db2.gz PSHXJMTUODNUDO-UHFFFAOYSA-N 1 1 376.416 3.977 20 5 GHBDMO CCc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000433043893 845069498 /nfs/dbraw/zinc/06/94/98/845069498.db2.gz HECOQDWKKUJERI-KRWDZBQOSA-N 1 1 383.448 3.594 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000433043893 845069506 /nfs/dbraw/zinc/06/95/06/845069506.db2.gz HECOQDWKKUJERI-KRWDZBQOSA-N 1 1 383.448 3.594 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(Sc4ccccn4)o3)CC2)n1 ZINC000513292432 845192478 /nfs/dbraw/zinc/19/24/78/845192478.db2.gz RIADAHUZPLUMQH-UHFFFAOYSA-N 1 1 385.449 3.768 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000433763945 845326038 /nfs/dbraw/zinc/32/60/38/845326038.db2.gz CJUYCLWSENDYAC-JXFKEZNVSA-N 1 1 377.448 3.667 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538422712 845429062 /nfs/dbraw/zinc/42/90/62/845429062.db2.gz UWLXNBZBVVHBJJ-CJNGLKHVSA-N 1 1 383.832 3.510 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCCN2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000604013607 861576467 /nfs/dbraw/zinc/57/64/67/861576467.db2.gz VHAGQPDVGKKFEL-UHFFFAOYSA-N 1 1 375.513 3.952 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000513513885 845586302 /nfs/dbraw/zinc/58/63/02/845586302.db2.gz HQOFCINHUKLPIW-NRFANRHFSA-N 1 1 380.448 3.725 20 5 GHBDMO C[C@@H](C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000182929780 845647314 /nfs/dbraw/zinc/64/73/14/845647314.db2.gz UGIJRSXCHYSMEV-RHSMWYFYSA-N 1 1 383.423 3.849 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000513671300 846217745 /nfs/dbraw/zinc/21/77/45/846217745.db2.gz BTKRTNRYXDZDQC-NRFANRHFSA-N 1 1 387.443 3.798 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501026380 846561658 /nfs/dbraw/zinc/56/16/58/846561658.db2.gz SDFXAZRRNVUMHL-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501026380 846561664 /nfs/dbraw/zinc/56/16/64/846561664.db2.gz SDFXAZRRNVUMHL-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO CCOc1ncccc1C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000237013716 846566667 /nfs/dbraw/zinc/56/66/67/846566667.db2.gz RUUDTFGMFBHGOY-UHFFFAOYSA-N 1 1 383.404 3.947 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)ccc1[N+](=O)[O-] ZINC000501521263 846980949 /nfs/dbraw/zinc/98/09/49/846980949.db2.gz GOMWLJCEAUBGJH-CQSZACIVSA-N 1 1 393.237 3.979 20 5 GHBDMO CCCNC(=O)C1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000120084832 846981295 /nfs/dbraw/zinc/98/12/95/846981295.db2.gz TTXJGVJIBQLSEM-UHFFFAOYSA-N 1 1 386.452 3.569 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183363904 847336715 /nfs/dbraw/zinc/33/67/15/847336715.db2.gz HIZBGAVJITXZRZ-UGSOOPFHSA-N 1 1 398.394 3.998 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183363904 847336727 /nfs/dbraw/zinc/33/67/27/847336727.db2.gz HIZBGAVJITXZRZ-UGSOOPFHSA-N 1 1 398.394 3.998 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](OC)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509151854 861803396 /nfs/dbraw/zinc/80/33/96/861803396.db2.gz LLPUJOVERNKGBY-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H](OC)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509151854 861803417 /nfs/dbraw/zinc/80/34/17/861803417.db2.gz LLPUJOVERNKGBY-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000421054893 847647483 /nfs/dbraw/zinc/64/74/83/847647483.db2.gz IVYITRYECUTCNK-QGZVFWFLSA-N 1 1 384.436 3.945 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000050628978 847943032 /nfs/dbraw/zinc/94/30/32/847943032.db2.gz KSAKCPHNQKNDQK-CQSZACIVSA-N 1 1 388.493 3.569 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000479972896 847996999 /nfs/dbraw/zinc/99/69/99/847996999.db2.gz WYIAKSFXOXAHCG-GOSISDBHSA-N 1 1 397.475 3.948 20 5 GHBDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611712938 848270314 /nfs/dbraw/zinc/27/03/14/848270314.db2.gz SXLWDZPCERZHFD-AWEZNQCLSA-N 1 1 381.411 3.560 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000277951250 848614334 /nfs/dbraw/zinc/61/43/34/848614334.db2.gz JSZAATXBIQGLIG-UHFFFAOYSA-N 1 1 384.436 3.990 20 5 GHBDMO C[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000162478273 849084710 /nfs/dbraw/zinc/08/47/10/849084710.db2.gz XVOXEHPAUQFRCZ-INIZCTEOSA-N 1 1 388.537 3.611 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000132247126 861983708 /nfs/dbraw/zinc/98/37/08/861983708.db2.gz GQTKRVVUWNTBTN-NRFANRHFSA-N 1 1 375.428 3.556 20 5 GHBDMO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000029615731 862013877 /nfs/dbraw/zinc/01/38/77/862013877.db2.gz XGZSGCHBPHLJJE-KBPBESRZSA-N 1 1 387.436 3.598 20 5 GHBDMO COC(=O)/C=C/c1ccc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000732048991 862059622 /nfs/dbraw/zinc/05/96/22/862059622.db2.gz GFHMUAWUGOTSOV-TYZQSYOASA-N 1 1 383.448 3.713 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC=C(c4c[nH]c5ncccc45)CC3)nc2c1 ZINC000434835988 849817040 /nfs/dbraw/zinc/81/70/40/849817040.db2.gz IUBZCAOXGHYSJX-UHFFFAOYSA-N 1 1 375.388 3.902 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC=C(c4c[nH]c5ncccc45)CC3)nc2c1 ZINC000434835988 849817051 /nfs/dbraw/zinc/81/70/51/849817051.db2.gz IUBZCAOXGHYSJX-UHFFFAOYSA-N 1 1 375.388 3.902 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423380349 849893249 /nfs/dbraw/zinc/89/32/49/849893249.db2.gz YLMXHJKXCWNJMT-ACWOFJMJSA-N 1 1 375.419 3.539 20 5 GHBDMO Cc1c(C[N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000522553276 862076004 /nfs/dbraw/zinc/07/60/04/862076004.db2.gz KDVIIBAUTXONDZ-OAHLLOKOSA-N 1 1 398.381 3.794 20 5 GHBDMO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@]4(CNC(=O)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000435054499 850027400 /nfs/dbraw/zinc/02/74/00/850027400.db2.gz CJNPXKJPDWRJEA-NRFANRHFSA-N 1 1 397.500 3.766 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000486761581 850065532 /nfs/dbraw/zinc/06/55/32/850065532.db2.gz WEAQFJAYVDCMSU-CQSZACIVSA-N 1 1 397.431 3.950 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000481697652 862090541 /nfs/dbraw/zinc/09/05/41/862090541.db2.gz XOFRFGDQBATWDI-OAQYLSRUSA-N 1 1 384.432 3.504 20 5 GHBDMO COc1ccc(C[N@@H+](CCO)C2CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000439780942 850385808 /nfs/dbraw/zinc/38/58/08/850385808.db2.gz IEWPVIFYBJJJCH-UHFFFAOYSA-N 1 1 386.448 3.529 20 5 GHBDMO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435374647 850422126 /nfs/dbraw/zinc/42/21/26/850422126.db2.gz JEPVPPBCGOQDHQ-VXGBXAGGSA-N 1 1 394.269 3.786 20 5 GHBDMO CC(C)[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506754123 850773457 /nfs/dbraw/zinc/77/34/57/850773457.db2.gz WPQYLYHHYOWUOK-UHFFFAOYSA-N 1 1 383.242 3.820 20 5 GHBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426567573 850774376 /nfs/dbraw/zinc/77/43/76/850774376.db2.gz WPZCGPKRDZJXII-MRXNPFEDSA-N 1 1 385.464 3.540 20 5 GHBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000513840514 850933044 /nfs/dbraw/zinc/93/30/44/850933044.db2.gz CWINFINJJXTAIS-GOSISDBHSA-N 1 1 379.460 3.786 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC001126473147 851054250 /nfs/dbraw/zinc/05/42/50/851054250.db2.gz SBTGLLDATHRMOB-UHFFFAOYSA-N 1 1 385.386 3.704 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000604435513 862205564 /nfs/dbraw/zinc/20/55/64/862205564.db2.gz LAQYCGWSKXTVQQ-IBGZPJMESA-N 1 1 383.448 3.996 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000604435513 862205584 /nfs/dbraw/zinc/20/55/84/862205584.db2.gz LAQYCGWSKXTVQQ-IBGZPJMESA-N 1 1 383.448 3.996 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(OCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000042563602 851143373 /nfs/dbraw/zinc/14/33/73/851143373.db2.gz FEKNEEVTEDTSDH-KRWDZBQOSA-N 1 1 397.475 3.911 20 5 GHBDMO CSc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000604472316 862213945 /nfs/dbraw/zinc/21/39/45/862213945.db2.gz YBLVQRQQRIYAJG-KRWDZBQOSA-N 1 1 399.516 3.959 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000488796644 851790014 /nfs/dbraw/zinc/79/00/14/851790014.db2.gz HLYISJMGSVXCIT-HXUWFJFHSA-N 1 1 383.448 3.860 20 5 GHBDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000473763252 851855672 /nfs/dbraw/zinc/85/56/72/851855672.db2.gz IURIHDFTRPHCDL-QFBILLFUSA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505832024 851956640 /nfs/dbraw/zinc/95/66/40/851956640.db2.gz KYWHKJQGAMDBAD-QGZVFWFLSA-N 1 1 383.448 3.633 20 5 GHBDMO Cc1ccc(O[C@H](C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000516100396 852139230 /nfs/dbraw/zinc/13/92/30/852139230.db2.gz OGWAPQUDXBSYNG-OXQOHEQNSA-N 1 1 380.448 3.783 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425975944 852216942 /nfs/dbraw/zinc/21/69/42/852216942.db2.gz PBHBQPSOINODKX-PGRDOPGGSA-N 1 1 383.492 3.533 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425975944 852216954 /nfs/dbraw/zinc/21/69/54/852216954.db2.gz PBHBQPSOINODKX-PGRDOPGGSA-N 1 1 383.492 3.533 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425975944 852216968 /nfs/dbraw/zinc/21/69/68/852216968.db2.gz PBHBQPSOINODKX-PGRDOPGGSA-N 1 1 383.492 3.533 20 5 GHBDMO COc1ccc(-c2ccc(C[NH+]3CCN(c4ccccn4)CC3)o2)c([N+](=O)[O-])c1 ZINC000505907016 852539684 /nfs/dbraw/zinc/53/96/84/852539684.db2.gz IFGUQTGYVOMQRF-UHFFFAOYSA-N 1 1 394.431 3.581 20 5 GHBDMO Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000516692540 852871937 /nfs/dbraw/zinc/87/19/37/852871937.db2.gz VYJDUXDBTUNRKH-LJQANCHMSA-N 1 1 381.476 3.935 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000516688531 852889155 /nfs/dbraw/zinc/88/91/55/852889155.db2.gz HJAMGRVJEMAEFC-AZUAARDMSA-N 1 1 381.476 3.557 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)COCc2ccccc2Cl)C2CC2)c1 ZINC000490435307 853028514 /nfs/dbraw/zinc/02/85/14/853028514.db2.gz IXSSWARFKZGDOU-LJQANCHMSA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490806631 853282353 /nfs/dbraw/zinc/28/23/53/853282353.db2.gz PZVHVCPETCDJMV-RDJZCZTQSA-N 1 1 392.459 3.717 20 5 GHBDMO C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000437586881 853302902 /nfs/dbraw/zinc/30/29/02/853302902.db2.gz FFQKZUAGOAKXBN-UTKZUKDTSA-N 1 1 399.516 3.925 20 5 GHBDMO COc1cc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184403751 853320581 /nfs/dbraw/zinc/32/05/81/853320581.db2.gz SWSAFNOFFIWFKJ-QGZVFWFLSA-N 1 1 390.411 3.915 20 5 GHBDMO COc1ccccc1[C@@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000439250627 853459011 /nfs/dbraw/zinc/45/90/11/853459011.db2.gz VLCYMATYLYRLID-LJQANCHMSA-N 1 1 385.464 3.760 20 5 GHBDMO COc1ccccc1[C@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000439250625 853459509 /nfs/dbraw/zinc/45/95/09/853459509.db2.gz VLCYMATYLYRLID-IBGZPJMESA-N 1 1 385.464 3.760 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn2cc(Br)ccc2n1 ZINC000586773237 853534084 /nfs/dbraw/zinc/53/40/84/853534084.db2.gz BPHORODSZKGLOL-UHFFFAOYSA-N 1 1 389.253 3.680 20 5 GHBDMO C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000426351054 853544010 /nfs/dbraw/zinc/54/40/10/853544010.db2.gz HFRFBTNQAMULGS-QGZVFWFLSA-N 1 1 396.491 3.789 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000052866987 853679033 /nfs/dbraw/zinc/67/90/33/853679033.db2.gz AKTFGMJBGBZCTB-CQSZACIVSA-N 1 1 383.448 3.503 20 5 GHBDMO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025702567 853689687 /nfs/dbraw/zinc/68/96/87/853689687.db2.gz UVHHQUADGXZZGM-INIZCTEOSA-N 1 1 384.480 3.553 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000591079644 853794748 /nfs/dbraw/zinc/79/47/48/853794748.db2.gz OUKUDNUDTYWQSB-UHFFFAOYSA-N 1 1 377.510 3.655 20 5 GHBDMO C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458882474 854410270 /nfs/dbraw/zinc/41/02/70/854410270.db2.gz AKOFKNOYEZVAME-FGTMMUONSA-N 1 1 388.512 3.952 20 5 GHBDMO COc1cccc([C@@H](C)[NH+]2CCN(c3cc(OC)cc(F)c3[N+](=O)[O-])CC2)c1 ZINC000301455012 854896475 /nfs/dbraw/zinc/89/64/75/854896475.db2.gz WBZAIIIRHDOHFT-CQSZACIVSA-N 1 1 389.427 3.634 20 5 GHBDMO C[N@@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000553449611 855025120 /nfs/dbraw/zinc/02/51/20/855025120.db2.gz UVCUUYUWXQGHEF-DZGCQCFKSA-N 1 1 391.403 3.735 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000553449611 855025122 /nfs/dbraw/zinc/02/51/22/855025122.db2.gz UVCUUYUWXQGHEF-DZGCQCFKSA-N 1 1 391.403 3.735 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(Cl)cc1 ZINC000536370262 855155133 /nfs/dbraw/zinc/15/51/33/855155133.db2.gz KGHQVGYZAYIEGB-DNVCBOLYSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(Cl)cc1 ZINC000536370262 855155136 /nfs/dbraw/zinc/15/51/36/855155136.db2.gz KGHQVGYZAYIEGB-DNVCBOLYSA-N 1 1 398.850 3.905 20 5 GHBDMO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2Br)[NH+]2CCCC2)o1 ZINC000301520488 855198940 /nfs/dbraw/zinc/19/89/40/855198940.db2.gz GQWMRUDUBUQUGU-AWEZNQCLSA-N 1 1 395.257 3.903 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000184704950 855618732 /nfs/dbraw/zinc/61/87/32/855618732.db2.gz SCZHINKMMZQGET-FQEVSTJZSA-N 1 1 383.492 3.932 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000520553595 855643537 /nfs/dbraw/zinc/64/35/37/855643537.db2.gz IWIPJZBXBTZXJV-LJQANCHMSA-N 1 1 395.463 3.812 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3cc(F)ccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000591015045 855722407 /nfs/dbraw/zinc/72/24/07/855722407.db2.gz YPNKTILAYZVRSH-ZDUSSCGKSA-N 1 1 387.411 3.690 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000591015001 855722635 /nfs/dbraw/zinc/72/26/35/855722635.db2.gz ALHVMRWPTNFWND-ZDUSSCGKSA-N 1 1 387.411 3.690 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000591015046 855723297 /nfs/dbraw/zinc/72/32/97/855723297.db2.gz ZCYOCNIUEOXSJY-CYBMUJFWSA-N 1 1 387.411 3.690 20 5 GHBDMO Cc1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c(N2CCCC2)[nH+]1 ZINC000591153011 855799198 /nfs/dbraw/zinc/79/91/98/855799198.db2.gz FYOQXRAZJHPNEJ-UHFFFAOYSA-N 1 1 381.358 3.924 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[N@H+](C4CCCC4)CC3)o2)c1 ZINC000172579251 855911003 /nfs/dbraw/zinc/91/10/03/855911003.db2.gz OBPVJVKEPMJNLB-UHFFFAOYSA-N 1 1 384.480 3.743 20 5 GHBDMO CNc1c(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462762236 856181208 /nfs/dbraw/zinc/18/12/08/856181208.db2.gz BQPSRMMCLQBPPX-FUHWJXTLSA-N 1 1 396.491 3.667 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000499439647 856331332 /nfs/dbraw/zinc/33/13/32/856331332.db2.gz XFBVQKPNXWZLID-ROUUACIJSA-N 1 1 381.476 3.649 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCCC[C@H]3O)o2)cc1 ZINC000281028057 862811374 /nfs/dbraw/zinc/81/13/74/862811374.db2.gz OXNLOXRNMAHDCW-KZNAEPCWSA-N 1 1 386.452 3.550 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)O1 ZINC000245551618 856954731 /nfs/dbraw/zinc/95/47/31/856954731.db2.gz BPGJPQLIKYHOMF-IERDGZPVSA-N 1 1 392.459 3.957 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)O1 ZINC000245551618 856954736 /nfs/dbraw/zinc/95/47/36/856954736.db2.gz BPGJPQLIKYHOMF-IERDGZPVSA-N 1 1 392.459 3.957 20 5 GHBDMO C[N@@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245644876 857045097 /nfs/dbraw/zinc/04/50/97/857045097.db2.gz AZPXVCJJGSQEDG-BDJLRTHQSA-N 1 1 397.859 3.872 20 5 GHBDMO C[N@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245644876 857045113 /nfs/dbraw/zinc/04/51/13/857045113.db2.gz AZPXVCJJGSQEDG-BDJLRTHQSA-N 1 1 397.859 3.872 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000173692640 857091433 /nfs/dbraw/zinc/09/14/33/857091433.db2.gz RMSNHFORCNQPFH-MRXNPFEDSA-N 1 1 385.464 3.803 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245724104 857146095 /nfs/dbraw/zinc/14/60/95/857146095.db2.gz IMQVFGZHUFYBEQ-IEBWSBKVSA-N 1 1 392.477 3.642 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245724104 857146100 /nfs/dbraw/zinc/14/61/00/857146100.db2.gz IMQVFGZHUFYBEQ-IEBWSBKVSA-N 1 1 392.477 3.642 20 5 GHBDMO COc1ccc(NC(=O)C[NH2+]C2(c3ccccc3Cl)CCC2)c([N+](=O)[O-])c1 ZINC000593043457 857196659 /nfs/dbraw/zinc/19/66/59/857196659.db2.gz YNTFOXNUZKTFEV-UHFFFAOYSA-N 1 1 389.839 3.864 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(C3(O)CC3)CC2)cc1OC ZINC000593048787 857200211 /nfs/dbraw/zinc/20/02/11/857200211.db2.gz HOZOOKJQBNJYBP-HNNXBMFYSA-N 1 1 392.496 3.765 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1c1ccc(OC(F)F)cc1 ZINC000174568974 857344670 /nfs/dbraw/zinc/34/46/70/857344670.db2.gz CQPINHQRFIDTBE-AWEZNQCLSA-N 1 1 397.403 3.543 20 5 GHBDMO CC[N@H+]1CCCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 ZINC000521058137 857567736 /nfs/dbraw/zinc/56/77/36/857567736.db2.gz SMWFATCNBMTIDU-UHFFFAOYSA-N 1 1 382.464 3.688 20 5 GHBDMO Cc1c(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000438902318 857590434 /nfs/dbraw/zinc/59/04/34/857590434.db2.gz MUVQXDYLVQPFNY-QGZVFWFLSA-N 1 1 395.503 3.994 20 5 GHBDMO CCc1cc(NC[C@@H]2CCC[N@H+](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521149258 857667228 /nfs/dbraw/zinc/66/72/28/857667228.db2.gz IWUNCOYNDAKSAK-INIZCTEOSA-N 1 1 383.496 3.568 20 5 GHBDMO CSc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000486439592 857738459 /nfs/dbraw/zinc/73/84/59/857738459.db2.gz ZTAILDCEACGYLE-INIZCTEOSA-N 1 1 385.489 3.663 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000113900188 857775725 /nfs/dbraw/zinc/77/57/25/857775725.db2.gz XDHVCDLGEQZATI-CABCVRRESA-N 1 1 379.888 3.975 20 5 GHBDMO CC[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000442968397 858276519 /nfs/dbraw/zinc/27/65/19/858276519.db2.gz WSZXNRHNUJWTJC-OAHLLOKOSA-N 1 1 389.839 3.751 20 5 GHBDMO CC[N@@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000442968397 858276522 /nfs/dbraw/zinc/27/65/22/858276522.db2.gz WSZXNRHNUJWTJC-OAHLLOKOSA-N 1 1 389.839 3.751 20 5 GHBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000059375278 858341811 /nfs/dbraw/zinc/34/18/11/858341811.db2.gz UJQJYOYUHGTGAE-MRXNPFEDSA-N 1 1 385.247 3.773 20 5 GHBDMO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595017019 858351835 /nfs/dbraw/zinc/35/18/35/858351835.db2.gz YHXIKORAOLIZBE-GJZGRUSLSA-N 1 1 385.464 3.983 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCN(C2CCCCC2)C1=O ZINC000595039437 858376718 /nfs/dbraw/zinc/37/67/18/858376718.db2.gz FWTHXIWJPWFWCF-KSSFIOAISA-N 1 1 375.469 3.578 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CCN([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000595102736 858405554 /nfs/dbraw/zinc/40/55/54/858405554.db2.gz LNMIMKBCFHKTRV-YADHBBJMSA-N 1 1 381.476 3.527 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000593103734 858644597 /nfs/dbraw/zinc/64/45/97/858644597.db2.gz NNODLLUYEQWBRX-AEFFLSMTSA-N 1 1 399.466 3.693 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000595765480 858663378 /nfs/dbraw/zinc/66/33/78/858663378.db2.gz LOENUDRVEXAJKG-NRFANRHFSA-N 1 1 394.431 3.817 20 5 GHBDMO C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000543150473 858663881 /nfs/dbraw/zinc/66/38/81/858663881.db2.gz DVUNVWACRCFWIL-OLZOCXBDSA-N 1 1 385.917 3.719 20 5 GHBDMO C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000543150479 858663902 /nfs/dbraw/zinc/66/39/02/858663902.db2.gz DVUNVWACRCFWIL-STQMWFEESA-N 1 1 385.917 3.719 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595786962 858688208 /nfs/dbraw/zinc/68/82/08/858688208.db2.gz DIVUKACZQFPSFL-FRQCXROJSA-N 1 1 375.469 3.511 20 5 GHBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000137588921 858715980 /nfs/dbraw/zinc/71/59/80/858715980.db2.gz KQEVUIZIQPUOJK-AWEZNQCLSA-N 1 1 377.510 3.701 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522176982 858724373 /nfs/dbraw/zinc/72/43/73/858724373.db2.gz KLUAFMUXUBKWEL-FQEVSTJZSA-N 1 1 396.491 3.639 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000159856141 863056450 /nfs/dbraw/zinc/05/64/50/863056450.db2.gz PNTDPXNOEBPXSG-ZBFHGGJFSA-N 1 1 377.510 3.794 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCC[N@@H+](CC4CC4)C3)cs2)c1 ZINC000596058713 858760540 /nfs/dbraw/zinc/76/05/40/858760540.db2.gz IFDBPZIMHKJYOM-MRXNPFEDSA-N 1 1 386.521 3.930 20 5 GHBDMO Cc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001127726487 858804712 /nfs/dbraw/zinc/80/47/12/858804712.db2.gz ASODOXFIKSGQSD-KBPBESRZSA-N 1 1 382.464 3.763 20 5 GHBDMO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000466244863 858844297 /nfs/dbraw/zinc/84/42/97/858844297.db2.gz VZHGHWOFUDEUSH-CQSZACIVSA-N 1 1 390.871 3.568 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cc(C4CC4)nn3C)o2)c([N+](=O)[O-])c1 ZINC000922948398 858883524 /nfs/dbraw/zinc/88/35/24/858883524.db2.gz QYVGWQUNBOWFII-UHFFFAOYSA-N 1 1 382.420 3.764 20 5 GHBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000466268778 858937869 /nfs/dbraw/zinc/93/78/69/858937869.db2.gz FWPAQZGYKDYIGJ-SFHVURJKSA-N 1 1 391.830 3.668 20 5 GHBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000466268778 858937879 /nfs/dbraw/zinc/93/78/79/858937879.db2.gz FWPAQZGYKDYIGJ-SFHVURJKSA-N 1 1 391.830 3.668 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170327262 881363752 /nfs/dbraw/zinc/36/37/52/881363752.db2.gz GLCXTSZIYRHRRV-CJNGLKHVSA-N 1 1 380.441 3.560 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170327262 881363771 /nfs/dbraw/zinc/36/37/71/881363771.db2.gz GLCXTSZIYRHRRV-CJNGLKHVSA-N 1 1 380.441 3.560 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494271915 881365444 /nfs/dbraw/zinc/36/54/44/881365444.db2.gz UTLRPGCSJWRRIY-QAPCUYQASA-N 1 1 395.793 3.588 20 5 GHBDMO Cc1c(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)cccc1[N+](=O)[O-] ZINC000596613504 858967944 /nfs/dbraw/zinc/96/79/44/858967944.db2.gz GXBCSSDOPJDWRT-KUHUBIRLSA-N 1 1 394.431 3.915 20 5 GHBDMO Cc1c(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)cccc1[N+](=O)[O-] ZINC000596613504 858967953 /nfs/dbraw/zinc/96/79/53/858967953.db2.gz GXBCSSDOPJDWRT-KUHUBIRLSA-N 1 1 394.431 3.915 20 5 GHBDMO C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000543256213 859047880 /nfs/dbraw/zinc/04/78/80/859047880.db2.gz CMWUFMAQTGCBNO-CHWSQXEVSA-N 1 1 385.917 3.577 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001170336978 881381608 /nfs/dbraw/zinc/38/16/08/881381608.db2.gz INYCDFQPPOXBOG-LDLYASANSA-N 1 1 395.459 3.989 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352914 881387922 /nfs/dbraw/zinc/38/79/22/881387922.db2.gz UDTMFWLXPNTFIC-UYAOXDASSA-N 1 1 397.519 3.988 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352914 881387939 /nfs/dbraw/zinc/38/79/39/881387939.db2.gz UDTMFWLXPNTFIC-UYAOXDASSA-N 1 1 397.519 3.988 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494266012 881388947 /nfs/dbraw/zinc/38/89/47/881388947.db2.gz UIYDEQYGXGYZAS-CRAIPNDOSA-N 1 1 395.793 3.588 20 5 GHBDMO COc1ccc(C[C@@H](C)n2ccc(C[NH2+]Cc3ccccc3)n2)c([N+](=O)[O-])c1 ZINC001170353998 881394972 /nfs/dbraw/zinc/39/49/72/881394972.db2.gz GOTHYSQKONZFHA-MRXNPFEDSA-N 1 1 380.448 3.893 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC001170354052 881396151 /nfs/dbraw/zinc/39/61/51/881396151.db2.gz HOMCSXGDCZYCOM-QFBILLFUSA-N 1 1 385.464 3.781 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509399266 859315217 /nfs/dbraw/zinc/31/52/17/859315217.db2.gz LGEXRHJUVNKLJC-HXUWFJFHSA-N 1 1 396.491 3.789 20 5 GHBDMO COc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597210518 859347868 /nfs/dbraw/zinc/34/78/68/859347868.db2.gz IBGGPMOJHHTGRQ-PGRDOPGGSA-N 1 1 398.459 3.651 20 5 GHBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000597204653 859360245 /nfs/dbraw/zinc/36/02/45/859360245.db2.gz CEZYVLYTRAXCRB-CRAIPNDOSA-N 1 1 399.422 3.627 20 5 GHBDMO Cn1cc(C[N@@H+](C)CCCOc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509413571 859368260 /nfs/dbraw/zinc/36/82/60/859368260.db2.gz AAWBHELNSHHZIA-UHFFFAOYSA-N 1 1 380.448 3.896 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[N@H+]1C ZINC000611209348 859644580 /nfs/dbraw/zinc/64/45/80/859644580.db2.gz UBGFHBVCWYOCDG-KGLIPLIRSA-N 1 1 377.510 3.842 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)o1 ZINC000611254004 859664873 /nfs/dbraw/zinc/66/48/73/859664873.db2.gz DJCGBBOKZMSVKH-KRWDZBQOSA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCN(C[C@@H]3CCCO3)CC2)o1 ZINC000611254004 859664876 /nfs/dbraw/zinc/66/48/76/859664876.db2.gz DJCGBBOKZMSVKH-KRWDZBQOSA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCN(C[C@@H]3CCCO3)CC2)o1 ZINC000611254004 859664880 /nfs/dbraw/zinc/66/48/80/859664880.db2.gz DJCGBBOKZMSVKH-KRWDZBQOSA-N 1 1 385.464 3.542 20 5 GHBDMO CCOC(=O)CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000611275105 859677136 /nfs/dbraw/zinc/67/71/36/859677136.db2.gz CGCCIPVKHJHMNW-UHFFFAOYSA-N 1 1 386.395 3.752 20 5 GHBDMO Cc1nn(C[NH+]2CCC(OCCc3ccccc3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764926328 859683888 /nfs/dbraw/zinc/68/38/88/859683888.db2.gz RRKYWJPQQWQXPT-UHFFFAOYSA-N 1 1 394.475 3.934 20 5 GHBDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000764956966 859699279 /nfs/dbraw/zinc/69/92/79/859699279.db2.gz XBHNLADQQPCTRV-INIZCTEOSA-N 1 1 397.504 3.856 20 5 GHBDMO C[N@@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000611429429 859752221 /nfs/dbraw/zinc/75/22/21/859752221.db2.gz RDHPYAIFIJCNGN-UHFFFAOYSA-N 1 1 375.494 3.621 20 5 GHBDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000611555162 859803828 /nfs/dbraw/zinc/80/38/28/859803828.db2.gz PNGWMSAPWUVZNO-VXGBXAGGSA-N 1 1 387.358 3.556 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000552112044 859813301 /nfs/dbraw/zinc/81/33/01/859813301.db2.gz HRNIQEPETIIUQE-UHFFFAOYSA-N 1 1 398.488 3.799 20 5 GHBDMO CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160862 859854736 /nfs/dbraw/zinc/85/47/36/859854736.db2.gz MQFIUKCNSKKSNX-BVSLBCMMSA-N 1 1 383.492 3.519 20 5 GHBDMO CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160862 859854745 /nfs/dbraw/zinc/85/47/45/859854745.db2.gz MQFIUKCNSKKSNX-BVSLBCMMSA-N 1 1 383.492 3.519 20 5 GHBDMO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000474351534 859905512 /nfs/dbraw/zinc/90/55/12/859905512.db2.gz NDFHAWFUDNCHTL-GFCCVEGCSA-N 1 1 378.812 3.651 20 5 GHBDMO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000474379420 859964700 /nfs/dbraw/zinc/96/47/00/859964700.db2.gz QRXOMMRZQLKPLP-MRXNPFEDSA-N 1 1 394.374 3.666 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001170351756 881494601 /nfs/dbraw/zinc/49/46/01/881494601.db2.gz IADQZPCMPWMPMB-BTYIYWSLSA-N 1 1 388.439 3.921 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001170351756 881494700 /nfs/dbraw/zinc/49/47/00/881494700.db2.gz IADQZPCMPWMPMB-BTYIYWSLSA-N 1 1 388.439 3.921 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CNC3CC[NH+](Cc4ccc(F)cc4)CC3)nc2c1 ZINC000602518272 860070887 /nfs/dbraw/zinc/07/08/87/860070887.db2.gz ORKBJOCYXAEDEE-UHFFFAOYSA-N 1 1 384.411 3.629 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)nc1 ZINC000128905250 860094116 /nfs/dbraw/zinc/09/41/16/860094116.db2.gz QLEUFYTZYOQKPJ-INIZCTEOSA-N 1 1 398.854 3.720 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000054224829 860136357 /nfs/dbraw/zinc/13/63/57/860136357.db2.gz YVBGUFNTDIGHHI-HOCLYGCPSA-N 1 1 385.489 3.882 20 5 GHBDMO COc1cc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000602797864 860283075 /nfs/dbraw/zinc/28/30/75/860283075.db2.gz CUAIMINYVMCZKY-OAHLLOKOSA-N 1 1 396.447 3.767 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093820736 860357667 /nfs/dbraw/zinc/35/76/67/860357667.db2.gz YLJBOXCWCQAGEP-JOCHJYFZSA-N 1 1 398.459 3.795 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552250086 860406861 /nfs/dbraw/zinc/40/68/61/860406861.db2.gz UYGWJKJCSMKQRQ-PXNSSMCTSA-N 1 1 399.539 3.908 20 5 GHBDMO Cn1cc(C[N@H+]2CCCN(c3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130751954 860459786 /nfs/dbraw/zinc/45/97/86/860459786.db2.gz JKZZFVQYLWADHZ-UHFFFAOYSA-N 1 1 391.475 3.708 20 5 GHBDMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000130764799 860470644 /nfs/dbraw/zinc/47/06/44/860470644.db2.gz JWKNMILJEFSYOT-MJGOQNOKSA-N 1 1 392.477 3.642 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000130764799 860470653 /nfs/dbraw/zinc/47/06/53/860470653.db2.gz JWKNMILJEFSYOT-MJGOQNOKSA-N 1 1 392.477 3.642 20 5 GHBDMO O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000170702115 860593381 /nfs/dbraw/zinc/59/33/81/860593381.db2.gz CXTNXBUQSHWOSV-CQSZACIVSA-N 1 1 375.375 3.724 20 5 GHBDMO COc1cc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)c([N+](=O)[O-])cc1O ZINC000593674138 860786805 /nfs/dbraw/zinc/78/68/05/860786805.db2.gz OOZYTGZIKVMGJF-AWEZNQCLSA-N 1 1 376.384 3.840 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599163931 860864567 /nfs/dbraw/zinc/86/45/67/860864567.db2.gz HYQJUBIMCISPEC-UHFFFAOYSA-N 1 1 398.301 3.550 20 5 GHBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000603586143 860867615 /nfs/dbraw/zinc/86/76/15/860867615.db2.gz QXEDDHLIAZLFMS-CQSZACIVSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000603586143 860867622 /nfs/dbraw/zinc/86/76/22/860867622.db2.gz QXEDDHLIAZLFMS-CQSZACIVSA-N 1 1 385.247 3.773 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000170914688 860980149 /nfs/dbraw/zinc/98/01/49/860980149.db2.gz ONEGGWQKXAMBOZ-HNNXBMFYSA-N 1 1 393.484 3.729 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000170914688 860980168 /nfs/dbraw/zinc/98/01/68/860980168.db2.gz ONEGGWQKXAMBOZ-HNNXBMFYSA-N 1 1 393.484 3.729 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000157461572 861161879 /nfs/dbraw/zinc/16/18/79/861161879.db2.gz PKKSJJDXNKWVPR-QGZVFWFLSA-N 1 1 388.512 3.510 20 5 GHBDMO Cc1ccc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000302033599 861180214 /nfs/dbraw/zinc/18/02/14/861180214.db2.gz DEPSTXUYGSIIML-UHFFFAOYSA-N 1 1 397.479 3.649 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000603774639 861185026 /nfs/dbraw/zinc/18/50/26/861185026.db2.gz PBUMMOHRTXBAQB-HXUWFJFHSA-N 1 1 396.491 3.501 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000603774638 861185185 /nfs/dbraw/zinc/18/51/85/861185185.db2.gz PBUMMOHRTXBAQB-FQEVSTJZSA-N 1 1 396.491 3.501 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC1 ZINC000482475616 863185961 /nfs/dbraw/zinc/18/59/61/863185961.db2.gz HDWMLRYKKSQELM-FQEVSTJZSA-N 1 1 392.459 3.717 20 5 GHBDMO COc1cccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1[N+](=O)[O-] ZINC000444038207 863195890 /nfs/dbraw/zinc/19/58/90/863195890.db2.gz PELJLVJVKPFNLP-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160204019 863405058 /nfs/dbraw/zinc/40/50/58/863405058.db2.gz UTRAALCPKRJFHV-OLZOCXBDSA-N 1 1 386.374 3.704 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444110504 863442204 /nfs/dbraw/zinc/44/22/04/863442204.db2.gz QOZIXNMAFWSTTH-CQSZACIVSA-N 1 1 399.441 3.516 20 5 GHBDMO C[C@@H]1SCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000522835198 863518859 /nfs/dbraw/zinc/51/88/59/863518859.db2.gz NOFADVNBOXNXLZ-CVAIRZPRSA-N 1 1 388.489 3.513 20 5 GHBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000444253210 863761463 /nfs/dbraw/zinc/76/14/63/863761463.db2.gz SPEMKHKZIFWTMR-BFQNTYOBSA-N 1 1 396.285 3.949 20 5 GHBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000444253210 863761470 /nfs/dbraw/zinc/76/14/70/863761470.db2.gz SPEMKHKZIFWTMR-BFQNTYOBSA-N 1 1 396.285 3.949 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000153053799 881694001 /nfs/dbraw/zinc/69/40/01/881694001.db2.gz UEQCQWRWVTVIAG-INIZCTEOSA-N 1 1 380.366 3.575 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H]1c1ccccc1 ZINC000444294473 863844859 /nfs/dbraw/zinc/84/48/59/863844859.db2.gz YOTQWGWNPXASRK-DHIUTWEWSA-N 1 1 397.478 3.857 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H]1c1ccccc1 ZINC000444294473 863844866 /nfs/dbraw/zinc/84/48/66/863844866.db2.gz YOTQWGWNPXASRK-DHIUTWEWSA-N 1 1 397.478 3.857 20 5 GHBDMO O=C(C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000594035783 863848977 /nfs/dbraw/zinc/84/89/77/863848977.db2.gz VSSVXRRCAKWUIV-UHFFFAOYSA-N 1 1 395.337 3.711 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494433377 881714308 /nfs/dbraw/zinc/71/43/08/881714308.db2.gz JJBVNFOMIRBQQM-SFHVURJKSA-N 1 1 386.496 3.533 20 5 GHBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475312288 864763378 /nfs/dbraw/zinc/76/33/78/864763378.db2.gz MEDFDYPNSBERRS-SFHVURJKSA-N 1 1 387.867 3.524 20 5 GHBDMO CCN1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1c1ncc[nH]1 ZINC000475354100 864844685 /nfs/dbraw/zinc/84/46/85/864844685.db2.gz XETDQIGIIPNQIZ-SFHVURJKSA-N 1 1 397.504 3.925 20 5 GHBDMO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480559699 864862701 /nfs/dbraw/zinc/86/27/01/864862701.db2.gz VJGIMDDDGQHDLK-IBGZPJMESA-N 1 1 397.475 3.648 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000735940797 865062941 /nfs/dbraw/zinc/06/29/41/865062941.db2.gz WDKPKNFHTSOIPD-KRWDZBQOSA-N 1 1 384.432 3.559 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC000793012174 881875071 /nfs/dbraw/zinc/87/50/71/881875071.db2.gz WFVPGKSNGNYYQJ-UHFFFAOYSA-N 1 1 378.219 3.772 20 5 GHBDMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000608877184 865784422 /nfs/dbraw/zinc/78/44/22/865784422.db2.gz QQICTGTYUGGODJ-WMZOPIPTSA-N 1 1 382.464 3.596 20 5 GHBDMO CCC[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740859689 866046790 /nfs/dbraw/zinc/04/67/90/866046790.db2.gz SWJXPKUEQXEDFA-AQNXPRMDSA-N 1 1 384.480 3.941 20 5 GHBDMO C[C@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1Cc1ccccc1 ZINC000534248131 866368168 /nfs/dbraw/zinc/36/81/68/866368168.db2.gz ORKLYCFFDFBTKE-INIZCTEOSA-N 1 1 392.459 3.813 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000475577846 866389898 /nfs/dbraw/zinc/38/98/98/866389898.db2.gz IQQGTULBUYCLLR-UHFFFAOYSA-N 1 1 382.464 3.870 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065308441 866404044 /nfs/dbraw/zinc/40/40/44/866404044.db2.gz PLEVHNPDNXMPPF-AWEZNQCLSA-N 1 1 388.493 3.713 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000552937339 866534218 /nfs/dbraw/zinc/53/42/18/866534218.db2.gz BYWKTIDJKJZVNR-HNNXBMFYSA-N 1 1 382.464 3.680 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444827545 867275479 /nfs/dbraw/zinc/27/54/79/867275479.db2.gz PJHHOEQFEKYHIG-SFHVURJKSA-N 1 1 397.478 3.686 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444827545 867275495 /nfs/dbraw/zinc/27/54/95/867275495.db2.gz PJHHOEQFEKYHIG-SFHVURJKSA-N 1 1 397.478 3.686 20 5 GHBDMO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1COc2ccccc2O1 ZINC000534811411 867518170 /nfs/dbraw/zinc/51/81/70/867518170.db2.gz VLLPWJPGRASBOF-SFHVURJKSA-N 1 1 395.415 3.912 20 5 GHBDMO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1COc2ccccc2O1 ZINC000534811411 867518181 /nfs/dbraw/zinc/51/81/81/867518181.db2.gz VLLPWJPGRASBOF-SFHVURJKSA-N 1 1 395.415 3.912 20 5 GHBDMO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@H](O)C(F)(F)F ZINC000428396041 868042101 /nfs/dbraw/zinc/04/21/01/868042101.db2.gz BWYCMHKZPFSNCA-INIZCTEOSA-N 1 1 388.342 3.609 20 5 GHBDMO CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@H](O)C(F)(F)F ZINC000428396041 868042120 /nfs/dbraw/zinc/04/21/20/868042120.db2.gz BWYCMHKZPFSNCA-INIZCTEOSA-N 1 1 388.342 3.609 20 5 GHBDMO Cc1c(CNC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000479764230 868489365 /nfs/dbraw/zinc/48/93/65/868489365.db2.gz FKGAHBDRFTUIPO-NRFANRHFSA-N 1 1 396.491 3.613 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000857319146 882202177 /nfs/dbraw/zinc/20/21/77/882202177.db2.gz ZOYVMSYPIBFCLR-QGZVFWFLSA-N 1 1 387.867 3.637 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000535549668 868959787 /nfs/dbraw/zinc/95/97/87/868959787.db2.gz FORYLXFOGRHRTG-QZTJIDSGSA-N 1 1 380.510 3.869 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000462416595 869398733 /nfs/dbraw/zinc/39/87/33/869398733.db2.gz KGTZLQLNAPIBIC-IEBWSBKVSA-N 1 1 395.503 3.727 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000793604196 882306418 /nfs/dbraw/zinc/30/64/18/882306418.db2.gz ITUMFKSLTIAVRG-HSTAZWAASA-N 1 1 387.480 3.941 20 5 GHBDMO COc1cc(C[N@@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000524753150 869499687 /nfs/dbraw/zinc/49/96/87/869499687.db2.gz HOZKXKYTFZXBLW-OAHLLOKOSA-N 1 1 376.425 3.778 20 5 GHBDMO COc1cc(C[N@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000524753150 869499688 /nfs/dbraw/zinc/49/96/88/869499688.db2.gz HOZKXKYTFZXBLW-OAHLLOKOSA-N 1 1 376.425 3.778 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000539680866 869589224 /nfs/dbraw/zinc/58/92/24/869589224.db2.gz QJXVVXHIINSLRB-UHFFFAOYSA-N 1 1 377.510 3.655 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000539764957 869744120 /nfs/dbraw/zinc/74/41/20/869744120.db2.gz FHIKRASPZVAODG-KRWDZBQOSA-N 1 1 393.447 3.768 20 5 GHBDMO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033174 869776487 /nfs/dbraw/zinc/77/64/87/869776487.db2.gz BOPDKPOFZQWYIJ-CABCVRRESA-N 1 1 392.477 3.507 20 5 GHBDMO COc1cc(C[NH+]2CCC(OC(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000539814993 869840024 /nfs/dbraw/zinc/84/00/24/869840024.db2.gz LEKMGCNOAUDDFO-UHFFFAOYSA-N 1 1 388.411 3.637 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000539850344 869898928 /nfs/dbraw/zinc/89/89/28/869898928.db2.gz JSHZVOLGWCUBKK-INIZCTEOSA-N 1 1 386.521 3.882 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000461472541 870257720 /nfs/dbraw/zinc/25/77/20/870257720.db2.gz WKEYZCBERJPKFH-IBGZPJMESA-N 1 1 381.476 3.935 20 5 GHBDMO CNc1c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000462983249 870590689 /nfs/dbraw/zinc/59/06/89/870590689.db2.gz ZVSMFYMSEJJWJF-AEFFLSMTSA-N 1 1 396.491 3.762 20 5 GHBDMO COCC[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000463038864 870722070 /nfs/dbraw/zinc/72/20/70/870722070.db2.gz RQJKNMKMLXFPAY-AWEZNQCLSA-N 1 1 380.828 3.746 20 5 GHBDMO COCC[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000463038864 870722085 /nfs/dbraw/zinc/72/20/85/870722085.db2.gz RQJKNMKMLXFPAY-AWEZNQCLSA-N 1 1 380.828 3.746 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169010258 871093914 /nfs/dbraw/zinc/09/39/14/871093914.db2.gz BYYKBTNGZVIKQN-AKHDSKFASA-N 1 1 395.544 3.791 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169012202 871096358 /nfs/dbraw/zinc/09/63/58/871096358.db2.gz OSFMZHUECXMMIU-HLIPFELVSA-N 1 1 381.517 3.687 20 5 GHBDMO COc1cc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)ccc1OCCC(C)C ZINC000540376295 871107455 /nfs/dbraw/zinc/10/74/55/871107455.db2.gz OODREOOVJNSQRV-AWEZNQCLSA-N 1 1 376.457 3.613 20 5 GHBDMO COc1ccc([C@H](C[N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(O)CCCCC2)cc1 ZINC001169040044 871119526 /nfs/dbraw/zinc/11/95/26/871119526.db2.gz XFINIGXVVWVYQZ-LMNJBCLMSA-N 1 1 390.524 3.851 20 5 GHBDMO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000540477446 871357962 /nfs/dbraw/zinc/35/79/62/871357962.db2.gz DUJNMVWLKPWNLE-MRXNPFEDSA-N 1 1 382.464 3.793 20 5 GHBDMO C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001169497963 871555254 /nfs/dbraw/zinc/55/52/54/871555254.db2.gz SRVNLBJYVBAPEQ-BGYRXZFFSA-N 1 1 385.489 3.641 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169517759 871625207 /nfs/dbraw/zinc/62/52/07/871625207.db2.gz KQVDPFKOSHUTQL-MJGOQNOKSA-N 1 1 383.448 3.774 20 5 GHBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ncc(-c3ccccc3)cn2)n1 ZINC000447600195 871960126 /nfs/dbraw/zinc/96/01/26/871960126.db2.gz ZSASKBIAFDCMJE-ROUUACIJSA-N 1 1 378.436 3.522 20 5 GHBDMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182198968 872019508 /nfs/dbraw/zinc/01/95/08/872019508.db2.gz NUNAKUREVRAHPV-KBPBESRZSA-N 1 1 387.461 3.637 20 5 GHBDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182198968 872019520 /nfs/dbraw/zinc/01/95/20/872019520.db2.gz NUNAKUREVRAHPV-KBPBESRZSA-N 1 1 387.461 3.637 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001195289538 872314997 /nfs/dbraw/zinc/31/49/97/872314997.db2.gz OSMPMCLDQQOVPS-STQMWFEESA-N 1 1 382.432 3.685 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001195289538 872315015 /nfs/dbraw/zinc/31/50/15/872315015.db2.gz OSMPMCLDQQOVPS-STQMWFEESA-N 1 1 382.432 3.685 20 5 GHBDMO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000182449195 872352108 /nfs/dbraw/zinc/35/21/08/872352108.db2.gz BUTAARMRASQVCV-SFHVURJKSA-N 1 1 398.431 3.634 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl ZINC000478024536 872367244 /nfs/dbraw/zinc/36/72/44/872367244.db2.gz BMOGVFFGBRTYKA-UHFFFAOYSA-N 1 1 399.838 3.748 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001195384851 872382502 /nfs/dbraw/zinc/38/25/02/872382502.db2.gz GPUWELVOGPZNJI-MRXNPFEDSA-N 1 1 378.469 3.950 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CC2CCCC2)c([N+](=O)[O-])c1 ZINC001195637640 872526479 /nfs/dbraw/zinc/52/64/79/872526479.db2.gz ATLKPVJGVUEFJY-MRXNPFEDSA-N 1 1 375.469 3.977 20 5 GHBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000767458883 872548504 /nfs/dbraw/zinc/54/85/04/872548504.db2.gz JAZMGOHOFHPZEK-SNVBAGLBSA-N 1 1 399.329 3.639 20 5 GHBDMO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001195728871 872580401 /nfs/dbraw/zinc/58/04/01/872580401.db2.gz JXFCHMFBUHRTQU-QRVBRYPASA-N 1 1 383.492 3.957 20 5 GHBDMO COc1cc(C[NH2+][C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000527075254 872609810 /nfs/dbraw/zinc/60/98/10/872609810.db2.gz YOZLMLFTJSJJBB-IBGZPJMESA-N 1 1 393.390 3.883 20 5 GHBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000619567148 872745537 /nfs/dbraw/zinc/74/55/37/872745537.db2.gz VNOJCEDQMRGQCZ-SFHVURJKSA-N 1 1 382.464 3.895 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1OC ZINC000541059425 872816906 /nfs/dbraw/zinc/81/69/06/872816906.db2.gz GIPXEAYLEHPOFD-ARFHVFGLSA-N 1 1 380.485 3.621 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000170906453 872916016 /nfs/dbraw/zinc/91/60/16/872916016.db2.gz JVIVHWGAOULATQ-UHFFFAOYSA-N 1 1 399.491 3.851 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000170906453 872916026 /nfs/dbraw/zinc/91/60/26/872916026.db2.gz JVIVHWGAOULATQ-UHFFFAOYSA-N 1 1 399.491 3.851 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463965734 872979551 /nfs/dbraw/zinc/97/95/51/872979551.db2.gz AXNUOIHPDQZIQL-SFHVURJKSA-N 1 1 382.464 3.950 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000768526199 873358834 /nfs/dbraw/zinc/35/88/34/873358834.db2.gz MFCMPPSGJKEGJX-UHFFFAOYSA-N 1 1 391.265 3.841 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](CO)C(C)C)cc1 ZINC000491317463 873514538 /nfs/dbraw/zinc/51/45/38/873514538.db2.gz SYTCNPDZFQICRR-HXUWFJFHSA-N 1 1 376.428 3.762 20 5 GHBDMO COC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595684899 873665195 /nfs/dbraw/zinc/66/51/95/873665195.db2.gz RXIULVXNBZDNAX-INIZCTEOSA-N 1 1 395.253 3.843 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CCC[N@H+](C3CCCC3)CC2)ccc1Br ZINC000769207936 873889206 /nfs/dbraw/zinc/88/92/06/873889206.db2.gz FEUUCDZFCQYCGA-UHFFFAOYSA-N 1 1 382.302 3.808 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000541610572 873946726 /nfs/dbraw/zinc/94/67/26/873946726.db2.gz ORKXZIFRFQWWDU-UXLLHSPISA-N 1 1 385.439 3.789 20 5 GHBDMO C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000448956433 874254969 /nfs/dbraw/zinc/25/49/69/874254969.db2.gz ODZGRGFQNSARMV-CYBMUJFWSA-N 1 1 395.381 3.864 20 5 GHBDMO C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000448956434 874255000 /nfs/dbraw/zinc/25/50/00/874255000.db2.gz ODZGRGFQNSARMV-ZDUSSCGKSA-N 1 1 395.381 3.864 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775847019 874401306 /nfs/dbraw/zinc/40/13/06/874401306.db2.gz XXVFHDWJZKVNDN-KLIQENQMSA-N 1 1 390.480 3.603 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775847019 874401319 /nfs/dbraw/zinc/40/13/19/874401319.db2.gz XXVFHDWJZKVNDN-KLIQENQMSA-N 1 1 390.480 3.603 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000770327299 874601570 /nfs/dbraw/zinc/60/15/70/874601570.db2.gz RZBOTCORUPNSRN-WBMJQRKESA-N 1 1 379.258 3.637 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000770327299 874601575 /nfs/dbraw/zinc/60/15/75/874601575.db2.gz RZBOTCORUPNSRN-WBMJQRKESA-N 1 1 379.258 3.637 20 5 GHBDMO COc1ccc([C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000449220690 874610569 /nfs/dbraw/zinc/61/05/69/874610569.db2.gz QTHCRWPDPIPVON-YWZLYKJASA-N 1 1 380.448 3.647 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464843105 874616034 /nfs/dbraw/zinc/61/60/34/874616034.db2.gz PZWSLLKIHXECRV-MSOLQXFVSA-N 1 1 396.491 3.518 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+](CCc2cccc(F)c2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000464875523 874699339 /nfs/dbraw/zinc/69/93/39/874699339.db2.gz DHROLWUQFWVGRK-UHFFFAOYSA-N 1 1 385.439 3.820 20 5 GHBDMO COc1cc(C[N@@H+](C)CC(C)(C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000449415554 874811338 /nfs/dbraw/zinc/81/13/38/874811338.db2.gz OSDVSVKKAJTDBG-UHFFFAOYSA-N 1 1 388.464 3.633 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000464983871 874867109 /nfs/dbraw/zinc/86/71/09/874867109.db2.gz NDCCFBBWFKHNIK-IBGZPJMESA-N 1 1 395.503 3.853 20 5 GHBDMO Cn1cc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449517201 874986744 /nfs/dbraw/zinc/98/67/44/874986744.db2.gz JHTISCQUAWLOFT-UXHICEINSA-N 1 1 396.491 3.776 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)c1 ZINC000465197260 875308035 /nfs/dbraw/zinc/30/80/35/875308035.db2.gz VFHBIIJAMXQCPF-MRXNPFEDSA-N 1 1 383.448 3.876 20 5 GHBDMO COc1cc(Br)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000105487667 875311184 /nfs/dbraw/zinc/31/11/84/875311184.db2.gz MQLNDXMDGQHOPB-UHFFFAOYSA-N 1 1 395.253 3.973 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000192622086 882970509 /nfs/dbraw/zinc/97/05/09/882970509.db2.gz PJYCLBBRTGQVFI-UHFFFAOYSA-N 1 1 383.452 3.957 20 5 GHBDMO Cc1cc(Br)cn2cc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)nc12 ZINC001201930163 875924054 /nfs/dbraw/zinc/92/40/54/875924054.db2.gz VZWFNEJTAWHRPG-UHFFFAOYSA-N 1 1 375.226 3.603 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3nccc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000450273109 876173430 /nfs/dbraw/zinc/17/34/30/876173430.db2.gz APNBBBYPAYVHHL-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3nccc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000450273109 876173435 /nfs/dbraw/zinc/17/34/35/876173435.db2.gz APNBBBYPAYVHHL-MRXNPFEDSA-N 1 1 392.459 3.976 20 5 GHBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000537659257 883007546 /nfs/dbraw/zinc/00/75/46/883007546.db2.gz RSVXLVMKHZUDRR-OAHLLOKOSA-N 1 1 387.505 3.868 20 5 GHBDMO Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000609975744 877236568 /nfs/dbraw/zinc/23/65/68/877236568.db2.gz OMVRDYQBRBRDCD-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000609975744 877236584 /nfs/dbraw/zinc/23/65/84/877236584.db2.gz OMVRDYQBRBRDCD-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610060288 877343431 /nfs/dbraw/zinc/34/34/31/877343431.db2.gz OTUGKDMNUMZRLQ-LJQANCHMSA-N 1 1 381.476 3.653 20 5 GHBDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000787340292 877362753 /nfs/dbraw/zinc/36/27/53/877362753.db2.gz BVXZVBASCWSJGI-KRWDZBQOSA-N 1 1 384.354 3.658 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451304699 877780910 /nfs/dbraw/zinc/78/09/10/877780910.db2.gz IZNFBHHBTCHGOD-INIZCTEOSA-N 1 1 384.354 3.836 20 5 GHBDMO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852515022 878388228 /nfs/dbraw/zinc/38/82/28/878388228.db2.gz OPFZAUMSFHVTNW-JKSUJKDBSA-N 1 1 385.247 3.600 20 5 GHBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852515022 878388247 /nfs/dbraw/zinc/38/82/47/878388247.db2.gz OPFZAUMSFHVTNW-JKSUJKDBSA-N 1 1 385.247 3.600 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cccc1[N+](=O)[O-] ZINC000537853464 878432057 /nfs/dbraw/zinc/43/20/57/878432057.db2.gz KYZMJYNPWBPRLZ-HNNXBMFYSA-N 1 1 381.354 3.970 20 5 GHBDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000789355741 878843489 /nfs/dbraw/zinc/84/34/89/878843489.db2.gz BHAUXJUDPYNQDC-OAHLLOKOSA-N 1 1 385.420 3.623 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000795690563 912410724 /nfs/dbraw/zinc/41/07/24/912410724.db2.gz AQABPFUZQZCKJS-QHAWAJNXSA-N 1 1 392.459 3.715 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000795690552 912410907 /nfs/dbraw/zinc/41/09/07/912410907.db2.gz AQABPFUZQZCKJS-HKBOAZHASA-N 1 1 392.459 3.715 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000068880109 879143728 /nfs/dbraw/zinc/14/37/28/879143728.db2.gz UFOCRMRIDSEVSR-GOSISDBHSA-N 1 1 379.420 3.657 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000068880109 879143737 /nfs/dbraw/zinc/14/37/37/879143737.db2.gz UFOCRMRIDSEVSR-GOSISDBHSA-N 1 1 379.420 3.657 20 5 GHBDMO Cc1nn(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000853610158 879163756 /nfs/dbraw/zinc/16/37/56/879163756.db2.gz YHCPQANAOIRIRV-UHFFFAOYSA-N 1 1 391.431 3.546 20 5 GHBDMO C[NH+]1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2ccccc2)CC1 ZINC000068910744 879240001 /nfs/dbraw/zinc/24/00/01/879240001.db2.gz IMFQVBRJEAODEK-OAQYLSRUSA-N 1 1 391.475 3.544 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1Cc1ccccc1 ZINC000531189271 879281147 /nfs/dbraw/zinc/28/11/47/879281147.db2.gz GFUOMORHORFRHQ-DOTOQJQBSA-N 1 1 392.459 3.859 20 5 GHBDMO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000130863732 879484414 /nfs/dbraw/zinc/48/44/14/879484414.db2.gz CPDNLHJEDBKBBX-SRGMZFCMSA-N 1 1 380.441 3.725 20 5 GHBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000130863732 879484421 /nfs/dbraw/zinc/48/44/21/879484421.db2.gz CPDNLHJEDBKBBX-SRGMZFCMSA-N 1 1 380.441 3.725 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1F ZINC000854254067 879664724 /nfs/dbraw/zinc/66/47/24/879664724.db2.gz ZALWBIDBUQPZOM-CQSZACIVSA-N 1 1 397.809 3.868 20 5 GHBDMO C[N@@H+](CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000790482788 879756475 /nfs/dbraw/zinc/75/64/75/879756475.db2.gz OMBVGAZJZUKDMN-UHFFFAOYSA-N 1 1 393.846 3.568 20 5 GHBDMO CCc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461444893 879830459 /nfs/dbraw/zinc/83/04/59/879830459.db2.gz FRMHXUSRLVWKJQ-RTWAWAEBSA-N 1 1 393.487 3.751 20 5 GHBDMO C[C@H]1[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000494025232 879834282 /nfs/dbraw/zinc/83/42/82/879834282.db2.gz AIDWTXQYPULMCF-LAUBAEHRSA-N 1 1 396.491 3.566 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000494039138 879874135 /nfs/dbraw/zinc/87/41/35/879874135.db2.gz RNSKGLGIUYWJLA-WMLDXEAASA-N 1 1 385.489 3.710 20 5 GHBDMO COc1cc2c(cc1F)C[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000538637738 879878283 /nfs/dbraw/zinc/87/82/83/879878283.db2.gz OIQUDMUGFZFOBJ-UHFFFAOYSA-N 1 1 397.406 3.998 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC000790834444 880034206 /nfs/dbraw/zinc/03/42/06/880034206.db2.gz MLFGMDWHWCTUBM-DNVCBOLYSA-N 1 1 385.439 3.683 20 5 GHBDMO O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452855497 880151400 /nfs/dbraw/zinc/15/14/00/880151400.db2.gz PILJWNZDZCIJKX-TZIWHRDSSA-N 1 1 379.460 3.575 20 5 GHBDMO O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452855497 880151406 /nfs/dbraw/zinc/15/14/06/880151406.db2.gz PILJWNZDZCIJKX-TZIWHRDSSA-N 1 1 379.460 3.575 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000520262433 880526708 /nfs/dbraw/zinc/52/67/08/880526708.db2.gz CBOIOSLRISGUEB-QGZVFWFLSA-N 1 1 398.459 3.925 20 5 GHBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n1)OC2 ZINC000453174830 880541425 /nfs/dbraw/zinc/54/14/25/880541425.db2.gz AVGOXDOEYRZCCO-XJKSGUPXSA-N 1 1 398.341 3.589 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[NH+]3CCC(C4CCOCC4)CC3)c2c(Cl)c1 ZINC000774640494 912590668 /nfs/dbraw/zinc/59/06/68/912590668.db2.gz TZQMXJUWQNVWHT-UHFFFAOYSA-N 1 1 378.860 3.694 20 5 GHBDMO COc1ccc(C[N@H+](CCO)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001183500642 912595574 /nfs/dbraw/zinc/59/55/74/912595574.db2.gz RRRAUKJPUKOOEA-UHFFFAOYSA-N 1 1 384.354 3.617 20 5 GHBDMO COc1ccc(C[N@@H+](CCO)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001183500642 912595591 /nfs/dbraw/zinc/59/55/91/912595591.db2.gz RRRAUKJPUKOOEA-UHFFFAOYSA-N 1 1 384.354 3.617 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000855734727 880706650 /nfs/dbraw/zinc/70/66/50/880706650.db2.gz GTWWUHFELCUTND-QGZVFWFLSA-N 1 1 387.867 3.637 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000499110943 881158276 /nfs/dbraw/zinc/15/82/76/881158276.db2.gz MAQRTRROKOBYDS-FXAWDEMLSA-N 1 1 396.491 3.533 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000499110943 881158278 /nfs/dbraw/zinc/15/82/78/881158278.db2.gz MAQRTRROKOBYDS-FXAWDEMLSA-N 1 1 396.491 3.533 20 5 GHBDMO CNc1ccc(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000532129986 881200209 /nfs/dbraw/zinc/20/02/09/881200209.db2.gz VLIAKSSVRFNZSL-JIPZTSHUSA-N 1 1 396.491 3.523 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c2cccnc21 ZINC000556967593 881239684 /nfs/dbraw/zinc/23/96/84/881239684.db2.gz MQNDSTYQNCVEND-IBGZPJMESA-N 1 1 378.432 3.628 20 5 GHBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)N1CCCC1 ZINC000537626732 881333375 /nfs/dbraw/zinc/33/33/75/881333375.db2.gz DFSPNMKISDNHTC-MRXNPFEDSA-N 1 1 383.448 3.689 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804813309 883376297 /nfs/dbraw/zinc/37/62/97/883376297.db2.gz XBXWKTQOUVRBNP-JOCHJYFZSA-N 1 1 381.476 3.844 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000127483080 883434311 /nfs/dbraw/zinc/43/43/11/883434311.db2.gz MTNGIIPZUPIJPT-APWZRJJASA-N 1 1 396.491 3.762 20 5 GHBDMO O=c1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000286408162 912733429 /nfs/dbraw/zinc/73/34/29/912733429.db2.gz HTCNQNVOPCJNKS-WBVHZDCISA-N 1 1 391.389 3.939 20 5 GHBDMO CC(C)(C)OC(=O)N1CC(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000859219152 883672888 /nfs/dbraw/zinc/67/28/88/883672888.db2.gz QOQWGUANASGCEQ-UHFFFAOYSA-N 1 1 375.469 3.816 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1)C1CC1 ZINC000609884755 883771657 /nfs/dbraw/zinc/77/16/57/883771657.db2.gz DAJZYEWGAPYQBW-UHFFFAOYSA-N 1 1 397.431 3.618 20 5 GHBDMO O=C(C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000859929873 884180339 /nfs/dbraw/zinc/18/03/39/884180339.db2.gz MUALKQBEOFKSFV-BHYGNILZSA-N 1 1 385.851 3.922 20 5 GHBDMO O=C(C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000859929873 884180346 /nfs/dbraw/zinc/18/03/46/884180346.db2.gz MUALKQBEOFKSFV-BHYGNILZSA-N 1 1 385.851 3.922 20 5 GHBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@@H]2CCC[C@@H]21 ZINC000859953132 884202616 /nfs/dbraw/zinc/20/26/16/884202616.db2.gz KCNFQZQSCPJYAX-MGPQQGTHSA-N 1 1 397.269 3.521 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@@H]2CCC[C@@H]21 ZINC000859953132 884202636 /nfs/dbraw/zinc/20/26/36/884202636.db2.gz KCNFQZQSCPJYAX-MGPQQGTHSA-N 1 1 397.269 3.521 20 5 GHBDMO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001170501121 884455387 /nfs/dbraw/zinc/45/53/87/884455387.db2.gz MWFONNLWOSKNNK-HNNXBMFYSA-N 1 1 375.856 3.838 20 5 GHBDMO C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+]1CCCC[C@@H]1C ZINC000498483194 884558273 /nfs/dbraw/zinc/55/82/73/884558273.db2.gz XJVBRDGFYRBFQO-KBPBESRZSA-N 1 1 388.493 3.711 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000898071327 884584030 /nfs/dbraw/zinc/58/40/30/884584030.db2.gz JBAGYHQVSIPQAI-AWEZNQCLSA-N 1 1 383.477 3.516 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(Nc4ccc(F)cc4)CC3)n2)c1 ZINC000170650894 884941455 /nfs/dbraw/zinc/94/14/55/884941455.db2.gz RFEYNTBEHRAIKT-UHFFFAOYSA-N 1 1 397.410 3.860 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248906206 885187595 /nfs/dbraw/zinc/18/75/95/885187595.db2.gz UWDXEAGOPRZLDG-CRAIPNDOSA-N 1 1 382.464 3.854 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001127483889 885484738 /nfs/dbraw/zinc/48/47/38/885484738.db2.gz GCJQAXSOSWUELA-HXUWFJFHSA-N 1 1 397.475 3.583 20 5 GHBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000495369170 885541320 /nfs/dbraw/zinc/54/13/20/885541320.db2.gz ONJCNBLOHDYCLK-ABAIWWIYSA-N 1 1 384.274 3.806 20 5 GHBDMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000067569786 885573962 /nfs/dbraw/zinc/57/39/62/885573962.db2.gz CZPWJCCGONHMNA-MJGOQNOKSA-N 1 1 396.491 3.867 20 5 GHBDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001131027678 885644636 /nfs/dbraw/zinc/64/46/36/885644636.db2.gz ONCSFXGZZWJXLM-OAQYLSRUSA-N 1 1 381.476 3.886 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OC(F)F)c1 ZINC000171128021 885738331 /nfs/dbraw/zinc/73/83/31/885738331.db2.gz LXGWUILDEVXOAH-LLVKDONJSA-N 1 1 380.347 3.914 20 5 GHBDMO CCN1CC[NH+](CCCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000915108924 885756405 /nfs/dbraw/zinc/75/64/05/885756405.db2.gz NFPYRABMNNRXDQ-UHFFFAOYSA-N 1 1 394.825 3.707 20 5 GHBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(C)cccc1C ZINC000130142310 885943729 /nfs/dbraw/zinc/94/37/29/885943729.db2.gz FHERBMWKFLEKPE-UHFFFAOYSA-N 1 1 385.464 3.941 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N(C)[C@H]3CC[N@H+](C4CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000498907530 886079229 /nfs/dbraw/zinc/07/92/29/886079229.db2.gz FDAJLWNJOXUDPZ-IBGZPJMESA-N 1 1 394.475 3.828 20 5 GHBDMO CC(C)[NH+]1CC(Nc2nnc(-c3ccccc3[N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001168315396 886101373 /nfs/dbraw/zinc/10/13/73/886101373.db2.gz MNPDHQWARUSJBI-UHFFFAOYSA-N 1 1 381.358 3.575 20 5 GHBDMO O=C(CC[NH2+][C@H](c1nccs1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000195036328 886151443 /nfs/dbraw/zinc/15/14/43/886151443.db2.gz WWAMNMSUDWBRMO-SFHVURJKSA-N 1 1 382.445 3.759 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000556870601 886420639 /nfs/dbraw/zinc/42/06/39/886420639.db2.gz PMOKPWUABLMAMQ-FQEVSTJZSA-N 1 1 390.447 3.516 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556872859 886432194 /nfs/dbraw/zinc/43/21/94/886432194.db2.gz RPCJSVTZMSYDJL-QKLQHJQFSA-N 1 1 399.539 3.764 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NCc3ccccc3C[NH+]3CCOCC3)ccc2c1 ZINC000301079614 886514100 /nfs/dbraw/zinc/51/41/00/886514100.db2.gz KFXJHYFOEIRNFO-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO CC[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000032446308 886544979 /nfs/dbraw/zinc/54/49/79/886544979.db2.gz YRFQPMUVUJRGAR-GOSISDBHSA-N 1 1 399.516 3.883 20 5 GHBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000443959291 887154754 /nfs/dbraw/zinc/15/47/54/887154754.db2.gz HRJQNGSIXNXKCC-GOSISDBHSA-N 1 1 390.443 3.943 20 5 GHBDMO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000809569000 887548444 /nfs/dbraw/zinc/54/84/44/887548444.db2.gz KKCCAABZDZVILP-UHFFFAOYSA-N 1 1 375.469 3.864 20 5 GHBDMO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000809569000 887548452 /nfs/dbraw/zinc/54/84/52/887548452.db2.gz KKCCAABZDZVILP-UHFFFAOYSA-N 1 1 375.469 3.864 20 5 GHBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000809696042 887674127 /nfs/dbraw/zinc/67/41/27/887674127.db2.gz BTBNNULLMHYBMV-KRWDZBQOSA-N 1 1 398.337 3.782 20 5 GHBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000809696042 887674134 /nfs/dbraw/zinc/67/41/34/887674134.db2.gz BTBNNULLMHYBMV-KRWDZBQOSA-N 1 1 398.337 3.782 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]2C1 ZINC000796031692 913186828 /nfs/dbraw/zinc/18/68/28/913186828.db2.gz QUBCYBXLQDILKH-OKILXGFUSA-N 1 1 381.860 3.547 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]2C1 ZINC000796031692 913186837 /nfs/dbraw/zinc/18/68/37/913186837.db2.gz QUBCYBXLQDILKH-OKILXGFUSA-N 1 1 381.860 3.547 20 5 GHBDMO CCc1cc(NCCc2cn3c([nH+]2)CCCC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301117994 888476259 /nfs/dbraw/zinc/47/62/59/888476259.db2.gz ZNQKZOTUCWYJAC-UHFFFAOYSA-N 1 1 392.463 3.802 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301136709 888836840 /nfs/dbraw/zinc/83/68/40/888836840.db2.gz ALAVQHLKSSYGQH-UHFFFAOYSA-N 1 1 381.436 3.696 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCSCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000866542737 888925928 /nfs/dbraw/zinc/92/59/28/888925928.db2.gz MDGRBVOLRNADEC-CQSZACIVSA-N 1 1 388.415 3.693 20 5 GHBDMO C[C@@H]1CCCN(c2ccc(C(=O)O[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000810847191 888938626 /nfs/dbraw/zinc/93/86/26/888938626.db2.gz MWTZXPMYJVGWCJ-KBAYOESNSA-N 1 1 387.480 3.615 20 5 GHBDMO CNc1ccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000532798849 888965676 /nfs/dbraw/zinc/96/56/76/888965676.db2.gz QAJMQSHJJYZKOI-SJLPKXTDSA-N 1 1 396.491 3.667 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000496807584 889089225 /nfs/dbraw/zinc/08/92/25/889089225.db2.gz ZAQJZRUHQOOFMF-UHFFFAOYSA-N 1 1 383.448 3.633 20 5 GHBDMO C[C@]([NH3+])(C(=O)Nc1cccc(C2SCCS2)c1)c1cccc([N+](=O)[O-])c1 ZINC000867943922 889233057 /nfs/dbraw/zinc/23/30/57/889233057.db2.gz KIUGFSRRCJQYRC-GOSISDBHSA-N 1 1 389.502 3.886 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000154110800 889284341 /nfs/dbraw/zinc/28/43/41/889284341.db2.gz ZQCXOMPHCNQQKL-CQSZACIVSA-N 1 1 377.510 3.701 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1F)C(C)C ZINC000532928950 889301312 /nfs/dbraw/zinc/30/13/12/889301312.db2.gz HPUQELCANQEMJX-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000454758785 889697975 /nfs/dbraw/zinc/69/79/75/889697975.db2.gz LAURCDYBYJXRIQ-QZTJIDSGSA-N 1 1 396.491 3.819 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)cc1 ZINC001184680634 913385312 /nfs/dbraw/zinc/38/53/12/913385312.db2.gz AOBCCDXPQLUSQF-UHFFFAOYSA-N 1 1 380.492 3.889 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCc2ccccc21 ZINC000533256444 890109098 /nfs/dbraw/zinc/10/90/98/890109098.db2.gz XXMLMOZTZYRBQA-QGZVFWFLSA-N 1 1 397.431 3.662 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000533297970 890238154 /nfs/dbraw/zinc/23/81/54/890238154.db2.gz RHASGYKTIKNLMQ-YQQAZPJKSA-N 1 1 383.448 3.808 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455094601 890323983 /nfs/dbraw/zinc/32/39/83/890323983.db2.gz OOBGODNVNGXWGP-BXWFABGCSA-N 1 1 382.464 3.618 20 5 GHBDMO CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000533407161 890470640 /nfs/dbraw/zinc/47/06/40/890470640.db2.gz XVRFXHQZSPRPHP-PKOBYXMFSA-N 1 1 396.491 3.691 20 5 GHBDMO COc1ccc2c(c1)CCC[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000533409722 890483810 /nfs/dbraw/zinc/48/38/10/890483810.db2.gz XOIBEGISUFREPI-HNNXBMFYSA-N 1 1 383.448 3.687 20 5 GHBDMO COc1ccc2c(c1)CCC[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000533409722 890483819 /nfs/dbraw/zinc/48/38/19/890483819.db2.gz XOIBEGISUFREPI-HNNXBMFYSA-N 1 1 383.448 3.687 20 5 GHBDMO CCN1CC[NH+](Cc2ccccc2CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001184831393 913469549 /nfs/dbraw/zinc/46/95/49/913469549.db2.gz VJXDQTRWCYKAQX-UHFFFAOYSA-N 1 1 388.899 3.998 20 5 GHBDMO Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)co2)cc1 ZINC000533516297 890735869 /nfs/dbraw/zinc/73/58/69/890735869.db2.gz KHEOPYWGFLIKIU-MRXNPFEDSA-N 1 1 379.420 3.640 20 5 GHBDMO Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)co2)cc1 ZINC000533516297 890735874 /nfs/dbraw/zinc/73/58/74/890735874.db2.gz KHEOPYWGFLIKIU-MRXNPFEDSA-N 1 1 379.420 3.640 20 5 GHBDMO COc1c(C)c[nH+]c(CN2CCC(N(C)c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000301198124 890855870 /nfs/dbraw/zinc/85/58/70/890855870.db2.gz OKBPPELKDUEEMD-UHFFFAOYSA-N 1 1 384.480 3.716 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000812840266 891029231 /nfs/dbraw/zinc/02/92/31/891029231.db2.gz GZBDZXNDQLHGPT-QUIPCFFLSA-N 1 1 377.441 3.655 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850245 891043544 /nfs/dbraw/zinc/04/35/44/891043544.db2.gz SPEFSPKVOKIKFA-KKSFZXQISA-N 1 1 385.464 3.676 20 5 GHBDMO COc1cc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])ccc1OCCO ZINC000872026907 891124304 /nfs/dbraw/zinc/12/43/04/891124304.db2.gz IWJWIRDRGBHVJW-STQMWFEESA-N 1 1 378.400 3.525 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000813171614 891329259 /nfs/dbraw/zinc/32/92/59/891329259.db2.gz NCZFVARQXLWSPB-ZCNNSNEGSA-N 1 1 384.407 3.655 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000813171614 891329277 /nfs/dbraw/zinc/32/92/77/891329277.db2.gz NCZFVARQXLWSPB-ZCNNSNEGSA-N 1 1 384.407 3.655 20 5 GHBDMO CCOCCC1(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCCC1 ZINC000813172368 891335017 /nfs/dbraw/zinc/33/50/17/891335017.db2.gz GJOHUCRQVRCMDE-IBGZPJMESA-N 1 1 390.480 3.699 20 5 GHBDMO CCOCCC1(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCCC1 ZINC000813172368 891335025 /nfs/dbraw/zinc/33/50/25/891335025.db2.gz GJOHUCRQVRCMDE-IBGZPJMESA-N 1 1 390.480 3.699 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2sccc2[C@H]1C ZINC000026335652 891349281 /nfs/dbraw/zinc/34/92/81/891349281.db2.gz POCBVKYKDHQECH-GFCCVEGCSA-N 1 1 375.450 3.613 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813421931 891636024 /nfs/dbraw/zinc/63/60/24/891636024.db2.gz ZIMGSBZQJIVRJW-TUAOUCFPSA-N 1 1 388.295 3.998 20 5 GHBDMO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475992375 891907619 /nfs/dbraw/zinc/90/76/19/891907619.db2.gz VTFHGDNEDSYYBY-HNNXBMFYSA-N 1 1 383.448 3.605 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475992375 891907630 /nfs/dbraw/zinc/90/76/30/891907630.db2.gz VTFHGDNEDSYYBY-HNNXBMFYSA-N 1 1 383.448 3.605 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000170687534 892389820 /nfs/dbraw/zinc/38/98/20/892389820.db2.gz LMWPZMDPJXKQRW-LJQANCHMSA-N 1 1 396.491 3.979 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001134556122 893076146 /nfs/dbraw/zinc/07/61/46/893076146.db2.gz NIPGTAUZVYSPRE-INIZCTEOSA-N 1 1 379.526 3.947 20 5 GHBDMO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000774845048 913745983 /nfs/dbraw/zinc/74/59/83/913745983.db2.gz HCWYDRBOJJZUDY-UHFFFAOYSA-N 1 1 376.457 3.591 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001134764019 893277940 /nfs/dbraw/zinc/27/79/40/893277940.db2.gz CVVKPXQJSREAJC-KRWDZBQOSA-N 1 1 385.489 3.960 20 5 GHBDMO O=C1C[C@]2(CN1)CCC[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C2 ZINC000536661243 893467215 /nfs/dbraw/zinc/46/72/15/893467215.db2.gz NYPJKZWMFURLNM-IBGZPJMESA-N 1 1 389.839 3.610 20 5 GHBDMO Cn1cc[nH+]c1[C@@H]1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877481177 893636893 /nfs/dbraw/zinc/63/68/93/893636893.db2.gz XHATUVFTPCMDPI-SNVBAGLBSA-N 1 1 385.287 3.532 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878105609 894021942 /nfs/dbraw/zinc/02/19/42/894021942.db2.gz ACVZYHCLXOGAKA-IRXDYDNUSA-N 1 1 399.495 3.731 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001185402987 913840832 /nfs/dbraw/zinc/84/08/32/913840832.db2.gz FQDRVDDEOGUTDM-CQSZACIVSA-N 1 1 397.866 3.902 20 5 GHBDMO O=C(N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC001135192333 894175293 /nfs/dbraw/zinc/17/52/93/894175293.db2.gz OMMBOTOEUOAMBJ-MRXNPFEDSA-N 1 1 399.394 3.593 20 5 GHBDMO O=C(N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC001135192333 894175296 /nfs/dbraw/zinc/17/52/96/894175296.db2.gz OMMBOTOEUOAMBJ-MRXNPFEDSA-N 1 1 399.394 3.593 20 5 GHBDMO C[C@@H](C[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)OC(C)(C)C ZINC000459817492 894230714 /nfs/dbraw/zinc/23/07/14/894230714.db2.gz XLIQWNSTPZBFHJ-ZDUSSCGKSA-N 1 1 375.425 3.659 20 5 GHBDMO C[C@@H](C[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)OC(C)(C)C ZINC000459817492 894230727 /nfs/dbraw/zinc/23/07/27/894230727.db2.gz XLIQWNSTPZBFHJ-ZDUSSCGKSA-N 1 1 375.425 3.659 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC001135521524 894727641 /nfs/dbraw/zinc/72/76/41/894727641.db2.gz QMRLOXMMNOHOCM-UHFFFAOYSA-N 1 1 397.475 3.648 20 5 GHBDMO COc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000564402870 894939648 /nfs/dbraw/zinc/93/96/48/894939648.db2.gz ARZWGORQSKLDMK-UXHICEINSA-N 1 1 381.476 3.557 20 5 GHBDMO C[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000565307924 895521792 /nfs/dbraw/zinc/52/17/92/895521792.db2.gz OZJMKYQNKVYJHQ-YCRPNKLZSA-N 1 1 385.439 3.618 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000880249579 895593306 /nfs/dbraw/zinc/59/33/06/895593306.db2.gz XBFCSZNCTVFDAO-MRXNPFEDSA-N 1 1 393.447 3.524 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000565444617 895630482 /nfs/dbraw/zinc/63/04/82/895630482.db2.gz LBESVWDUGQEBIP-AEFFLSMTSA-N 1 1 382.464 3.996 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000041895232 896894885 /nfs/dbraw/zinc/89/48/85/896894885.db2.gz FKXRJOWBJOLKKD-UHFFFAOYSA-N 1 1 381.432 3.727 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289338533 914147344 /nfs/dbraw/zinc/14/73/44/914147344.db2.gz LOMPUCIHCPKZTG-WMLDXEAASA-N 1 1 379.420 3.980 20 5 GHBDMO C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001185949395 914188704 /nfs/dbraw/zinc/18/87/04/914188704.db2.gz PUEAGTBLPGNMBD-JSGCOSHPSA-N 1 1 397.401 3.670 20 5 GHBDMO Cc1nn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000569174528 898390897 /nfs/dbraw/zinc/39/08/97/898390897.db2.gz YMZSSWIKBPAZNK-LJQANCHMSA-N 1 1 380.448 3.544 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000569859202 898989646 /nfs/dbraw/zinc/98/96/46/898989646.db2.gz OEEOMTSNIFFMRW-UHFFFAOYSA-N 1 1 398.507 3.819 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823945076 899327157 /nfs/dbraw/zinc/32/71/57/899327157.db2.gz KPSNFMFIFPAKPG-IBGZPJMESA-N 1 1 397.479 3.599 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823986723 899341967 /nfs/dbraw/zinc/34/19/67/899341967.db2.gz LPNYBDAMALLZAG-QGZVFWFLSA-N 1 1 397.479 3.553 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001136811612 899353945 /nfs/dbraw/zinc/35/39/45/899353945.db2.gz KMAUBWVWGMTNDE-JKSUJKDBSA-N 1 1 377.460 3.769 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)o2)cc1 ZINC000289771679 914339373 /nfs/dbraw/zinc/33/93/73/914339373.db2.gz RIAJGPCYESSCEM-BBRMVZONSA-N 1 1 384.354 3.848 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)o2)c1 ZINC000119846521 899693508 /nfs/dbraw/zinc/69/35/08/899693508.db2.gz VOLQJOYYJLTQDC-MRXNPFEDSA-N 1 1 393.447 3.772 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000570984052 899701634 /nfs/dbraw/zinc/70/16/34/899701634.db2.gz BDZXKHNHMKSRRI-SJLPKXTDSA-N 1 1 397.475 3.885 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1Br ZINC000824697062 899746985 /nfs/dbraw/zinc/74/69/85/899746985.db2.gz YJAWUYNJZYGFMK-FRFSOERESA-N 1 1 383.286 3.873 20 5 GHBDMO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000572428682 900183908 /nfs/dbraw/zinc/18/39/08/900183908.db2.gz IAVKGQYQZRZKJZ-SFHVURJKSA-N 1 1 381.476 3.653 20 5 GHBDMO CNC(=O)c1ccc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000573413690 900505451 /nfs/dbraw/zinc/50/54/51/900505451.db2.gz BHPZPOVWPIZGAG-GOSISDBHSA-N 1 1 396.491 3.669 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136739570 900746893 /nfs/dbraw/zinc/74/68/93/900746893.db2.gz AAAUBCNJKNHCLI-ZDUSSCGKSA-N 1 1 393.896 3.952 20 5 GHBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000575150952 901140666 /nfs/dbraw/zinc/14/06/66/901140666.db2.gz UBESPAMAFNQSKY-INIZCTEOSA-N 1 1 388.493 3.665 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000070854735 901157117 /nfs/dbraw/zinc/15/71/17/901157117.db2.gz IECXTUMZFOVYPL-GFCCVEGCSA-N 1 1 391.374 3.519 20 5 GHBDMO CC(C)c1[nH+]ccn1CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000575204181 901157327 /nfs/dbraw/zinc/15/73/27/901157327.db2.gz FXOIKJXNTFWSCM-UHFFFAOYSA-N 1 1 381.230 3.706 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000576243367 901860098 /nfs/dbraw/zinc/86/00/98/901860098.db2.gz DUQNKIUYHFMORE-OAHLLOKOSA-N 1 1 399.274 3.816 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778942457 902024731 /nfs/dbraw/zinc/02/47/31/902024731.db2.gz DVBGQJHEEBEJTA-MRXNPFEDSA-N 1 1 393.484 3.682 20 5 GHBDMO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778943054 902042666 /nfs/dbraw/zinc/04/26/66/902042666.db2.gz OONHVPABIQUPKK-GDBMZVCRSA-N 1 1 393.484 3.871 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778943054 902042671 /nfs/dbraw/zinc/04/26/71/902042671.db2.gz OONHVPABIQUPKK-GDBMZVCRSA-N 1 1 393.484 3.871 20 5 GHBDMO Cc1cccc(NC2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000152978846 904316268 /nfs/dbraw/zinc/31/62/68/904316268.db2.gz AUDNNOYEESGYJY-UHFFFAOYSA-N 1 1 383.448 3.846 20 5 GHBDMO Cc1c[nH+]cn1C1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000579154258 904383245 /nfs/dbraw/zinc/38/32/45/904383245.db2.gz ZVUFMBBOMJEGTA-UHFFFAOYSA-N 1 1 393.447 3.915 20 5 GHBDMO C[N@H+]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)[C@H](c2ccccc2)C1 ZINC001186815065 914829464 /nfs/dbraw/zinc/82/94/64/914829464.db2.gz RHDBKCWIMKWOMD-HIFRSBDPSA-N 1 1 391.269 3.510 20 5 GHBDMO C[N@H+](CCO)Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1Cl ZINC000773312426 904701345 /nfs/dbraw/zinc/70/13/45/904701345.db2.gz AFDJRBUOCPYBPD-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO C[N@@H+](CCO)Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1Cl ZINC000773312426 904701352 /nfs/dbraw/zinc/70/13/52/904701352.db2.gz AFDJRBUOCPYBPD-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000889884054 904819058 /nfs/dbraw/zinc/81/90/58/904819058.db2.gz JCCSAZCEYVGSTP-MJGOQNOKSA-N 1 1 381.476 3.852 20 5 GHBDMO Cc1c(C[N@H+](C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001171827222 905041899 /nfs/dbraw/zinc/04/18/99/905041899.db2.gz JQDZCSOGTRPZGC-UHFFFAOYSA-N 1 1 375.469 3.877 20 5 GHBDMO Cc1c(C[N@@H+](C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001171827222 905041917 /nfs/dbraw/zinc/04/19/17/905041917.db2.gz JQDZCSOGTRPZGC-UHFFFAOYSA-N 1 1 375.469 3.877 20 5 GHBDMO C[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC[C@]1(O)C(F)(F)F ZINC001172908556 905935299 /nfs/dbraw/zinc/93/52/99/905935299.db2.gz NAWMXAWRIKRCJA-MZMPZRCHSA-N 1 1 386.414 3.868 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2nn(CC)cc21 ZINC001172908302 905935800 /nfs/dbraw/zinc/93/58/00/905935800.db2.gz NEEKGMLWQFVLIN-MOPGFXCFSA-N 1 1 398.507 3.695 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2nn(CC)cc21 ZINC001172908302 905935822 /nfs/dbraw/zinc/93/58/22/905935822.db2.gz NEEKGMLWQFVLIN-MOPGFXCFSA-N 1 1 398.507 3.695 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@]3(C[C@@H](OCC4CC4)CO3)C1)CC2 ZINC001172907989 905935887 /nfs/dbraw/zinc/93/58/87/905935887.db2.gz ABJQZNAWYGVFRT-CEMLEFRQSA-N 1 1 386.492 3.502 20 5 GHBDMO C[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC[C@@]1(O)C(F)(F)F ZINC001172908729 905937741 /nfs/dbraw/zinc/93/77/41/905937741.db2.gz NAWMXAWRIKRCJA-SKDZVZGDSA-N 1 1 386.414 3.868 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172915493 905986614 /nfs/dbraw/zinc/98/66/14/905986614.db2.gz NHBGHPYZFROFND-MAUKXSAKSA-N 1 1 389.496 3.689 20 5 GHBDMO CC(C)OCc1ncn2c1C[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CCC2 ZINC001172911091 906019007 /nfs/dbraw/zinc/01/90/07/906019007.db2.gz RILOVTXUNPVITI-LJQANCHMSA-N 1 1 398.507 3.870 20 5 GHBDMO CC(C)C(=O)N1CCC[C@]12CC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172912187 906021505 /nfs/dbraw/zinc/02/15/05/906021505.db2.gz YPIQGPONBZEKNB-DENIHFKCSA-N 1 1 385.508 3.565 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)nc1 ZINC001212696513 906067431 /nfs/dbraw/zinc/06/74/31/906067431.db2.gz SUIRBFDXJIUJGE-QGZVFWFLSA-N 1 1 392.350 3.578 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCN(c3cccc(C)c3)CC2)c1F ZINC001173181128 906259690 /nfs/dbraw/zinc/25/96/90/906259690.db2.gz BPVDDNVJSUZMGL-MRXNPFEDSA-N 1 1 387.455 3.804 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1F ZINC001173190962 906273975 /nfs/dbraw/zinc/27/39/75/906273975.db2.gz YMPIEJNZYWPTSJ-HNAYVOBHSA-N 1 1 387.455 3.662 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)c1F ZINC001173192862 906274790 /nfs/dbraw/zinc/27/47/90/906274790.db2.gz NCRWRXKIIGSDAT-HNNXBMFYSA-N 1 1 398.438 3.991 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001173221080 906297176 /nfs/dbraw/zinc/29/71/76/906297176.db2.gz GBGWQLAHSFBUDW-IKICRFKJSA-N 1 1 375.469 3.513 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001173223065 906301254 /nfs/dbraw/zinc/30/12/54/906301254.db2.gz XASKWRJHZYDQGS-FHLIZLRMSA-N 1 1 375.469 3.610 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173225342 906307925 /nfs/dbraw/zinc/30/79/25/906307925.db2.gz JJCWZJXUPXFFDW-DLBZAZTESA-N 1 1 385.512 3.639 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001173227283 906309203 /nfs/dbraw/zinc/30/92/03/906309203.db2.gz UMBPQOAZIUDTGX-AOMKIAJQSA-N 1 1 397.450 3.794 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001173230717 906314402 /nfs/dbraw/zinc/31/44/02/906314402.db2.gz ZVGASETUJDARJD-HOTGVXAUSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173230692 906314589 /nfs/dbraw/zinc/31/45/89/906314589.db2.gz ZKNVJDBIAFDLOX-IIDMSEBBSA-N 1 1 377.485 3.761 20 5 GHBDMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc([N+](=O)[O-])ccc3OC)ccc2NC1=O ZINC000180002372 906655664 /nfs/dbraw/zinc/65/56/64/906655664.db2.gz FYEVLXCQURFABX-SJKOYZFVSA-N 1 1 385.420 3.564 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)n2)c1 ZINC000181219358 906946757 /nfs/dbraw/zinc/94/67/57/906946757.db2.gz SBOUXMABCZKVLY-BEFAXECRSA-N 1 1 394.431 3.902 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000191726445 907186722 /nfs/dbraw/zinc/18/67/22/907186722.db2.gz RMSZOFRHKPBKBB-APWZRJJASA-N 1 1 392.459 3.508 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001174832238 907228823 /nfs/dbraw/zinc/22/88/23/907228823.db2.gz KTQQVMSEIMXLAD-WMZOPIPTSA-N 1 1 399.516 3.775 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001175045979 907353600 /nfs/dbraw/zinc/35/36/00/907353600.db2.gz WVFNZCCDXQNHEU-BGYRXZFFSA-N 1 1 393.459 3.813 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001175045979 907353621 /nfs/dbraw/zinc/35/36/21/907353621.db2.gz WVFNZCCDXQNHEU-BGYRXZFFSA-N 1 1 393.459 3.813 20 5 GHBDMO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(Br)c1 ZINC001175559977 907636431 /nfs/dbraw/zinc/63/64/31/907636431.db2.gz IXHYCVBGVWKPSK-HNNXBMFYSA-N 1 1 383.217 3.974 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)O1 ZINC001175678435 907688983 /nfs/dbraw/zinc/68/89/83/907688983.db2.gz QIUYPWBQWVDDCR-JTSKRJEESA-N 1 1 399.466 3.599 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777439534 908182906 /nfs/dbraw/zinc/18/29/06/908182906.db2.gz JPINTFBWRIHZRV-QGZVFWFLSA-N 1 1 395.228 3.590 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777439534 908182912 /nfs/dbraw/zinc/18/29/12/908182912.db2.gz JPINTFBWRIHZRV-QGZVFWFLSA-N 1 1 395.228 3.590 20 5 GHBDMO C[N@H+]1C[C@@]23CN(Cc4ccc(Br)c([N+](=O)[O-])c4)C[C@]2(C1)CCCC3 ZINC001177007663 908359760 /nfs/dbraw/zinc/35/97/60/908359760.db2.gz CDLHVFJRLMNDLZ-HDICACEKSA-N 1 1 394.313 3.665 20 5 GHBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000193668678 908614795 /nfs/dbraw/zinc/61/47/95/908614795.db2.gz CTGGJKUVXAHGCG-MRXNPFEDSA-N 1 1 398.246 3.817 20 5 GHBDMO COc1cccc2c1CC[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000193707642 908644160 /nfs/dbraw/zinc/64/41/60/908644160.db2.gz DOCIFQDYUMSZIP-UHFFFAOYSA-N 1 1 393.443 3.902 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001178157590 908914448 /nfs/dbraw/zinc/91/44/48/908914448.db2.gz JOQFNPYBFOBVDC-MSOLQXFVSA-N 1 1 397.450 3.636 20 5 GHBDMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cc([N+](=O)[O-])ccc1F ZINC001180429169 910135675 /nfs/dbraw/zinc/13/56/75/910135675.db2.gz CGPNJDGCLSNDMO-FGTMMUONSA-N 1 1 397.450 3.764 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 ZINC000246210040 910171533 /nfs/dbraw/zinc/17/15/33/910171533.db2.gz CAYHKMPFIHHSQW-LEWJYISDSA-N 1 1 398.484 3.926 20 5 GHBDMO O=C(c1cc(F)ccc1F)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269697370 910336126 /nfs/dbraw/zinc/33/61/26/910336126.db2.gz WXQJCMCGKKWKEZ-IBGZPJMESA-N 1 1 390.386 3.501 20 5 GHBDMO CCOC(=O)CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000092532084 911600003 /nfs/dbraw/zinc/60/00/03/911600003.db2.gz TYGBPQHICGBJEI-UHFFFAOYSA-N 1 1 375.450 3.636 20 5 GHBDMO CCOC(=O)CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000092532084 911600014 /nfs/dbraw/zinc/60/00/14/911600014.db2.gz TYGBPQHICGBJEI-UHFFFAOYSA-N 1 1 375.450 3.636 20 5 GHBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)c1 ZINC001190332079 917264345 /nfs/dbraw/zinc/26/43/45/917264345.db2.gz OTVDOQVWWIPVIX-UHFFFAOYSA-N 1 1 381.354 3.816 20 5 GHBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001190855110 917604942 /nfs/dbraw/zinc/60/49/42/917604942.db2.gz NUMUDQCKXAMXTR-RXVVDRJESA-N 1 1 379.460 3.655 20 5 GHBDMO C[N@H+](CCc1ccccc1)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000117431271 919541716 /nfs/dbraw/zinc/54/17/16/919541716.db2.gz QOVYOTMEBDAPIN-UHFFFAOYSA-N 1 1 396.472 3.831 20 5 GHBDMO C[N@@H+](CCc1ccccc1)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000117431271 919541728 /nfs/dbraw/zinc/54/17/28/919541728.db2.gz QOVYOTMEBDAPIN-UHFFFAOYSA-N 1 1 396.472 3.831 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000119281037 919617337 /nfs/dbraw/zinc/61/73/37/919617337.db2.gz WSRBXLKYMILIEU-GFCCVEGCSA-N 1 1 379.810 3.954 20 5 GHBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000369249508 923230741 /nfs/dbraw/zinc/23/07/41/923230741.db2.gz IUUWCGDJFVJJIU-UHFFFAOYSA-N 1 1 386.455 3.664 20 5 GHBDMO COc1cc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000827178221 924968192 /nfs/dbraw/zinc/96/81/92/924968192.db2.gz GKLKOCCJJIGECD-GOEBONIOSA-N 1 1 394.374 3.515 20 5 GHBDMO O=C(CC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000409876777 925087925 /nfs/dbraw/zinc/08/79/25/925087925.db2.gz AGCXRHYIUSVDFA-SFHVURJKSA-N 1 1 383.448 3.605 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000726601920 926755723 /nfs/dbraw/zinc/75/57/23/926755723.db2.gz UAPAFPDPQXRPDN-CRAIPNDOSA-N 1 1 393.484 3.741 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(F)c(F)c1 ZINC000726605524 926759014 /nfs/dbraw/zinc/75/90/14/926759014.db2.gz QXFVEOIFHLSGOL-UHFFFAOYSA-N 1 1 387.342 3.861 20 5 GHBDMO CC[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000749909084 927344002 /nfs/dbraw/zinc/34/40/02/927344002.db2.gz VLZDSPVTOKEMBA-MRXNPFEDSA-N 1 1 387.867 3.815 20 5 GHBDMO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1 ZINC000749915314 927345579 /nfs/dbraw/zinc/34/55/79/927345579.db2.gz XSCSCXYHLPRNKJ-AWEZNQCLSA-N 1 1 389.839 3.685 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1 ZINC000749915314 927345594 /nfs/dbraw/zinc/34/55/94/927345594.db2.gz XSCSCXYHLPRNKJ-AWEZNQCLSA-N 1 1 389.839 3.685 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cn3nc(C)c4cc([N+](=O)[O-])cnc43)C2)cc1 ZINC000749954219 927368965 /nfs/dbraw/zinc/36/89/65/927368965.db2.gz MEBKRJQVMYOJQK-KRWDZBQOSA-N 1 1 395.463 3.569 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H](O)c3ccccc3)n2)c1 ZINC000750608415 927746854 /nfs/dbraw/zinc/74/68/54/927746854.db2.gz GMYJDCNABVPLSH-AZUAARDMSA-N 1 1 394.431 3.733 20 5 GHBDMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000751558984 928248630 /nfs/dbraw/zinc/24/86/30/928248630.db2.gz LPXWOLMGMVLELB-WIYYLYMNSA-N 1 1 397.475 3.902 20 5 GHBDMO CO[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000752321454 928756525 /nfs/dbraw/zinc/75/65/25/928756525.db2.gz KMOZUZZPMJROLD-CRAIPNDOSA-N 1 1 389.839 3.649 20 5 GHBDMO CO[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000752321454 928756537 /nfs/dbraw/zinc/75/65/37/928756537.db2.gz KMOZUZZPMJROLD-CRAIPNDOSA-N 1 1 389.839 3.649 20 5 GHBDMO Cc1ccccc1[C@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752788358 929023749 /nfs/dbraw/zinc/02/37/49/929023749.db2.gz IVRMNINNUZRKDU-KRWDZBQOSA-N 1 1 380.448 3.592 20 5 GHBDMO Cc1ccccc1[C@H]1CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752788358 929023761 /nfs/dbraw/zinc/02/37/61/929023761.db2.gz IVRMNINNUZRKDU-KRWDZBQOSA-N 1 1 380.448 3.592 20 5 GHBDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752793585 929024432 /nfs/dbraw/zinc/02/44/32/929024432.db2.gz OZABFDQGFDZWPH-WMZOPIPTSA-N 1 1 380.448 3.672 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000544611104 929343273 /nfs/dbraw/zinc/34/32/73/929343273.db2.gz IYXLIBJZJQQAER-HNNXBMFYSA-N 1 1 387.402 3.526 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753655083 929464714 /nfs/dbraw/zinc/46/47/14/929464714.db2.gz QGZQEWJJSOPTLR-SFHVURJKSA-N 1 1 389.452 3.954 20 5 GHBDMO Cc1cc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000753715945 929496105 /nfs/dbraw/zinc/49/61/05/929496105.db2.gz HCWHXYVFOKZASG-SJLPKXTDSA-N 1 1 396.491 3.516 20 5 GHBDMO CCc1ccc(-c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)cc1[N+](=O)[O-] ZINC000546299967 930033437 /nfs/dbraw/zinc/03/34/37/930033437.db2.gz CAIKFFLEXDRGQR-UHFFFAOYSA-N 1 1 394.431 3.706 20 5 GHBDMO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000759748287 930474665 /nfs/dbraw/zinc/47/46/65/930474665.db2.gz JERHZSSNPMGONX-UHFFFAOYSA-N 1 1 380.326 3.933 20 5 GHBDMO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000759748287 930474668 /nfs/dbraw/zinc/47/46/68/930474668.db2.gz JERHZSSNPMGONX-UHFFFAOYSA-N 1 1 380.326 3.933 20 5 GHBDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000470295409 930514765 /nfs/dbraw/zinc/51/47/65/930514765.db2.gz DXINLOGRYHJOMX-UHFFFAOYSA-N 1 1 397.475 3.730 20 5 GHBDMO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780768900 930594435 /nfs/dbraw/zinc/59/44/35/930594435.db2.gz VQLFVYNSOABWJB-CDHQVMDDSA-N 1 1 380.448 3.520 20 5 GHBDMO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780769046 930594451 /nfs/dbraw/zinc/59/44/51/930594451.db2.gz WNFWDVHPXSQFFW-XMCHAPAWSA-N 1 1 398.438 3.659 20 5 GHBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000781256016 930760256 /nfs/dbraw/zinc/76/02/56/930760256.db2.gz JENZTPTWTHNFMQ-UHFFFAOYSA-N 1 1 397.381 3.712 20 5 GHBDMO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781381798 930824516 /nfs/dbraw/zinc/82/45/16/930824516.db2.gz ODIMIWOTZUARRZ-ZIAGYGMSSA-N 1 1 394.903 3.700 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782467732 931232549 /nfs/dbraw/zinc/23/25/49/931232549.db2.gz QCERIFOSPBWJAM-CYBMUJFWSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782467732 931232560 /nfs/dbraw/zinc/23/25/60/931232560.db2.gz QCERIFOSPBWJAM-CYBMUJFWSA-N 1 1 383.876 3.985 20 5 GHBDMO Cc1cccc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c1[N+](=O)[O-] ZINC000557458497 931442607 /nfs/dbraw/zinc/44/26/07/931442607.db2.gz VFIPVPCAOGLBBA-GOSISDBHSA-N 1 1 379.416 3.757 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000784007686 931752865 /nfs/dbraw/zinc/75/28/65/931752865.db2.gz KNHMHBOMWLBVJP-QRWLVFNGSA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000784007686 931752872 /nfs/dbraw/zinc/75/28/72/931752872.db2.gz KNHMHBOMWLBVJP-QRWLVFNGSA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000784008814 931754511 /nfs/dbraw/zinc/75/45/11/931754511.db2.gz INQJYLRHNAIPRC-SUMWQHHRSA-N 1 1 383.404 3.552 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000784008814 931754515 /nfs/dbraw/zinc/75/45/15/931754515.db2.gz INQJYLRHNAIPRC-SUMWQHHRSA-N 1 1 383.404 3.552 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@@H](Oc4cccc(F)c4)C3)c2)c1 ZINC000784030973 931761334 /nfs/dbraw/zinc/76/13/34/931761334.db2.gz ZODOLLQGIYJJNY-HXUWFJFHSA-N 1 1 382.395 3.708 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@@H](Oc4cccc(F)c4)C3)c2)c1 ZINC000784030973 931761345 /nfs/dbraw/zinc/76/13/45/931761345.db2.gz ZODOLLQGIYJJNY-HXUWFJFHSA-N 1 1 382.395 3.708 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000784504586 931916467 /nfs/dbraw/zinc/91/64/67/931916467.db2.gz AHDVIHWJKFWXTR-FDQGKXFDSA-N 1 1 393.459 3.859 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000926906454 932343892 /nfs/dbraw/zinc/34/38/92/932343892.db2.gz VXZWGRKFWKLCEW-HRCADAONSA-N 1 1 398.385 3.507 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCN3C3CCCCC3)CC2)cc1 ZINC000798002373 932486597 /nfs/dbraw/zinc/48/65/97/932486597.db2.gz FVXFDBONVNXLFB-QFIPXVFZSA-N 1 1 386.540 3.950 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000799363081 932972052 /nfs/dbraw/zinc/97/20/52/932972052.db2.gz XXVXDTOJEISBGP-INIZCTEOSA-N 1 1 393.484 3.600 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001116105507 933337080 /nfs/dbraw/zinc/33/70/80/933337080.db2.gz XVQJDYOKBSTFOM-OAQYLSRUSA-N 1 1 379.460 3.847 20 5 GHBDMO CCC[N@@H+](C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000560708985 933483859 /nfs/dbraw/zinc/48/38/59/933483859.db2.gz OEKNWANFYKYFJV-LJQANCHMSA-N 1 1 389.883 3.990 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)cc1 ZINC001116375069 933517776 /nfs/dbraw/zinc/51/77/76/933517776.db2.gz STEGFTJOQHCALZ-IAGOWNOFSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)cc1 ZINC001116375069 933517787 /nfs/dbraw/zinc/51/77/87/933517787.db2.gz STEGFTJOQHCALZ-IAGOWNOFSA-N 1 1 377.803 3.563 20 5 GHBDMO C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000560759960 933536902 /nfs/dbraw/zinc/53/69/02/933536902.db2.gz KAGUCVCYWFJSRL-FDDCHVKYSA-N 1 1 393.487 3.823 20 5 GHBDMO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000561233316 933981256 /nfs/dbraw/zinc/98/12/56/933981256.db2.gz GLKRUOHFTQZPNP-NVXWUHKLSA-N 1 1 398.463 3.550 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCSc1ccncc1)[C@H]1CC[C@H](O)CC1 ZINC000930811196 934255742 /nfs/dbraw/zinc/25/57/42/934255742.db2.gz VEHYXRZDEIXYOA-IYARVYRRSA-N 1 1 387.505 3.888 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCCO[C@@H](c4ccccc4)C3)c2)c1 ZINC000777956490 934381871 /nfs/dbraw/zinc/38/18/71/934381871.db2.gz MEZRDJPPUVHWQE-OAQYLSRUSA-N 1 1 378.432 3.879 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCCO[C@@H](c4ccccc4)C3)c2)c1 ZINC000777956490 934381879 /nfs/dbraw/zinc/38/18/79/934381879.db2.gz MEZRDJPPUVHWQE-OAQYLSRUSA-N 1 1 378.432 3.879 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913601 934763467 /nfs/dbraw/zinc/76/34/67/934763467.db2.gz JXKUMUYLSYRYIX-OAHLLOKOSA-N 1 1 389.349 3.598 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)o1 ZINC000932196150 934847407 /nfs/dbraw/zinc/84/74/07/934847407.db2.gz KBDDYTRMOWFRDW-ZDUSSCGKSA-N 1 1 385.449 3.556 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)o1 ZINC000932196150 934847412 /nfs/dbraw/zinc/84/74/12/934847412.db2.gz KBDDYTRMOWFRDW-ZDUSSCGKSA-N 1 1 385.449 3.556 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC001124677207 935442945 /nfs/dbraw/zinc/44/29/45/935442945.db2.gz DXNBTLJLORXROG-UHFFFAOYSA-N 1 1 387.867 3.525 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC001137589737 935606513 /nfs/dbraw/zinc/60/65/13/935606513.db2.gz SEGKTGPUUFDIGG-AEFFLSMTSA-N 1 1 399.466 3.693 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC000828806772 935714530 /nfs/dbraw/zinc/71/45/30/935714530.db2.gz DCYDHAHYMLMALH-KESTWPANSA-N 1 1 399.447 3.851 20 5 GHBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@]1(O)CCc2ccccc21 ZINC000829365194 935801853 /nfs/dbraw/zinc/80/18/53/935801853.db2.gz CNZWHJOTNYCLKN-OAQYLSRUSA-N 1 1 379.416 3.516 20 5 GHBDMO CCOc1cc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)ccc1[N+](=O)[O-] ZINC001626005497 1014739769 /nfs/dbraw/zinc/73/97/69/1014739769.db2.gz HVQGVASVJWSSEF-QGZVFWFLSA-N 1 1 390.484 3.912 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC001226747409 1032110325 /nfs/dbraw/zinc/11/03/25/1032110325.db2.gz BKMDGMFIAWFPBJ-MRXNPFEDSA-N 1 1 378.375 3.543 20 5 GHBDMO C[C@@H](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+](C)Cc1ccccc1 ZINC000544868171 1015128308 /nfs/dbraw/zinc/12/83/08/1015128308.db2.gz AFZQTPDMMVFJTN-HNNXBMFYSA-N 1 1 380.448 3.717 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545154265 1015592319 /nfs/dbraw/zinc/59/23/19/1015592319.db2.gz HACIIYCUDMFUTO-CQSZACIVSA-N 1 1 379.476 3.638 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000468635262 1015862889 /nfs/dbraw/zinc/86/28/89/1015862889.db2.gz NLCOHPSNGAMUJG-QGOAFFKASA-N 1 1 380.492 3.858 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545828506 1016467895 /nfs/dbraw/zinc/46/78/95/1016467895.db2.gz YAMKYKLJNKPHBU-WBVHZDCISA-N 1 1 399.466 3.963 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000557374307 1016990755 /nfs/dbraw/zinc/99/07/55/1016990755.db2.gz HIGVRZRTJRIGDA-FQEVSTJZSA-N 1 1 381.476 3.508 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001227296350 1032359799 /nfs/dbraw/zinc/35/97/99/1032359799.db2.gz WIHZGJCSXRWSMW-MGPUTAFESA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558736433 1017275601 /nfs/dbraw/zinc/27/56/01/1017275601.db2.gz YVAUIDZCDCMEGD-OAHLLOKOSA-N 1 1 385.489 3.597 20 5 GHBDMO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558736433 1017275609 /nfs/dbraw/zinc/27/56/09/1017275609.db2.gz YVAUIDZCDCMEGD-OAHLLOKOSA-N 1 1 385.489 3.597 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2cncc(Br)c2)cc1 ZINC000932253507 1018161033 /nfs/dbraw/zinc/16/10/33/1018161033.db2.gz ZUEMXQHQASTWGF-IRXDYDNUSA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2cncc(Br)c2)cc1 ZINC000932253507 1018161035 /nfs/dbraw/zinc/16/10/35/1018161035.db2.gz ZUEMXQHQASTWGF-IRXDYDNUSA-N 1 1 392.253 3.623 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932800813 1018676350 /nfs/dbraw/zinc/67/63/50/1018676350.db2.gz MHCYAJCNLYRJDF-SEONNTABSA-N 1 1 385.508 3.811 20 5 GHBDMO Cc1[nH]c2c([nH+]1)CCN(C(=O)c1cc(=S)cc3[nH]c4ccccc4nc1-3)CC2 ZINC001155991074 1032825605 /nfs/dbraw/zinc/82/56/05/1032825605.db2.gz PTBXTXLRXMLEDJ-UHFFFAOYSA-N 1 1 389.484 3.670 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(=S)cc4[nH]c5ccccc5nc3-4)C[C@H]21 ZINC001155996796 1032828628 /nfs/dbraw/zinc/82/86/28/1032828628.db2.gz UNCCIGIXKINOKW-ORAYPTAESA-N 1 1 378.501 3.563 20 5 GHBDMO Cc1cc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000575098565 1019924062 /nfs/dbraw/zinc/92/40/62/1019924062.db2.gz OMDSTEIYVSZQNW-OALUTQOASA-N 1 1 394.475 3.889 20 5 GHBDMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000576656288 1020049441 /nfs/dbraw/zinc/04/94/41/1020049441.db2.gz RLNWESQMYAYDHL-OAHLLOKOSA-N 1 1 382.258 3.703 20 5 GHBDMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)n1 ZINC000194922237 1020968840 /nfs/dbraw/zinc/96/88/40/1020968840.db2.gz DUNWCVQNZHNUOM-CQSZACIVSA-N 1 1 397.435 3.683 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000795220506 1020991884 /nfs/dbraw/zinc/99/18/84/1020991884.db2.gz ODUVTBNTKGLLEK-UHFFFAOYSA-N 1 1 382.464 3.658 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000246066507 1021035645 /nfs/dbraw/zinc/03/56/45/1021035645.db2.gz BZQUOIMKQOXBDO-CVEARBPZSA-N 1 1 377.460 3.769 20 5 GHBDMO COc1cc(C)nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1[N+](=O)[O-] ZINC001156317266 1032980303 /nfs/dbraw/zinc/98/03/03/1032980303.db2.gz KUHODGOBXVCURM-KZNAEPCWSA-N 1 1 382.464 3.629 20 5 GHBDMO Cc1cc2[nH]c(O[C@H]3CCC[N@H+]([C@H](C)c4ccccn4)C3)nc2cc1[N+](=O)[O-] ZINC001228674179 1033037240 /nfs/dbraw/zinc/03/72/40/1033037240.db2.gz INQSZQHIGSFFAM-CABCVRRESA-N 1 1 381.436 3.779 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000754169119 1022519978 /nfs/dbraw/zinc/51/99/78/1022519978.db2.gz LGQGQHFUGQWFJY-VCYKGMCDSA-N 1 1 379.460 3.950 20 5 GHBDMO CN1CC[NH+](Cc2ccc(Nc3c(N)c4cccnc4c4ncccc43)cc2)CC1 ZINC001204758306 1033072952 /nfs/dbraw/zinc/07/29/52/1033072952.db2.gz FNYCKYRUHIRZPX-UHFFFAOYSA-N 1 1 398.514 3.856 20 5 GHBDMO COCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000754460551 1022720698 /nfs/dbraw/zinc/72/06/98/1022720698.db2.gz LLJBECWCHGYXEJ-SMDDNHRTSA-N 1 1 381.816 3.536 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000836501993 1023038836 /nfs/dbraw/zinc/03/88/36/1023038836.db2.gz XQFHBOMQNXITBX-SFHVURJKSA-N 1 1 396.491 3.882 20 5 GHBDMO COc1ccc(C(=O)O[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000755869734 1023411147 /nfs/dbraw/zinc/41/11/47/1023411147.db2.gz HQTZEMRICWVBPQ-QAPCUYQASA-N 1 1 384.432 3.671 20 5 GHBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001141557401 1025532524 /nfs/dbraw/zinc/53/25/24/1025532524.db2.gz FWDGNIOMEPRTJZ-HNNXBMFYSA-N 1 1 391.830 3.782 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001141558865 1025535371 /nfs/dbraw/zinc/53/53/71/1025535371.db2.gz XTDKDEGZCGHUGP-INIZCTEOSA-N 1 1 385.489 3.711 20 5 GHBDMO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC001141569429 1025598585 /nfs/dbraw/zinc/59/85/85/1025598585.db2.gz HYSAGXBKODPPPS-KRWDZBQOSA-N 1 1 387.867 3.815 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)c(F)c1 ZINC000839153482 1025654206 /nfs/dbraw/zinc/65/42/06/1025654206.db2.gz GLJQKOIQZJIKLW-IBGZPJMESA-N 1 1 380.366 3.958 20 5 GHBDMO CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001162791483 1025918477 /nfs/dbraw/zinc/91/84/77/1025918477.db2.gz DMZCUMCYQIFRNC-MRXNPFEDSA-N 1 1 377.391 3.907 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001141648131 1026051495 /nfs/dbraw/zinc/05/14/95/1026051495.db2.gz MWGPGUOXTNGUDD-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO COCC[N@@H+](C)[C@H](CNc1ncc([N+](=O)[O-])c(C)c1C)c1ccc(Cl)cc1 ZINC001163384559 1026169859 /nfs/dbraw/zinc/16/98/59/1026169859.db2.gz JUDMWUGIAKVCFA-GOSISDBHSA-N 1 1 392.887 3.991 20 5 GHBDMO CN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141727965 1026360725 /nfs/dbraw/zinc/36/07/25/1026360725.db2.gz JLRCIWXZQMHSEL-HXUWFJFHSA-N 1 1 375.516 3.635 20 5 GHBDMO CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001165110007 1026611871 /nfs/dbraw/zinc/61/18/71/1026611871.db2.gz AMKKNPCNCILPEI-LJQANCHMSA-N 1 1 396.491 3.736 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N2CCC(n3ncc4ccccc43)CC2)ncc1[N+](=O)[O-] ZINC001167017475 1027200824 /nfs/dbraw/zinc/20/08/24/1027200824.db2.gz DWNFTDZGPZZIGI-JXMROGBWSA-N 1 1 392.463 3.713 20 5 GHBDMO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000840128023 1027254771 /nfs/dbraw/zinc/25/47/71/1027254771.db2.gz UKSMBSXCTXUTAO-ZBFHGGJFSA-N 1 1 387.505 3.780 20 5 GHBDMO C[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000840128023 1027254789 /nfs/dbraw/zinc/25/47/89/1027254789.db2.gz UKSMBSXCTXUTAO-ZBFHGGJFSA-N 1 1 387.505 3.780 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000840147771 1027279613 /nfs/dbraw/zinc/27/96/13/1027279613.db2.gz JARXRCGQZQVKKV-UAPYVXQJSA-N 1 1 393.447 3.697 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1 ZINC001214489633 1028757618 /nfs/dbraw/zinc/75/76/18/1028757618.db2.gz GSPDEOVLJHCBKT-INIZCTEOSA-N 1 1 388.855 3.953 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001150120176 1030407598 /nfs/dbraw/zinc/40/75/98/1030407598.db2.gz UEGMJMDYZCAOMS-YOEHRIQHSA-N 1 1 391.537 3.946 20 5 GHBDMO COC(=O)c1c(CO[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001223292927 1030512945 /nfs/dbraw/zinc/51/29/45/1030512945.db2.gz DLNBCLMHFLWWOD-OXJNMPFZSA-N 1 1 398.459 3.809 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223485866 1030598784 /nfs/dbraw/zinc/59/87/84/1030598784.db2.gz HPROFWFRLDASLJ-QRWLVFNGSA-N 1 1 385.420 3.930 20 5 GHBDMO O=[N+]([O-])c1cc(CO[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc([N+](=O)[O-])c1 ZINC001223490586 1030601654 /nfs/dbraw/zinc/60/16/54/1030601654.db2.gz YDMARTFCXKRVIN-DUXKGJEZSA-N 1 1 397.431 3.930 20 5 GHBDMO COC(=O)c1cccc(CO[C@@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001223663012 1030692993 /nfs/dbraw/zinc/69/29/93/1030692993.db2.gz QKTYJKJHGCVCSQ-DOTOQJQBSA-N 1 1 399.447 3.519 20 5 GHBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC[C@@H]21 ZINC001151993380 1031071993 /nfs/dbraw/zinc/07/19/93/1031071993.db2.gz QZSJRRWMKAAODX-KXBFYZLASA-N 1 1 397.500 3.912 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229374854 1033444765 /nfs/dbraw/zinc/44/47/65/1033444765.db2.gz SZTCGJWMKQPDAA-KSSFIOAISA-N 1 1 394.431 3.533 20 5 GHBDMO Cc1cc[nH+]c(N2CCC(Oc3ccc4c(C)cc(=O)oc4c3[N+](=O)[O-])CC2)c1 ZINC001229947447 1033808427 /nfs/dbraw/zinc/80/84/27/1033808427.db2.gz YQHVFWWEWILYLI-UHFFFAOYSA-N 1 1 395.415 3.761 20 5 GHBDMO Cc1ccc(O[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230490496 1034087489 /nfs/dbraw/zinc/08/74/89/1034087489.db2.gz BRKMAVQVVAWNMR-LSDHHAIUSA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230490496 1034087501 /nfs/dbraw/zinc/08/75/01/1034087501.db2.gz BRKMAVQVVAWNMR-LSDHHAIUSA-N 1 1 386.408 3.811 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2ccc3cccnc3c2n1 ZINC001232220468 1035169199 /nfs/dbraw/zinc/16/91/99/1035169199.db2.gz POGGIPUXNUXEMG-OALUTQOASA-N 1 1 390.487 3.977 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2ccc3cccnc3c2n1 ZINC001232220468 1035169202 /nfs/dbraw/zinc/16/92/02/1035169202.db2.gz POGGIPUXNUXEMG-OALUTQOASA-N 1 1 390.487 3.977 20 5 GHBDMO CCOC(=O)CCc1ccc(CNc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)cc1 ZINC001161284536 1035201738 /nfs/dbraw/zinc/20/17/38/1035201738.db2.gz MYMAMDAPCQPTDT-VAWYXSNFSA-N 1 1 398.463 3.630 20 5 GHBDMO C[NH+]1CCN(NC(=O)c2ccc(-c3nc4ccccc4c4ccccc43)cc2)CC1 ZINC001242093326 1035811371 /nfs/dbraw/zinc/81/13/71/1035811371.db2.gz BTMHBUMFKITDIF-UHFFFAOYSA-N 1 1 396.494 3.947 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246669859 1037537569 /nfs/dbraw/zinc/53/75/69/1037537569.db2.gz ACECSDBWEAJCAP-RZFNWQHOSA-N 1 1 379.504 3.779 20 5 GHBDMO CCOc1cc(-c2nc3cc(C)ccc3n2C2CC[NH2+]CC2)cc([N+](=O)[O-])c1O ZINC001247040145 1037862754 /nfs/dbraw/zinc/86/27/54/1037862754.db2.gz XFRVDZCRYBPRQG-UHFFFAOYSA-N 1 1 396.447 3.949 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2cc(F)c(F)cc2Cl)no1 ZINC001247665682 1038301379 /nfs/dbraw/zinc/30/13/79/1038301379.db2.gz HZXUXVFFUBNBEP-ZDUSSCGKSA-N 1 1 380.738 3.819 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001233984172 1039742848 /nfs/dbraw/zinc/74/28/48/1039742848.db2.gz FCKHZLUWSYVOPA-SFHVURJKSA-N 1 1 390.867 3.821 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001233985491 1039744699 /nfs/dbraw/zinc/74/46/99/1039744699.db2.gz YVWBRFDHNQIWKD-AEFFLSMTSA-N 1 1 385.464 3.514 20 5 GHBDMO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001254236920 1040089281 /nfs/dbraw/zinc/08/92/81/1040089281.db2.gz DBIHTTOHFKVGEB-RYUDHWBXSA-N 1 1 379.844 3.901 20 5 GHBDMO [NH3+]CC(=O)c1cn(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12 ZINC001254466672 1040252740 /nfs/dbraw/zinc/25/27/40/1040252740.db2.gz KXQRRGMJIZYANS-UHFFFAOYSA-N 1 1 378.432 3.532 20 5 GHBDMO CN1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H](c2ccccc2)C1 ZINC001254475145 1040261991 /nfs/dbraw/zinc/26/19/91/1040261991.db2.gz AWVCTYYAHBTBLL-JOCHJYFZSA-N 1 1 380.492 3.552 20 5 GHBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254480916 1040268928 /nfs/dbraw/zinc/26/89/28/1040268928.db2.gz PUCGLHWTLYRRPG-IBGZPJMESA-N 1 1 389.496 3.760 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001254551757 1040319377 /nfs/dbraw/zinc/31/93/77/1040319377.db2.gz FGJDVDZXAUTHNP-RDJZCZTQSA-N 1 1 377.485 3.857 20 5 GHBDMO Cc1ccc2c(n1)N(CC1CC1)CC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562573 1040335709 /nfs/dbraw/zinc/33/57/09/1040335709.db2.gz NCLUXKMMHQIRRV-QGZVFWFLSA-N 1 1 380.492 3.961 20 5 GHBDMO CC[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001254600328 1040370531 /nfs/dbraw/zinc/37/05/31/1040370531.db2.gz PAEZIIHJEIULKH-IBGZPJMESA-N 1 1 389.496 3.783 20 5 GHBDMO CC(C)[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605730 1040376639 /nfs/dbraw/zinc/37/66/39/1040376639.db2.gz DBWBXRFZUNVUFT-RTBURBONSA-N 1 1 389.496 3.782 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](C2CC2)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605233 1040377061 /nfs/dbraw/zinc/37/70/61/1040377061.db2.gz APHZCPCBBMEGHF-RTBURBONSA-N 1 1 387.480 3.536 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1Cc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255366840 1040965078 /nfs/dbraw/zinc/96/50/78/1040965078.db2.gz SXEFHQCRXKIPOH-MRXNPFEDSA-N 1 1 382.395 3.697 20 5 GHBDMO COc1cccc([N+](=O)[O-])c1-c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255488376 1041085598 /nfs/dbraw/zinc/08/55/98/1041085598.db2.gz XIFVJDPRSHHEHT-OAHLLOKOSA-N 1 1 380.404 3.643 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C)Cc3ccc(Cl)nc3)CC2)ccc1[N+](=O)[O-] ZINC001256100320 1041526822 /nfs/dbraw/zinc/52/68/22/1041526822.db2.gz FPSRQNAGUQNNLC-UHFFFAOYSA-N 1 1 390.871 3.753 20 5 GHBDMO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001258125806 1044413332 /nfs/dbraw/zinc/41/33/32/1044413332.db2.gz ZRGWWVTYEPRRRF-ACJLOTCBSA-N 1 1 378.835 3.618 20 5 GHBDMO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001296188297 1045275552 /nfs/dbraw/zinc/27/55/52/1045275552.db2.gz GMNABCFSSAUUGO-INIZCTEOSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1Cc1ccccc1 ZINC001296188297 1045275564 /nfs/dbraw/zinc/27/55/64/1045275564.db2.gz GMNABCFSSAUUGO-INIZCTEOSA-N 1 1 387.867 3.985 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001297115592 1045456064 /nfs/dbraw/zinc/45/60/64/1045456064.db2.gz JRBGJKYQMCVFKM-MRXNPFEDSA-N 1 1 375.469 3.520 20 5 GHBDMO [NH3+][C@H](c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1)c1ccccc1 ZINC001261480658 1046004028 /nfs/dbraw/zinc/00/40/28/1046004028.db2.gz VYTNZOYQGQKPFN-SFHVURJKSA-N 1 1 379.420 3.683 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001262356263 1046246239 /nfs/dbraw/zinc/24/62/39/1046246239.db2.gz WNSSJWXGWJYFMZ-XLIONFOSSA-N 1 1 386.448 3.909 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C1CCCC1 ZINC001263934080 1047190825 /nfs/dbraw/zinc/19/08/25/1047190825.db2.gz SHUUDAXHYLKINX-MRXNPFEDSA-N 1 1 389.499 3.770 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+]1C1CCCC1 ZINC001263934080 1047190846 /nfs/dbraw/zinc/19/08/46/1047190846.db2.gz SHUUDAXHYLKINX-MRXNPFEDSA-N 1 1 389.499 3.770 20 5 GHBDMO CC[N@H+](CCOc1ccc(Br)cc1)Cc1cccnc1[N+](=O)[O-] ZINC001307496917 1049336388 /nfs/dbraw/zinc/33/63/88/1049336388.db2.gz AKTOFVZTAHNZQS-UHFFFAOYSA-N 1 1 380.242 3.653 20 5 GHBDMO CC[N@@H+](CCOc1ccc(Br)cc1)Cc1cccnc1[N+](=O)[O-] ZINC001307496917 1049336400 /nfs/dbraw/zinc/33/64/00/1049336400.db2.gz AKTOFVZTAHNZQS-UHFFFAOYSA-N 1 1 380.242 3.653 20 5 GHBDMO CC(C)Oc1cc(C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC001307585808 1049423755 /nfs/dbraw/zinc/42/37/55/1049423755.db2.gz IXNGNECQOLVKKV-UHFFFAOYSA-N 1 1 398.463 3.770 20 5 GHBDMO CCOc1cc(N2CC[NH+](CCO[C@H]3CCCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001307735161 1049547729 /nfs/dbraw/zinc/54/77/29/1049547729.db2.gz WNSWJZJDXQEHNJ-XLIONFOSSA-N 1 1 391.512 3.711 20 5 GHBDMO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307779062 1049586374 /nfs/dbraw/zinc/58/63/74/1049586374.db2.gz IZHXQSLBSGDVKY-GHTZIAJQSA-N 1 1 395.503 3.830 20 5 GHBDMO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307779062 1049586386 /nfs/dbraw/zinc/58/63/86/1049586386.db2.gz IZHXQSLBSGDVKY-GHTZIAJQSA-N 1 1 395.503 3.830 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])C1 ZINC001307803332 1049601453 /nfs/dbraw/zinc/60/14/53/1049601453.db2.gz ITXDEWXBTCHLFJ-DOTOQJQBSA-N 1 1 390.484 3.601 20 5 GHBDMO CC(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001307870345 1049652284 /nfs/dbraw/zinc/65/22/84/1049652284.db2.gz MUOUZGRXBOBBPU-YADHBBJMSA-N 1 1 383.492 3.613 20 5 GHBDMO CC(C)N(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307870345 1049652289 /nfs/dbraw/zinc/65/22/89/1049652289.db2.gz MUOUZGRXBOBBPU-YADHBBJMSA-N 1 1 383.492 3.613 20 5 GHBDMO CC(C)N(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307870345 1049652295 /nfs/dbraw/zinc/65/22/95/1049652295.db2.gz MUOUZGRXBOBBPU-YADHBBJMSA-N 1 1 383.492 3.613 20 5 GHBDMO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC001307895071 1049673575 /nfs/dbraw/zinc/67/35/75/1049673575.db2.gz VTUDGFUKJNOSGX-OAHLLOKOSA-N 1 1 378.860 3.771 20 5 GHBDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001307989337 1049743159 /nfs/dbraw/zinc/74/31/59/1049743159.db2.gz FFHCXVHGVWOKLO-ZWKOTPCHSA-N 1 1 388.439 3.742 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC001308075733 1049822260 /nfs/dbraw/zinc/82/22/60/1049822260.db2.gz PHCNVHBVDHXWTB-HXUWFJFHSA-N 1 1 390.484 3.603 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001308149816 1049887484 /nfs/dbraw/zinc/88/74/84/1049887484.db2.gz OUSQCOVXVBCWTI-KRWDZBQOSA-N 1 1 383.448 3.645 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001308149816 1049887494 /nfs/dbraw/zinc/88/74/94/1049887494.db2.gz OUSQCOVXVBCWTI-KRWDZBQOSA-N 1 1 383.448 3.645 20 5 GHBDMO Cc1cn2c(C[NH2+]Cc3ccc(Br)cc3[N+](=O)[O-])c(C)nc2s1 ZINC001308502876 1049992355 /nfs/dbraw/zinc/99/23/55/1049992355.db2.gz IDLGJAIHVCFYRT-UHFFFAOYSA-N 1 1 395.282 3.973 20 5 GHBDMO CC[N@@H+](CCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)CCC(F)(F)F ZINC001328024296 1050362205 /nfs/dbraw/zinc/36/22/05/1050362205.db2.gz OYSIOMYBWSZLHQ-UHFFFAOYSA-N 1 1 391.781 3.878 20 5 GHBDMO Cc1cc(NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001310488604 1051392958 /nfs/dbraw/zinc/39/29/58/1051392958.db2.gz WCOOCXHORPWVIM-IBGZPJMESA-N 1 1 382.464 3.684 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001311019155 1051777892 /nfs/dbraw/zinc/77/78/92/1051777892.db2.gz LORFVPHHUNMQFE-AWEZNQCLSA-N 1 1 383.452 3.672 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001312283038 1052677526 /nfs/dbraw/zinc/67/75/26/1052677526.db2.gz GETXPTLDYUGYID-QGZVFWFLSA-N 1 1 394.903 3.845 20 5 GHBDMO CC[C@H](NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001312432546 1052740566 /nfs/dbraw/zinc/74/05/66/1052740566.db2.gz BZMXRQSFNLQDOZ-PMACEKPBSA-N 1 1 382.464 3.620 20 5 GHBDMO C[C@H](CNC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001313352186 1053027874 /nfs/dbraw/zinc/02/78/74/1053027874.db2.gz NAADJLHXQNEVSX-VGOFRKELSA-N 1 1 396.491 3.662 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001318598736 1054741212 /nfs/dbraw/zinc/74/12/12/1054741212.db2.gz GMMFLNYFUAMGAY-LJQANCHMSA-N 1 1 383.448 3.905 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001318598736 1054741228 /nfs/dbraw/zinc/74/12/28/1054741228.db2.gz GMMFLNYFUAMGAY-LJQANCHMSA-N 1 1 383.448 3.905 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001345025026 1054859439 /nfs/dbraw/zinc/85/94/39/1054859439.db2.gz VNKGLUYYPSDJMP-HNNXBMFYSA-N 1 1 375.469 3.600 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320542521 1055871801 /nfs/dbraw/zinc/87/18/01/1055871801.db2.gz CTVGZYUVUYMICY-HBGVWJBISA-N 1 1 399.466 3.864 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320542521 1055871813 /nfs/dbraw/zinc/87/18/13/1055871813.db2.gz CTVGZYUVUYMICY-HBGVWJBISA-N 1 1 399.466 3.864 20 5 GHBDMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1OC(F)F ZINC001320625838 1055907323 /nfs/dbraw/zinc/90/73/23/1055907323.db2.gz KGSDUHGCZCBMQY-JTQLQIEISA-N 1 1 383.326 3.625 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001320658997 1055919304 /nfs/dbraw/zinc/91/93/04/1055919304.db2.gz VIOJQJPLRVCKPH-UHFFFAOYSA-N 1 1 398.463 3.652 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001321027817 1056062460 /nfs/dbraw/zinc/06/24/60/1056062460.db2.gz OTISNVARYNVKBE-YXKWSERDSA-N 1 1 389.402 3.538 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001321027817 1056062472 /nfs/dbraw/zinc/06/24/72/1056062472.db2.gz OTISNVARYNVKBE-YXKWSERDSA-N 1 1 389.402 3.538 20 5 GHBDMO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001354382735 1056581187 /nfs/dbraw/zinc/58/11/87/1056581187.db2.gz KKXOLJPDBUDRED-CQSZACIVSA-N 1 1 380.452 3.874 20 5 GHBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+](CCc1ccccc1)C1CC1 ZINC000848477425 1057114467 /nfs/dbraw/zinc/11/44/67/1057114467.db2.gz PJWGUZNILJQMBI-NRFANRHFSA-N 1 1 379.460 3.575 20 5 GHBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+](CCc1ccccc1)C1CC1 ZINC000848477425 1057114470 /nfs/dbraw/zinc/11/44/70/1057114470.db2.gz PJWGUZNILJQMBI-NRFANRHFSA-N 1 1 379.460 3.575 20 5 GHBDMO CC[C@@H](c1ccncc1)[N@H+](CC)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479919 1057116955 /nfs/dbraw/zinc/11/69/55/1057116955.db2.gz LTYBRXBXMVXXHV-UXHICEINSA-N 1 1 382.464 3.736 20 5 GHBDMO CC[C@@H](c1ccncc1)[N@@H+](CC)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479919 1057116959 /nfs/dbraw/zinc/11/69/59/1057116959.db2.gz LTYBRXBXMVXXHV-UXHICEINSA-N 1 1 382.464 3.736 20 5 GHBDMO C[C@H](Cc1cccc(F)c1)[N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848487947 1057123146 /nfs/dbraw/zinc/12/31/46/1057123146.db2.gz BIUDOHRLCRVDBF-QRWLVFNGSA-N 1 1 385.439 3.570 20 5 GHBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848487947 1057123148 /nfs/dbraw/zinc/12/31/48/1057123148.db2.gz BIUDOHRLCRVDBF-QRWLVFNGSA-N 1 1 385.439 3.570 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1 ZINC001324434137 1057134108 /nfs/dbraw/zinc/13/41/08/1057134108.db2.gz SJJQUHSAVSYVNS-WMZOPIPTSA-N 1 1 389.452 3.631 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1 ZINC001324434137 1057134109 /nfs/dbraw/zinc/13/41/09/1057134109.db2.gz SJJQUHSAVSYVNS-WMZOPIPTSA-N 1 1 389.452 3.631 20 5 GHBDMO Cc1cc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)[nH]n1 ZINC001324731588 1057214121 /nfs/dbraw/zinc/21/41/21/1057214121.db2.gz QPOWIUFFQDDIDL-UHFFFAOYSA-N 1 1 397.504 3.673 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001356354203 1057485565 /nfs/dbraw/zinc/48/55/65/1057485565.db2.gz FSIAHLCLGMYMEG-IAGOWNOFSA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001356354203 1057485574 /nfs/dbraw/zinc/48/55/74/1057485574.db2.gz FSIAHLCLGMYMEG-IAGOWNOFSA-N 1 1 399.516 3.808 20 5 GHBDMO CCc1ccc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001356357504 1057487746 /nfs/dbraw/zinc/48/77/46/1057487746.db2.gz WFUMJZYLJOPLHA-IAGOWNOFSA-N 1 1 381.476 3.892 20 5 GHBDMO CCc1ccc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001356357504 1057487750 /nfs/dbraw/zinc/48/77/50/1057487750.db2.gz WFUMJZYLJOPLHA-IAGOWNOFSA-N 1 1 381.476 3.892 20 5 GHBDMO C[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[N@H+]1CCC[C@H](C)C1 ZINC001441362150 1058765700 /nfs/dbraw/zinc/76/57/00/1058765700.db2.gz PXVWQMAWJMXHLT-UWVGGRQHSA-N 1 1 392.258 3.891 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)c2C1 ZINC001443088358 1059060844 /nfs/dbraw/zinc/06/08/44/1059060844.db2.gz KSZWHKUOFBNWJN-UHFFFAOYSA-N 1 1 391.431 3.963 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)c2C1 ZINC001443088358 1059060861 /nfs/dbraw/zinc/06/08/61/1059060861.db2.gz KSZWHKUOFBNWJN-UHFFFAOYSA-N 1 1 391.431 3.963 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1)CC(C)C ZINC001341713518 1060830369 /nfs/dbraw/zinc/83/03/69/1060830369.db2.gz MADZPOVVSBGWJY-UHFFFAOYSA-N 1 1 390.528 3.857 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)C2)cc1 ZINC001455008697 1061975219 /nfs/dbraw/zinc/97/52/19/1061975219.db2.gz GQBVJZFZHNACBV-MRXNPFEDSA-N 1 1 387.867 3.869 20 5 GHBDMO CC[N@@H+]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@H]1C ZINC001545820782 1062024935 /nfs/dbraw/zinc/02/49/35/1062024935.db2.gz JDNBKALEZRNGJJ-OAHLLOKOSA-N 1 1 385.489 3.912 20 5 GHBDMO CC[N@H+]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@H]1C ZINC001545820782 1062024967 /nfs/dbraw/zinc/02/49/67/1062024967.db2.gz JDNBKALEZRNGJJ-OAHLLOKOSA-N 1 1 385.489 3.912 20 5 GHBDMO O=C(NCc1c[nH+]c2n1CCC2)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001455706054 1062269171 /nfs/dbraw/zinc/26/91/71/1062269171.db2.gz JUJUFSFGDUERPW-UHFFFAOYSA-N 1 1 394.456 3.819 20 5 GHBDMO C[C@H](c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC001435094476 1062289662 /nfs/dbraw/zinc/28/96/62/1062289662.db2.gz ZWFQBAQVPHZUJX-NQERJWCQSA-N 1 1 395.459 3.730 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001435195240 1062377616 /nfs/dbraw/zinc/37/76/16/1062377616.db2.gz ONLIUTXIGKBHGQ-IRLDBZIGSA-N 1 1 395.503 3.944 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC001435388502 1062564647 /nfs/dbraw/zinc/56/46/47/1062564647.db2.gz RXQXHXQPZNVCOX-QFBILLFUSA-N 1 1 381.476 3.995 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC001435567726 1062741565 /nfs/dbraw/zinc/74/15/65/1062741565.db2.gz WZCUTXRPORWDIQ-IRXDYDNUSA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC001435567726 1062741589 /nfs/dbraw/zinc/74/15/89/1062741589.db2.gz WZCUTXRPORWDIQ-IRXDYDNUSA-N 1 1 381.476 3.947 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCC1 ZINC001348313782 1062992863 /nfs/dbraw/zinc/99/28/63/1062992863.db2.gz ZOKRNZCCEJZJTF-UHFFFAOYSA-N 1 1 389.402 3.658 20 5 GHBDMO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001457615533 1063278356 /nfs/dbraw/zinc/27/83/56/1063278356.db2.gz UVIMEBVGDXMTFY-QAPCUYQASA-N 1 1 391.487 3.998 20 5 GHBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001457615542 1063279315 /nfs/dbraw/zinc/27/93/15/1063279315.db2.gz UVIMEBVGDXMTFY-YJBOKZPZSA-N 1 1 391.487 3.998 20 5 GHBDMO CCc1cc(N2CCC(c3c[nH+]cn3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458705332 1063922670 /nfs/dbraw/zinc/92/26/70/1063922670.db2.gz DMWVTXYZUFKHFL-UHFFFAOYSA-N 1 1 392.463 3.732 20 5 GHBDMO Cn1cc(C[NH+]2CCC(F)(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])n1 ZINC001460015983 1064348462 /nfs/dbraw/zinc/34/84/62/1064348462.db2.gz CNVQBOJRQICYCJ-UHFFFAOYSA-N 1 1 386.349 3.808 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001465915925 1065920333 /nfs/dbraw/zinc/92/03/33/1065920333.db2.gz OIFGADPVGHAGLJ-HOCLYGCPSA-N 1 1 385.489 3.710 20 5 GHBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001465988630 1065947634 /nfs/dbraw/zinc/94/76/34/1065947634.db2.gz FSBASCCWYJCDDZ-NSHDSACASA-N 1 1 376.379 3.856 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001469413321 1068151207 /nfs/dbraw/zinc/15/12/07/1068151207.db2.gz VRWBVCDUDDEUKI-BOFPYLFWSA-N 1 1 386.427 3.540 20 5 GHBDMO CC(C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@@H+](C)C(C)C ZINC001359972891 1068287000 /nfs/dbraw/zinc/28/70/00/1068287000.db2.gz FBNGMHISWYQJBV-UHFFFAOYSA-N 1 1 388.516 3.676 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)ccc1Br ZINC000771875059 1068550732 /nfs/dbraw/zinc/55/07/32/1068550732.db2.gz NFUAJANZJKXMTG-AWEZNQCLSA-N 1 1 385.645 3.834 20 5 GHBDMO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[N@H+](C2CCC2)C1 ZINC001460141415 1068807468 /nfs/dbraw/zinc/80/74/68/1068807468.db2.gz GNPDCLAFSIJJRQ-ZDUSSCGKSA-N 1 1 382.302 3.664 20 5 GHBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC001460242751 1068880997 /nfs/dbraw/zinc/88/09/97/1068880997.db2.gz SLFPWFLVAROALB-QGZVFWFLSA-N 1 1 379.254 3.831 20 5 GHBDMO CCO[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001460351618 1068936711 /nfs/dbraw/zinc/93/67/11/1068936711.db2.gz KJOXUDKLQZOXFX-HDMKZQKVSA-N 1 1 393.484 3.517 20 5 GHBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001460625507 1069040373 /nfs/dbraw/zinc/04/03/73/1069040373.db2.gz BQZXYSNMBWPDSM-HNNXBMFYSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001460625507 1069040401 /nfs/dbraw/zinc/04/04/01/1069040401.db2.gz BQZXYSNMBWPDSM-HNNXBMFYSA-N 1 1 385.247 3.773 20 5 GHBDMO COC(=O)Cc1ccc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001472718569 1073633610 /nfs/dbraw/zinc/63/36/10/1073633610.db2.gz FPJGKAQYEFLGOJ-INIZCTEOSA-N 1 1 385.464 3.633 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC001472735748 1073643164 /nfs/dbraw/zinc/64/31/64/1073643164.db2.gz QYZSOZRCQLFTCY-QAPCUYQASA-N 1 1 387.480 3.533 20 5 GHBDMO C[C@@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001472805659 1073674059 /nfs/dbraw/zinc/67/40/59/1073674059.db2.gz PASXGQZWHWJUTL-OAHLLOKOSA-N 1 1 380.423 3.993 20 5 GHBDMO C[C@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001472805656 1073674254 /nfs/dbraw/zinc/67/42/54/1073674254.db2.gz PASXGQZWHWJUTL-HNNXBMFYSA-N 1 1 380.423 3.993 20 5 GHBDMO CC(=O)c1ccc(N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC001472871119 1073704384 /nfs/dbraw/zinc/70/43/84/1073704384.db2.gz UAUMKUSSWSUPIP-KNQAVFIVSA-N 1 1 379.460 3.756 20 5 GHBDMO CC(C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001473122307 1073789844 /nfs/dbraw/zinc/78/98/44/1073789844.db2.gz XPXHFINANGCJGP-UHFFFAOYSA-N 1 1 386.408 3.742 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473283379 1073905302 /nfs/dbraw/zinc/90/53/02/1073905302.db2.gz PRQQYIBHRKDICD-ROUUACIJSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1Cc1ccccc1 ZINC001473283379 1073905306 /nfs/dbraw/zinc/90/53/06/1073905306.db2.gz PRQQYIBHRKDICD-ROUUACIJSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1Cc1ccccc1 ZINC001473283379 1073905308 /nfs/dbraw/zinc/90/53/08/1073905308.db2.gz PRQQYIBHRKDICD-ROUUACIJSA-N 1 1 396.491 3.518 20 5 GHBDMO CCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473357720 1073934102 /nfs/dbraw/zinc/93/41/02/1073934102.db2.gz LSTOKHBSCKIODO-SFHVURJKSA-N 1 1 387.455 3.839 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001473466612 1073979277 /nfs/dbraw/zinc/97/92/77/1073979277.db2.gz JMWKVSORJDXHQK-QHCPKHFHSA-N 1 1 395.503 3.962 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001473466612 1073979279 /nfs/dbraw/zinc/97/92/79/1073979279.db2.gz JMWKVSORJDXHQK-QHCPKHFHSA-N 1 1 395.503 3.962 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001473466612 1073979282 /nfs/dbraw/zinc/97/92/82/1073979282.db2.gz JMWKVSORJDXHQK-QHCPKHFHSA-N 1 1 395.503 3.962 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001473466612 1073979286 /nfs/dbraw/zinc/97/92/86/1073979286.db2.gz JMWKVSORJDXHQK-QHCPKHFHSA-N 1 1 395.503 3.962 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001473506988 1073993412 /nfs/dbraw/zinc/99/34/12/1073993412.db2.gz QWWICQYPDQLRGZ-RVKKMQEKSA-N 1 1 383.448 3.808 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H]1COc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC001473506724 1073993537 /nfs/dbraw/zinc/99/35/37/1073993537.db2.gz RXTSWAWXKGDXND-INIZCTEOSA-N 1 1 387.411 3.606 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC001473561297 1074016894 /nfs/dbraw/zinc/01/68/94/1074016894.db2.gz KYCJQIHOSXQFHR-GXTWGEPZSA-N 1 1 382.432 3.542 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC001473561297 1074016900 /nfs/dbraw/zinc/01/69/00/1074016900.db2.gz KYCJQIHOSXQFHR-GXTWGEPZSA-N 1 1 382.432 3.542 20 5 GHBDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473566405 1074019790 /nfs/dbraw/zinc/01/97/90/1074019790.db2.gz RFMVCUICKPPCBE-QFIPXVFZSA-N 1 1 397.450 3.720 20 5 GHBDMO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC001473747338 1074121301 /nfs/dbraw/zinc/12/13/01/1074121301.db2.gz HWHMEWGTGZAEGB-CVDCTZTESA-N 1 1 395.503 3.503 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)c1 ZINC001473760539 1074127765 /nfs/dbraw/zinc/12/77/65/1074127765.db2.gz DBCITQXWVCSHKP-PGRDOPGGSA-N 1 1 392.459 3.898 20 5 GHBDMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001473792774 1074145695 /nfs/dbraw/zinc/14/56/95/1074145695.db2.gz RSHYSTWKLZWOSR-NVXWUHKLSA-N 1 1 377.485 3.886 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nnc(C4CCOCC4)[nH]3)s2)cc1 ZINC001474232378 1074301970 /nfs/dbraw/zinc/30/19/70/1074301970.db2.gz FESWZRIOLMTJSH-UHFFFAOYSA-N 1 1 399.476 3.625 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001474233840 1074302664 /nfs/dbraw/zinc/30/26/64/1074302664.db2.gz GHMHUYAFDJPVEE-PXNSSMCTSA-N 1 1 383.492 3.851 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1[N+](=O)[O-] ZINC001474360723 1074363529 /nfs/dbraw/zinc/36/35/29/1074363529.db2.gz SXJGBXROGCQDEO-SFHVURJKSA-N 1 1 398.415 3.638 20 5 GHBDMO COc1c(O)ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1[N+](=O)[O-] ZINC001474360723 1074363536 /nfs/dbraw/zinc/36/35/36/1074363536.db2.gz SXJGBXROGCQDEO-SFHVURJKSA-N 1 1 398.415 3.638 20 5 GHBDMO O=[N+]([O-])c1sc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1Br ZINC001474634322 1074492560 /nfs/dbraw/zinc/49/25/60/1074492560.db2.gz SBUWJULANJLQPK-LLVKDONJSA-N 1 1 388.331 3.915 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)cc1Br ZINC001474634322 1074492562 /nfs/dbraw/zinc/49/25/62/1074492562.db2.gz SBUWJULANJLQPK-LLVKDONJSA-N 1 1 388.331 3.915 20 5 GHBDMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1Br ZINC001474694353 1074519690 /nfs/dbraw/zinc/51/96/90/1074519690.db2.gz ARZQWCHCHMLFJR-NSHDSACASA-N 1 1 393.237 3.995 20 5 GHBDMO Cc1ccc(CNC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC001476131842 1075090805 /nfs/dbraw/zinc/09/08/05/1075090805.db2.gz VTLGHSGUXUZFAG-MRXNPFEDSA-N 1 1 398.463 3.618 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cnc2c1 ZINC001164625142 719065503 /nfs/dbraw/zinc/06/55/03/719065503.db2.gz MWNADRNRQKXLHN-UWJYYQICSA-N 1 1 389.459 3.639 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000133911752 837405505 /nfs/dbraw/zinc/40/55/05/837405505.db2.gz DMLPXILHFCUKLI-ACJLOTCBSA-N 1 1 395.381 3.858 20 5 GHBDMO COc1cc(CN2CCC[N@@H+](Cc3ccccc3C)CC2)c([N+](=O)[O-])cc1F ZINC000613286089 837533958 /nfs/dbraw/zinc/53/39/58/837533958.db2.gz FHBBFHUCXBLCCH-UHFFFAOYSA-N 1 1 387.455 3.759 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000177997240 837534165 /nfs/dbraw/zinc/53/41/65/837534165.db2.gz HWJLUYLDBPMQLF-CTNGQTDRSA-N 1 1 397.475 3.562 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)s2)cc1 ZINC000180798354 837562446 /nfs/dbraw/zinc/56/24/46/837562446.db2.gz RTLCAMCURRBQHF-HNNXBMFYSA-N 1 1 383.477 3.827 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000175265597 834413295 /nfs/dbraw/zinc/41/32/95/834413295.db2.gz LYRBRUJTBDQUTM-MAUKXSAKSA-N 1 1 388.493 3.539 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000175270692 834415724 /nfs/dbraw/zinc/41/57/24/834415724.db2.gz NDCNDRXTWPMHPM-QGZVFWFLSA-N 1 1 387.505 3.949 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)c1 ZINC000558828529 834830842 /nfs/dbraw/zinc/83/08/42/834830842.db2.gz ORWMEIUZNHOUDN-HNNXBMFYSA-N 1 1 377.485 3.624 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472333337 835047648 /nfs/dbraw/zinc/04/76/48/835047648.db2.gz BWJGSUKPZRKVDQ-RYRKJORJSA-N 1 1 397.475 3.884 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126240545 844016847 /nfs/dbraw/zinc/01/68/47/844016847.db2.gz FQPAEMPNZSJFQO-HXUWFJFHSA-N 1 1 383.448 3.614 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126240545 844016858 /nfs/dbraw/zinc/01/68/58/844016858.db2.gz FQPAEMPNZSJFQO-HXUWFJFHSA-N 1 1 383.448 3.614 20 5 GHBDMO O=[N+]([O-])c1cc(CNc2cc[nH+]cc2Br)cc(C(F)(F)F)c1 ZINC000583819160 835089658 /nfs/dbraw/zinc/08/96/58/835089658.db2.gz PQIIWFOIIPLYEM-UHFFFAOYSA-N 1 1 376.132 3.805 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000583896294 835212704 /nfs/dbraw/zinc/21/27/04/835212704.db2.gz SGNQDDKKBXCWEY-WMZOPIPTSA-N 1 1 382.464 3.996 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000135804869 835228646 /nfs/dbraw/zinc/22/86/46/835228646.db2.gz NVEUGIQZFHJGSW-AWEZNQCLSA-N 1 1 389.521 3.844 20 5 GHBDMO CC[NH+](CC)CCCC1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611983999 835312684 /nfs/dbraw/zinc/31/26/84/835312684.db2.gz HHSBCDTYWPUFQL-UHFFFAOYSA-N 1 1 391.512 3.700 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471164784 835323577 /nfs/dbraw/zinc/32/35/77/835323577.db2.gz JMRLFBSVQLBBFK-HXUWFJFHSA-N 1 1 396.491 3.833 20 5 GHBDMO COc1ccccc1[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612073316 835456990 /nfs/dbraw/zinc/45/69/90/835456990.db2.gz LAHJPRZCIRLNBZ-SJLPKXTDSA-N 1 1 386.448 3.570 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612132287 835587783 /nfs/dbraw/zinc/58/77/83/835587783.db2.gz JBAGDMIACGYULC-BVYCBKJFSA-N 1 1 393.487 3.934 20 5 GHBDMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000584163766 835709150 /nfs/dbraw/zinc/70/91/50/835709150.db2.gz GGNIBNOCOAORCL-QGZVFWFLSA-N 1 1 397.456 3.628 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000535615818 835781185 /nfs/dbraw/zinc/78/11/85/835781185.db2.gz GJROJQWZXWQBPV-CVEARBPZSA-N 1 1 385.464 3.741 20 5 GHBDMO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000179571241 835880875 /nfs/dbraw/zinc/88/08/75/835880875.db2.gz DADJZRJKMCEEJQ-SOFGYWHQSA-N 1 1 396.447 3.527 20 5 GHBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000179571241 835880881 /nfs/dbraw/zinc/88/08/81/835880881.db2.gz DADJZRJKMCEEJQ-SOFGYWHQSA-N 1 1 396.447 3.527 20 5 GHBDMO COc1ccccc1COC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000179762339 835968237 /nfs/dbraw/zinc/96/82/37/835968237.db2.gz VGVHUQXBUXWBSP-UHFFFAOYSA-N 1 1 386.448 3.793 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000275044016 836004325 /nfs/dbraw/zinc/00/43/25/836004325.db2.gz YNDXCEZWTHCNEL-UHFFFAOYSA-N 1 1 399.495 3.689 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110171336 836304137 /nfs/dbraw/zinc/30/41/37/836304137.db2.gz BWFUXYRJQYHRFM-OAHLLOKOSA-N 1 1 377.828 3.798 20 5 GHBDMO CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000236663798 836366168 /nfs/dbraw/zinc/36/61/68/836366168.db2.gz CQVMGWDLDVNGQR-OAQYLSRUSA-N 1 1 399.539 3.841 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1C(F)(F)F ZINC000302056484 861190608 /nfs/dbraw/zinc/19/06/08/861190608.db2.gz QSPJTORKPRALSN-MRXNPFEDSA-N 1 1 395.381 3.792 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](O)C[C@H]3c3ccccc3)o2)c1 ZINC000411958640 836460161 /nfs/dbraw/zinc/46/01/61/836460161.db2.gz XNSICHXKMGZULZ-MOPGFXCFSA-N 1 1 379.416 3.600 20 5 GHBDMO CC[N@@H+]1CC[C@H](CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000120796562 836539735 /nfs/dbraw/zinc/53/97/35/836539735.db2.gz KFZJURZBLJJQTB-LJQANCHMSA-N 1 1 399.491 3.614 20 5 GHBDMO CC[N@H+]1CC[C@H](CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000120796562 836539737 /nfs/dbraw/zinc/53/97/37/836539737.db2.gz KFZJURZBLJJQTB-LJQANCHMSA-N 1 1 399.491 3.614 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2CSC)c([N+](=O)[O-])cc1OCC(F)F ZINC000180219460 836723286 /nfs/dbraw/zinc/72/32/86/836723286.db2.gz RTMZTRZKIMENLT-LBPRGKRZSA-N 1 1 376.425 3.575 20 5 GHBDMO CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCc2ccccc21 ZINC001167206943 836905559 /nfs/dbraw/zinc/90/55/59/836905559.db2.gz WVYUDIFNXZWRHH-FQEVSTJZSA-N 1 1 379.460 3.883 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)NCC1CC1 ZINC000180386671 837199545 /nfs/dbraw/zinc/19/95/45/837199545.db2.gz OXJOCWWWQQLPTF-UHFFFAOYSA-N 1 1 389.839 3.656 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC([C@@H](O)c4ccc(F)cc4)CC3)nc2c1 ZINC000177064469 837854841 /nfs/dbraw/zinc/85/48/41/837854841.db2.gz CPTVYYHNTMWOEJ-FQEVSTJZSA-N 1 1 385.395 3.821 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181224119 837873617 /nfs/dbraw/zinc/87/36/17/837873617.db2.gz VVPSGXYMQQUOKY-HNAYVOBHSA-N 1 1 394.431 3.902 20 5 GHBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000302051656 861190870 /nfs/dbraw/zinc/19/08/70/861190870.db2.gz OGESZHODQOQCOS-NWDGAFQWSA-N 1 1 383.290 3.817 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177527834 837971983 /nfs/dbraw/zinc/97/19/83/837971983.db2.gz CIQLVQBJKWWRRH-MAUKXSAKSA-N 1 1 383.448 3.810 20 5 GHBDMO NC(=O)c1ccc(C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C2CC2)cc1 ZINC000549342158 838009232 /nfs/dbraw/zinc/00/92/32/838009232.db2.gz GQYGXOQQYFPPIT-UHFFFAOYSA-N 1 1 393.365 3.877 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C2CC2)cc1 ZINC000549342158 838009245 /nfs/dbraw/zinc/00/92/45/838009245.db2.gz GQYGXOQQYFPPIT-UHFFFAOYSA-N 1 1 393.365 3.877 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134030359 838160279 /nfs/dbraw/zinc/16/02/79/838160279.db2.gz FNPNPUOFYWHGCE-KBPBESRZSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134030359 838160288 /nfs/dbraw/zinc/16/02/88/838160288.db2.gz FNPNPUOFYWHGCE-KBPBESRZSA-N 1 1 381.448 3.859 20 5 GHBDMO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000549800261 844299987 /nfs/dbraw/zinc/29/99/87/844299987.db2.gz GGLSFJXJGJYEGP-UHFFFAOYSA-N 1 1 377.448 3.957 20 5 GHBDMO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000549800261 844299995 /nfs/dbraw/zinc/29/99/95/844299995.db2.gz GGLSFJXJGJYEGP-UHFFFAOYSA-N 1 1 377.448 3.957 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000122721654 838204750 /nfs/dbraw/zinc/20/47/50/838204750.db2.gz LNXJXYAVJNZWOZ-HNAYVOBHSA-N 1 1 385.439 3.683 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000177642137 838221222 /nfs/dbraw/zinc/22/12/22/838221222.db2.gz WRURYJWYQGVUSK-UHFFFAOYSA-N 1 1 399.447 3.550 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)cc1 ZINC000121075071 838277136 /nfs/dbraw/zinc/27/71/36/838277136.db2.gz YBGVKBKOOPNCDC-UHFFFAOYSA-N 1 1 376.460 3.635 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H]1c1ccc(Cl)cc1 ZINC000535708104 844338179 /nfs/dbraw/zinc/33/81/79/844338179.db2.gz MAXNPLAAIFRRTA-VQIMIIECSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H]1c1ccc(Cl)cc1 ZINC000535708104 844338198 /nfs/dbraw/zinc/33/81/98/844338198.db2.gz MAXNPLAAIFRRTA-VQIMIIECSA-N 1 1 398.850 3.905 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000610363927 838694359 /nfs/dbraw/zinc/69/43/59/838694359.db2.gz LHLXSGBXSKHKNH-SFHVURJKSA-N 1 1 396.491 3.621 20 5 GHBDMO Cc1ccc(-c2cc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)on2)cc1 ZINC000118866948 838744231 /nfs/dbraw/zinc/74/42/31/838744231.db2.gz ARLWIBDKZYCWCV-MRXNPFEDSA-N 1 1 379.420 3.640 20 5 GHBDMO COc1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414858103 838898241 /nfs/dbraw/zinc/89/82/41/838898241.db2.gz QUBRFRSSCZBSGM-QFBILLFUSA-N 1 1 399.491 3.660 20 5 GHBDMO COc1ccc(-c2ccc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000415053490 839122092 /nfs/dbraw/zinc/12/20/92/839122092.db2.gz ORJXFDCKVNTSMH-KXBFYZLASA-N 1 1 385.464 3.827 20 5 GHBDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000549186848 839219081 /nfs/dbraw/zinc/21/90/81/839219081.db2.gz WJZIRPRAXGZIGM-UHFFFAOYSA-N 1 1 378.469 3.937 20 5 GHBDMO COc1cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000580311730 839229101 /nfs/dbraw/zinc/22/91/01/839229101.db2.gz OZSQZUAVOVBSJK-QFBILLFUSA-N 1 1 399.491 3.742 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000536595304 839365255 /nfs/dbraw/zinc/36/52/55/839365255.db2.gz RDLVYYQWPPHQRB-UHFFFAOYSA-N 1 1 389.496 3.578 20 5 GHBDMO C[C@@H](CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000511569660 839467739 /nfs/dbraw/zinc/46/77/39/839467739.db2.gz BDXMYXVOFLDWHH-SFHVURJKSA-N 1 1 398.507 3.689 20 5 GHBDMO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365817912 839516932 /nfs/dbraw/zinc/51/69/32/839516932.db2.gz DEJFPAOBHAFCRG-HNNXBMFYSA-N 1 1 399.495 3.580 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177792899 839814046 /nfs/dbraw/zinc/81/40/46/839814046.db2.gz FQQMBQNWSZCINT-UHFFFAOYSA-N 1 1 388.493 3.699 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177792899 839814055 /nfs/dbraw/zinc/81/40/55/839814055.db2.gz FQQMBQNWSZCINT-UHFFFAOYSA-N 1 1 388.493 3.699 20 5 GHBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000512551018 844504168 /nfs/dbraw/zinc/50/41/68/844504168.db2.gz AGIOGGGBAMFEPE-QGZVFWFLSA-N 1 1 385.464 3.983 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc(CO)ccc1F)[C@H]1CC[C@H](O)CC1 ZINC000599443338 861192080 /nfs/dbraw/zinc/19/20/80/861192080.db2.gz HCFKLXMJRLRLPT-WGSAOQKQSA-N 1 1 388.439 3.532 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc(CO)ccc1F)[C@H]1CC[C@H](O)CC1 ZINC000599443338 861192092 /nfs/dbraw/zinc/19/20/92/861192092.db2.gz HCFKLXMJRLRLPT-WGSAOQKQSA-N 1 1 388.439 3.532 20 5 GHBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000580846472 840330252 /nfs/dbraw/zinc/33/02/52/840330252.db2.gz MQTPAZPCOLWPEY-WIYYLYMNSA-N 1 1 381.476 3.787 20 5 GHBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000580846472 840330265 /nfs/dbraw/zinc/33/02/65/840330265.db2.gz MQTPAZPCOLWPEY-WIYYLYMNSA-N 1 1 381.476 3.787 20 5 GHBDMO CNC(=O)c1ccc(NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000511605131 840486398 /nfs/dbraw/zinc/48/63/98/840486398.db2.gz SXMJRZZBGFSZNZ-FUHWJXTLSA-N 1 1 396.491 3.667 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000511750819 840636850 /nfs/dbraw/zinc/63/68/50/840636850.db2.gz DNUSZMOWNCUFQZ-OAQYLSRUSA-N 1 1 395.503 3.944 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCCC2 ZINC000417311658 840708287 /nfs/dbraw/zinc/70/82/87/840708287.db2.gz POVZFTSURBCCIX-FSSWDIPSSA-N 1 1 387.524 3.720 20 5 GHBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181668133 840888181 /nfs/dbraw/zinc/88/81/81/840888181.db2.gz VOBCKJBYOUTQGM-CHWSQXEVSA-N 1 1 397.422 3.579 20 5 GHBDMO C[N@@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000600178210 861194257 /nfs/dbraw/zinc/19/42/57/861194257.db2.gz HJBNPVVKSWXSPA-LJQANCHMSA-N 1 1 392.839 3.624 20 5 GHBDMO O=C(CC[N@H+](CCCO)[C@@H]1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000500072489 841372424 /nfs/dbraw/zinc/37/24/24/841372424.db2.gz DDYBJTRUVDNCJR-HXUWFJFHSA-N 1 1 397.475 3.685 20 5 GHBDMO COC(=O)[C@H](C)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000610581533 841405992 /nfs/dbraw/zinc/40/59/92/841405992.db2.gz QBQLRNGFMUIDHK-CQSZACIVSA-N 1 1 383.404 3.547 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000302078134 861198313 /nfs/dbraw/zinc/19/83/13/861198313.db2.gz XADNYBMPYJVPCM-UONOGXRCSA-N 1 1 397.317 3.843 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000123107920 841465591 /nfs/dbraw/zinc/46/55/91/841465591.db2.gz HHIWFJUZIMMCSF-RDJZCZTQSA-N 1 1 398.463 3.778 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c2c(c1)COCO2 ZINC000418089067 841492743 /nfs/dbraw/zinc/49/27/43/841492743.db2.gz BGGXCMUHDINVKJ-QGZVFWFLSA-N 1 1 390.386 3.947 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500148216 841518121 /nfs/dbraw/zinc/51/81/21/841518121.db2.gz JZXMXTNVPLDBAH-APWZRJJASA-N 1 1 381.476 3.509 20 5 GHBDMO Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000613779281 841595416 /nfs/dbraw/zinc/59/54/16/841595416.db2.gz OUVYBLSFWUOWJI-GOSISDBHSA-N 1 1 382.464 3.937 20 5 GHBDMO Cc1noc(C2(C)CC[NH+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)n1 ZINC000549545535 841697872 /nfs/dbraw/zinc/69/78/72/841697872.db2.gz ZCNHTEPIQSYOGS-UHFFFAOYSA-N 1 1 384.358 3.859 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000015049181 841821165 /nfs/dbraw/zinc/82/11/65/841821165.db2.gz PVCNXKQIHTUJHD-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000015049181 841821172 /nfs/dbraw/zinc/82/11/72/841821172.db2.gz PVCNXKQIHTUJHD-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133265 841849027 /nfs/dbraw/zinc/84/90/27/841849027.db2.gz PSBWARHDUJUQDL-PGRDOPGGSA-N 1 1 397.475 3.941 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126743375 842014338 /nfs/dbraw/zinc/01/43/38/842014338.db2.gz SHXFWOPIMAEKIE-JKSUJKDBSA-N 1 1 386.471 3.898 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000432331357 842031559 /nfs/dbraw/zinc/03/15/59/842031559.db2.gz MDNWECLKWXQHEI-CALCHBBNSA-N 1 1 398.507 3.859 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000603867953 861297980 /nfs/dbraw/zinc/29/79/80/861297980.db2.gz GRILPQRZCTWMBR-GOSISDBHSA-N 1 1 384.432 3.677 20 5 GHBDMO CN(C(=O)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000603890276 861336432 /nfs/dbraw/zinc/33/64/32/861336432.db2.gz XHJDBHUXKDOQSO-QGZVFWFLSA-N 1 1 392.459 3.919 20 5 GHBDMO COc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1OC(F)F ZINC000510519724 842904023 /nfs/dbraw/zinc/90/40/23/842904023.db2.gz IWCIXJPVMYBVSN-UHFFFAOYSA-N 1 1 393.390 3.527 20 5 GHBDMO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1 ZINC000510541046 842930821 /nfs/dbraw/zinc/93/08/21/842930821.db2.gz YCWBACKJGMMITG-FQEVSTJZSA-N 1 1 391.427 3.918 20 5 GHBDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)n2)c1 ZINC000279551297 843131767 /nfs/dbraw/zinc/13/17/67/843131767.db2.gz QWOTYXAEIXOZTA-CXAGYDPISA-N 1 1 378.436 3.812 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@H]1c1ccccc1 ZINC000302838117 861382768 /nfs/dbraw/zinc/38/27/68/861382768.db2.gz YGOPWPFMJGRWQQ-TZIWHRDSSA-N 1 1 394.475 3.688 20 5 GHBDMO COc1cc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])cc1F ZINC000512243728 843196473 /nfs/dbraw/zinc/19/64/73/843196473.db2.gz KVSLSIOQPCHSJR-JOCHJYFZSA-N 1 1 399.466 3.841 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000611171370 843423453 /nfs/dbraw/zinc/42/34/53/843423453.db2.gz DHZBLNKXIXNUBI-NRFANRHFSA-N 1 1 392.459 3.956 20 5 GHBDMO COc1cccc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000548445499 843614789 /nfs/dbraw/zinc/61/47/89/843614789.db2.gz SVNCXDRGFZNADA-UHFFFAOYSA-N 1 1 377.391 3.958 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](CC(N)=O)c1ccccc1 ZINC000549615640 843666065 /nfs/dbraw/zinc/66/60/65/843666065.db2.gz WRNPBYRCMXBDJC-MRXNPFEDSA-N 1 1 381.354 3.662 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000603965746 861460706 /nfs/dbraw/zinc/46/07/06/861460706.db2.gz JAZFXXNTDNMWHV-AWEZNQCLSA-N 1 1 397.431 3.950 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000433071367 845164388 /nfs/dbraw/zinc/16/43/88/845164388.db2.gz YAVWQJQEYAMXLL-SFHVURJKSA-N 1 1 397.475 3.984 20 5 GHBDMO COc1ccccc1C(C)(C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560427 845359559 /nfs/dbraw/zinc/35/95/59/845359559.db2.gz CGBGWRVKGGHTAU-FQEVSTJZSA-N 1 1 394.475 3.994 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000509784284 845378317 /nfs/dbraw/zinc/37/83/17/845378317.db2.gz VOJYCEPBKNMSTF-IRXDYDNUSA-N 1 1 376.501 3.635 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000071954822 845975214 /nfs/dbraw/zinc/97/52/14/845975214.db2.gz MCQCYLWQWNNBPN-HNNXBMFYSA-N 1 1 382.464 3.538 20 5 GHBDMO C[C@H](c1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000582051114 846153913 /nfs/dbraw/zinc/15/39/13/846153913.db2.gz HJMVXBSGIOSWBA-MRXNPFEDSA-N 1 1 397.475 3.904 20 5 GHBDMO CCc1cc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000072018802 846235644 /nfs/dbraw/zinc/23/56/44/846235644.db2.gz AYRFMXRHOQRQOP-IYBDPMFKSA-N 1 1 399.495 3.525 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000513691045 846347248 /nfs/dbraw/zinc/34/72/48/846347248.db2.gz QBBPNWPXIFXAFL-MRXNPFEDSA-N 1 1 376.869 3.965 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551448140 846383189 /nfs/dbraw/zinc/38/31/89/846383189.db2.gz SCKYYPAOTITRLF-UHFFFAOYSA-N 1 1 377.391 3.594 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551448140 846383199 /nfs/dbraw/zinc/38/31/99/846383199.db2.gz SCKYYPAOTITRLF-UHFFFAOYSA-N 1 1 377.391 3.594 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC3(CCO3)CC2)cc1OC ZINC000582134029 846452415 /nfs/dbraw/zinc/45/24/15/846452415.db2.gz NMPSNUGCNMEJQZ-OAHLLOKOSA-N 1 1 378.469 3.783 20 5 GHBDMO CCN(CCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513755961 846491553 /nfs/dbraw/zinc/49/15/53/846491553.db2.gz VJWOUEDOJUYJEI-NRFANRHFSA-N 1 1 393.491 3.924 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000551738733 846492674 /nfs/dbraw/zinc/49/26/74/846492674.db2.gz MPJRURYZAGFEKV-UHFFFAOYSA-N 1 1 377.391 3.594 20 5 GHBDMO Cc1c(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000280698646 846494655 /nfs/dbraw/zinc/49/46/55/846494655.db2.gz HMFBUTDQSXFYGN-MFKMUULPSA-N 1 1 399.289 3.612 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000501095206 846635957 /nfs/dbraw/zinc/63/59/57/846635957.db2.gz AVQPHPRTINTLCI-FZMZJTMJSA-N 1 1 399.289 3.694 20 5 GHBDMO Cc1cc(N2CCC(Nc3nccc4ccc([N+](=O)[O-])cc43)CC2)nc(C)[nH+]1 ZINC000413181853 846874282 /nfs/dbraw/zinc/87/42/82/846874282.db2.gz RFPHMYPGVCOFSJ-UHFFFAOYSA-N 1 1 378.436 3.631 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000127652816 847209969 /nfs/dbraw/zinc/20/99/69/847209969.db2.gz NBITXWKAYYUCEF-UHFFFAOYSA-N 1 1 382.464 3.604 20 5 GHBDMO COC(=O)c1ccc(-c2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])co2)cc1 ZINC000511135117 847361813 /nfs/dbraw/zinc/36/18/13/847361813.db2.gz DRCKJCBQDHMNCQ-UHFFFAOYSA-N 1 1 395.415 3.711 20 5 GHBDMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])co2)cc1 ZINC000511135117 847361822 /nfs/dbraw/zinc/36/18/22/847361822.db2.gz DRCKJCBQDHMNCQ-UHFFFAOYSA-N 1 1 395.415 3.711 20 5 GHBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000421054891 847647074 /nfs/dbraw/zinc/64/70/74/847647074.db2.gz IVYITRYECUTCNK-KRWDZBQOSA-N 1 1 384.436 3.945 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000502455288 847911483 /nfs/dbraw/zinc/91/14/83/847911483.db2.gz JQUQZPGUYSWVBH-WBVHZDCISA-N 1 1 379.526 3.846 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc([N+](=O)[O-])s3)C2)s1 ZINC000567768013 861862954 /nfs/dbraw/zinc/86/29/54/861862954.db2.gz WNIXLZSSNIOGLR-CYBMUJFWSA-N 1 1 379.507 3.620 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000611935611 848345083 /nfs/dbraw/zinc/34/50/83/848345083.db2.gz ZVFRZGSUYFGMMB-OAQYLSRUSA-N 1 1 396.491 3.659 20 5 GHBDMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000029724833 862049037 /nfs/dbraw/zinc/04/90/37/862049037.db2.gz WFHKAEKQEHFVRL-JTQLQIEISA-N 1 1 382.258 3.559 20 5 GHBDMO C[C@H](CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000536010863 849787212 /nfs/dbraw/zinc/78/72/12/849787212.db2.gz CRQHYASTEHXQHN-QGZVFWFLSA-N 1 1 396.491 3.573 20 5 GHBDMO Cc1ccc(Sc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000434990591 849978661 /nfs/dbraw/zinc/97/86/61/849978661.db2.gz JOFBJFNQDKZUAF-MRXNPFEDSA-N 1 1 385.489 3.752 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000843740082 850295229 /nfs/dbraw/zinc/29/52/29/850295229.db2.gz KAJWNMKQUYQHDO-PKOBYXMFSA-N 1 1 395.459 3.507 20 5 GHBDMO [NH3+]C[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435386937 850453955 /nfs/dbraw/zinc/45/39/55/850453955.db2.gz ZCQRTPRTFRIYTF-GFCCVEGCSA-N 1 1 394.269 3.788 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)Nc1ccc(C)cc1Cl ZINC000425371799 850477462 /nfs/dbraw/zinc/47/74/62/850477462.db2.gz QXQIGKHJSRAHBR-UHFFFAOYSA-N 1 1 377.828 3.684 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000439871965 850519310 /nfs/dbraw/zinc/51/93/10/850519310.db2.gz ATRDHIJOICMMLT-HUUCEWRRSA-N 1 1 390.484 3.768 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc(C(F)(F)F)c1 ZINC000487191053 850549555 /nfs/dbraw/zinc/54/95/55/850549555.db2.gz VNCNCAUEIYAEKV-UHFFFAOYSA-N 1 1 382.264 3.662 20 5 GHBDMO CCNc1ccc(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487318985 850674011 /nfs/dbraw/zinc/67/40/11/850674011.db2.gz ZWQAAOVQSFJFDJ-VQIMIIECSA-N 1 1 396.491 3.667 20 5 GHBDMO Cc1cccc([C@@H]2CC[N@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C2)c1 ZINC000784027141 850694421 /nfs/dbraw/zinc/69/44/21/850694421.db2.gz UPBNLGPEGVNTRB-GOSISDBHSA-N 1 1 380.448 3.592 20 5 GHBDMO Cc1cccc([C@@H]2CC[N@@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C2)c1 ZINC000784027141 850694427 /nfs/dbraw/zinc/69/44/27/850694427.db2.gz UPBNLGPEGVNTRB-GOSISDBHSA-N 1 1 380.448 3.592 20 5 GHBDMO CCc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000425002033 850841414 /nfs/dbraw/zinc/84/14/14/850841414.db2.gz FDFKLEMMQSCXPJ-PZJWPPBQSA-N 1 1 379.460 3.504 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434448099 851122191 /nfs/dbraw/zinc/12/21/91/851122191.db2.gz ZDMAMECKJQNOEI-INIZCTEOSA-N 1 1 377.510 3.844 20 5 GHBDMO C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+]1CCC[C@H](C)C1 ZINC000436101684 851199853 /nfs/dbraw/zinc/19/98/53/851199853.db2.gz QMXOKPFRDFQPCT-JKSUJKDBSA-N 1 1 377.488 3.532 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000514182641 851335877 /nfs/dbraw/zinc/33/58/77/851335877.db2.gz IMGAEOBNGJUWLU-SFHVURJKSA-N 1 1 397.475 3.948 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436256606 851386518 /nfs/dbraw/zinc/38/65/18/851386518.db2.gz AMDKBJCPXAWPKN-MRXNPFEDSA-N 1 1 376.457 3.522 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000570119771 851397145 /nfs/dbraw/zinc/39/71/45/851397145.db2.gz JWJNEUJCXSZFOG-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000570119771 851397153 /nfs/dbraw/zinc/39/71/53/851397153.db2.gz JWJNEUJCXSZFOG-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000505793514 851457188 /nfs/dbraw/zinc/45/71/88/851457188.db2.gz UWRDYEYFNSODLB-CYBMUJFWSA-N 1 1 376.482 3.668 20 5 GHBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000488398833 851469497 /nfs/dbraw/zinc/46/94/97/851469497.db2.gz QRZFNLJNHGQNPC-INIZCTEOSA-N 1 1 396.491 3.576 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000488529585 851585880 /nfs/dbraw/zinc/58/58/80/851585880.db2.gz JDBSPCJNFLGOSV-YJBOKZPZSA-N 1 1 399.516 3.957 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132814586 862278002 /nfs/dbraw/zinc/27/80/02/862278002.db2.gz YADAAYGRJFRPPU-OAHLLOKOSA-N 1 1 385.439 3.896 20 5 GHBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488767810 851756670 /nfs/dbraw/zinc/75/66/70/851756670.db2.gz KZQFTPFJHVDUEC-YZVOILCLSA-N 1 1 381.480 3.527 20 5 GHBDMO CCOc1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)ccc1[N+](=O)[O-] ZINC000489005879 851934043 /nfs/dbraw/zinc/93/40/43/851934043.db2.gz CPWZZPFEVPBTJY-OAHLLOKOSA-N 1 1 375.400 3.571 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)ccc1[N+](=O)[O-] ZINC000489005879 851934048 /nfs/dbraw/zinc/93/40/48/851934048.db2.gz CPWZZPFEVPBTJY-OAHLLOKOSA-N 1 1 375.400 3.571 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000516169424 852238221 /nfs/dbraw/zinc/23/82/21/852238221.db2.gz XQHOUXYFVXJUHA-UHFFFAOYSA-N 1 1 377.391 3.594 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+](CCO)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000505887421 852392716 /nfs/dbraw/zinc/39/27/16/852392716.db2.gz ZMFHIOGVQKQANC-UHFFFAOYSA-N 1 1 382.416 3.858 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000150804615 852409355 /nfs/dbraw/zinc/40/93/55/852409355.db2.gz NSVNUOINKIAATD-NVXWUHKLSA-N 1 1 377.485 3.763 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000505906370 852546637 /nfs/dbraw/zinc/54/66/37/852546637.db2.gz NQDJQEKVDTUSSC-DLBZAZTESA-N 1 1 391.537 3.800 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000506299966 852631349 /nfs/dbraw/zinc/63/13/49/852631349.db2.gz YBAKNFLJHASTDZ-GOEBONIOSA-N 1 1 384.436 3.560 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000507359147 852803335 /nfs/dbraw/zinc/80/33/35/852803335.db2.gz ODIIJEUXNCSJPV-QGZVFWFLSA-N 1 1 396.491 3.811 20 5 GHBDMO CC[N@H+](CCC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000507349677 852815994 /nfs/dbraw/zinc/81/59/94/852815994.db2.gz WKRIDOXCXRYHIW-UHFFFAOYSA-N 1 1 377.485 3.521 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000507349677 852815996 /nfs/dbraw/zinc/81/59/96/852815996.db2.gz WKRIDOXCXRYHIW-UHFFFAOYSA-N 1 1 377.485 3.521 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000437203205 852856374 /nfs/dbraw/zinc/85/63/74/852856374.db2.gz ZHJVKXGIUGYMOE-UHFFFAOYSA-N 1 1 395.381 3.995 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cc(OC)c1 ZINC000490551304 853086945 /nfs/dbraw/zinc/08/69/45/853086945.db2.gz YIBLBDWFWBPHJF-HNNXBMFYSA-N 1 1 389.427 3.828 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cc(OC)c1 ZINC000490551304 853086955 /nfs/dbraw/zinc/08/69/55/853086955.db2.gz YIBLBDWFWBPHJF-HNNXBMFYSA-N 1 1 389.427 3.828 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000437878040 853180343 /nfs/dbraw/zinc/18/03/43/853180343.db2.gz QTRHACRBRIOKNH-QGZVFWFLSA-N 1 1 375.469 3.520 20 5 GHBDMO O=C1c2ccccc2C(=O)N1CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490805077 853274315 /nfs/dbraw/zinc/27/43/15/853274315.db2.gz WKMQPLMQEOZFNB-UHFFFAOYSA-N 1 1 393.443 3.636 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)COCc2ccccc2Cl)C2CC2)cc1 ZINC000490824091 853276754 /nfs/dbraw/zinc/27/67/54/853276754.db2.gz GRNJPLXWZRXLBV-IBGZPJMESA-N 1 1 390.867 3.790 20 5 GHBDMO COc1cccc(C2=CC[N@@H+](CCOc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000437606892 853320057 /nfs/dbraw/zinc/32/00/57/853320057.db2.gz UMVQRGNVWKOZCV-UHFFFAOYSA-N 1 1 384.432 3.780 20 5 GHBDMO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506113355 853450354 /nfs/dbraw/zinc/45/03/54/853450354.db2.gz NIOYLNUVVWROSM-INIZCTEOSA-N 1 1 389.839 3.880 20 5 GHBDMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506113355 853450369 /nfs/dbraw/zinc/45/03/69/853450369.db2.gz NIOYLNUVVWROSM-INIZCTEOSA-N 1 1 389.839 3.880 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)C/C(C)=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000426393872 853680970 /nfs/dbraw/zinc/68/09/70/853680970.db2.gz HPKPTGMOAGSGLV-LFIBNONCSA-N 1 1 384.432 3.682 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000249704330 854322713 /nfs/dbraw/zinc/32/27/13/854322713.db2.gz LSNRSXNNFGKRTF-BRWVUGGUSA-N 1 1 397.475 3.695 20 5 GHBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000056398698 854702974 /nfs/dbraw/zinc/70/29/74/854702974.db2.gz MXDYMASVBSTAOA-UHFFFAOYSA-N 1 1 396.422 3.563 20 5 GHBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000056398698 854702982 /nfs/dbraw/zinc/70/29/82/854702982.db2.gz MXDYMASVBSTAOA-UHFFFAOYSA-N 1 1 396.422 3.563 20 5 GHBDMO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000589205726 854749471 /nfs/dbraw/zinc/74/94/71/854749471.db2.gz GXMRXWKMOOYERB-CYBMUJFWSA-N 1 1 389.839 3.751 20 5 GHBDMO Cc1ccc(N2CCC(Nc3ncc([N+](=O)[O-])cc3Br)CC2)[nH+]c1 ZINC000301519278 855189837 /nfs/dbraw/zinc/18/98/37/855189837.db2.gz GGDLXGOXBNHCEW-UHFFFAOYSA-N 1 1 392.257 3.537 20 5 GHBDMO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000590196234 855317424 /nfs/dbraw/zinc/31/74/24/855317424.db2.gz STTUJLIKUMSPLU-DJJJIMSYSA-N 1 1 389.402 3.715 20 5 GHBDMO O=C1NCCc2ccc(C[NH2+][C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cc21 ZINC000542683307 855421610 /nfs/dbraw/zinc/42/16/10/855421610.db2.gz OXLWVMUTQOUOJD-JOCHJYFZSA-N 1 1 387.439 3.760 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590441066 855421664 /nfs/dbraw/zinc/42/16/64/855421664.db2.gz AGCUXWFAUKEDTM-DOTOQJQBSA-N 1 1 377.510 3.509 20 5 GHBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)[C@H]2C1 ZINC000590447567 855425645 /nfs/dbraw/zinc/42/56/45/855425645.db2.gz XVVPZUQGCSVRNN-QAPCUYQASA-N 1 1 389.521 3.653 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000590685966 855530573 /nfs/dbraw/zinc/53/05/73/855530573.db2.gz LXAFNBAQVYGVEV-OAHLLOKOSA-N 1 1 379.338 3.530 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000590685966 855530577 /nfs/dbraw/zinc/53/05/77/855530577.db2.gz LXAFNBAQVYGVEV-OAHLLOKOSA-N 1 1 379.338 3.530 20 5 GHBDMO C[C@@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000465666044 855544700 /nfs/dbraw/zinc/54/47/00/855544700.db2.gz RGPPJRDXUZQEFR-QZTJIDSGSA-N 1 1 396.491 3.962 20 5 GHBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000590765830 855567392 /nfs/dbraw/zinc/56/73/92/855567392.db2.gz LGNSOZCGYPOKKL-UHFFFAOYSA-N 1 1 389.418 3.712 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000184694561 855592232 /nfs/dbraw/zinc/59/22/32/855592232.db2.gz DPRZQDUEAGCTSZ-PKOBYXMFSA-N 1 1 375.513 3.792 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172581120 855963306 /nfs/dbraw/zinc/96/33/06/855963306.db2.gz SVVKMRJFJDYQBL-OAHLLOKOSA-N 1 1 385.468 3.656 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171140589 855977650 /nfs/dbraw/zinc/97/76/50/855977650.db2.gz GAGSKOBCDDNHBJ-UHFFFAOYSA-N 1 1 382.464 3.971 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000573281757 856009121 /nfs/dbraw/zinc/00/91/21/856009121.db2.gz SJTRVNGKYZSNCL-DYVFJYSZSA-N 1 1 396.451 3.565 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542871704 856237459 /nfs/dbraw/zinc/23/74/59/856237459.db2.gz AIXFQKBUMIPTIZ-ZDUSSCGKSA-N 1 1 385.411 3.581 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000573472327 856247733 /nfs/dbraw/zinc/24/77/33/856247733.db2.gz YRHBIGYSOCHENT-JYRVWZFOSA-N 1 1 379.258 3.589 20 5 GHBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000159506772 862781379 /nfs/dbraw/zinc/78/13/79/862781379.db2.gz ZXSGWUYYXAVODF-VXGBXAGGSA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132656 856677793 /nfs/dbraw/zinc/67/77/93/856677793.db2.gz MHESRIUZFBWBKH-RBPBXQJFSA-N 1 1 398.503 3.865 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000173029872 856696528 /nfs/dbraw/zinc/69/65/28/856696528.db2.gz XJSYORAXQWOICX-UHFFFAOYSA-N 1 1 387.867 3.525 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000173029872 856696535 /nfs/dbraw/zinc/69/65/35/856696535.db2.gz XJSYORAXQWOICX-UHFFFAOYSA-N 1 1 387.867 3.525 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173804319 857158721 /nfs/dbraw/zinc/15/87/21/857158721.db2.gz RTPUCWXKKZMMJE-CQSZACIVSA-N 1 1 388.493 3.522 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[C@H](SCC)C2)c([N+](=O)[O-])c1 ZINC000173867938 857170441 /nfs/dbraw/zinc/17/04/41/857170441.db2.gz UKRMAMAQNWFNAA-ZFWWWQNUSA-N 1 1 381.498 3.538 20 5 GHBDMO Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])sc1C ZINC000173957610 857186340 /nfs/dbraw/zinc/18/63/40/857186340.db2.gz GMPXYLQKBXYXBP-UHFFFAOYSA-N 1 1 382.873 3.785 20 5 GHBDMO CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000485951230 857242592 /nfs/dbraw/zinc/24/25/92/857242592.db2.gz HVCSKIQDDDGJJL-ICSRJNTNSA-N 1 1 397.479 3.563 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC000552961657 857373611 /nfs/dbraw/zinc/37/36/11/857373611.db2.gz LDAWCLIJAHISBA-CQSZACIVSA-N 1 1 384.436 3.894 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043342895 857388992 /nfs/dbraw/zinc/38/89/92/857388992.db2.gz IMEVXKCOAVXTNT-UHFFFAOYSA-N 1 1 388.855 3.906 20 5 GHBDMO CCS[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000246543200 857404652 /nfs/dbraw/zinc/40/46/52/857404652.db2.gz BYPSENXMLLZXIT-HIFRSBDPSA-N 1 1 381.498 3.538 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1cccs1)C1CC1 ZINC000027109473 857444250 /nfs/dbraw/zinc/44/42/50/857444250.db2.gz YKZGVIQBHSCFFL-UHFFFAOYSA-N 1 1 375.450 3.658 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000486227169 857567797 /nfs/dbraw/zinc/56/77/97/857567797.db2.gz BRHJUZQAIMEQHQ-HOCLYGCPSA-N 1 1 385.489 3.882 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000486375185 857688231 /nfs/dbraw/zinc/68/82/31/857688231.db2.gz SMGFGPOGRFRWBG-TYPHKJRUSA-N 1 1 392.459 3.785 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000323699069 857694033 /nfs/dbraw/zinc/69/40/33/857694033.db2.gz FODGVMKMAFNWBN-HNNXBMFYSA-N 1 1 387.867 3.842 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000301798715 857767890 /nfs/dbraw/zinc/76/78/90/857767890.db2.gz RXYJSSVXVVEPRI-UHFFFAOYSA-N 1 1 377.391 3.594 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000301798715 857767899 /nfs/dbraw/zinc/76/78/99/857767899.db2.gz RXYJSSVXVVEPRI-UHFFFAOYSA-N 1 1 377.391 3.594 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249966149 857793513 /nfs/dbraw/zinc/79/35/13/857793513.db2.gz KBLDOJDBKBNJHP-IIBYNOLFSA-N 1 1 392.459 3.650 20 5 GHBDMO CN(c1ccccc1)C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000065956315 857892570 /nfs/dbraw/zinc/89/25/70/857892570.db2.gz LPIYXTVKFLFIOQ-UHFFFAOYSA-N 1 1 393.447 3.746 20 5 GHBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114107713 857899992 /nfs/dbraw/zinc/89/99/92/857899992.db2.gz WDTYURMYBDDVRI-UHFFFAOYSA-N 1 1 397.479 3.523 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000059060962 858000515 /nfs/dbraw/zinc/00/05/15/858000515.db2.gz GHOBPVZWRFQKLX-HDICACEKSA-N 1 1 395.503 3.932 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000114424945 858022304 /nfs/dbraw/zinc/02/23/04/858022304.db2.gz XVPDDKGIAKXIEB-OAHLLOKOSA-N 1 1 393.365 3.618 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001127162977 858174280 /nfs/dbraw/zinc/17/42/80/858174280.db2.gz RUZRWKLWBQDXAV-LSDHHAIUSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001127162977 858174288 /nfs/dbraw/zinc/17/42/88/858174288.db2.gz RUZRWKLWBQDXAV-LSDHHAIUSA-N 1 1 387.867 3.983 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000066853207 858322335 /nfs/dbraw/zinc/32/23/35/858322335.db2.gz KQNMNNLVJMVQPE-YWZLYKJASA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000066853207 858322337 /nfs/dbraw/zinc/32/23/37/858322337.db2.gz KQNMNNLVJMVQPE-YWZLYKJASA-N 1 1 383.448 3.694 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000595022817 858355167 /nfs/dbraw/zinc/35/51/67/858355167.db2.gz OJSDSLRVKLDHFK-JKSUJKDBSA-N 1 1 384.480 3.875 20 5 GHBDMO CC(C)(C)[N@H+]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000574873142 858402370 /nfs/dbraw/zinc/40/23/70/858402370.db2.gz ZGEYZWYJLAENKX-UHFFFAOYSA-N 1 1 396.360 3.955 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]C2CCN([C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000595102731 858405578 /nfs/dbraw/zinc/40/55/78/858405578.db2.gz LNMIMKBCFHKTRV-FCHUYYIVSA-N 1 1 381.476 3.527 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595790387 858688902 /nfs/dbraw/zinc/68/89/02/858688902.db2.gz PKAXVLZJHRNZJY-VQIMIIECSA-N 1 1 375.469 3.513 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595830157 858701514 /nfs/dbraw/zinc/70/15/14/858701514.db2.gz CJWGKIVSMUNFHK-OAHLLOKOSA-N 1 1 394.374 3.858 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595830157 858701519 /nfs/dbraw/zinc/70/15/19/858701519.db2.gz CJWGKIVSMUNFHK-OAHLLOKOSA-N 1 1 394.374 3.858 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(CN4CCc5ccccc54)CC3)nc2c1 ZINC000482690007 858764765 /nfs/dbraw/zinc/76/47/65/858764765.db2.gz GKHLDKVHDVOCLT-UHFFFAOYSA-N 1 1 391.475 3.746 20 5 GHBDMO CC(C)OCc1ccccc1CNC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429262261 858851016 /nfs/dbraw/zinc/85/10/16/858851016.db2.gz FGRUXMYIJXETTE-UHFFFAOYSA-N 1 1 399.491 3.661 20 5 GHBDMO Cc1ccc([C@H](NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000429266959 858868519 /nfs/dbraw/zinc/86/85/19/858868519.db2.gz LFPMMCGWCDWGMA-NRFANRHFSA-N 1 1 381.476 3.995 20 5 GHBDMO C[NH+](C)[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000482909497 858969444 /nfs/dbraw/zinc/96/94/44/858969444.db2.gz GPLYANHDBXQYFX-QGZVFWFLSA-N 1 1 396.274 3.863 20 5 GHBDMO COc1ccc(C[C@H](C)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC001170334793 881380936 /nfs/dbraw/zinc/38/09/36/881380936.db2.gz IOMNUGYVEFVKIL-ONGXBYRLSA-N 1 1 399.491 3.785 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC001170334793 881380952 /nfs/dbraw/zinc/38/09/52/881380952.db2.gz IOMNUGYVEFVKIL-ONGXBYRLSA-N 1 1 399.491 3.785 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H]3[C@H]2CCN3Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC001170334793 881380968 /nfs/dbraw/zinc/38/09/68/881380968.db2.gz IOMNUGYVEFVKIL-ONGXBYRLSA-N 1 1 399.491 3.785 20 5 GHBDMO Cc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000160683001 859114799 /nfs/dbraw/zinc/11/47/99/859114799.db2.gz HLCIVMIPQNEEGC-UHFFFAOYSA-N 1 1 392.463 3.553 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483123179 859163940 /nfs/dbraw/zinc/16/39/40/859163940.db2.gz YGRWXKSDTYTWGS-ZFWWWQNUSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483123179 859163945 /nfs/dbraw/zinc/16/39/45/859163945.db2.gz YGRWXKSDTYTWGS-ZFWWWQNUSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc(C[C@@H](C)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170354868 881393779 /nfs/dbraw/zinc/39/37/79/881393779.db2.gz QWSAXIRJEYNJHA-LLBVYWAGSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170354868 881393853 /nfs/dbraw/zinc/39/38/53/881393853.db2.gz QWSAXIRJEYNJHA-LLBVYWAGSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170354868 881393898 /nfs/dbraw/zinc/39/38/98/881393898.db2.gz QWSAXIRJEYNJHA-LLBVYWAGSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC001170354050 881394757 /nfs/dbraw/zinc/39/47/57/881394757.db2.gz HOMCSXGDCZYCOM-APWZRJJASA-N 1 1 385.464 3.781 20 5 GHBDMO Cc1ccc(OC2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cc1 ZINC000116883492 859209636 /nfs/dbraw/zinc/20/96/36/859209636.db2.gz XIOHXYKHFKJTMJ-UHFFFAOYSA-N 1 1 384.432 3.813 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000543316896 859248704 /nfs/dbraw/zinc/24/87/04/859248704.db2.gz LWINFWOAPAAYKI-UHFFFAOYSA-N 1 1 392.506 3.549 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000543316896 859248719 /nfs/dbraw/zinc/24/87/19/859248719.db2.gz LWINFWOAPAAYKI-UHFFFAOYSA-N 1 1 392.506 3.549 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000597206615 859345877 /nfs/dbraw/zinc/34/58/77/859345877.db2.gz SUZXMXCAQIGWRA-FUHWJXTLSA-N 1 1 392.402 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000597206615 859345886 /nfs/dbraw/zinc/34/58/86/859345886.db2.gz SUZXMXCAQIGWRA-FUHWJXTLSA-N 1 1 392.402 3.794 20 5 GHBDMO CCC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CCCCC1 ZINC000060495631 859353830 /nfs/dbraw/zinc/35/38/30/859353830.db2.gz XPRCQTKGDSFNFA-UHFFFAOYSA-N 1 1 377.441 3.554 20 5 GHBDMO O=[N+]([O-])c1c(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc2sccn21 ZINC000474169004 859495781 /nfs/dbraw/zinc/49/57/81/859495781.db2.gz JFDRBTDKMPLRQL-FQEVSTJZSA-N 1 1 397.504 3.797 20 5 GHBDMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC2)CC1 ZINC000597407784 859509365 /nfs/dbraw/zinc/50/93/65/859509365.db2.gz MPFUSNRTZNEJLB-UHFFFAOYSA-N 1 1 398.511 3.574 20 5 GHBDMO COc1ccc(OC2CC[NH+](Cn3nc(C)c4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000764900040 859667013 /nfs/dbraw/zinc/66/70/13/859667013.db2.gz SBWNKPBROBKALO-UHFFFAOYSA-N 1 1 396.447 3.762 20 5 GHBDMO COCC[N@H+](Cc1ccc(C)cc1C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000611257413 859669414 /nfs/dbraw/zinc/66/94/14/859669414.db2.gz WLGIGGKNKZQYJO-UHFFFAOYSA-N 1 1 388.464 3.877 20 5 GHBDMO COCC[N@@H+](Cc1ccc(C)cc1C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000611257413 859669416 /nfs/dbraw/zinc/66/94/16/859669416.db2.gz WLGIGGKNKZQYJO-UHFFFAOYSA-N 1 1 388.464 3.877 20 5 GHBDMO CC1CCC(OC2CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)CC1 ZINC000611271232 859674525 /nfs/dbraw/zinc/67/45/25/859674525.db2.gz PYNZYQDYOQMGQF-UHFFFAOYSA-N 1 1 390.480 3.926 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](CCCO)C2CC2)cc1 ZINC000611271611 859675539 /nfs/dbraw/zinc/67/55/39/859675539.db2.gz QPSWZGKMXBHGBK-UHFFFAOYSA-N 1 1 392.459 3.794 20 5 GHBDMO Cc1c([C@@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000161187434 859679077 /nfs/dbraw/zinc/67/90/77/859679077.db2.gz GAECXGBIHVLOKZ-QGZVFWFLSA-N 1 1 383.492 3.711 20 5 GHBDMO Cc1ccc([C@@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000161180674 859679678 /nfs/dbraw/zinc/67/96/78/859679678.db2.gz QEYNFQCQXDPIEE-QGZVFWFLSA-N 1 1 383.492 3.711 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000611281882 859680790 /nfs/dbraw/zinc/68/07/90/859680790.db2.gz UWRDYTFCSHLKOP-LJQANCHMSA-N 1 1 381.476 3.867 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765013179 859728218 /nfs/dbraw/zinc/72/82/18/859728218.db2.gz GTEQONMHMCWTJY-MRXNPFEDSA-N 1 1 396.422 3.944 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765013179 859728226 /nfs/dbraw/zinc/72/82/26/859728226.db2.gz GTEQONMHMCWTJY-MRXNPFEDSA-N 1 1 396.422 3.944 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccnn3-c3ccc(F)cc3)CC2)cc1 ZINC000474270745 859739012 /nfs/dbraw/zinc/73/90/12/859739012.db2.gz VRSVUXQXBUIPDL-UHFFFAOYSA-N 1 1 396.422 3.963 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000161306870 859821199 /nfs/dbraw/zinc/82/11/99/859821199.db2.gz MFZLAHWLGUKZMF-MAUKXSAKSA-N 1 1 391.537 3.899 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000494288462 881470175 /nfs/dbraw/zinc/47/01/75/881470175.db2.gz SHJWONJZXMYHSG-RTYFKUQISA-N 1 1 383.448 3.966 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000494288462 881470182 /nfs/dbraw/zinc/47/01/82/881470182.db2.gz SHJWONJZXMYHSG-RTYFKUQISA-N 1 1 383.448 3.966 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000597861886 859878009 /nfs/dbraw/zinc/87/80/09/859878009.db2.gz XRXSDISPCWWTFP-QGZVFWFLSA-N 1 1 397.475 3.776 20 5 GHBDMO CCc1ccc([C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)cc1 ZINC000484350925 859969087 /nfs/dbraw/zinc/96/90/87/859969087.db2.gz HBUAPJYTIREUOI-NRFANRHFSA-N 1 1 397.475 3.868 20 5 GHBDMO CCc1ccc([C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)cc1 ZINC000484350925 859969093 /nfs/dbraw/zinc/96/90/93/859969093.db2.gz HBUAPJYTIREUOI-NRFANRHFSA-N 1 1 397.475 3.868 20 5 GHBDMO COc1ccc(OCC[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484364398 859973424 /nfs/dbraw/zinc/97/34/24/859973424.db2.gz XAMOYIXCYACSND-HNNXBMFYSA-N 1 1 376.375 3.893 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1Br ZINC000602479892 860049652 /nfs/dbraw/zinc/04/96/52/860049652.db2.gz RRGUTFBWQVIGCF-LLVKDONJSA-N 1 1 375.288 3.667 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1Br ZINC000602479892 860049666 /nfs/dbraw/zinc/04/96/66/860049666.db2.gz RRGUTFBWQVIGCF-LLVKDONJSA-N 1 1 375.288 3.667 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000602516582 860069705 /nfs/dbraw/zinc/06/97/05/860069705.db2.gz NUCMTOGYJGRSKO-UHFFFAOYSA-N 1 1 394.397 3.763 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000092787059 860128391 /nfs/dbraw/zinc/12/83/91/860128391.db2.gz DNIOUUAIUFJSJA-UHFFFAOYSA-N 1 1 380.448 3.944 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000060845254 860174755 /nfs/dbraw/zinc/17/47/55/860174755.db2.gz MTRSFLSSRKAKMB-OKILXGFUSA-N 1 1 375.494 3.907 20 5 GHBDMO COCc1csc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c1 ZINC000602708994 860223071 /nfs/dbraw/zinc/22/30/71/860223071.db2.gz FOUDNVVGZHQZQX-UHFFFAOYSA-N 1 1 377.285 3.917 20 5 GHBDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000093481534 860284149 /nfs/dbraw/zinc/28/41/49/860284149.db2.gz RBVORMJIYHWLCT-LLVKDONJSA-N 1 1 383.242 3.820 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154942108 860337727 /nfs/dbraw/zinc/33/77/27/860337727.db2.gz JIYIKGXHYIZUCS-SFHVURJKSA-N 1 1 382.464 3.808 20 5 GHBDMO COc1cc(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1F ZINC000602923275 860370693 /nfs/dbraw/zinc/37/06/93/860370693.db2.gz CSCUZIRIPDVVQE-OAHLLOKOSA-N 1 1 386.782 3.748 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)cc1OC(F)F ZINC000301336831 860456520 /nfs/dbraw/zinc/45/65/20/860456520.db2.gz DGMOOJFHIWJWPV-UHFFFAOYSA-N 1 1 377.391 3.909 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000484905363 860460819 /nfs/dbraw/zinc/46/08/19/860460819.db2.gz CBGQRTQSJHAQMR-HXUWFJFHSA-N 1 1 381.476 3.556 20 5 GHBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)OCc3csc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000108750570 860509728 /nfs/dbraw/zinc/50/97/28/860509728.db2.gz MVZKOBJGVJIDKB-ZIAGYGMSSA-N 1 1 390.461 3.623 20 5 GHBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484942907 860512703 /nfs/dbraw/zinc/51/27/03/860512703.db2.gz RMVKARFENHLQSM-DLBZAZTESA-N 1 1 399.878 3.842 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000552625416 860547744 /nfs/dbraw/zinc/54/77/44/860547744.db2.gz OZIMTLYGHZRNOT-FQEVSTJZSA-N 1 1 381.476 3.713 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000552625416 860547751 /nfs/dbraw/zinc/54/77/51/860547751.db2.gz OZIMTLYGHZRNOT-FQEVSTJZSA-N 1 1 381.476 3.713 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000603601994 860887987 /nfs/dbraw/zinc/88/79/87/860887987.db2.gz SAUKTQOGUVQJHI-KRWDZBQOSA-N 1 1 385.489 3.711 20 5 GHBDMO CC1(C)CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000609192483 881615126 /nfs/dbraw/zinc/61/51/26/881615126.db2.gz GSXOBMLQJCMLHF-UHFFFAOYSA-N 1 1 392.459 3.813 20 5 GHBDMO CC1(C)CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000609192483 881615133 /nfs/dbraw/zinc/61/51/33/881615133.db2.gz GSXOBMLQJCMLHF-UHFFFAOYSA-N 1 1 392.459 3.813 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000733754366 863146681 /nfs/dbraw/zinc/14/66/81/863146681.db2.gz YJVFYXPZEDKOPB-HZPDHXFCSA-N 1 1 376.526 3.878 20 5 GHBDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444243450 863744499 /nfs/dbraw/zinc/74/44/99/863744499.db2.gz PYINMKZXKSWHKE-KRWDZBQOSA-N 1 1 385.464 3.803 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000137467714 863981594 /nfs/dbraw/zinc/98/15/94/863981594.db2.gz FSPVQHOCJWSMBJ-WMLDXEAASA-N 1 1 387.867 3.570 20 5 GHBDMO C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC000172813655 863985150 /nfs/dbraw/zinc/98/51/50/863985150.db2.gz AIKIAVMMJIYINT-INIZCTEOSA-N 1 1 394.475 3.580 20 5 GHBDMO Cc1c(CNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000480065774 863986408 /nfs/dbraw/zinc/98/64/08/863986408.db2.gz XKCJOQCEMFBFGS-UHFFFAOYSA-N 1 1 384.480 3.613 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000173246098 864529817 /nfs/dbraw/zinc/52/98/17/864529817.db2.gz LVPFTKOHYHYPDE-UHFFFAOYSA-N 1 1 386.408 3.661 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000173246098 864529825 /nfs/dbraw/zinc/52/98/25/864529825.db2.gz LVPFTKOHYHYPDE-UHFFFAOYSA-N 1 1 386.408 3.661 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CCN2CCO[C@H](CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000494481554 881780262 /nfs/dbraw/zinc/78/02/62/881780262.db2.gz GYTUIEIQMWRVJB-TZIWHRDSSA-N 1 1 387.480 3.540 20 5 GHBDMO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475322599 864753829 /nfs/dbraw/zinc/75/38/29/864753829.db2.gz PTRCRZLAPLOSQW-LJQANCHMSA-N 1 1 394.475 3.516 20 5 GHBDMO C[C@@H](O)CC[N@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000173562436 864879006 /nfs/dbraw/zinc/87/90/06/864879006.db2.gz XMQCXQMCMLQMQX-ACJLOTCBSA-N 1 1 391.855 3.631 20 5 GHBDMO C[C@@H](O)CC[N@@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000173562436 864879021 /nfs/dbraw/zinc/87/90/21/864879021.db2.gz XMQCXQMCMLQMQX-ACJLOTCBSA-N 1 1 391.855 3.631 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)c3cccc([N+](=O)[O-])c3C)CC[N@H+]2C)cc1 ZINC000735905778 865046141 /nfs/dbraw/zinc/04/61/41/865046141.db2.gz WAIDFBOHAQNMOY-OXJNMPFZSA-N 1 1 384.432 3.762 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001127534177 881829980 /nfs/dbraw/zinc/82/99/80/881829980.db2.gz ZFNRRLPEZWECES-SFHVURJKSA-N 1 1 397.475 3.730 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001127534177 881829996 /nfs/dbraw/zinc/82/99/96/881829996.db2.gz ZFNRRLPEZWECES-SFHVURJKSA-N 1 1 397.475 3.730 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594195125 865341596 /nfs/dbraw/zinc/34/15/96/865341596.db2.gz CFEVLAHXINLBEU-SJORKVTESA-N 1 1 377.510 3.842 20 5 GHBDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000738054026 865488474 /nfs/dbraw/zinc/48/84/74/865488474.db2.gz FKFVCRKENXVANC-AEFFLSMTSA-N 1 1 377.448 3.997 20 5 GHBDMO Cc1cc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c(C)s1 ZINC000481178186 865931605 /nfs/dbraw/zinc/93/16/05/865931605.db2.gz VZXKDHNIXAYGHP-UHFFFAOYSA-N 1 1 385.493 3.862 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cccc1[N+](=O)[O-] ZINC000072716168 865951327 /nfs/dbraw/zinc/95/13/27/865951327.db2.gz CTDPAHRVCQJHFC-KRWDZBQOSA-N 1 1 375.469 3.655 20 5 GHBDMO C[C@@H](OC[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000153094811 881927393 /nfs/dbraw/zinc/92/73/93/881927393.db2.gz LSVJMVQSHKWGDF-KDOFPFPSSA-N 1 1 390.867 3.745 20 5 GHBDMO C[C@@H](OC[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000153094811 881927417 /nfs/dbraw/zinc/92/74/17/881927417.db2.gz LSVJMVQSHKWGDF-KDOFPFPSSA-N 1 1 390.867 3.745 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC000537633002 881930002 /nfs/dbraw/zinc/93/00/02/881930002.db2.gz CGVYCHCZFDOQHJ-ZDUSSCGKSA-N 1 1 382.342 3.575 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c(Cl)c1 ZINC000186588842 866219064 /nfs/dbraw/zinc/21/90/64/866219064.db2.gz OOUSYBWBEIWWOE-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000552835298 866301724 /nfs/dbraw/zinc/30/17/24/866301724.db2.gz HYULYANPFLCPHE-CQSZACIVSA-N 1 1 397.353 3.541 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000121434733 866373826 /nfs/dbraw/zinc/37/38/26/866373826.db2.gz FSDRXUHYWVAMJF-HIFRSBDPSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000121434733 866373839 /nfs/dbraw/zinc/37/38/39/866373839.db2.gz FSDRXUHYWVAMJF-HIFRSBDPSA-N 1 1 387.411 3.559 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](Cc2ccco2)C2CCCC2)cc1[N+](=O)[O-] ZINC000475582338 866428971 /nfs/dbraw/zinc/42/89/71/866428971.db2.gz SBGXKODNMDYZBN-UHFFFAOYSA-N 1 1 388.420 3.684 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000475583023 866433593 /nfs/dbraw/zinc/43/35/93/866433593.db2.gz VFTCOHBFFAESPK-ZDUSSCGKSA-N 1 1 392.839 3.993 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000534268268 866440352 /nfs/dbraw/zinc/44/03/52/866440352.db2.gz GTKUGEFBULZWRG-UHFFFAOYSA-N 1 1 379.526 3.899 20 5 GHBDMO COc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000456351408 866472568 /nfs/dbraw/zinc/47/25/68/866472568.db2.gz WWNUKANFDHELQQ-MRXNPFEDSA-N 1 1 397.475 3.506 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H]1c1cccs1 ZINC000741606864 866654631 /nfs/dbraw/zinc/65/46/31/866654631.db2.gz RSPXLQKUNDFNRG-YVEFUNNKSA-N 1 1 377.441 3.608 20 5 GHBDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440494414 866964884 /nfs/dbraw/zinc/96/48/84/866964884.db2.gz LVVAANGJNQUDJM-ZBFHGGJFSA-N 1 1 379.420 3.892 20 5 GHBDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440494414 866964899 /nfs/dbraw/zinc/96/48/99/866964899.db2.gz LVVAANGJNQUDJM-ZBFHGGJFSA-N 1 1 379.420 3.892 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000534545586 867019471 /nfs/dbraw/zinc/01/94/71/867019471.db2.gz ILXARIYKPQBQDA-IBGZPJMESA-N 1 1 397.475 3.736 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444728642 867106907 /nfs/dbraw/zinc/10/69/07/867106907.db2.gz GJLJNCQMAPFXMH-LRDDRELGSA-N 1 1 376.375 3.517 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444728642 867106914 /nfs/dbraw/zinc/10/69/14/867106914.db2.gz GJLJNCQMAPFXMH-LRDDRELGSA-N 1 1 376.375 3.517 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cc(C)ccc2F)c([N+](=O)[O-])c1 ZINC000444741261 867164116 /nfs/dbraw/zinc/16/41/16/867164116.db2.gz XUCDJPNHJZRJRB-UHFFFAOYSA-N 1 1 375.400 3.512 20 5 GHBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000742418297 867285495 /nfs/dbraw/zinc/28/54/95/867285495.db2.gz BCNYVKHCSXBRKZ-LBPRGKRZSA-N 1 1 390.362 3.832 20 5 GHBDMO CC(C)(C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000523486418 867385346 /nfs/dbraw/zinc/38/53/46/867385346.db2.gz NLMXWDSWXGPXAQ-GOSISDBHSA-N 1 1 385.464 3.809 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000444918650 867498880 /nfs/dbraw/zinc/49/88/80/867498880.db2.gz HRNDEZQWZDFOTN-YJBOKZPZSA-N 1 1 398.463 3.636 20 5 GHBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000457022920 867524793 /nfs/dbraw/zinc/52/47/93/867524793.db2.gz NLHBGAYLKQJJCU-OAHLLOKOSA-N 1 1 391.880 3.513 20 5 GHBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCC[N@H+]3CC3CCCCC3)cc2N1 ZINC000553490933 867543877 /nfs/dbraw/zinc/54/38/77/867543877.db2.gz SGSWUQPCEUDJME-QGZVFWFLSA-N 1 1 386.496 3.936 20 5 GHBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C2)C1 ZINC000553796245 868202295 /nfs/dbraw/zinc/20/22/95/868202295.db2.gz MBVPNESEWSAONT-NRFANRHFSA-N 1 1 380.448 3.506 20 5 GHBDMO COCC[N@@H+](CCc1ccccc1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000508527753 868341570 /nfs/dbraw/zinc/34/15/70/868341570.db2.gz IOXSRFFTWJZDFW-UHFFFAOYSA-N 1 1 394.475 3.686 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000857319145 882201952 /nfs/dbraw/zinc/20/19/52/882201952.db2.gz ZOYVMSYPIBFCLR-KRWDZBQOSA-N 1 1 387.867 3.637 20 5 GHBDMO Cn1c(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000479858993 868612780 /nfs/dbraw/zinc/61/27/80/868612780.db2.gz IQNBQAZHHFERDQ-UHFFFAOYSA-N 1 1 396.491 3.594 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000535367750 868637601 /nfs/dbraw/zinc/63/76/01/868637601.db2.gz TWGYNYNGQGNIQI-YJBOKZPZSA-N 1 1 392.459 3.570 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c(F)c1 ZINC000479980902 868854518 /nfs/dbraw/zinc/85/45/18/868854518.db2.gz NNYRBDDKAQODQH-UHFFFAOYSA-N 1 1 397.200 3.557 20 5 GHBDMO C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000130092170 869156962 /nfs/dbraw/zinc/15/69/62/869156962.db2.gz RIDQIWONVHZUDE-NSHDSACASA-N 1 1 375.226 3.856 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@H]1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539528027 869288505 /nfs/dbraw/zinc/28/85/05/869288505.db2.gz JQFCWGILFKWUEL-FQEVSTJZSA-N 1 1 385.512 3.595 20 5 GHBDMO CC(C)CN1CCCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539528027 869288518 /nfs/dbraw/zinc/28/85/18/869288518.db2.gz JQFCWGILFKWUEL-FQEVSTJZSA-N 1 1 385.512 3.595 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000446183135 869513299 /nfs/dbraw/zinc/51/32/99/869513299.db2.gz OVWDOOBRYLNUOT-PBHICJAKSA-N 1 1 387.867 3.949 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462482638 869523808 /nfs/dbraw/zinc/52/38/08/869523808.db2.gz HJUUGOXQXACODW-IBGZPJMESA-N 1 1 396.491 3.737 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000446224631 869566525 /nfs/dbraw/zinc/56/65/25/869566525.db2.gz GFVDOQMEBXZCDC-CZUORRHYSA-N 1 1 377.872 3.646 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000524864783 869689393 /nfs/dbraw/zinc/68/93/93/869689393.db2.gz GBUFCJPFPSRQQN-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO CCOc1ccc2c(c1)CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000539849659 869896379 /nfs/dbraw/zinc/89/63/79/869896379.db2.gz JMWLPROADQFOLU-UHFFFAOYSA-N 1 1 392.459 3.952 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000462753626 870002170 /nfs/dbraw/zinc/00/21/70/870002170.db2.gz LVBTYHZJXZJSLI-IEBWSBKVSA-N 1 1 375.513 3.934 20 5 GHBDMO O=C(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@H]1CCCc2ccccc21 ZINC000446713920 870218828 /nfs/dbraw/zinc/21/88/28/870218828.db2.gz BVZXYRIHCDNJNN-NRFANRHFSA-N 1 1 379.460 3.537 20 5 GHBDMO CCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000538720389 870415803 /nfs/dbraw/zinc/41/58/03/870415803.db2.gz WPZWUIZBVZGNMP-NIKGAXFTSA-N 1 1 378.469 3.638 20 5 GHBDMO CC[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584282 870466282 /nfs/dbraw/zinc/46/62/82/870466282.db2.gz BMTRUIMWFMKHML-FGZHOGPDSA-N 1 1 383.492 3.927 20 5 GHBDMO CC[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584282 870466284 /nfs/dbraw/zinc/46/62/84/870466284.db2.gz BMTRUIMWFMKHML-FGZHOGPDSA-N 1 1 383.492 3.927 20 5 GHBDMO COC(=O)c1ccc(Br)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001192673107 870592543 /nfs/dbraw/zinc/59/25/43/870592543.db2.gz LSWZNLBAFCRJQG-LLVKDONJSA-N 1 1 393.237 3.995 20 5 GHBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804274843 870716238 /nfs/dbraw/zinc/71/62/38/870716238.db2.gz RIJYOTBTLAQSNQ-XEDBTPMOSA-N 1 1 391.427 3.848 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000617698864 870751133 /nfs/dbraw/zinc/75/11/33/870751133.db2.gz ZFKZZSJEZDTUEW-SFHVURJKSA-N 1 1 381.476 3.741 20 5 GHBDMO COc1ccc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000447101221 871023154 /nfs/dbraw/zinc/02/31/54/871023154.db2.gz WTKYOFNUSMAKHC-INIZCTEOSA-N 1 1 392.459 3.862 20 5 GHBDMO COc1ccc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000447101221 871023186 /nfs/dbraw/zinc/02/31/86/871023186.db2.gz WTKYOFNUSMAKHC-INIZCTEOSA-N 1 1 392.459 3.862 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169010261 871094287 /nfs/dbraw/zinc/09/42/87/871094287.db2.gz BYYKBTNGZVIKQN-ZSYWTGECSA-N 1 1 395.544 3.791 20 5 GHBDMO CC[C@@H](C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)Oc1ccc(Cl)c(Cl)c1 ZINC001193485106 871123712 /nfs/dbraw/zinc/12/37/12/871123712.db2.gz NOPFTZXYKAJNDN-LBPRGKRZSA-N 1 1 387.267 3.888 20 5 GHBDMO CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169046315 871127631 /nfs/dbraw/zinc/12/76/31/871127631.db2.gz KLGMXARKKMKGDQ-KDOFPFPSSA-N 1 1 375.469 3.837 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](C2CC2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169054554 871134008 /nfs/dbraw/zinc/13/40/08/871134008.db2.gz MPDOTNJSVRVTEQ-SOLBZPMBSA-N 1 1 381.517 3.543 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNc2[nH+]cccc2N2CCOCC2)o1 ZINC000463249974 871296465 /nfs/dbraw/zinc/29/64/65/871296465.db2.gz XXNIZUKFGYEFOF-UHFFFAOYSA-N 1 1 380.404 3.699 20 5 GHBDMO C[N@@H+](CCCO)C1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000115519536 882505594 /nfs/dbraw/zinc/50/55/94/882505594.db2.gz YYBACOURAQFSAI-UHFFFAOYSA-N 1 1 395.809 3.550 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC001194260614 871596449 /nfs/dbraw/zinc/59/64/49/871596449.db2.gz FQAJOHIBPYRYMS-SFHVURJKSA-N 1 1 391.830 3.667 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC001194260614 871596468 /nfs/dbraw/zinc/59/64/68/871596468.db2.gz FQAJOHIBPYRYMS-SFHVURJKSA-N 1 1 391.830 3.667 20 5 GHBDMO C[C@@H](c1ccsc1)[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001169539445 871615193 /nfs/dbraw/zinc/61/51/93/871615193.db2.gz MVZFSTKCPKZWCJ-INIZCTEOSA-N 1 1 375.494 3.804 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001169542496 871621259 /nfs/dbraw/zinc/62/12/59/871621259.db2.gz XDRQJDKJAKCZJK-KXBFYZLASA-N 1 1 399.516 3.957 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001169667748 871737499 /nfs/dbraw/zinc/73/74/99/871737499.db2.gz WJNSTJNVQLMSHL-GOSISDBHSA-N 1 1 391.830 3.667 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001169667748 871737515 /nfs/dbraw/zinc/73/75/15/871737515.db2.gz WJNSTJNVQLMSHL-GOSISDBHSA-N 1 1 391.830 3.667 20 5 GHBDMO COC(=O)c1ccccc1OCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001194478458 871739798 /nfs/dbraw/zinc/73/97/98/871739798.db2.gz WMPAEPASRVCKCG-KRWDZBQOSA-N 1 1 384.432 3.640 20 5 GHBDMO CC1(C)C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[N@H+]1Cc1ccccc1 ZINC000618618889 871772286 /nfs/dbraw/zinc/77/22/86/871772286.db2.gz CKQHLEDXQRCNAW-INIZCTEOSA-N 1 1 379.464 3.614 20 5 GHBDMO CC1(C)C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CN1Cc1ccccc1 ZINC000618618889 871772300 /nfs/dbraw/zinc/77/23/00/871772300.db2.gz CKQHLEDXQRCNAW-INIZCTEOSA-N 1 1 379.464 3.614 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001194714094 871913207 /nfs/dbraw/zinc/91/32/07/871913207.db2.gz HCUCZXFSLOAVET-LJQANCHMSA-N 1 1 379.460 3.536 20 5 GHBDMO CC(C)c1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000552110655 872033865 /nfs/dbraw/zinc/03/38/65/872033865.db2.gz YPODNZXIAMYJDH-NRFANRHFSA-N 1 1 381.476 3.651 20 5 GHBDMO CC(C)c1ccc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000552110655 872033880 /nfs/dbraw/zinc/03/38/80/872033880.db2.gz YPODNZXIAMYJDH-NRFANRHFSA-N 1 1 381.476 3.651 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447678025 872082405 /nfs/dbraw/zinc/08/24/05/872082405.db2.gz XSUHVHFSJPXCIW-NSHDSACASA-N 1 1 396.360 3.812 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447682373 872093997 /nfs/dbraw/zinc/09/39/97/872093997.db2.gz XZZPAXWLZBZJGD-SNVBAGLBSA-N 1 1 382.333 3.930 20 5 GHBDMO CCOc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000478045092 872412935 /nfs/dbraw/zinc/41/29/35/872412935.db2.gz DXIAECDWTZHRET-UHFFFAOYSA-N 1 1 377.828 3.961 20 5 GHBDMO COc1cc(C[NH2+][C@H](CCO)c2ccccc2Br)ccc1[N+](=O)[O-] ZINC000541021283 872734511 /nfs/dbraw/zinc/73/45/11/872734511.db2.gz WKYXKPSOJAYTIG-OAHLLOKOSA-N 1 1 395.253 3.579 20 5 GHBDMO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000619569488 872747140 /nfs/dbraw/zinc/74/71/40/872747140.db2.gz SJWBZWGZCLOJGN-QGTPRVQTSA-N 1 1 395.887 3.592 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000619569488 872747148 /nfs/dbraw/zinc/74/71/48/872747148.db2.gz SJWBZWGZCLOJGN-QGTPRVQTSA-N 1 1 395.887 3.592 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000619569587 872747441 /nfs/dbraw/zinc/74/74/41/872747441.db2.gz UTCYHWJFRNXJTC-FCDRMGDPSA-N 1 1 390.480 3.613 20 5 GHBDMO Cc1c(CC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001127247490 872912379 /nfs/dbraw/zinc/91/23/79/872912379.db2.gz XLNCUKZDHLJVDG-IAGOWNOFSA-N 1 1 381.476 3.567 20 5 GHBDMO C[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460363275 873045558 /nfs/dbraw/zinc/04/55/58/873045558.db2.gz NEOXRNUMQZFKHW-AWEZNQCLSA-N 1 1 383.427 3.884 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)cc1 ZINC000448345849 873270591 /nfs/dbraw/zinc/27/05/91/873270591.db2.gz VMILUNRXUZATDU-UHFFFAOYSA-N 1 1 378.432 3.824 20 5 GHBDMO CCc1oc2ccccc2c1C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541283085 873304437 /nfs/dbraw/zinc/30/44/37/873304437.db2.gz YQBZDQAECZDONW-HNNXBMFYSA-N 1 1 384.432 3.775 20 5 GHBDMO CC1(c2cccc(Br)c2)CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000768460225 873325485 /nfs/dbraw/zinc/32/54/85/873325485.db2.gz TYYQUPMTKCGNKB-UHFFFAOYSA-N 1 1 379.258 3.565 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1[N+](=O)[O-] ZINC000858010863 882713059 /nfs/dbraw/zinc/71/30/59/882713059.db2.gz NNYVLPCMDBYWNU-GOSISDBHSA-N 1 1 383.448 3.919 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1[N+](=O)[O-] ZINC000858010863 882713067 /nfs/dbraw/zinc/71/30/67/882713067.db2.gz NNYVLPCMDBYWNU-GOSISDBHSA-N 1 1 383.448 3.919 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541332623 873385201 /nfs/dbraw/zinc/38/52/01/873385201.db2.gz ULDIYBAHUFEUJN-UHFFFAOYSA-N 1 1 384.267 3.712 20 5 GHBDMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001197076413 873582122 /nfs/dbraw/zinc/58/21/22/873582122.db2.gz DFFZVOGVOQVQRA-FQEVSTJZSA-N 1 1 389.402 3.909 20 5 GHBDMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001197076413 873582128 /nfs/dbraw/zinc/58/21/28/873582128.db2.gz DFFZVOGVOQVQRA-FQEVSTJZSA-N 1 1 389.402 3.909 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000448773293 873948131 /nfs/dbraw/zinc/94/81/31/873948131.db2.gz HCASVWNJBILPMH-VQIMIIECSA-N 1 1 395.459 3.509 20 5 GHBDMO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C1CCCC1 ZINC001197807892 874060628 /nfs/dbraw/zinc/06/06/28/874060628.db2.gz APBLKLKMDHTPLX-ZDUSSCGKSA-N 1 1 382.302 3.806 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001197863944 874102809 /nfs/dbraw/zinc/10/28/09/874102809.db2.gz JOBLSYDFOSCTJO-GJZGRUSLSA-N 1 1 388.493 3.641 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001197863944 874102817 /nfs/dbraw/zinc/10/28/17/874102817.db2.gz JOBLSYDFOSCTJO-GJZGRUSLSA-N 1 1 388.493 3.641 20 5 GHBDMO CCC1(CC)C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000464575672 874102803 /nfs/dbraw/zinc/10/28/03/874102803.db2.gz BKTTYJNYNWOIDE-UHFFFAOYSA-N 1 1 381.498 3.540 20 5 GHBDMO COc1cccc(NC2CC[NH+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)c1 ZINC000464684102 874295440 /nfs/dbraw/zinc/29/54/40/874295440.db2.gz ZXJOGHASGBVBDD-UHFFFAOYSA-N 1 1 389.427 3.828 20 5 GHBDMO Cc1cc(Br)ccc1C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000769854463 874305421 /nfs/dbraw/zinc/30/54/21/874305421.db2.gz KPVZTTBGVKMVTF-QGZVFWFLSA-N 1 1 379.254 3.831 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000475722040 882818296 /nfs/dbraw/zinc/81/82/96/882818296.db2.gz IFGNZVOTVAWSSQ-CRAIPNDOSA-N 1 1 384.432 3.525 20 5 GHBDMO CCOC(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)C1 ZINC000769989672 874388306 /nfs/dbraw/zinc/38/83/06/874388306.db2.gz WHYAOFDMPRQPIE-BEFAXECRSA-N 1 1 387.436 3.660 20 5 GHBDMO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000464767524 874460409 /nfs/dbraw/zinc/46/04/09/874460409.db2.gz GGMDWBGECWUCMP-HRAATJIYSA-N 1 1 380.448 3.512 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](CSc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000464772740 874503764 /nfs/dbraw/zinc/50/37/64/874503764.db2.gz LZZNWWIOMDQHSK-INIZCTEOSA-N 1 1 397.500 3.598 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775879771 874515053 /nfs/dbraw/zinc/51/50/53/874515053.db2.gz CRQHGQLQMZGADM-INIZCTEOSA-N 1 1 396.491 3.867 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000464899718 874712327 /nfs/dbraw/zinc/71/23/27/874712327.db2.gz UCCLHLPJISATNW-AEGPPILISA-N 1 1 386.477 3.777 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000542030662 874776598 /nfs/dbraw/zinc/77/65/98/874776598.db2.gz KWMBJIIEJOVPBG-INIZCTEOSA-N 1 1 398.463 3.732 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000449360216 874782501 /nfs/dbraw/zinc/78/25/01/874782501.db2.gz HNUIWLHJKJZVAC-KXBFYZLASA-N 1 1 380.473 3.897 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000464935756 874818258 /nfs/dbraw/zinc/81/82/58/874818258.db2.gz NCVOZVZPHZWNNT-QGZVFWFLSA-N 1 1 385.439 3.718 20 5 GHBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)C(N)=O ZINC000449410509 874833827 /nfs/dbraw/zinc/83/38/27/874833827.db2.gz WUFAGDSLXJBQLB-OAHLLOKOSA-N 1 1 385.464 3.968 20 5 GHBDMO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449529134 874980279 /nfs/dbraw/zinc/98/02/79/874980279.db2.gz VCOJDCKIEXKDJT-INIZCTEOSA-N 1 1 394.518 3.722 20 5 GHBDMO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449529134 874980285 /nfs/dbraw/zinc/98/02/85/874980285.db2.gz VCOJDCKIEXKDJT-INIZCTEOSA-N 1 1 394.518 3.722 20 5 GHBDMO COc1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542173690 875085057 /nfs/dbraw/zinc/08/50/57/875085057.db2.gz GAWKLUAZJIQVFM-UHFFFAOYSA-N 1 1 398.459 3.795 20 5 GHBDMO COc1cc(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000449627816 875149491 /nfs/dbraw/zinc/14/94/91/875149491.db2.gz AUGMDTWPPMYNMM-HZPDHXFCSA-N 1 1 386.395 3.594 20 5 GHBDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542282331 875299607 /nfs/dbraw/zinc/29/96/07/875299607.db2.gz REFUMULLFCOGKO-YOEHRIQHSA-N 1 1 378.856 3.551 20 5 GHBDMO O=C1[C@@H]([NH+]2CCC(OC3CCCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131496 875629634 /nfs/dbraw/zinc/62/96/34/875629634.db2.gz XGGHGYMXADESGZ-FQEVSTJZSA-N 1 1 387.480 3.514 20 5 GHBDMO CC[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000029909127 875663674 /nfs/dbraw/zinc/66/36/74/875663674.db2.gz XYRXALBXLHVJBP-KRWDZBQOSA-N 1 1 387.867 3.815 20 5 GHBDMO Cc1nc(N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000450429167 876405815 /nfs/dbraw/zinc/40/58/15/876405815.db2.gz KRXYEZJEVZQRBH-NVXWUHKLSA-N 1 1 377.395 3.607 20 5 GHBDMO Cc1nc(N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000450429167 876405818 /nfs/dbraw/zinc/40/58/18/876405818.db2.gz KRXYEZJEVZQRBH-NVXWUHKLSA-N 1 1 377.395 3.607 20 5 GHBDMO C[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000450548295 876594949 /nfs/dbraw/zinc/59/49/49/876594949.db2.gz RHEZHZNBOPPDBT-JTQLQIEISA-N 1 1 394.344 3.564 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000746639081 877174692 /nfs/dbraw/zinc/17/46/92/877174692.db2.gz CQZTVRCQYYVSKX-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000609975202 877235969 /nfs/dbraw/zinc/23/59/69/877235969.db2.gz ISPMAXWJPBJVQW-HZPDHXFCSA-N 1 1 383.448 3.765 20 5 GHBDMO CN(C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000746667036 877307951 /nfs/dbraw/zinc/30/79/51/877307951.db2.gz WOEHBYKGDCYCKN-CYBMUJFWSA-N 1 1 383.876 3.937 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000746667036 877307968 /nfs/dbraw/zinc/30/79/68/877307968.db2.gz WOEHBYKGDCYCKN-CYBMUJFWSA-N 1 1 383.876 3.937 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610041858 877323010 /nfs/dbraw/zinc/32/30/10/877323010.db2.gz GKRBDJLCAFKGJR-VQIMIIECSA-N 1 1 381.476 3.824 20 5 GHBDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787342986 877362562 /nfs/dbraw/zinc/36/25/62/877362562.db2.gz QYOOPMDYEKZOFC-KRWDZBQOSA-N 1 1 384.354 3.658 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610127875 877441560 /nfs/dbraw/zinc/44/15/60/877441560.db2.gz ORMGIRBJEBINCS-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451149362 877458224 /nfs/dbraw/zinc/45/82/24/877458224.db2.gz SRUVAWICCMYWDJ-OUCADQQQSA-N 1 1 385.386 3.535 20 5 GHBDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451149362 877458229 /nfs/dbraw/zinc/45/82/29/877458229.db2.gz SRUVAWICCMYWDJ-OUCADQQQSA-N 1 1 385.386 3.535 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492937633 877815333 /nfs/dbraw/zinc/81/53/33/877815333.db2.gz QQCNUMFTTQMKOA-SFHVURJKSA-N 1 1 396.491 3.534 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000851938209 877989979 /nfs/dbraw/zinc/98/99/79/877989979.db2.gz LTJACLYAYJVNLD-LJQANCHMSA-N 1 1 379.432 3.567 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000851938209 877989993 /nfs/dbraw/zinc/98/99/93/877989993.db2.gz LTJACLYAYJVNLD-LJQANCHMSA-N 1 1 379.432 3.567 20 5 GHBDMO O=C(CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2sccc2C1 ZINC000130041843 878039162 /nfs/dbraw/zinc/03/91/62/878039162.db2.gz VKIFZFWPLZDUOE-UHFFFAOYSA-N 1 1 385.489 3.596 20 5 GHBDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000788465464 878085526 /nfs/dbraw/zinc/08/55/26/878085526.db2.gz WKXMBFHZEDVJEE-LJQANCHMSA-N 1 1 392.839 3.825 20 5 GHBDMO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545509 878116726 /nfs/dbraw/zinc/11/67/26/878116726.db2.gz HOPITBZUOFCBJB-KRWDZBQOSA-N 1 1 383.448 3.812 20 5 GHBDMO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545509 878116739 /nfs/dbraw/zinc/11/67/39/878116739.db2.gz HOPITBZUOFCBJB-KRWDZBQOSA-N 1 1 383.448 3.812 20 5 GHBDMO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545201 878117187 /nfs/dbraw/zinc/11/71/87/878117187.db2.gz HAEPNSJHUKFHEF-GDBMZVCRSA-N 1 1 378.432 3.922 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000852176534 878121140 /nfs/dbraw/zinc/12/11/40/878121140.db2.gz FMEOYYVFQPYBAR-LJQANCHMSA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000852176534 878121159 /nfs/dbraw/zinc/12/11/59/878121159.db2.gz FMEOYYVFQPYBAR-LJQANCHMSA-N 1 1 379.432 3.709 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000776590556 878278945 /nfs/dbraw/zinc/27/89/45/878278945.db2.gz DUTSAWXQFGRYGK-PKTZIBPZSA-N 1 1 395.503 3.616 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000776592469 878303955 /nfs/dbraw/zinc/30/39/55/878303955.db2.gz OTUMDSKKGMMHOH-YHYVQYDKSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000776592469 878303973 /nfs/dbraw/zinc/30/39/73/878303973.db2.gz OTUMDSKKGMMHOH-YHYVQYDKSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000776592469 878303989 /nfs/dbraw/zinc/30/39/89/878303989.db2.gz OTUMDSKKGMMHOH-YHYVQYDKSA-N 1 1 383.492 3.613 20 5 GHBDMO O=C(N1CCC[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000852472234 878347240 /nfs/dbraw/zinc/34/72/40/878347240.db2.gz ASYVKCWYQJJMGZ-RDJZCZTQSA-N 1 1 399.413 3.750 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000853120659 878829000 /nfs/dbraw/zinc/82/90/00/878829000.db2.gz NWOZGNHTPQVNOT-IRLDBZIGSA-N 1 1 395.503 3.520 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000853120659 878829018 /nfs/dbraw/zinc/82/90/18/878829018.db2.gz NWOZGNHTPQVNOT-IRLDBZIGSA-N 1 1 395.503 3.520 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789363507 878896516 /nfs/dbraw/zinc/89/65/16/878896516.db2.gz LOGALBYBIRXSGR-AWEZNQCLSA-N 1 1 385.420 3.753 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789363507 878896520 /nfs/dbraw/zinc/89/65/20/878896520.db2.gz LOGALBYBIRXSGR-AWEZNQCLSA-N 1 1 385.420 3.753 20 5 GHBDMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000531050317 879019658 /nfs/dbraw/zinc/01/96/58/879019658.db2.gz AXMQWKPWOMCHAV-UHFFFAOYSA-N 1 1 389.455 3.913 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000538274219 879162908 /nfs/dbraw/zinc/16/29/08/879162908.db2.gz WDOOSLJFONHTKZ-MRXNPFEDSA-N 1 1 391.537 3.899 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+]1Cc1ccccc1 ZINC000538330917 879282104 /nfs/dbraw/zinc/28/21/04/879282104.db2.gz CYYCPBJMOBCKKW-LJQANCHMSA-N 1 1 397.475 3.730 20 5 GHBDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000617008580 879338215 /nfs/dbraw/zinc/33/82/15/879338215.db2.gz JCTVNCZEZXGHPU-CQSZACIVSA-N 1 1 399.441 3.562 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000617008580 879338230 /nfs/dbraw/zinc/33/82/30/879338230.db2.gz JCTVNCZEZXGHPU-CQSZACIVSA-N 1 1 399.441 3.562 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC(C)(c2nnc(C3CCOCC3)o2)C1 ZINC000854076400 879504107 /nfs/dbraw/zinc/50/41/07/879504107.db2.gz RLBAPOMVCJPUIJ-AWEZNQCLSA-N 1 1 386.452 3.515 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790169341 879504818 /nfs/dbraw/zinc/50/48/18/879504818.db2.gz MNRMHATXRLHQOA-IEBWSBKVSA-N 1 1 383.423 3.799 20 5 GHBDMO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@](C)(C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000475678010 879608434 /nfs/dbraw/zinc/60/84/34/879608434.db2.gz HCGQSONWIMMULD-FQEVSTJZSA-N 1 1 385.489 3.752 20 5 GHBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461458312 879871909 /nfs/dbraw/zinc/87/19/09/879871909.db2.gz XVRMSFVZFZRQKX-IRXDYDNUSA-N 1 1 399.878 3.842 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)o2)cc1 ZINC000181187968 880045120 /nfs/dbraw/zinc/04/51/20/880045120.db2.gz TWJKFPXZQYGVBS-HNAYVOBHSA-N 1 1 394.431 3.902 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000520358968 881045238 /nfs/dbraw/zinc/04/52/38/881045238.db2.gz AJODAYDOUDNWSN-UHFFFAOYSA-N 1 1 396.491 3.939 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000499110944 881158252 /nfs/dbraw/zinc/15/82/52/881158252.db2.gz MAQRTRROKOBYDS-PXNSSMCTSA-N 1 1 396.491 3.533 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000499110944 881158256 /nfs/dbraw/zinc/15/82/56/881158256.db2.gz MAQRTRROKOBYDS-PXNSSMCTSA-N 1 1 396.491 3.533 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC001170194462 881227952 /nfs/dbraw/zinc/22/79/52/881227952.db2.gz NXQIAYHPMVTSMW-KRWDZBQOSA-N 1 1 390.867 3.900 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000609383374 883126544 /nfs/dbraw/zinc/12/65/44/883126544.db2.gz YLPLIJJRPRQOOO-HNNXBMFYSA-N 1 1 379.526 3.805 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)NC1CCCC1 ZINC000609544462 883337400 /nfs/dbraw/zinc/33/74/00/883337400.db2.gz IOSZOJBSCOFSAB-UHFFFAOYSA-N 1 1 387.411 3.675 20 5 GHBDMO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[N@@H+](C)Cc1ccccc1 ZINC000175161065 883341520 /nfs/dbraw/zinc/34/15/20/883341520.db2.gz PUYZBEGLRZTSJG-INIZCTEOSA-N 1 1 398.463 3.874 20 5 GHBDMO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000615141295 883394787 /nfs/dbraw/zinc/39/47/87/883394787.db2.gz LZUQSSUPDWVWGI-KRWDZBQOSA-N 1 1 398.385 3.539 20 5 GHBDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000615141295 883394801 /nfs/dbraw/zinc/39/48/01/883394801.db2.gz LZUQSSUPDWVWGI-KRWDZBQOSA-N 1 1 398.385 3.539 20 5 GHBDMO Cc1nn(C[N@@H+]2CCCN(c3ccccc3F)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000795726288 912713625 /nfs/dbraw/zinc/71/36/25/912713625.db2.gz DXNHFMRIMKOWAO-UHFFFAOYSA-N 1 1 383.427 3.562 20 5 GHBDMO Cc1nn(C[N@H+]2CCCN(c3ccccc3F)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000795726288 912713631 /nfs/dbraw/zinc/71/36/31/912713631.db2.gz DXNHFMRIMKOWAO-UHFFFAOYSA-N 1 1 383.427 3.562 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000747225848 883538948 /nfs/dbraw/zinc/53/89/48/883538948.db2.gz DIDKFZVCFYRQPZ-MRXNPFEDSA-N 1 1 394.475 3.580 20 5 GHBDMO CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H](C)c1cccc(OC)c1 ZINC000609766454 883655360 /nfs/dbraw/zinc/65/53/60/883655360.db2.gz PHCPIIXISRQGPG-OAHLLOKOSA-N 1 1 399.447 3.985 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848935 883727395 /nfs/dbraw/zinc/72/73/95/883727395.db2.gz QHFBJNAOUGVJPJ-LAUBAEHRSA-N 1 1 397.475 3.677 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848935 883727399 /nfs/dbraw/zinc/72/73/99/883727399.db2.gz QHFBJNAOUGVJPJ-LAUBAEHRSA-N 1 1 397.475 3.677 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1)C(C)C ZINC000609883348 883770527 /nfs/dbraw/zinc/77/05/27/883770527.db2.gz IZOFQKSDFQYAQL-UHFFFAOYSA-N 1 1 399.447 3.864 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@H](C)C1 ZINC000859417343 883804963 /nfs/dbraw/zinc/80/49/63/883804963.db2.gz QPCCYXNSTSGQPH-IERDGZPVSA-N 1 1 399.491 3.615 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000805793710 884077560 /nfs/dbraw/zinc/07/75/60/884077560.db2.gz LWRBYULRQQEXGR-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000805793710 884077574 /nfs/dbraw/zinc/07/75/74/884077574.db2.gz LWRBYULRQQEXGR-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO C[N@@H+](CCCCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C1CC1 ZINC000897942608 884520765 /nfs/dbraw/zinc/52/07/65/884520765.db2.gz NXJBIDBGHXNQHX-UHFFFAOYSA-N 1 1 378.231 3.645 20 5 GHBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC001127451264 884534491 /nfs/dbraw/zinc/53/44/91/884534491.db2.gz QKSCEBNWUWTSDX-UHFFFAOYSA-N 1 1 391.309 3.755 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000860299781 884542308 /nfs/dbraw/zinc/54/23/08/884542308.db2.gz JWAXNFDQGMJUNJ-KKSFZXQISA-N 1 1 379.460 3.837 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000495124862 884602817 /nfs/dbraw/zinc/60/28/17/884602817.db2.gz XWPNNXMSGMGIMV-FUHWJXTLSA-N 1 1 397.475 3.634 20 5 GHBDMO Cc1c(COC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000919267772 885193036 /nfs/dbraw/zinc/19/30/36/885193036.db2.gz MKWIPINVTRMAQD-IYBDPMFKSA-N 1 1 398.459 3.869 20 5 GHBDMO Cc1c(COC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000919267772 885193047 /nfs/dbraw/zinc/19/30/47/885193047.db2.gz MKWIPINVTRMAQD-IYBDPMFKSA-N 1 1 398.459 3.869 20 5 GHBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000495369171 885539965 /nfs/dbraw/zinc/53/99/65/885539965.db2.gz ONJCNBLOHDYCLK-IAQYHMDHSA-N 1 1 384.274 3.806 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495391400 885645654 /nfs/dbraw/zinc/64/56/54/885645654.db2.gz OKYIHXCWJJCKKV-UHFFFAOYSA-N 1 1 397.353 3.872 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495391400 885645663 /nfs/dbraw/zinc/64/56/63/885645663.db2.gz OKYIHXCWJJCKKV-UHFFFAOYSA-N 1 1 397.353 3.872 20 5 GHBDMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000194927328 885765096 /nfs/dbraw/zinc/76/50/96/885765096.db2.gz VVVUUHSFGKFWQY-OAHLLOKOSA-N 1 1 397.435 3.683 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001131095810 885865069 /nfs/dbraw/zinc/86/50/69/885865069.db2.gz NBLIPTFSKXHMLL-QGZVFWFLSA-N 1 1 382.464 3.941 20 5 GHBDMO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1c(F)cccc1F ZINC000532534011 885927310 /nfs/dbraw/zinc/92/73/10/885927310.db2.gz KUOUXBHORWBRHW-UHFFFAOYSA-N 1 1 391.374 3.693 20 5 GHBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1c(F)cccc1F ZINC000532534011 885927325 /nfs/dbraw/zinc/92/73/25/885927325.db2.gz KUOUXBHORWBRHW-UHFFFAOYSA-N 1 1 391.374 3.693 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000454128728 886145616 /nfs/dbraw/zinc/14/56/16/886145616.db2.gz CSJJHRWLQIRCEG-INIZCTEOSA-N 1 1 398.463 3.589 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556859126 886393730 /nfs/dbraw/zinc/39/37/30/886393730.db2.gz XSRNQJNHCIQASO-LAUBAEHRSA-N 1 1 391.475 3.534 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000556870610 886421204 /nfs/dbraw/zinc/42/12/04/886421204.db2.gz PMOKPWUABLMAMQ-HXUWFJFHSA-N 1 1 390.447 3.516 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556873978 886440598 /nfs/dbraw/zinc/44/05/98/886440598.db2.gz YNJXVXXDNIRTEL-GHTZIAJQSA-N 1 1 391.475 3.676 20 5 GHBDMO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000863303541 887017199 /nfs/dbraw/zinc/01/71/99/887017199.db2.gz VPDWQQOKOLZXIA-CZUORRHYSA-N 1 1 388.468 3.510 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000863303541 887017205 /nfs/dbraw/zinc/01/72/05/887017205.db2.gz VPDWQQOKOLZXIA-CZUORRHYSA-N 1 1 388.468 3.510 20 5 GHBDMO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475902022 887193721 /nfs/dbraw/zinc/19/37/21/887193721.db2.gz SEXJFERDHPFDCV-UHFFFAOYSA-N 1 1 383.448 3.606 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1C ZINC000488010348 887362797 /nfs/dbraw/zinc/36/27/97/887362797.db2.gz POPDRLSWUWFPDZ-UHFFFAOYSA-N 1 1 375.400 3.512 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(C)(C)[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC001131759944 887561999 /nfs/dbraw/zinc/56/19/99/887561999.db2.gz RGPAFGQVFWBFCE-UHFFFAOYSA-N 1 1 396.491 3.813 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809690523 887666480 /nfs/dbraw/zinc/66/64/80/887666480.db2.gz TZKZNTUAXGSOCY-GFCCVEGCSA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809690523 887666483 /nfs/dbraw/zinc/66/64/83/887666483.db2.gz TZKZNTUAXGSOCY-GFCCVEGCSA-N 1 1 393.793 3.529 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794640779 887670482 /nfs/dbraw/zinc/67/04/82/887670482.db2.gz SECJTPNECUOQAN-DYVFJYSZSA-N 1 1 383.404 3.552 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794640779 887670488 /nfs/dbraw/zinc/67/04/88/887670488.db2.gz SECJTPNECUOQAN-DYVFJYSZSA-N 1 1 383.404 3.552 20 5 GHBDMO Cc1ccc([C@H]2CC[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c(C)c1 ZINC000794660598 887707473 /nfs/dbraw/zinc/70/74/73/887707473.db2.gz GTWNSHJKELJFRT-SFHVURJKSA-N 1 1 377.448 3.917 20 5 GHBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000809968524 888010211 /nfs/dbraw/zinc/01/02/11/888010211.db2.gz DGCHXFSVHNZHOQ-ZBFHGGJFSA-N 1 1 399.278 3.723 20 5 GHBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000809968524 888010225 /nfs/dbraw/zinc/01/02/25/888010225.db2.gz DGCHXFSVHNZHOQ-ZBFHGGJFSA-N 1 1 399.278 3.723 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)cc2)c1C ZINC000794806121 888144494 /nfs/dbraw/zinc/14/44/94/888144494.db2.gz YHLMFPMXDISGGN-UHFFFAOYSA-N 1 1 397.410 3.855 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000532700081 888319550 /nfs/dbraw/zinc/31/95/50/888319550.db2.gz GMIJPDMKTFDUCN-LZWOXQAQSA-N 1 1 394.903 3.524 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000532701381 888340195 /nfs/dbraw/zinc/34/01/95/888340195.db2.gz VBRODGMUFPQTIJ-ZIFCJYIRSA-N 1 1 388.512 3.569 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001132308222 888584908 /nfs/dbraw/zinc/58/49/08/888584908.db2.gz ZSYVMNJIINYTAG-WBVHZDCISA-N 1 1 399.516 3.815 20 5 GHBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000810618444 888681996 /nfs/dbraw/zinc/68/19/96/888681996.db2.gz FMJWUEUFWAXWRI-HNNXBMFYSA-N 1 1 394.431 3.957 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000795098138 890174395 /nfs/dbraw/zinc/17/43/95/890174395.db2.gz CHIVJVKZEAYVJW-AEFFLSMTSA-N 1 1 375.469 3.735 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC000533280204 890215389 /nfs/dbraw/zinc/21/53/89/890215389.db2.gz XLIBMLGYNBRIPK-NRFANRHFSA-N 1 1 397.475 3.677 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC1CC1)C1CCCCC1 ZINC000533413982 890491462 /nfs/dbraw/zinc/49/14/62/890491462.db2.gz FNQZAAGGIHNONE-UHFFFAOYSA-N 1 1 375.469 3.977 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000533431181 890547645 /nfs/dbraw/zinc/54/76/45/890547645.db2.gz XTGRTPCUPUGLMM-AHRSYUTCSA-N 1 1 389.496 3.757 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852512 891044640 /nfs/dbraw/zinc/04/46/40/891044640.db2.gz ZFRMBXCJFLZKHF-VBKZILBWSA-N 1 1 389.427 3.507 20 5 GHBDMO COc1cccc(/C(C)=C/C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813171492 891332953 /nfs/dbraw/zinc/33/29/53/891332953.db2.gz WXJZTQWWLAFCHC-HZBHDWBUSA-N 1 1 396.443 3.824 20 5 GHBDMO COc1cccc(/C(C)=C/C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813171492 891332970 /nfs/dbraw/zinc/33/29/70/891332970.db2.gz WXJZTQWWLAFCHC-HZBHDWBUSA-N 1 1 396.443 3.824 20 5 GHBDMO O=C(Cc1ccc(Cl)s1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174576 891336294 /nfs/dbraw/zinc/33/62/94/891336294.db2.gz YDDFTIUGCWHVIU-AWEZNQCLSA-N 1 1 380.853 3.670 20 5 GHBDMO O=C(Cc1ccc(Cl)s1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174576 891336311 /nfs/dbraw/zinc/33/63/11/891336311.db2.gz YDDFTIUGCWHVIU-AWEZNQCLSA-N 1 1 380.853 3.670 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnc2ccc(F)cc2c1 ZINC000813173469 891336747 /nfs/dbraw/zinc/33/67/47/891336747.db2.gz CUZQIINGQLIATI-IBGZPJMESA-N 1 1 395.390 3.713 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnc2ccc(F)cc2c1 ZINC000813173469 891336762 /nfs/dbraw/zinc/33/67/62/891336762.db2.gz CUZQIINGQLIATI-IBGZPJMESA-N 1 1 395.390 3.713 20 5 GHBDMO Cc1ccnc(NCCC[NH+]2CCN(c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC001185037909 913614567 /nfs/dbraw/zinc/61/45/67/913614567.db2.gz XXNDBFIAOQXJDY-UHFFFAOYSA-N 1 1 389.887 3.576 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000814175773 892332272 /nfs/dbraw/zinc/33/22/72/892332272.db2.gz JSJUXAQOVBCLGL-WMZOPIPTSA-N 1 1 375.469 3.735 20 5 GHBDMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000016585915 892554514 /nfs/dbraw/zinc/55/45/14/892554514.db2.gz QZUWISRZMBKAEE-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000016585915 892554521 /nfs/dbraw/zinc/55/45/21/892554521.db2.gz QZUWISRZMBKAEE-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000488225566 893098980 /nfs/dbraw/zinc/09/89/80/893098980.db2.gz VSUQIULNPICBOR-KRWDZBQOSA-N 1 1 385.489 3.912 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)nc1 ZINC000536682257 893550767 /nfs/dbraw/zinc/55/07/67/893550767.db2.gz BCTRHKMMLMMMTH-CQSZACIVSA-N 1 1 384.333 3.834 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)nc1 ZINC000536682257 893550781 /nfs/dbraw/zinc/55/07/81/893550781.db2.gz BCTRHKMMLMMMTH-CQSZACIVSA-N 1 1 384.333 3.834 20 5 GHBDMO COc1cc(COC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000815448031 893848290 /nfs/dbraw/zinc/84/82/90/893848290.db2.gz DLTHQMJPOFXDTP-MRXNPFEDSA-N 1 1 380.416 3.583 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934836610 893964167 /nfs/dbraw/zinc/96/41/67/893964167.db2.gz CTICWEYULRPWQI-HYVNUMGLSA-N 1 1 386.452 3.844 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778278290 894000608 /nfs/dbraw/zinc/00/06/08/894000608.db2.gz XAFSASAQTKQRSH-HZPDHXFCSA-N 1 1 395.450 3.800 20 5 GHBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000537074650 894296866 /nfs/dbraw/zinc/29/68/66/894296866.db2.gz OWCQGDWDLFWMRQ-CYBMUJFWSA-N 1 1 397.410 3.571 20 5 GHBDMO NC(=O)c1ccc(CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000563886577 894297857 /nfs/dbraw/zinc/29/78/57/894297857.db2.gz PRMYKNBBNZTVKT-GOSISDBHSA-N 1 1 385.489 3.592 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(NCC3=CC[N@@H+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000537192215 894514571 /nfs/dbraw/zinc/51/45/71/894514571.db2.gz UWXUCMWSAUXILU-UHFFFAOYSA-N 1 1 380.448 3.829 20 5 GHBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000816845295 895148582 /nfs/dbraw/zinc/14/85/82/895148582.db2.gz IQOJYDPJJKJLGH-INIZCTEOSA-N 1 1 387.867 3.729 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817287703 895442404 /nfs/dbraw/zinc/44/24/04/895442404.db2.gz PPNOJZMNKQSILR-UHFFFAOYSA-N 1 1 391.468 3.579 20 5 GHBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817380846 895554307 /nfs/dbraw/zinc/55/43/07/895554307.db2.gz MGKMDYMWHWURIR-UHFFFAOYSA-N 1 1 384.480 3.859 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001170880056 895926357 /nfs/dbraw/zinc/92/63/57/895926357.db2.gz AYVLQYCIPGNVSW-YOEHRIQHSA-N 1 1 377.485 3.886 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001170880053 895927109 /nfs/dbraw/zinc/92/71/09/895927109.db2.gz AYVLQYCIPGNVSW-WMLDXEAASA-N 1 1 377.485 3.886 20 5 GHBDMO Cc1ccc(Cn2cc(C[NH2+][C@@H]3CCCc4ccccc43)nn2)cc1[N+](=O)[O-] ZINC000881212726 896241027 /nfs/dbraw/zinc/24/10/27/896241027.db2.gz SSEIVBUUGPTYSP-HXUWFJFHSA-N 1 1 377.448 3.710 20 5 GHBDMO C[C@H]1C[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC001185743992 914056296 /nfs/dbraw/zinc/05/62/96/914056296.db2.gz AJVIZVLXZISKRR-RDJZCZTQSA-N 1 1 392.459 3.522 20 5 GHBDMO O=[N+]([O-])c1c(F)nccc1NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000882272587 896739631 /nfs/dbraw/zinc/73/96/31/896739631.db2.gz WUNYVJXTLZKXAL-UHFFFAOYSA-N 1 1 397.410 3.860 20 5 GHBDMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000567749408 897376523 /nfs/dbraw/zinc/37/65/23/897376523.db2.gz JRZIIWVKINQPTC-LJQANCHMSA-N 1 1 379.460 3.608 20 5 GHBDMO C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001185949397 914188470 /nfs/dbraw/zinc/18/84/70/914188470.db2.gz PUEAGTBLPGNMBD-TZMCWYRMSA-N 1 1 397.401 3.670 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000289551770 914235602 /nfs/dbraw/zinc/23/56/02/914235602.db2.gz FHDQKPHFCYCPTA-KGLIPLIRSA-N 1 1 398.891 3.507 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000569249524 898467362 /nfs/dbraw/zinc/46/73/62/898467362.db2.gz OUDVPJXWNJQPHV-HNNXBMFYSA-N 1 1 387.411 3.561 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000133586411 898693737 /nfs/dbraw/zinc/69/37/37/898693737.db2.gz BZQUOIMKQOXBDO-JKSUJKDBSA-N 1 1 377.460 3.769 20 5 GHBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)sc2C1 ZINC000824125015 899395343 /nfs/dbraw/zinc/39/53/43/899395343.db2.gz AJRSMYFUTKDDLY-UHFFFAOYSA-N 1 1 380.857 3.643 20 5 GHBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)sc2C1 ZINC000824125015 899395356 /nfs/dbraw/zinc/39/53/56/899395356.db2.gz AJRSMYFUTKDDLY-UHFFFAOYSA-N 1 1 380.857 3.643 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1(C)C ZINC000570609941 899435794 /nfs/dbraw/zinc/43/57/94/899435794.db2.gz GKBSMUJZTCGVEK-HOTGVXAUSA-N 1 1 388.411 3.840 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000118859946 899486081 /nfs/dbraw/zinc/48/60/81/899486081.db2.gz WWSYESNFPZBCOJ-MRXNPFEDSA-N 1 1 387.484 3.934 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000332219122 899494402 /nfs/dbraw/zinc/49/44/02/899494402.db2.gz JOJBXGRMFVUQQT-UHFFFAOYSA-N 1 1 379.526 3.899 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000570977931 899695386 /nfs/dbraw/zinc/69/53/86/899695386.db2.gz HWKFFMMNMXSNTL-GOSISDBHSA-N 1 1 396.491 3.843 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000570984050 899702077 /nfs/dbraw/zinc/70/20/77/899702077.db2.gz BDZXKHNHMKSRRI-AEFFLSMTSA-N 1 1 397.475 3.885 20 5 GHBDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000571583630 899915849 /nfs/dbraw/zinc/91/58/49/899915849.db2.gz UEAGCBNVGKPRCW-UHFFFAOYSA-N 1 1 375.856 3.978 20 5 GHBDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000571583630 899915856 /nfs/dbraw/zinc/91/58/56/899915856.db2.gz UEAGCBNVGKPRCW-UHFFFAOYSA-N 1 1 375.856 3.978 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3cccc(F)c3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000572341653 900149408 /nfs/dbraw/zinc/14/94/08/900149408.db2.gz HDRUYJZAORGSPO-ZDUSSCGKSA-N 1 1 387.411 3.690 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000825438604 900162537 /nfs/dbraw/zinc/16/25/37/900162537.db2.gz XSMFBLUDFKLDER-LBPRGKRZSA-N 1 1 393.896 3.795 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000825438604 900162543 /nfs/dbraw/zinc/16/25/43/900162543.db2.gz XSMFBLUDFKLDER-LBPRGKRZSA-N 1 1 393.896 3.795 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000843851316 900247747 /nfs/dbraw/zinc/24/77/47/900247747.db2.gz HFNCJGRDGDVERY-UHFFFAOYSA-N 1 1 378.429 3.518 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000843851316 900247761 /nfs/dbraw/zinc/24/77/61/900247761.db2.gz HFNCJGRDGDVERY-UHFFFAOYSA-N 1 1 378.429 3.518 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000843901097 900316158 /nfs/dbraw/zinc/31/61/58/900316158.db2.gz MIRZSVXVRJMELA-UHFFFAOYSA-N 1 1 385.439 3.827 20 5 GHBDMO C[N@@H+](CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)Cc1ccccc1 ZINC001186294894 914445853 /nfs/dbraw/zinc/44/58/53/914445853.db2.gz LFEYAZAUHRKMPG-UHFFFAOYSA-N 1 1 385.489 3.711 20 5 GHBDMO Cn1nc(CCC[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1-c1ccc(F)cc1 ZINC000885971022 900659092 /nfs/dbraw/zinc/65/90/92/900659092.db2.gz NLHILMSBQKKVEW-UHFFFAOYSA-N 1 1 383.427 3.594 20 5 GHBDMO Cn1nc(CCC[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1-c1ccc(F)cc1 ZINC000885971022 900659099 /nfs/dbraw/zinc/65/90/99/900659099.db2.gz NLHILMSBQKKVEW-UHFFFAOYSA-N 1 1 383.427 3.594 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000772904558 900838842 /nfs/dbraw/zinc/83/88/42/900838842.db2.gz MSTNAPUMXZOHBI-IUODEOHRSA-N 1 1 380.286 3.810 20 5 GHBDMO Cc1ccc(C)n1C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263664664 902370471 /nfs/dbraw/zinc/37/04/71/902370471.db2.gz FCBHEZBJRFACHY-UHFFFAOYSA-N 1 1 381.436 3.900 20 5 GHBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000290443880 914684260 /nfs/dbraw/zinc/68/42/60/914684260.db2.gz LYVIRWAQKJLAPQ-UHFFFAOYSA-N 1 1 396.495 3.666 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000132563498 903276470 /nfs/dbraw/zinc/27/64/70/903276470.db2.gz KEWULKWJBOLGIA-YVEFUNNKSA-N 1 1 397.397 3.703 20 5 GHBDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171426080 904577001 /nfs/dbraw/zinc/57/70/01/904577001.db2.gz JORVCSKIQCMSCX-QFIPXVFZSA-N 1 1 397.450 3.720 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(Br)cc1 ZINC000801601270 921179877 /nfs/dbraw/zinc/17/98/77/921179877.db2.gz DPGDRUACTDCKKP-KRWDZBQOSA-N 1 1 379.254 3.565 20 5 GHBDMO COc1ccc(C2(N)CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)cc1 ZINC001172906689 905933015 /nfs/dbraw/zinc/93/30/15/905933015.db2.gz OHXMKJLZHCHIRQ-FQEVSTJZSA-N 1 1 395.503 3.801 20 5 GHBDMO O=C([C@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)N1CCCCC1 ZINC001172910701 906017858 /nfs/dbraw/zinc/01/78/58/906017858.db2.gz ODBRKYNBODEWGC-PMACEKPBSA-N 1 1 385.508 3.567 20 5 GHBDMO CC(C)C(=O)N1CCC[C@@]12CC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172912194 906021565 /nfs/dbraw/zinc/02/15/65/906021565.db2.gz YPIQGPONBZEKNB-UGKGYDQZSA-N 1 1 385.508 3.565 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912518 906021686 /nfs/dbraw/zinc/02/16/86/906021686.db2.gz BEKVLHZAVOGKPY-MJGOQNOKSA-N 1 1 389.496 3.831 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912981 906022095 /nfs/dbraw/zinc/02/20/95/906022095.db2.gz NUSFCYMCCMKSAZ-JLSDUUJJSA-N 1 1 389.496 3.830 20 5 GHBDMO CC(C)N1CC[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@H](C)C1 ZINC001173014557 906092693 /nfs/dbraw/zinc/09/26/93/906092693.db2.gz SEKJEPWOVRFYEQ-AUUYWEPGSA-N 1 1 396.482 3.550 20 5 GHBDMO C[N@@H+](CC1CC(F)(F)C1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018473 906095579 /nfs/dbraw/zinc/09/55/79/906095579.db2.gz WEUHVLOTTNZHLK-UHFFFAOYSA-N 1 1 375.366 3.819 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1F ZINC001173176055 906251304 /nfs/dbraw/zinc/25/13/04/906251304.db2.gz GGGVLSQCBDAEDA-JYJNAYRXSA-N 1 1 381.492 3.631 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](CCN(C)C)c2ccccc2)c1F ZINC001173178245 906257114 /nfs/dbraw/zinc/25/71/14/906257114.db2.gz KMPNUGPSCMIMMT-CRAIPNDOSA-N 1 1 389.471 3.956 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCN(c3ccc(C)cc3)CC2)c1F ZINC001173187125 906268194 /nfs/dbraw/zinc/26/81/94/906268194.db2.gz XREFYGFRBZAZLD-INIZCTEOSA-N 1 1 387.455 3.804 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(Oc3cccnc3)CC2)c1F ZINC001173190727 906271825 /nfs/dbraw/zinc/27/18/25/906271825.db2.gz WFXBVGISIWFFPP-CQSZACIVSA-N 1 1 389.427 3.612 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1F ZINC001173190963 906273353 /nfs/dbraw/zinc/27/33/53/906273353.db2.gz YMPIEJNZYWPTSJ-KXBFYZLASA-N 1 1 387.455 3.662 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)c1F ZINC001173196601 906280641 /nfs/dbraw/zinc/28/06/41/906280641.db2.gz OEKZSWOAMZZSSU-MGPUTAFESA-N 1 1 399.466 3.589 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)c1F ZINC001173196601 906280657 /nfs/dbraw/zinc/28/06/57/906280657.db2.gz OEKZSWOAMZZSSU-MGPUTAFESA-N 1 1 399.466 3.589 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001173220954 906298146 /nfs/dbraw/zinc/29/81/46/906298146.db2.gz DLBNGAFENONRIM-OLMNPRSZSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001173220954 906298156 /nfs/dbraw/zinc/29/81/56/906298156.db2.gz DLBNGAFENONRIM-OLMNPRSZSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001173221687 906299284 /nfs/dbraw/zinc/29/92/84/906299284.db2.gz LIWPPQYUUFCFAW-HRAATJIYSA-N 1 1 389.496 3.859 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001173221606 906300199 /nfs/dbraw/zinc/30/01/99/906300199.db2.gz KNEKPGPXBNFRBI-JLSDUUJJSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001173221606 906300214 /nfs/dbraw/zinc/30/02/14/906300214.db2.gz KNEKPGPXBNFRBI-JLSDUUJJSA-N 1 1 375.469 3.610 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cnn(CC3CC3)c21 ZINC001173223213 906304354 /nfs/dbraw/zinc/30/43/54/906304354.db2.gz AHDCJDCUHRPOAL-JXFKEZNVSA-N 1 1 398.507 3.768 20 5 GHBDMO Cc1ccc(CN2C[C@@H]3C[NH+]([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@H]3C2)cc1 ZINC001173223669 906304960 /nfs/dbraw/zinc/30/49/60/906304960.db2.gz GMCAQLPFJNDCBE-VLCRHTCISA-N 1 1 379.504 3.898 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001173230041 906314847 /nfs/dbraw/zinc/31/48/47/906314847.db2.gz YRNAQBHVLFDARV-AYBZRNKSSA-N 1 1 386.521 3.579 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001173232479 906317976 /nfs/dbraw/zinc/31/79/76/906317976.db2.gz BPBAGIVOZIXKDX-CRAIPNDOSA-N 1 1 397.450 3.785 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1[C@H](C(N)=O)c1ccccc1 ZINC001173231905 906318220 /nfs/dbraw/zinc/31/82/20/906318220.db2.gz DMBFADDWEGWIRG-TYCQWZJGSA-N 1 1 381.476 3.649 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001173234455 906322213 /nfs/dbraw/zinc/32/22/13/906322213.db2.gz RQXWPGZHLMDAJI-HLLBOEOZSA-N 1 1 377.485 3.903 20 5 GHBDMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc([N+](=O)[O-])ccc3OC)ccc2NC1=O ZINC000180002385 906655724 /nfs/dbraw/zinc/65/57/24/906655724.db2.gz FYEVLXCQURFABX-PXAZEXFGSA-N 1 1 385.420 3.564 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000191394615 906955762 /nfs/dbraw/zinc/95/57/62/906955762.db2.gz JBULQPRIRCCDIK-LJQANCHMSA-N 1 1 396.491 3.898 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(O)(c4ccccc4)CC3)co2)cc1 ZINC000185519170 907784576 /nfs/dbraw/zinc/78/45/76/907784576.db2.gz GCMWKAJBSXQVIQ-UHFFFAOYSA-N 1 1 379.416 3.733 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000779605739 907863158 /nfs/dbraw/zinc/86/31/58/907863158.db2.gz YETABQGHCYXZDI-CYBMUJFWSA-N 1 1 399.285 3.769 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000779605739 907863167 /nfs/dbraw/zinc/86/31/67/907863167.db2.gz YETABQGHCYXZDI-CYBMUJFWSA-N 1 1 399.285 3.769 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC001176849854 908294319 /nfs/dbraw/zinc/29/43/19/908294319.db2.gz RNLQXDCXZFYENA-HXUWFJFHSA-N 1 1 391.468 3.579 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC001176849854 908294335 /nfs/dbraw/zinc/29/43/35/908294335.db2.gz RNLQXDCXZFYENA-HXUWFJFHSA-N 1 1 391.468 3.579 20 5 GHBDMO COc1cc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])ccc1S(C)(=O)=O ZINC001176984480 908346152 /nfs/dbraw/zinc/34/61/52/908346152.db2.gz KFYQEFPIPDBMBN-NSHDSACASA-N 1 1 398.868 3.511 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001177122828 908398975 /nfs/dbraw/zinc/39/89/75/908398975.db2.gz ZCOGPDUZNMXPRO-MRXNPFEDSA-N 1 1 377.391 3.560 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001177122828 908398989 /nfs/dbraw/zinc/39/89/89/908398989.db2.gz ZCOGPDUZNMXPRO-MRXNPFEDSA-N 1 1 377.391 3.560 20 5 GHBDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000795398585 910202493 /nfs/dbraw/zinc/20/24/93/910202493.db2.gz XICJBJJROKNQRW-BFUOFWGJSA-N 1 1 393.846 3.631 20 5 GHBDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000795398585 910202507 /nfs/dbraw/zinc/20/25/07/910202507.db2.gz XICJBJJROKNQRW-BFUOFWGJSA-N 1 1 393.846 3.631 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)cc1[N+](=O)[O-] ZINC000271148347 910794770 /nfs/dbraw/zinc/79/47/70/910794770.db2.gz PXNFGUQSSGUOGE-ZDUSSCGKSA-N 1 1 390.436 3.870 20 5 GHBDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000795646018 911678179 /nfs/dbraw/zinc/67/81/79/911678179.db2.gz UIRHWQSUJVGUAK-UHFFFAOYSA-N 1 1 394.353 3.975 20 5 GHBDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000795646018 911678184 /nfs/dbraw/zinc/67/81/84/911678184.db2.gz UIRHWQSUJVGUAK-UHFFFAOYSA-N 1 1 394.353 3.975 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001186905937 914892298 /nfs/dbraw/zinc/89/22/98/914892298.db2.gz NZNJGBUNLZOJHF-HRCADAONSA-N 1 1 379.464 3.959 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)cc1 ZINC000796363028 915000014 /nfs/dbraw/zinc/00/00/14/915000014.db2.gz LECZDZZYYIXTOZ-XZOQPEGZSA-N 1 1 392.455 3.864 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000303754303 915085427 /nfs/dbraw/zinc/08/54/27/915085427.db2.gz MQMYQCCHNDDWIJ-HZPDHXFCSA-N 1 1 383.448 3.728 20 5 GHBDMO CC(C)([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000292262921 915587265 /nfs/dbraw/zinc/58/72/65/915587265.db2.gz YVUQPFQSJWSBEB-UHFFFAOYSA-N 1 1 384.404 3.616 20 5 GHBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000364037681 919086321 /nfs/dbraw/zinc/08/63/21/919086321.db2.gz VQCIZHJMBIVYAQ-SFHVURJKSA-N 1 1 396.491 3.760 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000117334305 919537237 /nfs/dbraw/zinc/53/72/37/919537237.db2.gz GTLGTIYHXGNUBZ-UHFFFAOYSA-N 1 1 397.406 3.821 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1nc2ccccc2s1 ZINC000117334148 919537946 /nfs/dbraw/zinc/53/79/46/919537946.db2.gz PTQYQUXMJUZUIS-UHFFFAOYSA-N 1 1 398.444 3.635 20 5 GHBDMO CCS[C@@H]1CCCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000117341303 919538084 /nfs/dbraw/zinc/53/80/84/919538084.db2.gz QMLUHSZUBKPNNK-OAHLLOKOSA-N 1 1 379.482 3.500 20 5 GHBDMO CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000800466441 920134185 /nfs/dbraw/zinc/13/41/85/920134185.db2.gz ATZSISWTXOFUMX-JXFKEZNVSA-N 1 1 385.464 3.758 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000298414782 920511515 /nfs/dbraw/zinc/51/15/15/920511515.db2.gz XHEXBMCGACAWQS-HIFRSBDPSA-N 1 1 378.322 3.682 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000298414782 920511537 /nfs/dbraw/zinc/51/15/37/920511537.db2.gz XHEXBMCGACAWQS-HIFRSBDPSA-N 1 1 378.322 3.682 20 5 GHBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000801525471 921095630 /nfs/dbraw/zinc/09/56/30/921095630.db2.gz KZLZSVFSVYAUOK-ZBFHGGJFSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000801525471 921095644 /nfs/dbraw/zinc/09/56/44/921095644.db2.gz KZLZSVFSVYAUOK-ZBFHGGJFSA-N 1 1 381.448 3.859 20 5 GHBDMO COc1cccc(NC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000368543080 922738399 /nfs/dbraw/zinc/73/83/99/922738399.db2.gz KZADFXPXWNJSAF-UHFFFAOYSA-N 1 1 382.420 3.821 20 5 GHBDMO O=C(CC[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000409902309 925116216 /nfs/dbraw/zinc/11/62/16/925116216.db2.gz XCDPHENTRPBABY-OAHLLOKOSA-N 1 1 389.477 3.666 20 5 GHBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[N@@H+](CC4CCCCC4)CC3)cc2N1 ZINC000725787702 926437700 /nfs/dbraw/zinc/43/77/00/926437700.db2.gz KCRUOFIPYPIGCQ-UHFFFAOYSA-N 1 1 386.496 3.572 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000726972779 926964360 /nfs/dbraw/zinc/96/43/60/926964360.db2.gz FBICUWUVHGSGJK-IRLDBZIGSA-N 1 1 397.475 3.820 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C2CC2)C1 ZINC000749490352 927138664 /nfs/dbraw/zinc/13/86/64/927138664.db2.gz KBRGRHLPQOLENC-INIZCTEOSA-N 1 1 379.432 3.708 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C2CC2)C1 ZINC000749490352 927138667 /nfs/dbraw/zinc/13/86/67/927138667.db2.gz KBRGRHLPQOLENC-INIZCTEOSA-N 1 1 379.432 3.708 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)c2ncc([N+](=O)[O-])cc12 ZINC000749945452 927362731 /nfs/dbraw/zinc/36/27/31/927362731.db2.gz OIVIXYHVKZAIEH-OAHLLOKOSA-N 1 1 385.855 3.966 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Br ZINC000467028221 928613227 /nfs/dbraw/zinc/61/32/27/928613227.db2.gz GZPWNLZLKYRQPD-UHFFFAOYSA-N 1 1 378.226 3.671 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000544117277 928827213 /nfs/dbraw/zinc/82/72/13/928827213.db2.gz NJFYALRWPTXTDY-MGPUTAFESA-N 1 1 395.459 3.576 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752794132 929025790 /nfs/dbraw/zinc/02/57/90/929025790.db2.gz VPFXDZBEWOSJLI-SJLPKXTDSA-N 1 1 380.448 3.672 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[C@H]1c1cccs1 ZINC000544393550 929126517 /nfs/dbraw/zinc/12/65/17/929126517.db2.gz XPFGOMHPMUNEIT-UGSOOPFHSA-N 1 1 383.477 3.516 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000467556645 929199895 /nfs/dbraw/zinc/19/98/95/929199895.db2.gz XRFJFDGVDVOBSF-QFBILLFUSA-N 1 1 398.459 3.915 20 5 GHBDMO Cc1cc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000753715943 929496489 /nfs/dbraw/zinc/49/64/89/929496489.db2.gz HCWHXYVFOKZASG-FUHWJXTLSA-N 1 1 396.491 3.516 20 5 GHBDMO C[N@@H+](CCOc1ccc(Cl)cc1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000753916325 929590856 /nfs/dbraw/zinc/59/08/56/929590856.db2.gz RTYXGRUQWHMBMI-UHFFFAOYSA-N 1 1 395.818 3.727 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757111319 929651002 /nfs/dbraw/zinc/65/10/02/929651002.db2.gz VOMBLYQYTMGZGZ-HZPDHXFCSA-N 1 1 393.484 3.729 20 5 GHBDMO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780768680 930595371 /nfs/dbraw/zinc/59/53/71/930595371.db2.gz TYICVIMHBZEVJE-QBIMZIAESA-N 1 1 386.477 3.581 20 5 GHBDMO O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781802315 930987991 /nfs/dbraw/zinc/98/79/91/930987991.db2.gz YLUJQOYOYIITPS-OAHLLOKOSA-N 1 1 392.358 3.628 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1)C(C)C ZINC000470882323 930996560 /nfs/dbraw/zinc/99/65/60/930996560.db2.gz HOOCFSFQPSGWAN-UHFFFAOYSA-N 1 1 397.475 3.729 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](c2ccccc2F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782496329 931242265 /nfs/dbraw/zinc/24/22/65/931242265.db2.gz NLIRONNZCHZHCJ-CYBMUJFWSA-N 1 1 375.375 3.691 20 5 GHBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000557527466 931519455 /nfs/dbraw/zinc/51/94/55/931519455.db2.gz PMKACZFTILZXHN-HNNXBMFYSA-N 1 1 399.447 3.562 20 5 GHBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000557527466 931519458 /nfs/dbraw/zinc/51/94/58/931519458.db2.gz PMKACZFTILZXHN-HNNXBMFYSA-N 1 1 399.447 3.562 20 5 GHBDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000557619113 931576392 /nfs/dbraw/zinc/57/63/92/931576392.db2.gz QXCCGVIBVIHTEQ-GFCCVEGCSA-N 1 1 387.440 3.622 20 5 GHBDMO C/C(=C\C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895276 931707070 /nfs/dbraw/zinc/70/70/70/931707070.db2.gz YPGORIPUYVBILZ-GOFCXVBSSA-N 1 1 385.489 3.623 20 5 GHBDMO C/C(=C\C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895751 931708097 /nfs/dbraw/zinc/70/80/97/931708097.db2.gz KOXQHCQOMPNGDJ-MAUBAPBLSA-N 1 1 379.460 3.561 20 5 GHBDMO Cc1ccc(N(C)[C@@H]2CCC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000784376831 931874177 /nfs/dbraw/zinc/87/41/77/931874177.db2.gz CXDAFIOKSLJTNQ-LJQANCHMSA-N 1 1 396.491 3.751 20 5 GHBDMO Cc1ccc(N(C)[C@@H]2CCC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000784376831 931874182 /nfs/dbraw/zinc/87/41/82/931874182.db2.gz CXDAFIOKSLJTNQ-LJQANCHMSA-N 1 1 396.491 3.751 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000784504972 931916175 /nfs/dbraw/zinc/91/61/75/931916175.db2.gz KXZDYCSFIBFISN-RYQLBKOJSA-N 1 1 375.469 3.720 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000784531217 931927218 /nfs/dbraw/zinc/92/72/18/931927218.db2.gz ZZOHOUXSAQGWAD-KBRIMQKVSA-N 1 1 393.459 3.859 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CC[N@@H+]2C2CCOCC2)c2ccccc2)c1 ZINC000927104570 932413463 /nfs/dbraw/zinc/41/34/63/932413463.db2.gz NMTUNLKKOZFKAJ-VXKWHMMOSA-N 1 1 381.476 3.527 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CC[N@H+]2C2CCOCC2)c2ccccc2)c1 ZINC000927104570 932413468 /nfs/dbraw/zinc/41/34/68/932413468.db2.gz NMTUNLKKOZFKAJ-VXKWHMMOSA-N 1 1 381.476 3.527 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000798965405 932843140 /nfs/dbraw/zinc/84/31/40/932843140.db2.gz RRZAYODAMYEZAF-CYBMUJFWSA-N 1 1 393.390 3.632 20 5 GHBDMO C[N@@H+](CCCOCc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000799163565 932894522 /nfs/dbraw/zinc/89/45/22/932894522.db2.gz RHBNTECJGTVNIN-UHFFFAOYSA-N 1 1 380.448 3.955 20 5 GHBDMO CSc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC001115821431 933212303 /nfs/dbraw/zinc/21/23/03/933212303.db2.gz QMGHZSOUYMOFHJ-UHFFFAOYSA-N 1 1 399.516 3.973 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000561107726 933873881 /nfs/dbraw/zinc/87/38/81/933873881.db2.gz PFZRLGYKMBOKBF-LJQANCHMSA-N 1 1 385.464 3.691 20 5 GHBDMO CCC[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000777957623 934384407 /nfs/dbraw/zinc/38/44/07/934384407.db2.gz UQVDBSNXLYIWHT-ZCNNSNEGSA-N 1 1 384.480 3.941 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@]4(CC(F)(F)C4(F)F)C3)o2)cc1 ZINC000931917220 934764425 /nfs/dbraw/zinc/76/44/25/934764425.db2.gz CGOYYVPULXSRTQ-CQSZACIVSA-N 1 1 386.305 3.511 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@]4(CC(F)(F)C4(F)F)C3)o2)cc1 ZINC000931917220 934764429 /nfs/dbraw/zinc/76/44/29/934764429.db2.gz CGOYYVPULXSRTQ-CQSZACIVSA-N 1 1 386.305 3.511 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1)CC1CC1 ZINC001137802858 935797873 /nfs/dbraw/zinc/79/78/73/935797873.db2.gz DEMNFWLVMPIQAB-UHFFFAOYSA-N 1 1 391.487 3.637 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1F ZINC000830010704 935890320 /nfs/dbraw/zinc/89/03/20/935890320.db2.gz YSBHVEUARKCNRH-UKRRQHHQSA-N 1 1 389.402 3.574 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000830401018 935940569 /nfs/dbraw/zinc/94/05/69/935940569.db2.gz FKVGJLQBSIKIOY-DYESRHJHSA-N 1 1 397.450 3.861 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000547277441 1016878442 /nfs/dbraw/zinc/87/84/42/1016878442.db2.gz JMOSDJGVVYIHSF-NVXWUHKLSA-N 1 1 399.466 3.791 20 5 GHBDMO C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@H+]1CCc2sccc2C1 ZINC000561142227 1017802602 /nfs/dbraw/zinc/80/26/02/1017802602.db2.gz SIAPEWYYURLVCI-SNVBAGLBSA-N 1 1 375.479 3.520 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](Cc4nccs4)C3)o2)cc1 ZINC000932207370 1018143018 /nfs/dbraw/zinc/14/30/18/1018143018.db2.gz RKNUYCPVFQNJRF-ZDUSSCGKSA-N 1 1 385.449 3.556 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](Cc4nccs4)C3)o2)cc1 ZINC000932207370 1018143023 /nfs/dbraw/zinc/14/30/23/1018143023.db2.gz RKNUYCPVFQNJRF-ZDUSSCGKSA-N 1 1 385.449 3.556 20 5 GHBDMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000932636393 1018547370 /nfs/dbraw/zinc/54/73/70/1018547370.db2.gz VWKMEWKQEMNZET-HNNXBMFYSA-N 1 1 387.411 3.593 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932800812 1018676131 /nfs/dbraw/zinc/67/61/31/1018676131.db2.gz MHCYAJCNLYRJDF-OVQGTLEDSA-N 1 1 385.508 3.811 20 5 GHBDMO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)C1 ZINC001155996013 1032828748 /nfs/dbraw/zinc/82/87/48/1032828748.db2.gz JJIRGPVIRVKSHI-AWEZNQCLSA-N 1 1 380.517 3.952 20 5 GHBDMO COC(=O)c1cnc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000570438787 1019607577 /nfs/dbraw/zinc/60/75/77/1019607577.db2.gz DKFDPPYVGAWWEZ-OAHLLOKOSA-N 1 1 398.463 3.763 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000045622704 1019813788 /nfs/dbraw/zinc/81/37/88/1019813788.db2.gz UNWXNRTWVSHGHT-KRWDZBQOSA-N 1 1 396.491 3.826 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000801935944 1021456536 /nfs/dbraw/zinc/45/65/36/1021456536.db2.gz HFWSCLPQXMAYAG-INIZCTEOSA-N 1 1 389.496 3.990 20 5 GHBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC001140350989 1021471760 /nfs/dbraw/zinc/47/17/60/1021471760.db2.gz PNQOXOWBHODMFR-GOSISDBHSA-N 1 1 397.406 3.517 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000836224963 1022744062 /nfs/dbraw/zinc/74/40/62/1022744062.db2.gz GDYQOBDYFYBACN-MRXNPFEDSA-N 1 1 377.828 3.717 20 5 GHBDMO COC(=O)c1cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001228769872 1033087668 /nfs/dbraw/zinc/08/76/68/1033087668.db2.gz CWCSGHJWUDTXEQ-YWZLYKJASA-N 1 1 384.432 3.671 20 5 GHBDMO CC[N@@H+](CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000755212707 1023130864 /nfs/dbraw/zinc/13/08/64/1023130864.db2.gz QDXSJWZSVUMIKW-UHFFFAOYSA-N 1 1 382.770 3.644 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000755879412 1023416519 /nfs/dbraw/zinc/41/65/19/1023416519.db2.gz MCVYNLPXIRROKX-DOTOQJQBSA-N 1 1 384.432 3.671 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N2CCOC[C@@H]2c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC001156733967 1033212246 /nfs/dbraw/zinc/21/22/46/1033212246.db2.gz YLEGFHQXSORFHC-LKGOPFMKSA-N 1 1 388.855 3.753 20 5 GHBDMO COc1ccc(OC)c([C@H](O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000831539721 1024630428 /nfs/dbraw/zinc/63/04/28/1024630428.db2.gz VKJNVHVSESSOKV-OXQOHEQNSA-N 1 1 386.448 3.525 20 5 GHBDMO OC[C@@H]1C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@@H]1O ZINC001138810925 1025404511 /nfs/dbraw/zinc/40/45/11/1025404511.db2.gz RIMJWHICVUGWQR-FPTDNZKUSA-N 1 1 385.467 3.741 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCC1 ZINC000839410617 1025895236 /nfs/dbraw/zinc/89/52/36/1025895236.db2.gz JAGDNXQQHDIHDT-UHFFFAOYSA-N 1 1 389.402 3.658 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839503905 1025990955 /nfs/dbraw/zinc/99/09/55/1025990955.db2.gz KAJQIUVHOUOPQK-AWEZNQCLSA-N 1 1 382.302 3.521 20 5 GHBDMO C[N@H+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H]1Cc1ccccc1 ZINC001163260287 1026110974 /nfs/dbraw/zinc/11/09/74/1026110974.db2.gz IVMDPSMWTKNNGN-MRXNPFEDSA-N 1 1 397.866 3.555 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)c3c(Cl)cncc3[N+](=O)[O-])C2)s1 ZINC001163642572 1026264106 /nfs/dbraw/zinc/26/41/06/1026264106.db2.gz GXKOFVIUPHDNSA-CYBMUJFWSA-N 1 1 380.901 3.971 20 5 GHBDMO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165202833 1026665240 /nfs/dbraw/zinc/66/52/40/1026665240.db2.gz PMWMATQOMHJDQG-CVEARBPZSA-N 1 1 377.448 3.637 20 5 GHBDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000840157752 1027290787 /nfs/dbraw/zinc/29/07/87/1027290787.db2.gz ZCRXZHVIXXUADY-UHFFFAOYSA-N 1 1 375.454 3.721 20 5 GHBDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000840157752 1027290801 /nfs/dbraw/zinc/29/08/01/1027290801.db2.gz ZCRXZHVIXXUADY-UHFFFAOYSA-N 1 1 375.454 3.721 20 5 GHBDMO COc1ccc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232300 1069454753 /nfs/dbraw/zinc/45/47/53/1069454753.db2.gz OGMCGTIYQIBDJD-DNVCBOLYSA-N 1 1 375.494 3.838 20 5 GHBDMO COc1ccc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232300 1069454755 /nfs/dbraw/zinc/45/47/55/1069454755.db2.gz OGMCGTIYQIBDJD-DNVCBOLYSA-N 1 1 375.494 3.838 20 5 GHBDMO Cc1cc(N2CCOCC2)ccc1[N@@H+]1c2ccccc2C=C2C(=O)C(N)=CC=C21 ZINC001213567049 1028271655 /nfs/dbraw/zinc/27/16/55/1028271655.db2.gz VVPKJKRWWRDNSH-UHFFFAOYSA-N 1 1 385.467 3.823 20 5 GHBDMO Cc1cc(N2CCOCC2)ccc1[N@H+]1c2ccccc2C=C2C(=O)C(N)=CC=C21 ZINC001213567049 1028271671 /nfs/dbraw/zinc/27/16/71/1028271671.db2.gz VVPKJKRWWRDNSH-UHFFFAOYSA-N 1 1 385.467 3.823 20 5 GHBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303089427 1028734977 /nfs/dbraw/zinc/73/49/77/1028734977.db2.gz PADUSOSUPYWGMW-HNNXBMFYSA-N 1 1 391.269 3.829 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)Cc1cccc(O)c1 ZINC001142853286 1029585763 /nfs/dbraw/zinc/58/57/63/1029585763.db2.gz OLZBAIMXVVPEJU-UHFFFAOYSA-N 1 1 387.439 3.843 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC001216391040 1029624113 /nfs/dbraw/zinc/62/41/13/1029624113.db2.gz UYSDGFBXVXFDRG-NEPJUHHUSA-N 1 1 399.289 3.742 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccc2c[nH]nc2c1 ZINC001149357797 1030147071 /nfs/dbraw/zinc/14/70/71/1030147071.db2.gz YBAMEDOLKKRUQP-UHFFFAOYSA-N 1 1 397.438 3.820 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001150120172 1030405961 /nfs/dbraw/zinc/40/59/61/1030405961.db2.gz UEGMJMDYZCAOMS-PBHICJAKSA-N 1 1 391.537 3.946 20 5 GHBDMO COC(=O)c1ccc(CO[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001223412168 1030563801 /nfs/dbraw/zinc/56/38/01/1030563801.db2.gz YKLCJXVEUNWHAC-HRAATJIYSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001223448531 1030579189 /nfs/dbraw/zinc/57/91/89/1030579189.db2.gz NXRBITWUTWQIDU-KKSFZXQISA-N 1 1 398.459 3.809 20 5 GHBDMO COc1ccc([C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC[NH2+]2)cc1 ZINC001150940924 1030715983 /nfs/dbraw/zinc/71/59/83/1030715983.db2.gz ARUSXCCJTKHHTC-QGZVFWFLSA-N 1 1 397.456 3.605 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4CC[NH2+]CC[C@H]4F)ccc3c21 ZINC001218014153 1030723695 /nfs/dbraw/zinc/72/36/95/1030723695.db2.gz FTVBKMHJARSUAI-CVEARBPZSA-N 1 1 383.375 3.867 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@H]2CCC[NH2+]C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218288591 1030872902 /nfs/dbraw/zinc/87/29/02/1030872902.db2.gz ZHJBUFCWQZNCSE-AWEZNQCLSA-N 1 1 395.455 3.997 20 5 GHBDMO O=[N+]([O-])c1ccc(CO[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001224098713 1030883182 /nfs/dbraw/zinc/88/31/82/1030883182.db2.gz AVSHXHWKRWHFMF-NBHGPNQESA-N 1 1 397.431 3.930 20 5 GHBDMO C[C@@H](Oc1ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC001218344269 1030904602 /nfs/dbraw/zinc/90/46/02/1030904602.db2.gz UFQUDDBRXFCEJL-KUHUBIRLSA-N 1 1 386.448 3.946 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1cccc2c1OCCCO2 ZINC001461717174 1069699274 /nfs/dbraw/zinc/69/92/74/1069699274.db2.gz DIPNBXDPFOETIR-UHFFFAOYSA-N 1 1 393.237 3.808 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@@H]2C[NH2+][C@H]2C)c2c(=O)c3cccc(O)c3oc12 ZINC001218389235 1030916817 /nfs/dbraw/zinc/91/68/17/1030916817.db2.gz WXCJFZHBPUWFIF-KPZWWZAWSA-N 1 1 381.428 3.605 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001219005449 1031207532 /nfs/dbraw/zinc/20/75/32/1031207532.db2.gz OEKUFFFSRXTCKR-NRFANRHFSA-N 1 1 392.503 3.803 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC001152744528 1031346024 /nfs/dbraw/zinc/34/60/24/1031346024.db2.gz VIBAWMYDIMFBLW-GOSISDBHSA-N 1 1 397.475 3.730 20 5 GHBDMO CCOc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC001219317526 1031354381 /nfs/dbraw/zinc/35/43/81/1031354381.db2.gz DMKGIACQMSMBQG-LSDHHAIUSA-N 1 1 390.484 3.768 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001225449789 1031420074 /nfs/dbraw/zinc/42/00/74/1031420074.db2.gz AOPRUEMJKDOIGF-FFZOFVMBSA-N 1 1 396.443 3.671 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001225593825 1031495906 /nfs/dbraw/zinc/49/59/06/1031495906.db2.gz AGLDBKPQNOHABS-HUUCEWRRSA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001225593825 1031495920 /nfs/dbraw/zinc/49/59/20/1031495920.db2.gz AGLDBKPQNOHABS-HUUCEWRRSA-N 1 1 386.408 3.811 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1Cl ZINC001225789723 1031606184 /nfs/dbraw/zinc/60/61/84/1031606184.db2.gz WEVMKZOAINLLPT-INIZCTEOSA-N 1 1 376.840 3.918 20 5 GHBDMO CC[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC001153909421 1031808560 /nfs/dbraw/zinc/80/85/60/1031808560.db2.gz AMOMPFXJGXUAMD-FQEVSTJZSA-N 1 1 395.503 3.995 20 5 GHBDMO CC[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001153909421 1031808573 /nfs/dbraw/zinc/80/85/73/1031808573.db2.gz AMOMPFXJGXUAMD-FQEVSTJZSA-N 1 1 395.503 3.995 20 5 GHBDMO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001220221219 1031844245 /nfs/dbraw/zinc/84/42/45/1031844245.db2.gz VNBMABBCYHCKKM-HJOGWXRNSA-N 1 1 389.543 3.852 20 5 GHBDMO Cc1ccc(N2CCC[C@H](Oc3ncc([N+](=O)[O-])cc3Br)C2)[nH+]c1 ZINC001226344596 1031922426 /nfs/dbraw/zinc/92/24/26/1031922426.db2.gz RCZMNQHCIKXUFY-ZDUSSCGKSA-N 1 1 393.241 3.504 20 5 GHBDMO CC[N@H+]1CC[C@H](Oc2ccc3c(c2)occ(-c2ccc([N+](=O)[O-])cc2)c3=O)C1 ZINC001229267815 1033380851 /nfs/dbraw/zinc/38/08/51/1033380851.db2.gz TUMPVFPMWXGLBN-KRWDZBQOSA-N 1 1 380.400 3.841 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229361887 1033438467 /nfs/dbraw/zinc/43/84/67/1033438467.db2.gz PPAOHFZYPYWZAQ-KUHUBIRLSA-N 1 1 394.431 3.533 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001205504314 1033443824 /nfs/dbraw/zinc/44/38/24/1033443824.db2.gz ZDZQYTMYSDGSGR-CQSZACIVSA-N 1 1 387.427 3.618 20 5 GHBDMO C[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001157524220 1033638997 /nfs/dbraw/zinc/63/89/97/1033638997.db2.gz LDSMNTDEVLGVPJ-QUCCMNQESA-N 1 1 395.503 3.769 20 5 GHBDMO CCOC[C@@H](C)Oc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229808906 1033731484 /nfs/dbraw/zinc/73/14/84/1033731484.db2.gz VNMKPIQQQPAWRR-OAHLLOKOSA-N 1 1 381.476 3.692 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001230245724 1033960201 /nfs/dbraw/zinc/96/02/01/1033960201.db2.gz BZPNBOUJHBKVJE-OEWRPIJISA-N 1 1 395.459 3.843 20 5 GHBDMO CCc1cc(N2CC[N@@H+](C)CC23CCCC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158409799 1034065679 /nfs/dbraw/zinc/06/56/79/1034065679.db2.gz CWTBOIBTOWJZTE-UHFFFAOYSA-N 1 1 381.480 3.679 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231055651 1034368094 /nfs/dbraw/zinc/36/80/94/1034368094.db2.gz LZYYKQBVWYJSTR-DNVCBOLYSA-N 1 1 378.432 3.827 20 5 GHBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001231198537 1034458591 /nfs/dbraw/zinc/45/85/91/1034458591.db2.gz QKKWZHGBPPPABU-FVCICTRLSA-N 1 1 377.441 3.910 20 5 GHBDMO CS(=O)(=O)N1CC[NH+](Cc2c3ccccc3c(Cl)c3ccccc32)CC1 ZINC001231826840 1034932083 /nfs/dbraw/zinc/93/20/83/1034932083.db2.gz KSQJKHGNBUCMJJ-UHFFFAOYSA-N 1 1 388.920 3.724 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@]1(O)C(F)(F)F ZINC001232217878 1035166980 /nfs/dbraw/zinc/16/69/80/1035166980.db2.gz BAPILASLRGNKKR-BFUOFWGJSA-N 1 1 375.394 3.918 20 5 GHBDMO CCOC[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2cnn(C)c21 ZINC001232223089 1035170082 /nfs/dbraw/zinc/17/00/82/1035170082.db2.gz UUPRIPNLNIWESI-LJQANCHMSA-N 1 1 387.487 3.652 20 5 GHBDMO CCOC[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2cnn(C)c21 ZINC001232223089 1035170087 /nfs/dbraw/zinc/17/00/87/1035170087.db2.gz UUPRIPNLNIWESI-LJQANCHMSA-N 1 1 387.487 3.652 20 5 GHBDMO O[C@@]1(CNc2cc3cccnc3c3ncccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC001252936486 1039276815 /nfs/dbraw/zinc/27/68/15/1039276815.db2.gz BINVYVKYWSFQIP-XMMPIXPASA-N 1 1 384.483 3.832 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(O[C@@H]3CCc4[nH+]ccn4C3)cc(C(F)(F)F)c2c1 ZINC001233967025 1039732995 /nfs/dbraw/zinc/73/29/95/1039732995.db2.gz DVXDXTGHOGJSKR-LLVKDONJSA-N 1 1 378.310 3.752 20 5 GHBDMO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001254236919 1040088670 /nfs/dbraw/zinc/08/86/70/1040088670.db2.gz DBIHTTOHFKVGEB-NWDGAFQWSA-N 1 1 379.844 3.901 20 5 GHBDMO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479766 1040265520 /nfs/dbraw/zinc/26/55/20/1040265520.db2.gz KRTVSWPSKUHQHB-FCHUYYIVSA-N 1 1 386.540 3.902 20 5 GHBDMO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479766 1040265537 /nfs/dbraw/zinc/26/55/37/1040265537.db2.gz KRTVSWPSKUHQHB-FCHUYYIVSA-N 1 1 386.540 3.902 20 5 GHBDMO C[N@@H+](CCCC(=O)c1cccnc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479922 1040266109 /nfs/dbraw/zinc/26/61/09/1040266109.db2.gz QFYSNJBMZFWTBD-UHFFFAOYSA-N 1 1 382.464 3.554 20 5 GHBDMO Cc1ccnc(O[C@H]2CCC[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)c1 ZINC001254482012 1040270488 /nfs/dbraw/zinc/27/04/88/1040270488.db2.gz HHSDAMGIPXCQAR-NRFANRHFSA-N 1 1 396.491 3.810 20 5 GHBDMO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H](C)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC001254538470 1040310552 /nfs/dbraw/zinc/31/05/52/1040310552.db2.gz VTAJKRJCCFORHJ-KXBFYZLASA-N 1 1 395.459 3.786 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001254550259 1040316697 /nfs/dbraw/zinc/31/66/97/1040316697.db2.gz GVJHZAMTWFEDAZ-AWEZNQCLSA-N 1 1 394.397 3.762 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001254550607 1040318131 /nfs/dbraw/zinc/31/81/31/1040318131.db2.gz NCDHNGRBEHPUKG-WBVHZDCISA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001254550784 1040318808 /nfs/dbraw/zinc/31/88/08/1040318808.db2.gz QXBHSAQGCQILEZ-CVEARBPZSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254551496 1040319044 /nfs/dbraw/zinc/31/90/44/1040319044.db2.gz CGSVQUYXTDZPHN-KBAYOESNSA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001254553762 1040323589 /nfs/dbraw/zinc/32/35/89/1040323589.db2.gz YRFRYKDEUDVAHV-JLSDUUJJSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001254571387 1040347812 /nfs/dbraw/zinc/34/78/12/1040347812.db2.gz UDJKQNIUSFBNRC-CRAIPNDOSA-N 1 1 389.496 4.000 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594342 1040367595 /nfs/dbraw/zinc/36/75/95/1040367595.db2.gz QBDVBAWNZWLKGH-GHTZIAJQSA-N 1 1 387.480 3.537 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCc3ncnc(-c4ccccc4)c3CC1)C2 ZINC001254596100 1040370071 /nfs/dbraw/zinc/37/00/71/1040370071.db2.gz OGQBWIUJZLEQJH-FQEVSTJZSA-N 1 1 386.455 3.620 20 5 GHBDMO CCOC(=O)[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1c1ccccc1 ZINC001254605996 1040378718 /nfs/dbraw/zinc/37/87/18/1040378718.db2.gz DROBVHLSHRTRAX-FSSWDIPSSA-N 1 1 394.471 3.731 20 5 GHBDMO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610611 1040381695 /nfs/dbraw/zinc/38/16/95/1040381695.db2.gz LTPNYLWWNDBAOZ-NQIIRXRSSA-N 1 1 380.444 3.517 20 5 GHBDMO O=[N+]([O-])c1cnc(Cl)c(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255457068 1041061818 /nfs/dbraw/zinc/06/18/18/1041061818.db2.gz QDBDHLIXOUNUBV-CYBMUJFWSA-N 1 1 385.811 3.683 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c([N+](=O)[O-])c1 ZINC001255488623 1041084789 /nfs/dbraw/zinc/08/47/89/1041084789.db2.gz ZHEXWJVTTSGUKV-CQSZACIVSA-N 1 1 395.375 3.543 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@@H]3Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001256099548 1041527347 /nfs/dbraw/zinc/52/73/47/1041527347.db2.gz REQONRYLSGGHIK-HXUWFJFHSA-N 1 1 396.491 3.674 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001292423170 1043726521 /nfs/dbraw/zinc/72/65/21/1043726521.db2.gz UBHKTDYMJXNHSM-RVKKMQEKSA-N 1 1 377.460 3.530 20 5 GHBDMO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1cc[nH+]c1C)C(C)C ZINC001295162168 1044934809 /nfs/dbraw/zinc/93/48/09/1044934809.db2.gz WBOZSUWPITWRND-UHFFFAOYSA-N 1 1 397.483 3.683 20 5 GHBDMO CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(C)CC2)C[C@H]1C ZINC001296145110 1045263423 /nfs/dbraw/zinc/26/34/23/1045263423.db2.gz DAPSBHHHWIWUJV-MRXNPFEDSA-N 1 1 398.511 3.574 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001301866779 1046735884 /nfs/dbraw/zinc/73/58/84/1046735884.db2.gz DCYCNZOLEYHEIH-MIPMUCIVSA-N 1 1 379.460 3.635 20 5 GHBDMO COc1ccc([C@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC001302183612 1046862533 /nfs/dbraw/zinc/86/25/33/1046862533.db2.gz PHYVGEMSFNEWNN-LJQANCHMSA-N 1 1 397.475 3.688 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001287508494 1048801432 /nfs/dbraw/zinc/80/14/32/1048801432.db2.gz ZMWRXRNUHTWVJM-INIZCTEOSA-N 1 1 390.443 3.662 20 5 GHBDMO CC(C)Oc1nc(N2CCC[N@@H+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001306939530 1048969580 /nfs/dbraw/zinc/96/95/80/1048969580.db2.gz GELDRPIRRAGFGT-UHFFFAOYSA-N 1 1 376.501 3.869 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)c2c1 ZINC001307140783 1049099482 /nfs/dbraw/zinc/09/94/82/1049099482.db2.gz HNOXEENLJHCTDG-INIZCTEOSA-N 1 1 392.459 3.862 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC001307430948 1049267081 /nfs/dbraw/zinc/26/70/81/1049267081.db2.gz QHLACGNBSXLCEJ-IBGZPJMESA-N 1 1 383.448 3.726 20 5 GHBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001307545535 1049389234 /nfs/dbraw/zinc/38/92/34/1049389234.db2.gz XNJINSHSBZJXBI-IRXDYDNUSA-N 1 1 381.448 3.588 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001307651780 1049478946 /nfs/dbraw/zinc/47/89/46/1049478946.db2.gz CKWQURBPQDOHLY-UHFFFAOYSA-N 1 1 385.247 3.775 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307817871 1049613420 /nfs/dbraw/zinc/61/34/20/1049613420.db2.gz NAPQIBDRXIKLKX-UKRRQHHQSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC001307900820 1049678712 /nfs/dbraw/zinc/67/87/12/1049678712.db2.gz MBYMVIXTWZHSID-YOEHRIQHSA-N 1 1 390.867 3.650 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC001290509261 1049863000 /nfs/dbraw/zinc/86/30/00/1049863000.db2.gz SBOKSQNZVWIEPX-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001308129991 1049873937 /nfs/dbraw/zinc/87/39/37/1049873937.db2.gz XEFLRGJGZMZTSO-GOSISDBHSA-N 1 1 391.265 3.841 20 5 GHBDMO C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CS1(=O)=O ZINC001329558713 1050842403 /nfs/dbraw/zinc/84/24/03/1050842403.db2.gz UZLJOFGTTWAEAD-AAEUAGOBSA-N 1 1 398.868 3.564 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c2c(c1)COCO2 ZINC001335030012 1052026604 /nfs/dbraw/zinc/02/66/04/1052026604.db2.gz CRCJUDKHNXFCPS-CQSZACIVSA-N 1 1 394.431 3.717 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001312079108 1052560441 /nfs/dbraw/zinc/56/04/41/1052560441.db2.gz OKZLSQYYCITGBH-HXUWFJFHSA-N 1 1 384.480 3.551 20 5 GHBDMO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001312817644 1052881082 /nfs/dbraw/zinc/88/10/82/1052881082.db2.gz UUVHUVXFEGFBOR-MBOZVWFJSA-N 1 1 396.491 3.661 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)o1 ZINC001319726110 1055427144 /nfs/dbraw/zinc/42/71/44/1055427144.db2.gz CQJDPXOHNOJNPM-UHFFFAOYSA-N 1 1 392.839 3.890 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2CCOC3(CCOCC3)C2)o1 ZINC001319726110 1055427158 /nfs/dbraw/zinc/42/71/58/1055427158.db2.gz CQJDPXOHNOJNPM-UHFFFAOYSA-N 1 1 392.839 3.890 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001320359123 1055771029 /nfs/dbraw/zinc/77/10/29/1055771029.db2.gz HWZOHZXTEFRHDU-IBGZPJMESA-N 1 1 394.475 3.517 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001321525490 1056303331 /nfs/dbraw/zinc/30/33/31/1056303331.db2.gz VAWVJDOPOXEKSX-FQEVSTJZSA-N 1 1 375.469 3.600 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC001322782099 1056847216 /nfs/dbraw/zinc/84/72/16/1056847216.db2.gz UOJOAELIRXXHDD-INIZCTEOSA-N 1 1 385.464 3.803 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848480606 1057117781 /nfs/dbraw/zinc/11/77/81/1057117781.db2.gz RJHQPBWWNZWJFS-INIZCTEOSA-N 1 1 378.432 3.914 20 5 GHBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485789 1057121843 /nfs/dbraw/zinc/12/18/43/1057121843.db2.gz XAYFRWVJLACLOL-HXUWFJFHSA-N 1 1 392.459 3.872 20 5 GHBDMO CC[N@H+](Cc1c[nH]c2ccccc12)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485789 1057121846 /nfs/dbraw/zinc/12/18/46/1057121846.db2.gz XAYFRWVJLACLOL-HXUWFJFHSA-N 1 1 392.459 3.872 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001324610890 1057179230 /nfs/dbraw/zinc/17/92/30/1057179230.db2.gz LLCITQHJLGWSGH-GOSISDBHSA-N 1 1 381.476 3.741 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC001325192725 1057287181 /nfs/dbraw/zinc/28/71/81/1057287181.db2.gz FLDVBRYRJCVDRD-SJLPKXTDSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC001325192725 1057287182 /nfs/dbraw/zinc/28/71/82/1057287182.db2.gz FLDVBRYRJCVDRD-SJLPKXTDSA-N 1 1 391.830 3.871 20 5 GHBDMO CC(C)Oc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001355907623 1057311181 /nfs/dbraw/zinc/31/11/81/1057311181.db2.gz VPYVJKBFDNGYLE-UHFFFAOYSA-N 1 1 385.464 3.634 20 5 GHBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001440205186 1058462291 /nfs/dbraw/zinc/46/22/91/1058462291.db2.gz WBIPXXFHBOHOOJ-USXIJHARSA-N 1 1 397.500 3.816 20 5 GHBDMO CSc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC001338391445 1058544336 /nfs/dbraw/zinc/54/43/36/1058544336.db2.gz RTAWXCCWTVBEAW-UHFFFAOYSA-N 1 1 399.516 3.973 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001441525071 1058807306 /nfs/dbraw/zinc/80/73/06/1058807306.db2.gz TYBVANAIIULEOC-OAHLLOKOSA-N 1 1 384.480 3.715 20 5 GHBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001445053762 1059449697 /nfs/dbraw/zinc/44/96/97/1059449697.db2.gz ZAFCQDVUFOLHRS-OAQYLSRUSA-N 1 1 399.466 3.837 20 5 GHBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001445053762 1059449705 /nfs/dbraw/zinc/44/97/05/1059449705.db2.gz ZAFCQDVUFOLHRS-OAQYLSRUSA-N 1 1 399.466 3.837 20 5 GHBDMO C[NH+]1CCC2(CCCN(Cc3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC001339862406 1059523592 /nfs/dbraw/zinc/52/35/92/1059523592.db2.gz QFALALSKXNVDKH-UHFFFAOYSA-N 1 1 382.302 3.665 20 5 GHBDMO CCOC(=O)C1(CC(F)F)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001339884430 1059535884 /nfs/dbraw/zinc/53/58/84/1059535884.db2.gz UUCYFPLLHBRLFD-UHFFFAOYSA-N 1 1 393.390 3.948 20 5 GHBDMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc([N+](=O)[O-])ccc1F ZINC001449231156 1060359764 /nfs/dbraw/zinc/35/97/64/1060359764.db2.gz UNFLXZQEGZBDOJ-SFHVURJKSA-N 1 1 383.379 3.588 20 5 GHBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001450779993 1060687342 /nfs/dbraw/zinc/68/73/42/1060687342.db2.gz LAWQVEBIXIIGAT-VIFPVBQESA-N 1 1 380.247 3.891 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001454842410 1061945130 /nfs/dbraw/zinc/94/51/30/1061945130.db2.gz DZFAHGGRZKWFQL-YOEHRIQHSA-N 1 1 377.510 3.653 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001457989733 1063488408 /nfs/dbraw/zinc/48/84/08/1063488408.db2.gz BVFCDLARUVOQOP-ZWKOTPCHSA-N 1 1 395.503 3.994 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001457989733 1063488431 /nfs/dbraw/zinc/48/84/31/1063488431.db2.gz BVFCDLARUVOQOP-ZWKOTPCHSA-N 1 1 395.503 3.994 20 5 GHBDMO CCc1cc(NCC[N@@H+](C)C2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458129948 1063587471 /nfs/dbraw/zinc/58/74/71/1063587471.db2.gz HXFSCXSTTFHBQE-UHFFFAOYSA-N 1 1 383.496 3.713 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001458208911 1063659392 /nfs/dbraw/zinc/65/93/92/1063659392.db2.gz XSVBONSDRZJSDS-SFHVURJKSA-N 1 1 397.475 3.648 20 5 GHBDMO COC(=O)c1cnc(S[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001458449362 1063813183 /nfs/dbraw/zinc/81/31/83/1063813183.db2.gz ZTOCKUYEKYVUFY-MRXNPFEDSA-N 1 1 387.461 3.533 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001458536293 1063872934 /nfs/dbraw/zinc/87/29/34/1063872934.db2.gz KRXDQDFZOGGTFT-CRAIPNDOSA-N 1 1 394.475 3.660 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001438339147 1064038197 /nfs/dbraw/zinc/03/81/97/1064038197.db2.gz XJELWAQLEOSWIL-SJLPKXTDSA-N 1 1 399.516 3.571 20 5 GHBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccc(Br)cc1 ZINC001459481430 1064110253 /nfs/dbraw/zinc/11/02/53/1064110253.db2.gz PKQVURYGFXGTNO-UHFFFAOYSA-N 1 1 379.254 3.911 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC001459741604 1064195804 /nfs/dbraw/zinc/19/58/04/1064195804.db2.gz SIEICGHKBOZUGL-IBGZPJMESA-N 1 1 388.439 3.918 20 5 GHBDMO CCOc1cc(N2CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC001460046983 1064372178 /nfs/dbraw/zinc/37/21/78/1064372178.db2.gz SXVOUHROLVIWDV-ICSRJNTNSA-N 1 1 385.439 3.811 20 5 GHBDMO CCOc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001466997092 1066435044 /nfs/dbraw/zinc/43/50/44/1066435044.db2.gz PLIOCIXFXHBTLT-MRXNPFEDSA-N 1 1 398.463 3.732 20 5 GHBDMO CCOc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001466997092 1066435052 /nfs/dbraw/zinc/43/50/52/1066435052.db2.gz PLIOCIXFXHBTLT-MRXNPFEDSA-N 1 1 398.463 3.732 20 5 GHBDMO C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@H](c2ccccc2)C1 ZINC001467070597 1067048449 /nfs/dbraw/zinc/04/84/49/1067048449.db2.gz ZZBAXTYGJRADMZ-FQEVSTJZSA-N 1 1 391.431 3.664 20 5 GHBDMO C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@H](c2ccccc2)C1 ZINC001467070597 1067048465 /nfs/dbraw/zinc/04/84/65/1067048465.db2.gz ZZBAXTYGJRADMZ-FQEVSTJZSA-N 1 1 391.431 3.664 20 5 GHBDMO CC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001469665654 1068295032 /nfs/dbraw/zinc/29/50/32/1068295032.db2.gz RGNAHIOBFDJIBZ-RTWAWAEBSA-N 1 1 396.491 3.614 20 5 GHBDMO CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001469665654 1068295038 /nfs/dbraw/zinc/29/50/38/1068295038.db2.gz RGNAHIOBFDJIBZ-RTWAWAEBSA-N 1 1 396.491 3.614 20 5 GHBDMO C[C@@H](NC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001469751951 1068357650 /nfs/dbraw/zinc/35/76/50/1068357650.db2.gz HPBOFBGTVJGUJW-ZACQAIPSSA-N 1 1 388.512 3.651 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001470203312 1068623946 /nfs/dbraw/zinc/62/39/46/1068623946.db2.gz QANKDNREJLCRBG-UHFFFAOYSA-N 1 1 396.491 3.791 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001460095234 1068779500 /nfs/dbraw/zinc/77/95/00/1068779500.db2.gz BSEQJYDNTITWJL-KNQAVFIVSA-N 1 1 384.476 3.778 20 5 GHBDMO CCO[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001460351619 1068937665 /nfs/dbraw/zinc/93/76/65/1068937665.db2.gz KJOXUDKLQZOXFX-IIDMSEBBSA-N 1 1 393.484 3.517 20 5 GHBDMO Cc1c(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001478429241 1078865549 /nfs/dbraw/zinc/86/55/49/1078865549.db2.gz GVLHLPNYMCXLIO-QGZVFWFLSA-N 1 1 396.491 3.567 20 5 GHBDMO C[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C1CCCC1 ZINC001471823912 1073227204 /nfs/dbraw/zinc/22/72/04/1073227204.db2.gz APVJNGOEEKLMKC-CQSZACIVSA-N 1 1 379.888 3.656 20 5 GHBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC001472703260 1073627143 /nfs/dbraw/zinc/62/71/43/1073627143.db2.gz HBQWZFKMGCVMAS-CQSZACIVSA-N 1 1 381.411 3.560 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001472713094 1073631022 /nfs/dbraw/zinc/63/10/22/1073631022.db2.gz DIOCAXIUMGWKOK-NRFANRHFSA-N 1 1 396.447 3.996 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3nccc4c3cccc4[N+](=O)[O-])C2)cc1 ZINC001472855432 1073695479 /nfs/dbraw/zinc/69/54/79/1073695479.db2.gz FTMJYAJQOMFVOV-SFHVURJKSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3nccc4c3cccc4[N+](=O)[O-])C2)cc1 ZINC001472855432 1073695486 /nfs/dbraw/zinc/69/54/86/1073695486.db2.gz FTMJYAJQOMFVOV-SFHVURJKSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001473178962 1073835419 /nfs/dbraw/zinc/83/54/19/1073835419.db2.gz BHDSIEAKICAGGJ-CBGDNZLLSA-N 1 1 379.460 3.887 20 5 GHBDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001473270161 1073900431 /nfs/dbraw/zinc/90/04/31/1073900431.db2.gz ONXBHARKERQMSD-QGZVFWFLSA-N 1 1 385.464 3.885 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473408000 1073952695 /nfs/dbraw/zinc/95/26/95/1073952695.db2.gz DOIGCCNLTFTFAY-IBGZPJMESA-N 1 1 386.452 3.749 20 5 GHBDMO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473408000 1073952699 /nfs/dbraw/zinc/95/26/99/1073952699.db2.gz DOIGCCNLTFTFAY-IBGZPJMESA-N 1 1 386.452 3.749 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001473455449 1073972263 /nfs/dbraw/zinc/97/22/63/1073972263.db2.gz ZDZTXKFWXPVXFJ-MRXNPFEDSA-N 1 1 393.484 3.743 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001473558149 1074015403 /nfs/dbraw/zinc/01/54/03/1074015403.db2.gz GFJZXGMPAXUMON-OAHLLOKOSA-N 1 1 378.469 3.937 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001473658972 1074071436 /nfs/dbraw/zinc/07/14/36/1074071436.db2.gz JWTHIRWAKXDUJO-IAOVAPTHSA-N 1 1 381.448 3.901 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001473658972 1074071439 /nfs/dbraw/zinc/07/14/39/1074071439.db2.gz JWTHIRWAKXDUJO-IAOVAPTHSA-N 1 1 381.448 3.901 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H]1COc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC001473834862 1074165525 /nfs/dbraw/zinc/16/55/25/1074165525.db2.gz YIZRHJTUIWZPDJ-INIZCTEOSA-N 1 1 387.411 3.606 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC001473849033 1074174539 /nfs/dbraw/zinc/17/45/39/1074174539.db2.gz YTUIDBRZHSZHRU-IBGZPJMESA-N 1 1 389.477 3.701 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001474348927 1074355612 /nfs/dbraw/zinc/35/56/12/1074355612.db2.gz MSXDBYLTCRYLOZ-GFCCVEGCSA-N 1 1 388.331 3.583 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001474348929 1074357049 /nfs/dbraw/zinc/35/70/49/1074357049.db2.gz MSXDBYLTCRYLOZ-LBPRGKRZSA-N 1 1 388.331 3.583 20 5 GHBDMO CCN(C(=O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ccccc1 ZINC001474709340 1074528319 /nfs/dbraw/zinc/52/83/19/1074528319.db2.gz GNARAQQLTOYJRQ-UHFFFAOYSA-N 1 1 398.282 3.562 20 5 GHBDMO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[nH]1 ZINC001474724361 1074534864 /nfs/dbraw/zinc/53/48/64/1074534864.db2.gz PVDCUIVSDUYMBI-GVXVVHGQSA-N 1 1 383.374 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000580846470 837414926 /nfs/dbraw/zinc/41/49/26/837414926.db2.gz MQTPAZPCOLWPEY-NQIIRXRSSA-N 1 1 381.476 3.787 20 5 GHBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000580846470 837414931 /nfs/dbraw/zinc/41/49/31/837414931.db2.gz MQTPAZPCOLWPEY-NQIIRXRSSA-N 1 1 381.476 3.787 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)c1ccccc1 ZINC000178061637 837709233 /nfs/dbraw/zinc/70/92/33/837709233.db2.gz QFOFQRUGTOSZCP-OAHLLOKOSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)c1ccccc1 ZINC000178061637 837709236 /nfs/dbraw/zinc/70/92/36/837709236.db2.gz QFOFQRUGTOSZCP-OAHLLOKOSA-N 1 1 387.867 3.890 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000175270567 834415613 /nfs/dbraw/zinc/41/56/13/834415613.db2.gz JVMLTQAKCSYNHY-LJQANCHMSA-N 1 1 381.476 3.887 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000536035106 834420457 /nfs/dbraw/zinc/42/04/57/834420457.db2.gz KFFDIGOTEDXUDY-KRWDZBQOSA-N 1 1 394.456 3.635 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000536035106 834420461 /nfs/dbraw/zinc/42/04/61/834420461.db2.gz KFFDIGOTEDXUDY-KRWDZBQOSA-N 1 1 394.456 3.635 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000480499760 834872546 /nfs/dbraw/zinc/87/25/46/834872546.db2.gz QJGUGCSPXLEBPN-MSOLQXFVSA-N 1 1 394.475 3.564 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246876510 834979122 /nfs/dbraw/zinc/97/91/22/834979122.db2.gz QGQYODRYPFXQNH-SIXWZSSISA-N 1 1 397.479 3.655 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610209014 835101933 /nfs/dbraw/zinc/10/19/33/835101933.db2.gz OBSYJLVDGVMYAS-ZBFHGGJFSA-N 1 1 379.526 3.946 20 5 GHBDMO O=C([C@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)CC2)N1CCCCC1 ZINC000611795728 835253389 /nfs/dbraw/zinc/25/33/89/835253389.db2.gz AVBHWYLBCRCSQW-QGZVFWFLSA-N 1 1 391.899 3.863 20 5 GHBDMO Cc1cc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000510121931 835489394 /nfs/dbraw/zinc/48/93/94/835489394.db2.gz ZTZQELDCQNPAAI-HKUYNNGSSA-N 1 1 381.476 3.934 20 5 GHBDMO Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000432860346 844057803 /nfs/dbraw/zinc/05/78/03/844057803.db2.gz RXVGYVGRIVWHLH-ZDUSSCGKSA-N 1 1 386.290 3.579 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000584211767 835764499 /nfs/dbraw/zinc/76/44/99/835764499.db2.gz IENXNUBKOAKAGC-INIZCTEOSA-N 1 1 385.464 3.803 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000410548341 835943785 /nfs/dbraw/zinc/94/37/85/835943785.db2.gz QVSQCEMRFIJLAK-PXNSSMCTSA-N 1 1 395.503 3.899 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000410548343 835944383 /nfs/dbraw/zinc/94/43/83/835944383.db2.gz QVSQCEMRFIJLAK-XLIONFOSSA-N 1 1 395.503 3.899 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1ccc(F)cc1 ZINC000053087834 836037010 /nfs/dbraw/zinc/03/70/10/836037010.db2.gz IYPUAKUFKMGWTO-CYBMUJFWSA-N 1 1 375.400 3.764 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1ccc(F)cc1 ZINC000053087834 836037024 /nfs/dbraw/zinc/03/70/24/836037024.db2.gz IYPUAKUFKMGWTO-CYBMUJFWSA-N 1 1 375.400 3.764 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000411169317 836086726 /nfs/dbraw/zinc/08/67/26/836086726.db2.gz CWSKRMKSEYFSRZ-CYBMUJFWSA-N 1 1 375.400 3.764 20 5 GHBDMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)ccc2NC1=O ZINC000180016804 836686609 /nfs/dbraw/zinc/68/66/09/836686609.db2.gz ASSYECKLCLHIKB-ZBEGNZNMSA-N 1 1 396.403 3.696 20 5 GHBDMO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580507640 837357348 /nfs/dbraw/zinc/35/73/48/837357348.db2.gz VCKYBPYGYBGXAD-MJGOQNOKSA-N 1 1 381.476 3.679 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000302058887 861191035 /nfs/dbraw/zinc/19/10/35/861191035.db2.gz RUGGAYAQVLAZEY-INIZCTEOSA-N 1 1 395.381 3.792 20 5 GHBDMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000055404296 861191124 /nfs/dbraw/zinc/19/11/24/861191124.db2.gz CJBLXXVZVXMYKR-ZFWWWQNUSA-N 1 1 387.461 3.637 20 5 GHBDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000055404296 861191130 /nfs/dbraw/zinc/19/11/30/861191130.db2.gz CJBLXXVZVXMYKR-ZFWWWQNUSA-N 1 1 387.461 3.637 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000756116778 838570878 /nfs/dbraw/zinc/57/08/78/838570878.db2.gz OXLOGARZOUQNQY-UHFFFAOYSA-N 1 1 388.424 3.635 20 5 GHBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167350604 838824846 /nfs/dbraw/zinc/82/48/46/838824846.db2.gz LXHHRLLNAJNLPZ-KRWDZBQOSA-N 1 1 393.484 3.825 20 5 GHBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167350605 838825138 /nfs/dbraw/zinc/82/51/38/838825138.db2.gz LXHHRLLNAJNLPZ-QGZVFWFLSA-N 1 1 393.484 3.825 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000536633735 839415732 /nfs/dbraw/zinc/41/57/32/839415732.db2.gz CZNQDHIEILPNAU-SFHVURJKSA-N 1 1 398.463 3.780 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000536633735 839415737 /nfs/dbraw/zinc/41/57/37/839415737.db2.gz CZNQDHIEILPNAU-SFHVURJKSA-N 1 1 398.463 3.780 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000549233839 839428477 /nfs/dbraw/zinc/42/84/77/839428477.db2.gz LHGHAJWKMRIXBR-GOSISDBHSA-N 1 1 397.475 3.588 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473502668 844441938 /nfs/dbraw/zinc/44/19/38/844441938.db2.gz BVCVSISAVJMYAS-HSZRJFAPSA-N 1 1 393.487 3.652 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000549300885 839938049 /nfs/dbraw/zinc/93/80/49/839938049.db2.gz YWTCKAJNYCDOSN-GOSISDBHSA-N 1 1 397.475 3.778 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000022310979 840035617 /nfs/dbraw/zinc/03/56/17/840035617.db2.gz MVBLHSGHQDJLRU-UHFFFAOYSA-N 1 1 375.226 3.797 20 5 GHBDMO C[N@H+](Cc1ccc(Br)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000022310979 840035624 /nfs/dbraw/zinc/03/56/24/840035624.db2.gz MVBLHSGHQDJLRU-UHFFFAOYSA-N 1 1 375.226 3.797 20 5 GHBDMO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000015099743 840178489 /nfs/dbraw/zinc/17/84/89/840178489.db2.gz RQIXLQNVNMCSJL-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000015099743 840178496 /nfs/dbraw/zinc/17/84/96/840178496.db2.gz RQIXLQNVNMCSJL-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000312746012 840200752 /nfs/dbraw/zinc/20/07/52/840200752.db2.gz YQLYWTFAHSYNAI-FQEVSTJZSA-N 1 1 387.867 3.890 20 5 GHBDMO Cc1ccc(OCC[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000015102561 840226164 /nfs/dbraw/zinc/22/61/64/840226164.db2.gz ZRKWJALPKYQOMJ-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO Cc1ccc(OCC[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000015102561 840226172 /nfs/dbraw/zinc/22/61/72/840226172.db2.gz ZRKWJALPKYQOMJ-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000177851443 840373245 /nfs/dbraw/zinc/37/32/45/840373245.db2.gz XPFAITBELYEHKJ-INIZCTEOSA-N 1 1 382.464 3.700 20 5 GHBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000050629065 840544247 /nfs/dbraw/zinc/54/42/47/840544247.db2.gz RRUCWNIXTVDYRY-UHFFFAOYSA-N 1 1 388.493 3.665 20 5 GHBDMO COc1ccccc1NC(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000047265708 840720555 /nfs/dbraw/zinc/72/05/55/840720555.db2.gz AIHVFUZDBWQBBJ-UHFFFAOYSA-N 1 1 375.450 3.516 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1ccccc1C(F)(F)F ZINC000187376160 840740769 /nfs/dbraw/zinc/74/07/69/840740769.db2.gz IGBQIVCPKMDMAE-GFCCVEGCSA-N 1 1 385.367 3.570 20 5 GHBDMO CC[C@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000123004290 840912183 /nfs/dbraw/zinc/91/21/83/840912183.db2.gz PYYALMFRDHUQGB-GOSISDBHSA-N 1 1 385.439 3.609 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000511841045 840914540 /nfs/dbraw/zinc/91/45/40/840914540.db2.gz FKLBGTZBHMHDOE-GGPKGHCWSA-N 1 1 395.459 3.810 20 5 GHBDMO O=C(NCC[N@@H+]1CC=CCC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000432169626 840920354 /nfs/dbraw/zinc/92/03/54/840920354.db2.gz BEMFUONJQBBKPC-UHFFFAOYSA-N 1 1 382.420 3.771 20 5 GHBDMO Cn1c2ccc(Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2[nH+]c1C1CC1 ZINC000276138466 841093021 /nfs/dbraw/zinc/09/30/21/841093021.db2.gz CCMOKQFZXLGKFV-UHFFFAOYSA-N 1 1 386.433 3.506 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123050833 841310353 /nfs/dbraw/zinc/31/03/53/841310353.db2.gz KDCZGFURLVMVJC-ZDUSSCGKSA-N 1 1 395.419 3.980 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000107555589 841378769 /nfs/dbraw/zinc/37/87/69/841378769.db2.gz OCBXULXFOPRWSL-KRWDZBQOSA-N 1 1 397.475 3.664 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312653376 841518909 /nfs/dbraw/zinc/51/89/09/841518909.db2.gz GBIABEFHZWDLIE-PBHICJAKSA-N 1 1 387.867 3.889 20 5 GHBDMO C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312653378 841545542 /nfs/dbraw/zinc/54/55/42/841545542.db2.gz GBIABEFHZWDLIE-WMLDXEAASA-N 1 1 387.867 3.889 20 5 GHBDMO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000108395929 841594472 /nfs/dbraw/zinc/59/44/72/841594472.db2.gz QXDZLQRGOUHOHX-DZGCQCFKSA-N 1 1 383.876 3.856 20 5 GHBDMO CCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000108395929 841594474 /nfs/dbraw/zinc/59/44/74/841594474.db2.gz QXDZLQRGOUHOHX-DZGCQCFKSA-N 1 1 383.876 3.856 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCc3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000108750564 841687351 /nfs/dbraw/zinc/68/73/51/841687351.db2.gz MVZKOBJGVJIDKB-OKILXGFUSA-N 1 1 390.461 3.623 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCc3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000108750564 841687355 /nfs/dbraw/zinc/68/73/55/841687355.db2.gz MVZKOBJGVJIDKB-OKILXGFUSA-N 1 1 390.461 3.623 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000108805223 841698850 /nfs/dbraw/zinc/69/88/50/841698850.db2.gz WVIHTYJNXDQXAV-LSDHHAIUSA-N 1 1 379.526 3.702 20 5 GHBDMO Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302196736 861235256 /nfs/dbraw/zinc/23/52/56/861235256.db2.gz SWEFBCMKKMMILX-UHFFFAOYSA-N 1 1 384.480 3.533 20 5 GHBDMO CNC(=O)c1ccc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000053562083 841780576 /nfs/dbraw/zinc/78/05/76/841780576.db2.gz KHVXJNMDCGXLAM-INIZCTEOSA-N 1 1 396.491 3.798 20 5 GHBDMO CNC(=O)c1ccc(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000053562365 841782541 /nfs/dbraw/zinc/78/25/41/841782541.db2.gz NFPDVJSYFLMOBT-INIZCTEOSA-N 1 1 396.491 3.941 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCCCNC1=O ZINC000123819076 841852944 /nfs/dbraw/zinc/85/29/44/841852944.db2.gz ZPQIXBGTXQPFJB-INIZCTEOSA-N 1 1 377.828 3.609 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCCCNC1=O ZINC000123819076 841852953 /nfs/dbraw/zinc/85/29/53/841852953.db2.gz ZPQIXBGTXQPFJB-INIZCTEOSA-N 1 1 377.828 3.609 20 5 GHBDMO CCC1([NH+]2CCOCC2)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000600208463 861250221 /nfs/dbraw/zinc/25/02/21/861250221.db2.gz LJBSDLMITRCBAQ-UHFFFAOYSA-N 1 1 399.491 3.932 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000109565248 841957913 /nfs/dbraw/zinc/95/79/13/841957913.db2.gz BVQVXKRMLBFFIH-ZDUSSCGKSA-N 1 1 393.896 3.952 20 5 GHBDMO CC1([NH+]2CCOCC2)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000600201774 861262609 /nfs/dbraw/zinc/26/26/09/861262609.db2.gz WIZCIAFLQWRTDF-UHFFFAOYSA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(CNCC3([NH+]4CCCCC4)CCOCC3)o2)c1 ZINC000111403744 842066459 /nfs/dbraw/zinc/06/64/59/842066459.db2.gz MDFYZXVWOYDGCB-UHFFFAOYSA-N 1 1 399.491 3.980 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048280120 842130800 /nfs/dbraw/zinc/13/08/00/842130800.db2.gz VKCPDPIOPDUVNR-LJQANCHMSA-N 1 1 383.452 3.508 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC([C@@H](O)c4ccccc4)CC3)o2)cc1 ZINC000045914022 842307215 /nfs/dbraw/zinc/30/72/15/842307215.db2.gz XIJTUFICCOPHSD-FQEVSTJZSA-N 1 1 394.431 3.590 20 5 GHBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000302051657 842307701 /nfs/dbraw/zinc/30/77/01/842307701.db2.gz OGESZHODQOQCOS-RYUDHWBXSA-N 1 1 383.290 3.817 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[N@H+]1C1CC1 ZINC000490194477 861309905 /nfs/dbraw/zinc/30/99/05/861309905.db2.gz WECNNXBVNLOTJA-WBVHZDCISA-N 1 1 394.475 3.562 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000247430601 842708951 /nfs/dbraw/zinc/70/89/51/842708951.db2.gz LYRBRUJTBDQUTM-YJBOKZPZSA-N 1 1 388.493 3.539 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCCN(c4ccccc4)CC3)c2)cc1 ZINC000728899723 842792549 /nfs/dbraw/zinc/79/25/49/842792549.db2.gz ZNNRGMPVIRIEEB-UHFFFAOYSA-N 1 1 377.448 3.628 20 5 GHBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899601 861346023 /nfs/dbraw/zinc/34/60/23/861346023.db2.gz BYDLUZXSWHKQON-MRXNPFEDSA-N 1 1 381.436 3.637 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000302773295 861357877 /nfs/dbraw/zinc/35/78/77/861357877.db2.gz NTONAUKQJKLSFR-QGZVFWFLSA-N 1 1 375.856 3.817 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000510629621 843090909 /nfs/dbraw/zinc/09/09/09/843090909.db2.gz NBHBJYQRBMTDFI-HXUWFJFHSA-N 1 1 381.476 3.698 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000510629621 843090920 /nfs/dbraw/zinc/09/09/20/843090920.db2.gz NBHBJYQRBMTDFI-HXUWFJFHSA-N 1 1 381.476 3.698 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566322 843116816 /nfs/dbraw/zinc/11/68/16/843116816.db2.gz ARSKFARMCFYJPH-WMZOPIPTSA-N 1 1 390.411 3.800 20 5 GHBDMO CCOCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599626433 861412907 /nfs/dbraw/zinc/41/29/07/861412907.db2.gz VWELODCVJDEGTD-LJQANCHMSA-N 1 1 383.448 3.559 20 5 GHBDMO CCOCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599626433 861412913 /nfs/dbraw/zinc/41/29/13/861412913.db2.gz VWELODCVJDEGTD-LJQANCHMSA-N 1 1 383.448 3.559 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000278882925 843507149 /nfs/dbraw/zinc/50/71/49/843507149.db2.gz YRGFVZYDUFAGTN-HNNXBMFYSA-N 1 1 384.436 3.612 20 5 GHBDMO COc1c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000474912839 861451753 /nfs/dbraw/zinc/45/17/53/861451753.db2.gz RQCSDGOMZMJRBF-INIZCTEOSA-N 1 1 397.475 3.765 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509750542 843892632 /nfs/dbraw/zinc/89/26/32/843892632.db2.gz JUYJHKNSDHVEDQ-FGTMMUONSA-N 1 1 390.528 3.881 20 5 GHBDMO C[NH+](C)Cc1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1Cl ZINC000500775797 844001012 /nfs/dbraw/zinc/00/10/12/844001012.db2.gz SSDUQWSRSPZOKC-UHFFFAOYSA-N 1 1 399.838 3.748 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126240346 844009446 /nfs/dbraw/zinc/00/94/46/844009446.db2.gz FQPAEMPNZSJFQO-FQEVSTJZSA-N 1 1 383.448 3.614 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126240346 844009450 /nfs/dbraw/zinc/00/94/50/844009450.db2.gz FQPAEMPNZSJFQO-FQEVSTJZSA-N 1 1 383.448 3.614 20 5 GHBDMO CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000471981794 844647450 /nfs/dbraw/zinc/64/74/50/844647450.db2.gz WLGBVFLKLQZASB-HNNXBMFYSA-N 1 1 387.505 3.861 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000512658145 844928400 /nfs/dbraw/zinc/92/84/00/844928400.db2.gz OGSIEPSHAKFJIZ-KRWDZBQOSA-N 1 1 386.448 3.828 20 5 GHBDMO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000509777793 845136064 /nfs/dbraw/zinc/13/60/64/845136064.db2.gz RXQRNRHAXPZAKS-LPHOPBHVSA-N 1 1 397.475 3.901 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000896745251 861580390 /nfs/dbraw/zinc/58/03/90/861580390.db2.gz HECGVRZFMIKERZ-JTQLQIEISA-N 1 1 392.258 3.845 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600313124 861581407 /nfs/dbraw/zinc/58/14/07/861581407.db2.gz IASZVRDLNAYTBU-HNNXBMFYSA-N 1 1 379.526 3.949 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H]([NH+]4CCCC4)CC3)o2)c1 ZINC000157089707 845846545 /nfs/dbraw/zinc/84/65/45/845846545.db2.gz LRTFOHWXCOXGPA-GOSISDBHSA-N 1 1 384.480 3.743 20 5 GHBDMO COc1cccc(CCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000513656150 846199268 /nfs/dbraw/zinc/19/92/68/846199268.db2.gz QFIVQMVRWJSZOY-FQEVSTJZSA-N 1 1 380.448 3.649 20 5 GHBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000280044355 846279087 /nfs/dbraw/zinc/27/90/87/846279087.db2.gz JEQZJQAKRXYZJG-INIZCTEOSA-N 1 1 380.491 3.617 20 5 GHBDMO COc1cc(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)c([N+](=O)[O-])cc1OC(F)F ZINC000450994246 846366823 /nfs/dbraw/zinc/36/68/23/846366823.db2.gz BTFWMPIBAPDZSY-MNOVXSKESA-N 1 1 381.379 3.820 20 5 GHBDMO CCN(CCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513755221 846478259 /nfs/dbraw/zinc/47/82/59/846478259.db2.gz QXOXTYFCBKLPFI-OAQYLSRUSA-N 1 1 393.491 3.924 20 5 GHBDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000501050830 846578230 /nfs/dbraw/zinc/57/82/30/846578230.db2.gz HTLRLHBSXKACHA-LSDHHAIUSA-N 1 1 383.448 3.940 20 5 GHBDMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511089254 846595368 /nfs/dbraw/zinc/59/53/68/846595368.db2.gz FQIPNCOLJGEERJ-OAHLLOKOSA-N 1 1 378.432 3.645 20 5 GHBDMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511089254 846595373 /nfs/dbraw/zinc/59/53/73/846595373.db2.gz FQIPNCOLJGEERJ-OAHLLOKOSA-N 1 1 378.432 3.645 20 5 GHBDMO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511097515 846809924 /nfs/dbraw/zinc/80/99/24/846809924.db2.gz WEZJPISWJOFKRP-CABCVRRESA-N 1 1 389.883 3.988 20 5 GHBDMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511097515 846809933 /nfs/dbraw/zinc/80/99/33/846809933.db2.gz WEZJPISWJOFKRP-CABCVRRESA-N 1 1 389.883 3.988 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000501548157 846995051 /nfs/dbraw/zinc/99/50/51/846995051.db2.gz DMSUWZWXOBIZIL-HNNXBMFYSA-N 1 1 393.237 3.979 20 5 GHBDMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511110745 847066120 /nfs/dbraw/zinc/06/61/20/847066120.db2.gz RROQZONRPCMSJF-UHFFFAOYSA-N 1 1 396.491 3.616 20 5 GHBDMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511110745 847066128 /nfs/dbraw/zinc/06/61/28/847066128.db2.gz RROQZONRPCMSJF-UHFFFAOYSA-N 1 1 396.491 3.616 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC000562061134 847381149 /nfs/dbraw/zinc/38/11/49/847381149.db2.gz FKJLQMSXTVQKFJ-SJORKVTESA-N 1 1 387.430 3.827 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCc3cccc(F)c3)C3CC3)n2)cc1 ZINC000303668984 861829819 /nfs/dbraw/zinc/82/98/19/861829819.db2.gz WSZKKYAHPYATDB-UHFFFAOYSA-N 1 1 382.395 3.991 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCc3cccc(F)c3)C3CC3)n2)cc1 ZINC000303668984 861829834 /nfs/dbraw/zinc/82/98/34/861829834.db2.gz WSZKKYAHPYATDB-UHFFFAOYSA-N 1 1 382.395 3.991 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000132110784 861910884 /nfs/dbraw/zinc/91/08/84/861910884.db2.gz GIKYZBPRDUHJEB-LAUBAEHRSA-N 1 1 381.476 3.649 20 5 GHBDMO CSCC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nnc2ccccn21 ZINC000582856898 848571728 /nfs/dbraw/zinc/57/17/28/848571728.db2.gz UICYGJICCXUFAS-CVEARBPZSA-N 1 1 383.477 3.709 20 5 GHBDMO C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000612474032 848626888 /nfs/dbraw/zinc/62/68/88/848626888.db2.gz IAYKDWQDAWVVJN-HOTGVXAUSA-N 1 1 385.439 3.570 20 5 GHBDMO C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000612474032 848626895 /nfs/dbraw/zinc/62/68/95/848626895.db2.gz IAYKDWQDAWVVJN-HOTGVXAUSA-N 1 1 385.439 3.570 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)c3ccccc3OC)o2)c([N+](=O)[O-])c1 ZINC000522536599 862024429 /nfs/dbraw/zinc/02/44/29/862024429.db2.gz VWGXVYFTYZYTRJ-SFHVURJKSA-N 1 1 398.415 3.695 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)ccn1 ZINC000856533830 881342477 /nfs/dbraw/zinc/34/24/77/881342477.db2.gz OVSWQVMLXVGUFD-KRWDZBQOSA-N 1 1 390.871 3.753 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000504523621 850118709 /nfs/dbraw/zinc/11/87/09/850118709.db2.gz GDCBIFBXZVLFHG-QGZVFWFLSA-N 1 1 389.402 3.999 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000510021184 850170993 /nfs/dbraw/zinc/17/09/93/850170993.db2.gz XNBKWDKTVYOLMM-MJBXVCDLSA-N 1 1 375.494 3.906 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@@H](c4ccc(Cl)cc4)C3)n2)cc1 ZINC000732187740 862112754 /nfs/dbraw/zinc/11/27/54/862112754.db2.gz ZEIUVYNAXVKPOG-MRXNPFEDSA-N 1 1 383.839 3.954 20 5 GHBDMO CC(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000504868454 850379978 /nfs/dbraw/zinc/37/99/78/850379978.db2.gz FVVJVMAILWTQPN-FQEVSTJZSA-N 1 1 382.464 3.799 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@](O)(C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426497430 850415169 /nfs/dbraw/zinc/41/51/69/850415169.db2.gz KYVXUVBTHYENNE-JOCHJYFZSA-N 1 1 398.459 3.529 20 5 GHBDMO CC(C)(C)Oc1cc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000487076525 850428115 /nfs/dbraw/zinc/42/81/15/850428115.db2.gz SFYGSOGIRPCLLZ-RTBURBONSA-N 1 1 399.491 3.819 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000027690655 850681849 /nfs/dbraw/zinc/68/18/49/850681849.db2.gz DHAOGJHKHQYGDO-CQSZACIVSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000027690655 850681858 /nfs/dbraw/zinc/68/18/58/850681858.db2.gz DHAOGJHKHQYGDO-CQSZACIVSA-N 1 1 391.855 3.894 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425004029 850843439 /nfs/dbraw/zinc/84/34/39/850843439.db2.gz NAHZYDGOVAZURA-HNAYVOBHSA-N 1 1 385.851 3.595 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487715954 850869477 /nfs/dbraw/zinc/86/94/77/850869477.db2.gz DVJUSWJTNAEBDG-JXFKEZNVSA-N 1 1 377.448 3.667 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccs1 ZINC000435814557 850873858 /nfs/dbraw/zinc/87/38/58/850873858.db2.gz WWWBDSBGXBIREH-LJQANCHMSA-N 1 1 391.496 3.776 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435814072 850894975 /nfs/dbraw/zinc/89/49/75/850894975.db2.gz PPGSBKSCAIHTIV-INIZCTEOSA-N 1 1 377.488 3.676 20 5 GHBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)c1ccccc1 ZINC000514088186 851227319 /nfs/dbraw/zinc/22/73/19/851227319.db2.gz KHFBHKNKSMKKMV-JXFKEZNVSA-N 1 1 379.464 3.532 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H]1C1CCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000436253808 851385679 /nfs/dbraw/zinc/38/56/79/851385679.db2.gz OCJFJQUMBARZGG-KRWDZBQOSA-N 1 1 386.477 3.921 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000488470905 851542031 /nfs/dbraw/zinc/54/20/31/851542031.db2.gz SBSPUYHVVUDTOR-JXFKEZNVSA-N 1 1 399.516 3.714 20 5 GHBDMO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430103709 851556956 /nfs/dbraw/zinc/55/69/56/851556956.db2.gz LTQYDVSRWAGMON-MRXNPFEDSA-N 1 1 392.477 3.644 20 5 GHBDMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430103709 851556962 /nfs/dbraw/zinc/55/69/62/851556962.db2.gz LTQYDVSRWAGMON-MRXNPFEDSA-N 1 1 392.477 3.644 20 5 GHBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)C1 ZINC000430118527 851600858 /nfs/dbraw/zinc/60/08/58/851600858.db2.gz CCBNSISYIQCKBH-CLCXKQKWSA-N 1 1 386.521 3.880 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](CCOc3c(Cl)cccc3Cl)CC2)n1 ZINC000488750560 851750726 /nfs/dbraw/zinc/75/07/26/851750726.db2.gz UNWCUAWVOLLVSN-UHFFFAOYSA-N 1 1 385.251 3.814 20 5 GHBDMO COC(=O)c1cccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000517438398 851960846 /nfs/dbraw/zinc/96/08/46/851960846.db2.gz BOAYDGBAOBXNIC-UHFFFAOYSA-N 1 1 383.429 3.795 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505834054 851983470 /nfs/dbraw/zinc/98/34/70/851983470.db2.gz RRRURUOTHKUSMC-KRWDZBQOSA-N 1 1 383.448 3.633 20 5 GHBDMO C[N@H+](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCSC1 ZINC000489193334 852104589 /nfs/dbraw/zinc/10/45/89/852104589.db2.gz CUMJVDCOUTYHGZ-MRXNPFEDSA-N 1 1 387.461 3.763 20 5 GHBDMO C[N@@H+](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCSC1 ZINC000489193334 852104596 /nfs/dbraw/zinc/10/45/96/852104596.db2.gz CUMJVDCOUTYHGZ-MRXNPFEDSA-N 1 1 387.461 3.763 20 5 GHBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000516080547 852127394 /nfs/dbraw/zinc/12/73/94/852127394.db2.gz KWOVXKBRSCUBRB-KUHUBIRLSA-N 1 1 384.411 3.614 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489330143 852236389 /nfs/dbraw/zinc/23/63/89/852236389.db2.gz MZDNDGPDJOOLBU-PXNSSMCTSA-N 1 1 396.491 3.928 20 5 GHBDMO CC(C)[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000489352020 852238156 /nfs/dbraw/zinc/23/81/56/852238156.db2.gz BKUIUSCOAWDAQS-NRFANRHFSA-N 1 1 396.491 3.619 20 5 GHBDMO CN(C(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000028958420 852328949 /nfs/dbraw/zinc/32/89/49/852328949.db2.gz WGNKJHSWNRDVHQ-UHFFFAOYSA-N 1 1 381.354 3.708 20 5 GHBDMO CN(C(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000028958420 852328960 /nfs/dbraw/zinc/32/89/60/852328960.db2.gz WGNKJHSWNRDVHQ-UHFFFAOYSA-N 1 1 381.354 3.708 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489673742 852523448 /nfs/dbraw/zinc/52/34/48/852523448.db2.gz BEEHFTGNIQLYDJ-UHFFFAOYSA-N 1 1 383.492 3.947 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489673742 852523453 /nfs/dbraw/zinc/52/34/53/852523453.db2.gz BEEHFTGNIQLYDJ-UHFFFAOYSA-N 1 1 383.492 3.947 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000489896829 852630923 /nfs/dbraw/zinc/63/09/23/852630923.db2.gz GGWPTOSAQQTTRV-IRXDYDNUSA-N 1 1 376.501 3.918 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000507202069 852651679 /nfs/dbraw/zinc/65/16/79/852651679.db2.gz GIODVJHETHUWRX-HOTGVXAUSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1cc(C[NH+]2CCC(OC)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000506312502 852673065 /nfs/dbraw/zinc/67/30/65/852673065.db2.gz MJTDTIRMANAYQA-UHFFFAOYSA-N 1 1 386.448 3.793 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)COc2ccccc2Cl)C2CC2)c1 ZINC000490421764 853006562 /nfs/dbraw/zinc/00/65/62/853006562.db2.gz VSYMCSROAHCOFL-KRWDZBQOSA-N 1 1 376.840 3.653 20 5 GHBDMO C[N@@H+](CCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)Cc1ccccc1 ZINC000426254032 853176775 /nfs/dbraw/zinc/17/67/75/853176775.db2.gz UBGIONHMLRFUJO-UHFFFAOYSA-N 1 1 396.491 3.791 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2CCc3c(F)ccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000437531461 853233605 /nfs/dbraw/zinc/23/36/05/853233605.db2.gz ABVLEQNKGHLTOQ-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCc3c(F)ccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000437531461 853233614 /nfs/dbraw/zinc/23/36/14/853233614.db2.gz ABVLEQNKGHLTOQ-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000543892611 853248918 /nfs/dbraw/zinc/24/89/18/853248918.db2.gz NQRVAAHPUBZDPL-DOTOQJQBSA-N 1 1 398.463 3.636 20 5 GHBDMO COc1ccc(C2([NH2+]Cc3c(F)cc([N+](=O)[O-])cc3F)CCOCC2)cc1 ZINC000586767156 853530310 /nfs/dbraw/zinc/53/03/10/853530310.db2.gz CXCHBTNLNIJWGL-UHFFFAOYSA-N 1 1 378.375 3.677 20 5 GHBDMO C[N@@H+](CCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)Cc1ccc(F)cc1 ZINC000519844316 853539458 /nfs/dbraw/zinc/53/94/58/853539458.db2.gz FPWJFSFGIQEBCF-UHFFFAOYSA-N 1 1 399.344 3.615 20 5 GHBDMO CCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000129554986 853636312 /nfs/dbraw/zinc/63/63/12/853636312.db2.gz ZMDKYMSRAKYBCA-OAHLLOKOSA-N 1 1 389.402 3.610 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(COc3ccccc3)CC2)c2c(c1)COCO2 ZINC000055081312 853643654 /nfs/dbraw/zinc/64/36/54/853643654.db2.gz AWEGNNBGEDDGEL-UHFFFAOYSA-N 1 1 384.432 3.752 20 5 GHBDMO O=C(C[NH+]1CCC(c2ccc(O)cc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000055102964 853645669 /nfs/dbraw/zinc/64/56/69/853645669.db2.gz YLOOYTPUMZILKC-UHFFFAOYSA-N 1 1 389.839 3.772 20 5 GHBDMO C[C@@H](NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570933368 853650677 /nfs/dbraw/zinc/65/06/77/853650677.db2.gz UGMXBDKWWXHFCD-IIBYNOLFSA-N 1 1 382.464 3.620 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCC1 ZINC000571136595 853762992 /nfs/dbraw/zinc/76/29/92/853762992.db2.gz ZSGFCTPXIYNVMS-UHFFFAOYSA-N 1 1 393.447 3.710 20 5 GHBDMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000571822682 854148396 /nfs/dbraw/zinc/14/83/96/854148396.db2.gz FLARFDOJDCVZPS-UHFFFAOYSA-N 1 1 396.491 3.616 20 5 GHBDMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000571822682 854148403 /nfs/dbraw/zinc/14/84/03/854148403.db2.gz FLARFDOJDCVZPS-UHFFFAOYSA-N 1 1 396.491 3.616 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000588821055 854508016 /nfs/dbraw/zinc/50/80/16/854508016.db2.gz MWLCMRAUJKKZLN-OAQYLSRUSA-N 1 1 383.496 3.612 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000589374679 854813891 /nfs/dbraw/zinc/81/38/91/854813891.db2.gz ZCLJESDPMWBOLM-INIZCTEOSA-N 1 1 382.464 3.895 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000589374679 854813898 /nfs/dbraw/zinc/81/38/98/854813898.db2.gz ZCLJESDPMWBOLM-INIZCTEOSA-N 1 1 382.464 3.895 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000589517508 854974508 /nfs/dbraw/zinc/97/45/08/854974508.db2.gz DHOROTXWKFGCHU-OAHLLOKOSA-N 1 1 386.370 3.936 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000589517508 854974516 /nfs/dbraw/zinc/97/45/16/854974516.db2.gz DHOROTXWKFGCHU-OAHLLOKOSA-N 1 1 386.370 3.936 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[N@@H+](CC4CCCCC4)CC3)n2)cc1 ZINC000054320014 855142025 /nfs/dbraw/zinc/14/20/25/855142025.db2.gz QFGBNMRRWVHKCW-UHFFFAOYSA-N 1 1 399.495 3.733 20 5 GHBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000590447568 855425100 /nfs/dbraw/zinc/42/51/00/855425100.db2.gz XVVPZUQGCSVRNN-YJBOKZPZSA-N 1 1 389.521 3.653 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@](C)(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000129571284 855511374 /nfs/dbraw/zinc/51/13/74/855511374.db2.gz BURMHSYTYYHPHB-NRFANRHFSA-N 1 1 386.448 3.529 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCCc3c(F)cc(F)cc31)OCCO2 ZINC000590654629 855535066 /nfs/dbraw/zinc/53/50/66/855535066.db2.gz ZCIAALUBNAXRLZ-MRXNPFEDSA-N 1 1 376.359 3.811 20 5 GHBDMO COc1cccc2c1C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000590660567 855536566 /nfs/dbraw/zinc/53/65/66/855536566.db2.gz MHFGIFQHJKNROT-UHFFFAOYSA-N 1 1 378.432 3.562 20 5 GHBDMO COc1cccc2c1C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000590660567 855536570 /nfs/dbraw/zinc/53/65/70/855536570.db2.gz MHFGIFQHJKNROT-UHFFFAOYSA-N 1 1 378.432 3.562 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000574845538 856051436 /nfs/dbraw/zinc/05/14/36/856051436.db2.gz HBNZCFUGGPSDRU-JKSUJKDBSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000574845538 856051442 /nfs/dbraw/zinc/05/14/42/856051442.db2.gz HBNZCFUGGPSDRU-JKSUJKDBSA-N 1 1 383.448 3.728 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H]1CC=CCC1 ZINC000485145078 856141963 /nfs/dbraw/zinc/14/19/63/856141963.db2.gz UVECYEBPDWAGHS-QGZVFWFLSA-N 1 1 375.469 3.537 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000760889956 856261434 /nfs/dbraw/zinc/26/14/34/856261434.db2.gz ZVHLLUCQSGATEC-QVDMIQRCSA-N 1 1 385.439 3.620 20 5 GHBDMO CNC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301437932 856360615 /nfs/dbraw/zinc/36/06/15/856360615.db2.gz SOZNPGDSKCJFCA-RDTXWAMCSA-N 1 1 388.493 3.511 20 5 GHBDMO CCOC(=O)Cc1ccc(NCc2cc(C)[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000591944606 856426291 /nfs/dbraw/zinc/42/62/91/856426291.db2.gz NYKHUCANNWOLPQ-UHFFFAOYSA-N 1 1 398.463 3.616 20 5 GHBDMO CCOC(=O)c1cc(NC2CCN(c3ccc(C)c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000301633784 856530088 /nfs/dbraw/zinc/53/00/88/856530088.db2.gz KGRCFUOGAXMMCD-UHFFFAOYSA-N 1 1 384.436 3.556 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000172788079 856605370 /nfs/dbraw/zinc/60/53/70/856605370.db2.gz BHBXSDPMLHGAHJ-MRXNPFEDSA-N 1 1 383.496 3.782 20 5 GHBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172832795 856631104 /nfs/dbraw/zinc/63/11/04/856631104.db2.gz NRIXTFUUSKBOLT-OAHLLOKOSA-N 1 1 388.493 3.665 20 5 GHBDMO COc1ccc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC000592130758 856669728 /nfs/dbraw/zinc/66/97/28/856669728.db2.gz MTTRCDCAKRKDNY-MXVIHJGJSA-N 1 1 384.476 3.952 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000159579378 862828520 /nfs/dbraw/zinc/82/85/20/862828520.db2.gz RVOGLEKXQHWZOX-HNNXBMFYSA-N 1 1 377.510 3.701 20 5 GHBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000427832790 856782673 /nfs/dbraw/zinc/78/26/73/856782673.db2.gz UZOQMAKMQQDMSI-VQIMIIECSA-N 1 1 397.475 3.901 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245405135 856825591 /nfs/dbraw/zinc/82/55/91/856825591.db2.gz RTOLIRSUXVXTST-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245405135 856825596 /nfs/dbraw/zinc/82/55/96/856825596.db2.gz RTOLIRSUXVXTST-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000245481531 856892121 /nfs/dbraw/zinc/89/21/21/856892121.db2.gz CMVJPEWHDDYIFG-LESCRADOSA-N 1 1 385.468 3.653 20 5 GHBDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000245493138 856901661 /nfs/dbraw/zinc/90/16/61/856901661.db2.gz KXDNXOYXRIUAGR-FMKPAKJESA-N 1 1 394.903 3.522 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(Cl)nc4ccccc34)C2)nc1 ZINC000129080684 857151635 /nfs/dbraw/zinc/15/16/35/857151635.db2.gz DMAGABVBVHTXOU-AWEZNQCLSA-N 1 1 383.839 3.878 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3c(C)cc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000485857554 857160501 /nfs/dbraw/zinc/16/05/01/857160501.db2.gz JRYOAEUUGYMZJB-UHFFFAOYSA-N 1 1 383.448 3.607 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000485877706 857179047 /nfs/dbraw/zinc/17/90/47/857179047.db2.gz AEFUYBQZEYESMM-VAMGGRTRSA-N 1 1 379.460 3.852 20 5 GHBDMO C[C@H](NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000429252997 857402608 /nfs/dbraw/zinc/40/26/08/857402608.db2.gz GZRXCNJTDQAIID-ZDUSSCGKSA-N 1 1 375.856 3.950 20 5 GHBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000055152303 857438104 /nfs/dbraw/zinc/43/81/04/857438104.db2.gz CMZHCDDIVMLXCT-OLZOCXBDSA-N 1 1 375.400 3.729 20 5 GHBDMO CC(C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000520976730 857470573 /nfs/dbraw/zinc/47/05/73/857470573.db2.gz WUOUNOIZMYRWCF-FQEVSTJZSA-N 1 1 385.439 3.547 20 5 GHBDMO Cc1c(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000438902316 857581985 /nfs/dbraw/zinc/58/19/85/857581985.db2.gz MUVQXDYLVQPFNY-KRWDZBQOSA-N 1 1 395.503 3.994 20 5 GHBDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000301764890 857606311 /nfs/dbraw/zinc/60/63/11/857606311.db2.gz CTRXEIKUBYXLNT-YWZLYKJASA-N 1 1 383.496 3.739 20 5 GHBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442886879 858208076 /nfs/dbraw/zinc/20/80/76/858208076.db2.gz VEMFHEVGJVNOLW-HXUWFJFHSA-N 1 1 378.432 3.704 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000567940933 863009393 /nfs/dbraw/zinc/00/93/93/863009393.db2.gz HUWAZWRARGCZBG-BEFAXECRSA-N 1 1 399.516 3.957 20 5 GHBDMO COCCC[N@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000066865612 858326109 /nfs/dbraw/zinc/32/61/09/858326109.db2.gz HVPYWCPINNSJNL-SFHVURJKSA-N 1 1 391.855 3.896 20 5 GHBDMO COCCC[N@@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000066865612 858326111 /nfs/dbraw/zinc/32/61/11/858326111.db2.gz HVPYWCPINNSJNL-SFHVURJKSA-N 1 1 391.855 3.896 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000595018481 858352295 /nfs/dbraw/zinc/35/22/95/858352295.db2.gz BFNWZFCBFPTINZ-LRDDRELGSA-N 1 1 389.839 3.713 20 5 GHBDMO CCc1cc(N2CCC(n3c[nH+]cc3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439131069 858451354 /nfs/dbraw/zinc/45/13/54/858451354.db2.gz LSRMQCOLPFTKSX-UHFFFAOYSA-N 1 1 392.463 3.961 20 5 GHBDMO COc1ccc(C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])c2ccccc2)cc1OC ZINC000595415133 858524635 /nfs/dbraw/zinc/52/46/35/858524635.db2.gz MGUUDNGLCXAPPN-QGZVFWFLSA-N 1 1 397.431 3.982 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](N4CCOCC4)CC3)o2)c1 ZINC000522013625 858526824 /nfs/dbraw/zinc/52/68/24/858526824.db2.gz KNYULZWVLPAIAP-SFHVURJKSA-N 1 1 385.464 3.542 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000575202003 858602181 /nfs/dbraw/zinc/60/21/81/858602181.db2.gz KHDSNZPICHFNLA-SXLOBPIMSA-N 1 1 389.496 3.637 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595764331 858662406 /nfs/dbraw/zinc/66/24/06/858662406.db2.gz GYZUTNVJOSSRIE-YCRPNKLZSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595764331 858662412 /nfs/dbraw/zinc/66/24/12/858662412.db2.gz GYZUTNVJOSSRIE-YCRPNKLZSA-N 1 1 383.448 3.594 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595790808 858689720 /nfs/dbraw/zinc/68/97/20/858689720.db2.gz YDDBSLQEQOMIPP-LPHOPBHVSA-N 1 1 375.469 3.513 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000593126956 858724693 /nfs/dbraw/zinc/72/46/93/858724693.db2.gz ZHQDWSNRGVKVJW-ACRUOGEOSA-N 1 1 395.459 3.918 20 5 GHBDMO O=[N+]([O-])c1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1C(F)(F)F ZINC000596188923 858803114 /nfs/dbraw/zinc/80/31/14/858803114.db2.gz DVOWJSHJPKVOLM-INIZCTEOSA-N 1 1 395.381 3.792 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000543206685 858883780 /nfs/dbraw/zinc/88/37/80/858883780.db2.gz ZRYWJJALBIJCHS-DLBZAZTESA-N 1 1 388.489 3.555 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000543206685 858883791 /nfs/dbraw/zinc/88/37/91/858883791.db2.gz ZRYWJJALBIJCHS-DLBZAZTESA-N 1 1 388.489 3.555 20 5 GHBDMO Cc1c(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)cccc1[N+](=O)[O-] ZINC000596613500 858968047 /nfs/dbraw/zinc/96/80/47/858968047.db2.gz GXBCSSDOPJDWRT-AUUYWEPGSA-N 1 1 394.431 3.915 20 5 GHBDMO Cc1c(-c2nc([C@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)cccc1[N+](=O)[O-] ZINC000596613500 858968051 /nfs/dbraw/zinc/96/80/51/858968051.db2.gz GXBCSSDOPJDWRT-AUUYWEPGSA-N 1 1 394.431 3.915 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494266014 881389957 /nfs/dbraw/zinc/38/99/57/881389957.db2.gz UIYDEQYGXGYZAS-QAPCUYQASA-N 1 1 395.793 3.588 20 5 GHBDMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249298698 859295636 /nfs/dbraw/zinc/29/56/36/859295636.db2.gz CJBLXXVZVXMYKR-DZGCQCFKSA-N 1 1 387.461 3.637 20 5 GHBDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249298698 859295645 /nfs/dbraw/zinc/29/56/45/859295645.db2.gz CJBLXXVZVXMYKR-DZGCQCFKSA-N 1 1 387.461 3.637 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000764279563 859347140 /nfs/dbraw/zinc/34/71/40/859347140.db2.gz LUASYRDFPGDZHX-SFHVURJKSA-N 1 1 391.855 3.551 20 5 GHBDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000764279563 859347144 /nfs/dbraw/zinc/34/71/44/859347144.db2.gz LUASYRDFPGDZHX-SFHVURJKSA-N 1 1 391.855 3.551 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000483416442 859350438 /nfs/dbraw/zinc/35/04/38/859350438.db2.gz LCNGCWOUKBDCHH-UHFFFAOYSA-N 1 1 390.440 3.572 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597231654 859365417 /nfs/dbraw/zinc/36/54/17/859365417.db2.gz PFTJSMJJCTXCFZ-HKUYNNGSSA-N 1 1 398.459 3.651 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601587852 859374991 /nfs/dbraw/zinc/37/49/91/859374991.db2.gz RZZCJIPCPPIUBD-KRWDZBQOSA-N 1 1 385.439 3.766 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597224316 859375998 /nfs/dbraw/zinc/37/59/98/859375998.db2.gz FMNJOHOGWHTHMH-PXNSSMCTSA-N 1 1 384.480 3.776 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597224315 859376103 /nfs/dbraw/zinc/37/61/03/859376103.db2.gz FMNJOHOGWHTHMH-FXAWDEMLSA-N 1 1 384.480 3.776 20 5 GHBDMO COc1cc(C[N@@H+](C)C2(CO)CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597256092 859381209 /nfs/dbraw/zinc/38/12/09/859381209.db2.gz SMTLRSFEGZRABM-UHFFFAOYSA-N 1 1 386.448 3.529 20 5 GHBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@H]1C ZINC000611216150 859653064 /nfs/dbraw/zinc/65/30/64/859653064.db2.gz DYWCMSHDDRNYJF-CQSZACIVSA-N 1 1 377.510 3.796 20 5 GHBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@H]1C ZINC000611216150 859653068 /nfs/dbraw/zinc/65/30/68/859653068.db2.gz DYWCMSHDDRNYJF-CQSZACIVSA-N 1 1 377.510 3.796 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+](CCCO)[C@@H]1CCCc3ccccc31)OCCO2 ZINC000611274527 859678235 /nfs/dbraw/zinc/67/82/35/859678235.db2.gz KONWPCWSFPMUJW-LJQANCHMSA-N 1 1 398.459 3.628 20 5 GHBDMO Cc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301980407 859706391 /nfs/dbraw/zinc/70/63/91/859706391.db2.gz ARORLINRPSOROC-MRXNPFEDSA-N 1 1 377.448 3.730 20 5 GHBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000611488058 859783550 /nfs/dbraw/zinc/78/35/50/859783550.db2.gz FFNOMEQGYJXNDG-MRXNPFEDSA-N 1 1 382.464 3.718 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611554405 859803271 /nfs/dbraw/zinc/80/32/71/859803271.db2.gz OOBPEHOTPJHMEJ-VXGBXAGGSA-N 1 1 389.374 3.595 20 5 GHBDMO COc1ccc(C[C@@H](C)N2CCC3(CCC[N@H+]3CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170343404 881465696 /nfs/dbraw/zinc/46/56/96/881465696.db2.gz YZVWHISOXPESNA-QGZVFWFLSA-N 1 1 387.524 3.875 20 5 GHBDMO C[C@H](OC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000132585814 859828588 /nfs/dbraw/zinc/82/85/88/859828588.db2.gz STQYWMHRXZXQQA-XOBRGWDASA-N 1 1 390.867 3.745 20 5 GHBDMO C[C@H](OC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000132585814 859828597 /nfs/dbraw/zinc/82/85/97/859828597.db2.gz STQYWMHRXZXQQA-XOBRGWDASA-N 1 1 390.867 3.745 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000593454858 859861294 /nfs/dbraw/zinc/86/12/94/859861294.db2.gz LNWWKIYQLGNGAZ-OAQYLSRUSA-N 1 1 378.432 3.628 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](c4c(F)cccc4F)C3)o2)cc1 ZINC000185333704 859908314 /nfs/dbraw/zinc/90/83/14/859908314.db2.gz NAXWFDQBMILKBD-CYBMUJFWSA-N 1 1 386.358 3.913 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](c4c(F)cccc4F)C3)o2)cc1 ZINC000185333704 859908320 /nfs/dbraw/zinc/90/83/20/859908320.db2.gz NAXWFDQBMILKBD-CYBMUJFWSA-N 1 1 386.358 3.913 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)co2)cc1 ZINC000123536728 859993741 /nfs/dbraw/zinc/99/37/41/859993741.db2.gz VYYXDYOOJJNXJN-MSOLQXFVSA-N 1 1 389.477 3.736 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)co2)cc1 ZINC000123536728 859993745 /nfs/dbraw/zinc/99/37/45/859993745.db2.gz VYYXDYOOJJNXJN-MSOLQXFVSA-N 1 1 389.477 3.736 20 5 GHBDMO COc1cc(C[NH+]2CCC(OC3CCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000092736073 860117202 /nfs/dbraw/zinc/11/72/02/860117202.db2.gz IWJCRDGMLZZNJL-UHFFFAOYSA-N 1 1 378.469 3.926 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092757627 860121591 /nfs/dbraw/zinc/12/15/91/860121591.db2.gz WEIXIXHXUJXISZ-IBGZPJMESA-N 1 1 377.448 3.682 20 5 GHBDMO COc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 ZINC000727586117 860143586 /nfs/dbraw/zinc/14/35/86/860143586.db2.gz OMCPFIUWLITKBE-UHFFFAOYSA-N 1 1 395.381 3.944 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[N@H+]1C ZINC000124086619 860226209 /nfs/dbraw/zinc/22/62/09/860226209.db2.gz NXMABBKAILUGCZ-CVEARBPZSA-N 1 1 383.448 3.942 20 5 GHBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000124127140 860238562 /nfs/dbraw/zinc/23/85/62/860238562.db2.gz RZWUSKPUYUPUOE-INIZCTEOSA-N 1 1 385.464 3.839 20 5 GHBDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093420726 860269537 /nfs/dbraw/zinc/26/95/37/860269537.db2.gz GXCZBHVAZWHARM-STQMWFEESA-N 1 1 382.507 3.577 20 5 GHBDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093420726 860269541 /nfs/dbraw/zinc/26/95/41/860269541.db2.gz GXCZBHVAZWHARM-STQMWFEESA-N 1 1 382.507 3.577 20 5 GHBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000093717859 860336255 /nfs/dbraw/zinc/33/62/55/860336255.db2.gz RHSFYMSOBGFMCC-UHFFFAOYSA-N 1 1 391.855 3.999 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000155006672 860359887 /nfs/dbraw/zinc/35/98/87/860359887.db2.gz VHJRTGFSMNHKHM-RDJZCZTQSA-N 1 1 398.463 3.507 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000155006672 860359895 /nfs/dbraw/zinc/35/98/95/860359895.db2.gz VHJRTGFSMNHKHM-RDJZCZTQSA-N 1 1 398.463 3.507 20 5 GHBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)OCc3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000108750567 860509543 /nfs/dbraw/zinc/50/95/43/860509543.db2.gz MVZKOBJGVJIDKB-KBPBESRZSA-N 1 1 390.461 3.623 20 5 GHBDMO Cc1c(CC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000125007374 860553219 /nfs/dbraw/zinc/55/32/19/860553219.db2.gz ASUITCILZTXOSD-KRWDZBQOSA-N 1 1 381.476 3.569 20 5 GHBDMO Cc1nn(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761290605 860599915 /nfs/dbraw/zinc/59/99/15/860599915.db2.gz LHRIEMHTOQNSRA-FUHWJXTLSA-N 1 1 385.512 3.797 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)c(F)c1 ZINC000391899556 860667478 /nfs/dbraw/zinc/66/74/78/860667478.db2.gz HBFDSRROCHUWSS-UHFFFAOYSA-N 1 1 381.201 3.721 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599078071 860783695 /nfs/dbraw/zinc/78/36/95/860783695.db2.gz GGEFAHCSFJNTBY-CYBMUJFWSA-N 1 1 398.301 3.599 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000603643456 860944171 /nfs/dbraw/zinc/94/41/71/860944171.db2.gz QVFHKWIMYGZYCM-KRWDZBQOSA-N 1 1 376.844 3.981 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000609193969 881614337 /nfs/dbraw/zinc/61/43/37/881614337.db2.gz QTSHXANYJUKGAR-UHFFFAOYSA-N 1 1 397.475 3.906 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000609193969 881614350 /nfs/dbraw/zinc/61/43/50/881614350.db2.gz QTSHXANYJUKGAR-UHFFFAOYSA-N 1 1 397.475 3.906 20 5 GHBDMO Cc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c2cccc([N+](=O)[O-])c2n1 ZINC000302016875 861173990 /nfs/dbraw/zinc/17/39/90/861173990.db2.gz MAVUSOYKKIYYFZ-FQEVSTJZSA-N 1 1 392.459 3.937 20 5 GHBDMO Cc1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c2cccc([N+](=O)[O-])c2n1 ZINC000302016876 861174097 /nfs/dbraw/zinc/17/40/97/861174097.db2.gz MAVUSOYKKIYYFZ-HXUWFJFHSA-N 1 1 392.459 3.937 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281743731 863343964 /nfs/dbraw/zinc/34/39/64/863343964.db2.gz BLHGZGNZJKDBAR-GFCCVEGCSA-N 1 1 395.385 3.925 20 5 GHBDMO C[C@@H]1SCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000522835200 863518628 /nfs/dbraw/zinc/51/86/28/863518628.db2.gz NOFADVNBOXNXLZ-QSFXBCCZSA-N 1 1 388.489 3.513 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H]1c1ccccc1 ZINC000444294476 863845155 /nfs/dbraw/zinc/84/51/55/863845155.db2.gz YOTQWGWNPXASRK-GOTSBHOMSA-N 1 1 397.478 3.857 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H]1c1ccccc1 ZINC000444294476 863845167 /nfs/dbraw/zinc/84/51/67/863845167.db2.gz YOTQWGWNPXASRK-GOTSBHOMSA-N 1 1 397.478 3.857 20 5 GHBDMO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000172904598 864105314 /nfs/dbraw/zinc/10/53/14/864105314.db2.gz RDTFUVWDDJVKLV-LJQANCHMSA-N 1 1 392.463 3.714 20 5 GHBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000172904598 864105320 /nfs/dbraw/zinc/10/53/20/864105320.db2.gz RDTFUVWDDJVKLV-LJQANCHMSA-N 1 1 392.463 3.714 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000734300758 864135323 /nfs/dbraw/zinc/13/53/23/864135323.db2.gz UUKJIHKVEAOWKB-KRWDZBQOSA-N 1 1 384.432 3.672 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792881498 881769639 /nfs/dbraw/zinc/76/96/39/881769639.db2.gz MWGVRNUXHZUESJ-HXUWFJFHSA-N 1 1 398.463 3.893 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000555007105 865328485 /nfs/dbraw/zinc/32/84/85/865328485.db2.gz QUHQUTVTRKESJR-IRXDYDNUSA-N 1 1 389.496 3.720 20 5 GHBDMO CCOc1cc(N2CCN(c3cc[nH+]c4ccsc43)CC2)ccc1[N+](=O)[O-] ZINC000480835221 865380021 /nfs/dbraw/zinc/38/00/21/865380021.db2.gz ATJSBAHTOWDQJA-UHFFFAOYSA-N 1 1 384.461 3.930 20 5 GHBDMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000608877183 865784384 /nfs/dbraw/zinc/78/43/84/865784384.db2.gz QQICTGTYUGGODJ-SJLPKXTDSA-N 1 1 382.464 3.596 20 5 GHBDMO CSc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000456295309 866357461 /nfs/dbraw/zinc/35/74/61/866357461.db2.gz ATFJXROFKAJGAK-INIZCTEOSA-N 1 1 399.516 3.911 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065302334 866403609 /nfs/dbraw/zinc/40/36/09/866403609.db2.gz RQOUOUADJUIAEJ-QGZVFWFLSA-N 1 1 398.463 3.637 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000475579621 866412784 /nfs/dbraw/zinc/41/27/84/866412784.db2.gz BKTQUABXRTYFDJ-LJQANCHMSA-N 1 1 398.459 3.744 20 5 GHBDMO COc1cc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1C ZINC000478680606 866488780 /nfs/dbraw/zinc/48/87/80/866488780.db2.gz ZKQAOJILCUZIEQ-UHFFFAOYSA-N 1 1 385.464 3.682 20 5 GHBDMO O=c1ccccn1Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000183507935 866776497 /nfs/dbraw/zinc/77/64/97/866776497.db2.gz FEJPETXJAUKEKS-UHFFFAOYSA-N 1 1 383.835 3.748 20 5 GHBDMO CC(C)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(F)cc1 ZINC000741790207 866792985 /nfs/dbraw/zinc/79/29/85/866792985.db2.gz BMEFWSPMDHDZKZ-FQEVSTJZSA-N 1 1 376.428 3.804 20 5 GHBDMO Cc1nn(CCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000523224253 866895311 /nfs/dbraw/zinc/89/53/11/866895311.db2.gz UKBCMEQEGLFVQS-OAHLLOKOSA-N 1 1 399.495 3.669 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000534543614 866983571 /nfs/dbraw/zinc/98/35/71/866983571.db2.gz JUXCZSXTOIHUKO-LJQANCHMSA-N 1 1 397.475 3.736 20 5 GHBDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742149726 867102866 /nfs/dbraw/zinc/10/28/66/867102866.db2.gz PHHZQCPLQPZPPR-AEFFLSMTSA-N 1 1 377.448 3.997 20 5 GHBDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742149729 867103618 /nfs/dbraw/zinc/10/36/18/867103618.db2.gz PHHZQCPLQPZPPR-WMZOPIPTSA-N 1 1 377.448 3.997 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cc(C)ccc1F ZINC000444741846 867163334 /nfs/dbraw/zinc/16/33/34/867163334.db2.gz ZMTHGQAHXJIWAJ-UHFFFAOYSA-N 1 1 375.400 3.512 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000444741519 867164506 /nfs/dbraw/zinc/16/45/06/867164506.db2.gz HOHJXFLFTVWCHK-CYBMUJFWSA-N 1 1 375.400 3.510 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000444741519 867164514 /nfs/dbraw/zinc/16/45/14/867164514.db2.gz HOHJXFLFTVWCHK-CYBMUJFWSA-N 1 1 375.400 3.510 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)nc2c1 ZINC000553333608 867199920 /nfs/dbraw/zinc/19/99/20/867199920.db2.gz DDRWTZGXJUMJBG-NRFANRHFSA-N 1 1 377.448 3.574 20 5 GHBDMO C[N@@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000553449614 867439533 /nfs/dbraw/zinc/43/95/33/867439533.db2.gz UVCUUYUWXQGHEF-ZFWWWQNUSA-N 1 1 391.403 3.735 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000553449614 867439537 /nfs/dbraw/zinc/43/95/37/867439537.db2.gz UVCUUYUWXQGHEF-ZFWWWQNUSA-N 1 1 391.403 3.735 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000534944674 867806777 /nfs/dbraw/zinc/80/67/77/867806777.db2.gz MUVBKWBNHOZTNR-HKUYNNGSSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000534944674 867806780 /nfs/dbraw/zinc/80/67/80/867806780.db2.gz MUVBKWBNHOZTNR-HKUYNNGSSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H]1c1cccs1 ZINC000534981644 867871842 /nfs/dbraw/zinc/87/18/42/867871842.db2.gz KKKVICKVNFOSFE-YJYMSZOUSA-N 1 1 398.488 3.951 20 5 GHBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1n[nH]cc1Br ZINC000535064582 868023325 /nfs/dbraw/zinc/02/33/25/868023325.db2.gz MBEXJTXUYNUUEK-SNVBAGLBSA-N 1 1 385.287 3.741 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743409217 868186329 /nfs/dbraw/zinc/18/63/29/868186329.db2.gz SNDYFJPSXCCDLW-IBGZPJMESA-N 1 1 393.491 3.746 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000442720046 868372650 /nfs/dbraw/zinc/37/26/50/868372650.db2.gz RCKLEZQHIQSQLL-CABCVRRESA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000442720046 868372657 /nfs/dbraw/zinc/37/26/57/868372657.db2.gz RCKLEZQHIQSQLL-CABCVRRESA-N 1 1 385.489 3.911 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000479882726 868676703 /nfs/dbraw/zinc/67/67/03/868676703.db2.gz DPYYDSFBTKQZHZ-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000479882726 868676709 /nfs/dbraw/zinc/67/67/09/868676709.db2.gz DPYYDSFBTKQZHZ-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO NC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)c([N+](=O)[O-])c1 ZINC000554195264 868892733 /nfs/dbraw/zinc/89/27/33/868892733.db2.gz ACRJPIHEGZLARD-UHFFFAOYSA-N 1 1 389.402 3.917 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)c([N+](=O)[O-])c1 ZINC000554195264 868892748 /nfs/dbraw/zinc/89/27/48/868892748.db2.gz ACRJPIHEGZLARD-UHFFFAOYSA-N 1 1 389.402 3.917 20 5 GHBDMO Cc1ccc(C[N@H+](CCc2ccccc2)CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000535585011 869019615 /nfs/dbraw/zinc/01/96/15/869019615.db2.gz XNGUXRSSOKALSB-UHFFFAOYSA-N 1 1 397.500 3.871 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCCOc1ccccc1 ZINC000029852190 869566975 /nfs/dbraw/zinc/56/69/75/869566975.db2.gz VOYKJCRAZZUEDZ-CQSZACIVSA-N 1 1 391.855 3.976 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539701575 869644251 /nfs/dbraw/zinc/64/42/51/869644251.db2.gz DCFUEBYMBVAXEM-RHSMWYFYSA-N 1 1 394.834 3.669 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539701575 869644261 /nfs/dbraw/zinc/64/42/61/869644261.db2.gz DCFUEBYMBVAXEM-RHSMWYFYSA-N 1 1 394.834 3.669 20 5 GHBDMO C[C@]1(O)CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000539818559 869846331 /nfs/dbraw/zinc/84/63/31/869846331.db2.gz WXBFTWBAOAEXEJ-QFIPXVFZSA-N 1 1 392.459 3.794 20 5 GHBDMO COC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539831279 869867653 /nfs/dbraw/zinc/86/76/53/869867653.db2.gz YFNSSQISXZTKGM-SFHVURJKSA-N 1 1 386.448 3.651 20 5 GHBDMO COc1ccc2ccccc2c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000539837645 869878582 /nfs/dbraw/zinc/87/85/82/869878582.db2.gz QMAGKWROUKSMJQ-MRXNPFEDSA-N 1 1 378.432 3.838 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000446485164 869918955 /nfs/dbraw/zinc/91/89/55/869918955.db2.gz MYXPTPLIAABZMW-UHFFFAOYSA-N 1 1 382.464 3.862 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000462753625 870002318 /nfs/dbraw/zinc/00/23/18/870002318.db2.gz LVBTYHZJXZJSLI-HKUYNNGSSA-N 1 1 375.513 3.934 20 5 GHBDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000746065831 870004328 /nfs/dbraw/zinc/00/43/28/870004328.db2.gz LDHFZABMZCFOLB-UHFFFAOYSA-N 1 1 387.411 3.800 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)CC2 ZINC000446713157 870218127 /nfs/dbraw/zinc/21/81/27/870218127.db2.gz VXDUVGLYYVLOSM-INIZCTEOSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)CC2 ZINC000446713157 870218138 /nfs/dbraw/zinc/21/81/38/870218138.db2.gz VXDUVGLYYVLOSM-INIZCTEOSA-N 1 1 397.258 3.700 20 5 GHBDMO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000538733251 870470678 /nfs/dbraw/zinc/47/06/78/870470678.db2.gz CPYVUQYEJZJERY-UHFFFAOYSA-N 1 1 378.375 3.747 20 5 GHBDMO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000538733251 870470683 /nfs/dbraw/zinc/47/06/83/870470683.db2.gz CPYVUQYEJZJERY-UHFFFAOYSA-N 1 1 378.375 3.747 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000538797981 870629094 /nfs/dbraw/zinc/62/90/94/870629094.db2.gz HSCYVJZMZZIYNX-HRAATJIYSA-N 1 1 392.459 3.650 20 5 GHBDMO Cn1c2cc(F)ccc2[nH+]c1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000766519591 870964852 /nfs/dbraw/zinc/96/48/52/870964852.db2.gz JJOGPJWDHJSTKM-UHFFFAOYSA-N 1 1 379.189 3.995 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2CCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428471691 871085883 /nfs/dbraw/zinc/08/58/83/871085883.db2.gz CAIADJLLFKFIGL-SFHVURJKSA-N 1 1 386.448 3.529 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169011660 871096591 /nfs/dbraw/zinc/09/65/91/871096591.db2.gz LZBWLLUSAKFQOB-ZWOKBUDYSA-N 1 1 381.517 3.545 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000463198285 871112608 /nfs/dbraw/zinc/11/26/08/871112608.db2.gz DENSMTACCNRUMX-PBYMTVQHSA-N 1 1 380.460 3.894 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000069690134 871392541 /nfs/dbraw/zinc/39/25/41/871392541.db2.gz BBUYRRWYEDMMRK-GOSISDBHSA-N 1 1 393.447 3.527 20 5 GHBDMO CC(C)[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC001169307320 871403763 /nfs/dbraw/zinc/40/37/63/871403763.db2.gz TVKPVRSWDOUZFX-GOSISDBHSA-N 1 1 377.485 3.715 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC001169307320 871403772 /nfs/dbraw/zinc/40/37/72/871403772.db2.gz TVKPVRSWDOUZFX-GOSISDBHSA-N 1 1 377.485 3.715 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447402280 871539945 /nfs/dbraw/zinc/53/99/45/871539945.db2.gz HRHDZKSDGNRFBZ-MRXNPFEDSA-N 1 1 392.459 3.862 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447402280 871539952 /nfs/dbraw/zinc/53/99/52/871539952.db2.gz HRHDZKSDGNRFBZ-MRXNPFEDSA-N 1 1 392.459 3.862 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnn(Cc4ccccc4Cl)c3)nc2c1 ZINC000618618684 871771997 /nfs/dbraw/zinc/77/19/97/871771997.db2.gz MULBJKBLBSUAKK-UHFFFAOYSA-N 1 1 396.838 3.659 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000540772676 872125756 /nfs/dbraw/zinc/12/57/56/872125756.db2.gz JEIODXOAHVKCLW-HNNXBMFYSA-N 1 1 379.526 3.901 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC001195259418 872289149 /nfs/dbraw/zinc/28/91/49/872289149.db2.gz XEFAAMYMMSEGLG-SFHVURJKSA-N 1 1 389.402 3.909 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552277516 872376896 /nfs/dbraw/zinc/37/68/96/872376896.db2.gz WZEDMZKGJAKOQB-PMACEKPBSA-N 1 1 385.512 3.518 20 5 GHBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCc2ccc(F)cc21 ZINC001195704184 872595522 /nfs/dbraw/zinc/59/55/22/872595522.db2.gz JEWCBTWNUWYSRJ-CYBMUJFWSA-N 1 1 389.402 3.863 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000478336676 872857708 /nfs/dbraw/zinc/85/77/08/872857708.db2.gz FJTGBWKQHQIKGA-OAHLLOKOSA-N 1 1 377.460 3.851 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182855891 872865586 /nfs/dbraw/zinc/86/55/86/872865586.db2.gz WYIHVKLBZITOHB-CQSZACIVSA-N 1 1 384.358 3.526 20 5 GHBDMO COc1cccc([C@H](C)[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000460359717 872955894 /nfs/dbraw/zinc/95/58/94/872955894.db2.gz BKMPCYARMACMJC-HNNXBMFYSA-N 1 1 395.463 3.753 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCSc4ccccc4)CC3)nc2c1 ZINC000460359083 872956213 /nfs/dbraw/zinc/95/62/13/872956213.db2.gz ZEPSVDXLPBHIBH-UHFFFAOYSA-N 1 1 397.504 3.776 20 5 GHBDMO COCC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000767939962 872972569 /nfs/dbraw/zinc/97/25/69/872972569.db2.gz KNZZLBBOVTXOCB-KGLIPLIRSA-N 1 1 383.876 3.714 20 5 GHBDMO COCC[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000767939962 872972578 /nfs/dbraw/zinc/97/25/78/872972578.db2.gz KNZZLBBOVTXOCB-KGLIPLIRSA-N 1 1 383.876 3.714 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000619784392 872998289 /nfs/dbraw/zinc/99/82/89/872998289.db2.gz KSQFITHTABPVBO-HXUWFJFHSA-N 1 1 387.411 3.503 20 5 GHBDMO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746494097 873077627 /nfs/dbraw/zinc/07/76/27/873077627.db2.gz OUGVLQDASMYPPU-UHFFFAOYSA-N 1 1 391.475 3.720 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000475715527 882701580 /nfs/dbraw/zinc/70/15/80/882701580.db2.gz DGOJGVVKXIRRIS-IBGZPJMESA-N 1 1 398.459 3.916 20 5 GHBDMO COc1ccc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)CCCO)cc1 ZINC001196684554 873295012 /nfs/dbraw/zinc/29/50/12/873295012.db2.gz NOIYAZVVZHLPIS-HNNXBMFYSA-N 1 1 398.463 3.643 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)CCCO)cc1 ZINC001196684554 873295017 /nfs/dbraw/zinc/29/50/17/873295017.db2.gz NOIYAZVVZHLPIS-HNNXBMFYSA-N 1 1 398.463 3.643 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001196899195 873465872 /nfs/dbraw/zinc/46/58/72/873465872.db2.gz NWJYFGPRGGMHMW-OPNNQBFTSA-N 1 1 395.459 3.666 20 5 GHBDMO CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)nc1C ZINC001197403106 873771364 /nfs/dbraw/zinc/77/13/64/873771364.db2.gz NCICBJRZQVQHCI-LBPRGKRZSA-N 1 1 381.479 3.587 20 5 GHBDMO CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)nc1C ZINC001197403106 873771371 /nfs/dbraw/zinc/77/13/71/873771371.db2.gz NCICBJRZQVQHCI-LBPRGKRZSA-N 1 1 381.479 3.587 20 5 GHBDMO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CN1c1ccccc1Cl ZINC000541540530 873797502 /nfs/dbraw/zinc/79/75/02/873797502.db2.gz YUXHCEVIKRLKOF-LBPRGKRZSA-N 1 1 380.231 3.797 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001197544397 873888654 /nfs/dbraw/zinc/88/86/54/873888654.db2.gz XIYVYPYLWQYVDG-MRXNPFEDSA-N 1 1 399.495 3.958 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001197544397 873888670 /nfs/dbraw/zinc/88/86/70/873888670.db2.gz XIYVYPYLWQYVDG-MRXNPFEDSA-N 1 1 399.495 3.958 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001197544397 873888686 /nfs/dbraw/zinc/88/86/86/873888686.db2.gz XIYVYPYLWQYVDG-MRXNPFEDSA-N 1 1 399.495 3.958 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001197815383 874076242 /nfs/dbraw/zinc/07/62/42/874076242.db2.gz KVPIRYBVSFSAQD-HXUWFJFHSA-N 1 1 382.464 3.969 20 5 GHBDMO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000541784470 874257259 /nfs/dbraw/zinc/25/72/59/874257259.db2.gz NKYHMKAOSIJXDB-HNNXBMFYSA-N 1 1 386.427 3.862 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)nc2c1 ZINC000769773373 874269983 /nfs/dbraw/zinc/26/99/83/874269983.db2.gz XXFGFQRLVWVNJO-DNVCBOLYSA-N 1 1 384.411 3.698 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)nc2c1 ZINC000769773373 874269994 /nfs/dbraw/zinc/26/99/94/874269994.db2.gz XXFGFQRLVWVNJO-DNVCBOLYSA-N 1 1 384.411 3.698 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC ZINC000537648019 882816672 /nfs/dbraw/zinc/81/66/72/882816672.db2.gz LJUICRAGOYSNRS-MRXNPFEDSA-N 1 1 392.839 3.919 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC ZINC000537648019 882816688 /nfs/dbraw/zinc/81/66/88/882816688.db2.gz LJUICRAGOYSNRS-MRXNPFEDSA-N 1 1 392.839 3.919 20 5 GHBDMO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464781965 874482657 /nfs/dbraw/zinc/48/26/57/874482657.db2.gz UORBZNREIFNLGR-CGZBRXJRSA-N 1 1 389.496 3.521 20 5 GHBDMO Cc1c(C[N@H+]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] ZINC001198555454 874501961 /nfs/dbraw/zinc/50/19/61/874501961.db2.gz ZALBELGMMZYSKU-HXUWFJFHSA-N 1 1 375.469 3.879 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC001198597626 874508777 /nfs/dbraw/zinc/50/87/77/874508777.db2.gz VQSNCJIPOUQRSQ-CRAIPNDOSA-N 1 1 380.366 3.649 20 5 GHBDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000464793253 874523930 /nfs/dbraw/zinc/52/39/30/874523930.db2.gz ZYYMXOLXUSGDDU-TZIWHRDSSA-N 1 1 390.455 3.673 20 5 GHBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CCN(c2ccccn2)CC1 ZINC000464810088 874532069 /nfs/dbraw/zinc/53/20/69/874532069.db2.gz OLVRVPJGTJFSLF-UHFFFAOYSA-N 1 1 398.507 3.997 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1Br ZINC000770374965 874616237 /nfs/dbraw/zinc/61/62/37/874616237.db2.gz OYSRHYGPHPMVKF-WMLDXEAASA-N 1 1 394.313 3.806 20 5 GHBDMO Cc1cccc(C2=CC[N@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 ZINC000770660204 874807468 /nfs/dbraw/zinc/80/74/68/874807468.db2.gz BZIHAIRKQBZQBM-UHFFFAOYSA-N 1 1 375.432 3.909 20 5 GHBDMO Cc1cccc(C2=CC[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 ZINC000770660204 874807483 /nfs/dbraw/zinc/80/74/83/874807483.db2.gz BZIHAIRKQBZQBM-UHFFFAOYSA-N 1 1 375.432 3.909 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000464935754 874818107 /nfs/dbraw/zinc/81/81/07/874818107.db2.gz NCVOZVZPHZWNNT-KRWDZBQOSA-N 1 1 385.439 3.718 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000449459775 874885812 /nfs/dbraw/zinc/88/58/12/874885812.db2.gz LWFCTXPEMMCDRZ-KRWRZEAGSA-N 1 1 396.491 3.628 20 5 GHBDMO CC(=O)NCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCSCC1 ZINC000549849972 875621582 /nfs/dbraw/zinc/62/15/82/875621582.db2.gz GGJPFFZEYQBNTG-UHFFFAOYSA-N 1 1 379.526 3.552 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000761659355 882975651 /nfs/dbraw/zinc/97/56/51/882975651.db2.gz WVGBELFEMOBWNB-INIZCTEOSA-N 1 1 381.354 3.612 20 5 GHBDMO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278147 876162989 /nfs/dbraw/zinc/16/29/89/876162989.db2.gz RQOPFXXJCOZKHD-FOIQADDNSA-N 1 1 389.883 3.660 20 5 GHBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312694776 876204325 /nfs/dbraw/zinc/20/43/25/876204325.db2.gz NBAWPFIFVREKRS-HOCLYGCPSA-N 1 1 387.867 3.889 20 5 GHBDMO Cn1cc[nH+]c1CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450321898 876283307 /nfs/dbraw/zinc/28/33/07/876283307.db2.gz VWLDBDSFHHFHRR-UHFFFAOYSA-N 1 1 383.477 3.911 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000492419138 876774909 /nfs/dbraw/zinc/77/49/09/876774909.db2.gz BXFPXIPCDZHZOV-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO COC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000850362188 876850172 /nfs/dbraw/zinc/85/01/72/876850172.db2.gz JFCGZYXOLPAKOE-INIZCTEOSA-N 1 1 395.253 3.843 20 5 GHBDMO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000450814765 876934453 /nfs/dbraw/zinc/93/44/53/876934453.db2.gz WDJCNICGNMJUDP-AWEZNQCLSA-N 1 1 383.477 3.558 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(Nc3ncc([N+](=O)[O-])cc3Cl)c2)C[C@H](C)O1 ZINC000609964478 877224220 /nfs/dbraw/zinc/22/42/20/877224220.db2.gz LVFREIIHVORWMG-BETUJISGSA-N 1 1 376.844 3.996 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(Nc3ncc([N+](=O)[O-])cc3Cl)c2)C[C@H](C)O1 ZINC000609964478 877224238 /nfs/dbraw/zinc/22/42/38/877224238.db2.gz LVFREIIHVORWMG-BETUJISGSA-N 1 1 376.844 3.996 20 5 GHBDMO O=C(OCc1csc([N+](=O)[O-])c1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000787225919 877279604 /nfs/dbraw/zinc/27/96/04/877279604.db2.gz LTYBRAWEMMKKIG-UHFFFAOYSA-N 1 1 380.332 3.532 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492660563 877317596 /nfs/dbraw/zinc/31/75/96/877317596.db2.gz YEOBJTTUIKHINY-SFHVURJKSA-N 1 1 397.475 3.636 20 5 GHBDMO CCCCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000492719118 877418895 /nfs/dbraw/zinc/41/88/95/877418895.db2.gz DFKZXUPFICGEAT-UHFFFAOYSA-N 1 1 377.485 3.654 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610127874 877441326 /nfs/dbraw/zinc/44/13/26/877441326.db2.gz ORMGIRBJEBINCS-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO COC(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC001183084890 912239465 /nfs/dbraw/zinc/23/94/65/912239465.db2.gz SSFMVYABUFCEAS-UHFFFAOYSA-N 1 1 383.231 3.907 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@](C)(COC)C2)cc1OC ZINC000451203003 877571131 /nfs/dbraw/zinc/57/11/31/877571131.db2.gz OSGYJIIKYAUUQI-YWZLYKJASA-N 1 1 380.485 3.887 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH+]1CCC(CF)CC1 ZINC000451395585 877912213 /nfs/dbraw/zinc/91/22/13/877912213.db2.gz QRKKUMRTHLSSHF-GFCCVEGCSA-N 1 1 392.456 3.727 20 5 GHBDMO CN(CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)C(=O)OC(C)(C)C ZINC000788483404 878095452 /nfs/dbraw/zinc/09/54/52/878095452.db2.gz QPMSVYGHTXBSDP-UHFFFAOYSA-N 1 1 381.448 3.813 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000451546368 878120386 /nfs/dbraw/zinc/12/03/86/878120386.db2.gz JDGQMQCIDSPGAZ-HOTGVXAUSA-N 1 1 399.413 3.575 20 5 GHBDMO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550829 878129862 /nfs/dbraw/zinc/12/98/62/878129862.db2.gz SEJVRGVFWWIBTO-WBVHZDCISA-N 1 1 399.516 3.809 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000776586213 878231358 /nfs/dbraw/zinc/23/13/58/878231358.db2.gz KTGRXOIUYSGXKI-MDNUFGMLSA-N 1 1 395.503 3.615 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)cc1 ZINC000852476261 878362640 /nfs/dbraw/zinc/36/26/40/878362640.db2.gz JXXXLWRUZMLFAV-GOSISDBHSA-N 1 1 381.457 3.810 20 5 GHBDMO Cc1cc(Br)cc2c1C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776606168 878478492 /nfs/dbraw/zinc/47/84/92/878478492.db2.gz SMJDLXGDAOGRRQ-SFHVURJKSA-N 1 1 391.265 3.757 20 5 GHBDMO Cc1cc(Br)cc2c1C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776606168 878478500 /nfs/dbraw/zinc/47/85/00/878478500.db2.gz SMJDLXGDAOGRRQ-SFHVURJKSA-N 1 1 391.265 3.757 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451839476 878553361 /nfs/dbraw/zinc/55/33/61/878553361.db2.gz CNVUGQQNRKGBDY-IBGZPJMESA-N 1 1 385.420 3.752 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000538057029 878772945 /nfs/dbraw/zinc/77/29/45/878772945.db2.gz VRDNVDZHJQXTIO-UHFFFAOYSA-N 1 1 390.528 3.884 20 5 GHBDMO COc1cccc(C2CC[NH+](Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)CC2)c1 ZINC000853492997 879059775 /nfs/dbraw/zinc/05/97/75/879059775.db2.gz HFLSKOJXYRYDJG-UHFFFAOYSA-N 1 1 393.447 3.699 20 5 GHBDMO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761506903 879184829 /nfs/dbraw/zinc/18/48/29/879184829.db2.gz PCLYHXVGIOXNBM-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000248872533 912506373 /nfs/dbraw/zinc/50/63/73/912506373.db2.gz IGIDIJQEQVPYSV-ORYQWCPZSA-N 1 1 375.513 3.699 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000248872533 912506423 /nfs/dbraw/zinc/50/64/23/912506423.db2.gz IGIDIJQEQVPYSV-ORYQWCPZSA-N 1 1 375.513 3.699 20 5 GHBDMO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000248872533 912506433 /nfs/dbraw/zinc/50/64/33/912506433.db2.gz IGIDIJQEQVPYSV-ORYQWCPZSA-N 1 1 375.513 3.699 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](Cc4cccs4)CC3)co2)cc1 ZINC000152935016 879945995 /nfs/dbraw/zinc/94/59/95/879945995.db2.gz BKAQXFVAMWNEQJ-UHFFFAOYSA-N 1 1 384.461 3.629 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1F ZINC000790968972 880111903 /nfs/dbraw/zinc/11/19/03/880111903.db2.gz QXDNVVGHAHSJNC-IBGZPJMESA-N 1 1 385.439 3.683 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]C[C@H](O)COc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542478377 880494903 /nfs/dbraw/zinc/49/49/03/880494903.db2.gz SZEXBSPSKPXVRF-AVRDEDQJSA-N 1 1 396.443 3.869 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[NH+]3CCC(Cc4cccnc4)CC3)c2c(Cl)c1 ZINC000774638466 912583233 /nfs/dbraw/zinc/58/32/33/912583233.db2.gz HJJWPTJRYZESCS-UHFFFAOYSA-N 1 1 385.855 3.905 20 5 GHBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(C)cc1Br ZINC000453311738 880777713 /nfs/dbraw/zinc/77/77/13/880777713.db2.gz SUKWDVVLDQJYGI-NSHDSACASA-N 1 1 399.314 3.751 20 5 GHBDMO CNc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000532183827 881305085 /nfs/dbraw/zinc/30/50/85/881305085.db2.gz LBBMKFYCDJNLOC-MRXNPFEDSA-N 1 1 388.512 3.753 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000609489188 883251140 /nfs/dbraw/zinc/25/11/40/883251140.db2.gz AQDYDUAEBFWSOJ-OAHLLOKOSA-N 1 1 388.512 3.800 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000609546298 883338437 /nfs/dbraw/zinc/33/84/37/883338437.db2.gz ADPAEMXSCRZHOT-HOTGVXAUSA-N 1 1 376.501 3.856 20 5 GHBDMO CC(=O)c1ccc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000804812428 883374232 /nfs/dbraw/zinc/37/42/32/883374232.db2.gz NZYWPRAGMXOAMH-JOCHJYFZSA-N 1 1 379.460 3.900 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(Nc4ccccn4)CC3)co2)cc1 ZINC000551173581 883385230 /nfs/dbraw/zinc/38/52/30/883385230.db2.gz GCWXHUHHCHHVEC-UHFFFAOYSA-N 1 1 379.420 3.721 20 5 GHBDMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000477012533 883554370 /nfs/dbraw/zinc/55/43/70/883554370.db2.gz SMBSURQDAURHAU-OLZOCXBDSA-N 1 1 375.856 3.971 20 5 GHBDMO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000494802837 883800534 /nfs/dbraw/zinc/80/05/34/883800534.db2.gz ZNVRPPHBLFSMDZ-IBGZPJMESA-N 1 1 389.883 3.720 20 5 GHBDMO CC(C)c1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000428539254 883834107 /nfs/dbraw/zinc/83/41/07/883834107.db2.gz PPSSEPNMNVMGJM-SFHVURJKSA-N 1 1 383.448 3.537 20 5 GHBDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000026466196 884259457 /nfs/dbraw/zinc/25/94/57/884259457.db2.gz ZTOAJNUQBARTBU-NEPJUHHUSA-N 1 1 384.274 3.806 20 5 GHBDMO CC(C)[C@@H](CO)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000173413466 885168614 /nfs/dbraw/zinc/16/86/14/885168614.db2.gz MYXITPHKLCGVTJ-LJQANCHMSA-N 1 1 396.447 3.664 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000919263235 885215581 /nfs/dbraw/zinc/21/55/81/885215581.db2.gz BESAZYWWTNNTND-IYBDPMFKSA-N 1 1 384.432 3.561 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000919263235 885215598 /nfs/dbraw/zinc/21/55/98/885215598.db2.gz BESAZYWWTNNTND-IYBDPMFKSA-N 1 1 384.432 3.561 20 5 GHBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000537564396 885424140 /nfs/dbraw/zinc/42/41/40/885424140.db2.gz UPOYFGHBSXEUFF-QGZVFWFLSA-N 1 1 393.447 3.638 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000532484382 885811210 /nfs/dbraw/zinc/81/12/10/885811210.db2.gz SSNGHOCNZOONQM-SFHVURJKSA-N 1 1 395.459 3.990 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000495489114 885917664 /nfs/dbraw/zinc/91/76/64/885917664.db2.gz BWTRCNSAPSVJQZ-GOEBONIOSA-N 1 1 377.510 3.652 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000532574478 886145765 /nfs/dbraw/zinc/14/57/65/886145765.db2.gz JWAUQCSVUZDCFL-ZOBUZTSGSA-N 1 1 383.448 3.808 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c2ncccc12 ZINC000301075947 886445214 /nfs/dbraw/zinc/44/52/14/886445214.db2.gz LOQJCBYGRQGFRI-UHFFFAOYSA-N 1 1 380.423 3.994 20 5 GHBDMO Cn1cc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000556889124 886509728 /nfs/dbraw/zinc/50/97/28/886509728.db2.gz CGYISZDJXHWCRO-HXUWFJFHSA-N 1 1 377.448 3.973 20 5 GHBDMO Cn1cc(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000556889124 886509743 /nfs/dbraw/zinc/50/97/43/886509743.db2.gz CGYISZDJXHWCRO-HXUWFJFHSA-N 1 1 377.448 3.973 20 5 GHBDMO CCC[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H]1CCCc2cccnc21 ZINC000794644054 887672070 /nfs/dbraw/zinc/67/20/70/887672070.db2.gz XNXXREFOZFBLLM-HNNXBMFYSA-N 1 1 382.420 3.645 20 5 GHBDMO CCC[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H]1CCCc2cccnc21 ZINC000794644054 887672092 /nfs/dbraw/zinc/67/20/92/887672092.db2.gz XNXXREFOZFBLLM-HNNXBMFYSA-N 1 1 382.420 3.645 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCOc1ccc(F)cc1 ZINC000015101651 887736031 /nfs/dbraw/zinc/73/60/31/887736031.db2.gz ROOSQUVHBNLQCC-GFCCVEGCSA-N 1 1 395.818 3.725 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000015101651 887736043 /nfs/dbraw/zinc/73/60/43/887736043.db2.gz ROOSQUVHBNLQCC-GFCCVEGCSA-N 1 1 395.818 3.725 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000809770608 887758312 /nfs/dbraw/zinc/75/83/12/887758312.db2.gz CNPNJNGHXPHWAT-ZZVGLVNZSA-N 1 1 375.469 3.986 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000809995676 888051715 /nfs/dbraw/zinc/05/17/15/888051715.db2.gz UJLQETWFEZVHFI-KRWDZBQOSA-N 1 1 376.840 3.918 20 5 GHBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000809998080 888066744 /nfs/dbraw/zinc/06/67/44/888066744.db2.gz LSSYVZLQOHKQCK-UHFFFAOYSA-N 1 1 396.278 3.792 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000763303217 888485361 /nfs/dbraw/zinc/48/53/61/888485361.db2.gz XKQSDQQUCVRNSD-SJORKVTESA-N 1 1 392.431 3.605 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000763303217 888485370 /nfs/dbraw/zinc/48/53/70/888485370.db2.gz XKQSDQQUCVRNSD-SJORKVTESA-N 1 1 392.431 3.605 20 5 GHBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000454330942 888868346 /nfs/dbraw/zinc/86/83/46/888868346.db2.gz XKCRKWPORDKBJK-OAHLLOKOSA-N 1 1 386.427 3.720 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000533019806 889566839 /nfs/dbraw/zinc/56/68/39/889566839.db2.gz BTVNLTFZOQJVSB-NRFANRHFSA-N 1 1 399.491 3.751 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)nc1 ZINC000533057923 889642754 /nfs/dbraw/zinc/64/27/54/889642754.db2.gz UMLDDESVBHQFTA-OAHLLOKOSA-N 1 1 399.838 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)nc1 ZINC000533057923 889642757 /nfs/dbraw/zinc/64/27/57/889642757.db2.gz UMLDDESVBHQFTA-OAHLLOKOSA-N 1 1 399.838 3.985 20 5 GHBDMO COc1ccc2c(c1)CCC[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000533409727 890481427 /nfs/dbraw/zinc/48/14/27/890481427.db2.gz XOIBEGISUFREPI-OAHLLOKOSA-N 1 1 383.448 3.687 20 5 GHBDMO COc1ccc2c(c1)CCC[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000533409727 890481441 /nfs/dbraw/zinc/48/14/41/890481441.db2.gz XOIBEGISUFREPI-OAHLLOKOSA-N 1 1 383.448 3.687 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000812770258 890944985 /nfs/dbraw/zinc/94/49/85/890944985.db2.gz IVKIAFRZPPVYRJ-UHFFFAOYSA-N 1 1 375.469 3.879 20 5 GHBDMO O=C(Cc1c(F)cccc1Cl)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170096 891326567 /nfs/dbraw/zinc/32/65/67/891326567.db2.gz GPIUXLUDMLCKNW-HNNXBMFYSA-N 1 1 392.814 3.748 20 5 GHBDMO O=C(Cc1c(F)cccc1Cl)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170096 891326583 /nfs/dbraw/zinc/32/65/83/891326583.db2.gz GPIUXLUDMLCKNW-HNNXBMFYSA-N 1 1 392.814 3.748 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc2ncccc2c1 ZINC000813171941 891330055 /nfs/dbraw/zinc/33/00/55/891330055.db2.gz DQYRJAXUBTWUKE-IBGZPJMESA-N 1 1 377.400 3.574 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc2ncccc2c1 ZINC000813171941 891330073 /nfs/dbraw/zinc/33/00/73/891330073.db2.gz DQYRJAXUBTWUKE-IBGZPJMESA-N 1 1 377.400 3.574 20 5 GHBDMO Cc1ccc2cc(C(=O)O[C@H]3CC[N@H+](Cc4cccc([N+](=O)[O-])c4)C3)ccc2n1 ZINC000813172670 891331283 /nfs/dbraw/zinc/33/12/83/891331283.db2.gz QBKQLTLFAHZHBR-FQEVSTJZSA-N 1 1 391.427 3.883 20 5 GHBDMO Cc1ccc2cc(C(=O)O[C@H]3CC[N@@H+](Cc4cccc([N+](=O)[O-])c4)C3)ccc2n1 ZINC000813172670 891331301 /nfs/dbraw/zinc/33/13/01/891331301.db2.gz QBKQLTLFAHZHBR-FQEVSTJZSA-N 1 1 391.427 3.883 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000813173924 891334511 /nfs/dbraw/zinc/33/45/11/891334511.db2.gz MJYNDQPTXXPSLL-YCPHGPKFSA-N 1 1 386.370 3.691 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000813173924 891334525 /nfs/dbraw/zinc/33/45/25/891334525.db2.gz MJYNDQPTXXPSLL-YCPHGPKFSA-N 1 1 386.370 3.691 20 5 GHBDMO O=C(CCc1ccc(F)cc1F)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172359 891334551 /nfs/dbraw/zinc/33/45/51/891334551.db2.gz KDLPYMSKVLGOQF-SFHVURJKSA-N 1 1 390.386 3.623 20 5 GHBDMO O=C(CCc1ccc(F)cc1F)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172359 891334568 /nfs/dbraw/zinc/33/45/68/891334568.db2.gz KDLPYMSKVLGOQF-SFHVURJKSA-N 1 1 390.386 3.623 20 5 GHBDMO C[N@@H+](CCOc1ccccc1Cl)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026337009 891401983 /nfs/dbraw/zinc/40/19/83/891401983.db2.gz CBAYBQZYGMNPRE-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000813458587 891654190 /nfs/dbraw/zinc/65/41/90/891654190.db2.gz DDYTYRAVUFTLPB-UHFFFAOYSA-N 1 1 386.279 3.992 20 5 GHBDMO O=[N+]([O-])c1c(F)cc(F)cc1N[C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001170719326 892175549 /nfs/dbraw/zinc/17/55/49/892175549.db2.gz ZXPFMDFYOREQAR-QAQDUYKDSA-N 1 1 394.466 3.624 20 5 GHBDMO Cc1c(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)cccc1[N+](=O)[O-] ZINC000814675007 893051993 /nfs/dbraw/zinc/05/19/93/893051993.db2.gz HYEBLXNGKNFERY-HDICACEKSA-N 1 1 389.496 3.982 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](O)COCc1ccccc1 ZINC000563519711 893859410 /nfs/dbraw/zinc/85/94/10/893859410.db2.gz ZRALPHVZNDTTQB-KRWDZBQOSA-N 1 1 398.381 3.623 20 5 GHBDMO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459630367 893931243 /nfs/dbraw/zinc/93/12/43/893931243.db2.gz GGAYKMMCQZVHET-NXEZZACHSA-N 1 1 394.884 3.871 20 5 GHBDMO COC1CCC([N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878109028 894024318 /nfs/dbraw/zinc/02/43/18/894024318.db2.gz MFUXFVNSVOWPGQ-UHFFFAOYSA-N 1 1 380.832 3.688 20 5 GHBDMO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1Br)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615007 894047783 /nfs/dbraw/zinc/04/77/83/894047783.db2.gz GICXWWNIUKMQLX-BZNIZROVSA-N 1 1 394.269 3.714 20 5 GHBDMO C[C@H]([NH2+][C@@H](CCO)c1ccccc1Br)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615009 894047907 /nfs/dbraw/zinc/04/79/07/894047907.db2.gz GICXWWNIUKMQLX-ZBEGNZNMSA-N 1 1 394.269 3.714 20 5 GHBDMO C[C@H]([NH2+][C@H](CCO)c1ccccc1Br)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615008 894048580 /nfs/dbraw/zinc/04/85/80/894048580.db2.gz GICXWWNIUKMQLX-MEDUHNTESA-N 1 1 394.269 3.714 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000537076443 894299914 /nfs/dbraw/zinc/29/99/14/894299914.db2.gz FOLYCGYIUNVQHD-HNNXBMFYSA-N 1 1 397.353 3.825 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001135280100 894327945 /nfs/dbraw/zinc/32/79/45/894327945.db2.gz QDVQEELHYJQTJB-JENIJYKNSA-N 1 1 387.867 3.771 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000537240368 894638012 /nfs/dbraw/zinc/63/80/12/894638012.db2.gz ZUADHCHYYXGWCC-LJQANCHMSA-N 1 1 397.475 3.730 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC(c3ccc(F)cn3)CC2)o1 ZINC000879005644 894777696 /nfs/dbraw/zinc/77/76/96/894777696.db2.gz SFYWDBYXFKGGLM-UHFFFAOYSA-N 1 1 383.383 3.559 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000537328982 894781583 /nfs/dbraw/zinc/78/15/83/894781583.db2.gz JLEUXTOCWLLUCH-UHFFFAOYSA-N 1 1 399.491 3.829 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)o1 ZINC000879053888 894807907 /nfs/dbraw/zinc/80/79/07/894807907.db2.gz GZWXONBGKIARPM-RYQLBKOJSA-N 1 1 376.416 3.880 20 5 GHBDMO Cc1c(CC(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000816453113 894845728 /nfs/dbraw/zinc/84/57/28/894845728.db2.gz KGXDIAFDRJTNJX-HRAATJIYSA-N 1 1 382.460 3.900 20 5 GHBDMO O=[N+]([O-])c1cc(CNCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC000237863313 895218937 /nfs/dbraw/zinc/21/89/37/895218937.db2.gz FGJFXNDWNANKNG-UHFFFAOYSA-N 1 1 394.928 3.612 20 5 GHBDMO Cn1cc([C@@H]2C[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000565172547 895438740 /nfs/dbraw/zinc/43/87/40/895438740.db2.gz OUAOVHRAYPWXLS-HNNXBMFYSA-N 1 1 393.285 3.716 20 5 GHBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000565172547 895438748 /nfs/dbraw/zinc/43/87/48/895438748.db2.gz OUAOVHRAYPWXLS-HNNXBMFYSA-N 1 1 393.285 3.716 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000566011178 896046715 /nfs/dbraw/zinc/04/67/15/896046715.db2.gz MBCCGXMZIATMCW-PBHICJAKSA-N 1 1 387.867 3.889 20 5 GHBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001170892558 896090059 /nfs/dbraw/zinc/09/00/59/896090059.db2.gz ZJFLJURZAJFWRY-KRWDZBQOSA-N 1 1 399.285 3.911 20 5 GHBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001170892558 896090071 /nfs/dbraw/zinc/09/00/71/896090071.db2.gz ZJFLJURZAJFWRY-KRWDZBQOSA-N 1 1 399.285 3.911 20 5 GHBDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819100957 896377165 /nfs/dbraw/zinc/37/71/65/896377165.db2.gz XMORMIFSAXWJMP-QFIPXVFZSA-N 1 1 395.459 3.643 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC4(CCC4)[C@H]3C3CCOCC3)c2c(Cl)c1 ZINC000819903668 897043813 /nfs/dbraw/zinc/04/38/13/897043813.db2.gz ZLEAVSWEUPIRHP-GOSISDBHSA-N 1 1 390.871 3.837 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC4(CCC4)[C@H]3C3CCOCC3)c2c(Cl)c1 ZINC000819903668 897043830 /nfs/dbraw/zinc/04/38/30/897043830.db2.gz ZLEAVSWEUPIRHP-GOSISDBHSA-N 1 1 390.871 3.837 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106877004 898296455 /nfs/dbraw/zinc/29/64/55/898296455.db2.gz WQILSVRUSWDHJW-GFCCVEGCSA-N 1 1 392.481 3.698 20 5 GHBDMO CC(C)[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000569171244 898388253 /nfs/dbraw/zinc/38/82/53/898388253.db2.gz NQVYEFFLOAWNMT-VGSWGCGISA-N 1 1 395.503 3.897 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000805794527 898507146 /nfs/dbraw/zinc/50/71/46/898507146.db2.gz VVMBBYYROBRMMB-FQEVSTJZSA-N 1 1 375.469 3.818 20 5 GHBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289631726 914273664 /nfs/dbraw/zinc/27/36/64/914273664.db2.gz MAOYYTFLMVOLEB-INIZCTEOSA-N 1 1 388.493 3.599 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1 ZINC000569674428 898874124 /nfs/dbraw/zinc/87/41/24/898874124.db2.gz OLCRQMCCBKDGHF-UHFFFAOYSA-N 1 1 377.828 3.961 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1F ZINC000823268330 898930012 /nfs/dbraw/zinc/93/00/12/898930012.db2.gz HZYFSWHADJWWRX-UKRRQHHQSA-N 1 1 389.402 3.747 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1)CC(C)C ZINC000823968352 899335378 /nfs/dbraw/zinc/33/53/78/899335378.db2.gz OVDYAMSHTZTWFD-UHFFFAOYSA-N 1 1 391.516 3.789 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)o2)cc1 ZINC000289771681 914339063 /nfs/dbraw/zinc/33/90/63/914339063.db2.gz RIAJGPCYESSCEM-CZUORRHYSA-N 1 1 384.354 3.848 20 5 GHBDMO C[C@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332385991 899627141 /nfs/dbraw/zinc/62/71/41/899627141.db2.gz BVUFBOBJQDDCIT-IVSAIRAKSA-N 1 1 377.460 3.701 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@H]1C ZINC001136945749 899817449 /nfs/dbraw/zinc/81/74/49/899817449.db2.gz YIOHHAPMAQDGCB-WBVHZDCISA-N 1 1 382.464 3.602 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000572018143 900035065 /nfs/dbraw/zinc/03/50/65/900035065.db2.gz CVNQFDLTNGRIJK-QGZVFWFLSA-N 1 1 397.475 3.730 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)c1ccccc1Br ZINC000825305606 900082188 /nfs/dbraw/zinc/08/21/88/900082188.db2.gz OXVOSBFDDXPKPF-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)c1ccccc1Br ZINC000825305606 900082194 /nfs/dbraw/zinc/08/21/94/900082194.db2.gz OXVOSBFDDXPKPF-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001186326097 914437498 /nfs/dbraw/zinc/43/74/98/914437498.db2.gz ZIXBXXRIIIHXNA-QGZVFWFLSA-N 1 1 392.459 3.508 20 5 GHBDMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886066592 900701784 /nfs/dbraw/zinc/70/17/84/900701784.db2.gz AURABHHQKHGPQY-UHFFFAOYSA-N 1 1 392.818 3.633 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C)cc1 ZINC000575781382 901294414 /nfs/dbraw/zinc/29/44/14/901294414.db2.gz CIKWUOXWHXXQJS-GOSISDBHSA-N 1 1 388.464 3.644 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c([N+](=O)[O-])c1 ZINC000047274061 901708516 /nfs/dbraw/zinc/70/85/16/901708516.db2.gz HSONTDUGQKXYTO-UHFFFAOYSA-N 1 1 394.406 3.603 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c([N+](=O)[O-])c1 ZINC000047274061 901708524 /nfs/dbraw/zinc/70/85/24/901708524.db2.gz HSONTDUGQKXYTO-UHFFFAOYSA-N 1 1 394.406 3.603 20 5 GHBDMO CC1(C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303289076 914578633 /nfs/dbraw/zinc/57/86/33/914578633.db2.gz WMJDBOPECMQSBA-UHFFFAOYSA-N 1 1 387.867 3.985 20 5 GHBDMO CC1(C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303289076 914578653 /nfs/dbraw/zinc/57/86/53/914578653.db2.gz WMJDBOPECMQSBA-UHFFFAOYSA-N 1 1 387.867 3.985 20 5 GHBDMO COc1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000778946740 902088583 /nfs/dbraw/zinc/08/85/83/902088583.db2.gz QGMCUKPXUNLZFE-UHFFFAOYSA-N 1 1 387.392 3.555 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000129373374 902799110 /nfs/dbraw/zinc/79/91/10/902799110.db2.gz QWFOFFFICQLWMG-UHFFFAOYSA-N 1 1 385.489 3.715 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](c4nnc5n4CCCCC5)C3)c2c1 ZINC000601100883 903329704 /nfs/dbraw/zinc/32/97/04/903329704.db2.gz DSEDJSPAOCPDQU-HNNXBMFYSA-N 1 1 392.463 3.845 20 5 GHBDMO CC[NH+]1CCN(CCCCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000264993006 903541241 /nfs/dbraw/zinc/54/12/41/903541241.db2.gz CHOKAFBWUIEWSJ-UHFFFAOYSA-N 1 1 390.531 3.536 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)COC1CCCC1 ZINC001146764792 903597973 /nfs/dbraw/zinc/59/79/73/903597973.db2.gz CRGJMORNBUVPCN-UHFFFAOYSA-N 1 1 379.460 3.854 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000578396737 903800307 /nfs/dbraw/zinc/80/03/07/903800307.db2.gz KQJAWCNFXZBLIX-GHTZIAJQSA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000578396737 903800317 /nfs/dbraw/zinc/80/03/17/903800317.db2.gz KQJAWCNFXZBLIX-GHTZIAJQSA-N 1 1 383.492 3.845 20 5 GHBDMO CC(C)Oc1ncnc2c1CC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172904414 905927212 /nfs/dbraw/zinc/92/72/12/905927212.db2.gz NFUHLNVDYKRQLG-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905943 905931691 /nfs/dbraw/zinc/93/16/91/905931691.db2.gz VIVJDPBFLCQBRM-SFHVURJKSA-N 1 1 389.496 3.785 20 5 GHBDMO O=C1N(CC2CC2)CC[C@@]12CCC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172906029 905931934 /nfs/dbraw/zinc/93/19/34/905931934.db2.gz FOKUORQFWIVMQX-NFBKMPQASA-N 1 1 397.519 3.567 20 5 GHBDMO COC(=O)[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1c1ccccc1 ZINC001172913982 905983745 /nfs/dbraw/zinc/98/37/45/905983745.db2.gz WUVJGJXQXCTTLJ-FCEUIQTBSA-N 1 1 394.471 3.731 20 5 GHBDMO Cc1cc([C@@H]2CCC[N@H+]2C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)no1 ZINC001173010697 906087315 /nfs/dbraw/zinc/08/73/15/906087315.db2.gz XVLSOKBSHOPVEC-SFHVURJKSA-N 1 1 392.406 3.975 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001173223492 906304215 /nfs/dbraw/zinc/30/42/15/906304215.db2.gz ANJNWXHOTXATHQ-RHSMWYFYSA-N 1 1 375.469 3.515 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001173228602 906312007 /nfs/dbraw/zinc/31/20/07/906312007.db2.gz RMYYCVMMINIZQP-UQASEVPWSA-N 1 1 397.450 3.511 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173231134 906316705 /nfs/dbraw/zinc/31/67/05/906316705.db2.gz JTWVRHIWJYBYOF-CZUORRHYSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173231134 906316714 /nfs/dbraw/zinc/31/67/14/906316714.db2.gz JTWVRHIWJYBYOF-CZUORRHYSA-N 1 1 399.438 3.760 20 5 GHBDMO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233487 906320786 /nfs/dbraw/zinc/32/07/86/906320786.db2.gz WXNZESWZEYLUIO-LPHOPBHVSA-N 1 1 380.485 3.596 20 5 GHBDMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)c(Cl)c1 ZINC001174917261 907287935 /nfs/dbraw/zinc/28/79/35/907287935.db2.gz XQWZECPAUXARLC-UHFFFAOYSA-N 1 1 381.835 3.707 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@]2(C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001175034544 907346757 /nfs/dbraw/zinc/34/67/57/907346757.db2.gz ABBLBJVUCYEMBS-JOCHJYFZSA-N 1 1 397.475 3.948 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000183608211 907421651 /nfs/dbraw/zinc/42/16/51/907421651.db2.gz JLBVYHQKAICDDQ-RDJZCZTQSA-N 1 1 383.452 3.507 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c([N+](=O)[O-])cc1F ZINC000184306296 907557523 /nfs/dbraw/zinc/55/75/23/907557523.db2.gz GGIHNIWQLJEUSG-LBPRGKRZSA-N 1 1 389.383 3.550 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC001175580649 907643923 /nfs/dbraw/zinc/64/39/23/907643923.db2.gz XNAMCTXTOQZSFU-HUUCEWRRSA-N 1 1 381.498 3.878 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC001175580649 907643934 /nfs/dbraw/zinc/64/39/34/907643934.db2.gz XNAMCTXTOQZSFU-HUUCEWRRSA-N 1 1 381.498 3.878 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001176610092 908184684 /nfs/dbraw/zinc/18/46/84/908184684.db2.gz LXYGHYUKUUVJAI-OPAMFIHVSA-N 1 1 393.443 3.862 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001176610092 908184687 /nfs/dbraw/zinc/18/46/87/908184687.db2.gz LXYGHYUKUUVJAI-OPAMFIHVSA-N 1 1 393.443 3.862 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001176699133 908215543 /nfs/dbraw/zinc/21/55/43/908215543.db2.gz HBOFAJKJLRBGNH-UKRRQHHQSA-N 1 1 381.448 3.717 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000773663995 908559431 /nfs/dbraw/zinc/55/94/31/908559431.db2.gz ABVZBOWLMUARHM-UHFFFAOYSA-N 1 1 375.812 3.635 20 5 GHBDMO CC(C)c1ccc(CNCc2ccccc2C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001177939052 908825604 /nfs/dbraw/zinc/82/56/04/908825604.db2.gz VFACZKADCSZBQP-UHFFFAOYSA-N 1 1 397.519 3.965 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)nc1-c1ccncc1 ZINC000779889958 909062713 /nfs/dbraw/zinc/06/27/13/909062713.db2.gz RZSCENZPFUZYAE-QWUACUGRSA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)nc1-c1ccncc1 ZINC000779889958 909062732 /nfs/dbraw/zinc/06/27/32/909062732.db2.gz RZSCENZPFUZYAE-QWUACUGRSA-N 1 1 375.432 3.989 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)Cc1ncccc1F ZINC001178481915 909074902 /nfs/dbraw/zinc/07/49/02/909074902.db2.gz QJFOEEXGRUHKNB-UHFFFAOYSA-N 1 1 390.418 3.672 20 5 GHBDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000245499685 909678714 /nfs/dbraw/zinc/67/87/14/909678714.db2.gz YQKKWMPOTKHRDL-LZWOXQAQSA-N 1 1 394.903 3.522 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000246232397 910197269 /nfs/dbraw/zinc/19/72/69/910197269.db2.gz GIGFACUTPAVGSV-RBUKOAKNSA-N 1 1 394.431 3.905 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000246232397 910197273 /nfs/dbraw/zinc/19/72/73/910197273.db2.gz GIGFACUTPAVGSV-RBUKOAKNSA-N 1 1 394.431 3.905 20 5 GHBDMO C[C@@H]1CCCCC[N@@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795429490 910279042 /nfs/dbraw/zinc/27/90/42/910279042.db2.gz UCNMLBMDFPXULN-LLVKDONJSA-N 1 1 382.258 3.535 20 5 GHBDMO C[C@@H]1CCCCC[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795429490 910279056 /nfs/dbraw/zinc/27/90/56/910279056.db2.gz UCNMLBMDFPXULN-LLVKDONJSA-N 1 1 382.258 3.535 20 5 GHBDMO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CCC2(CCCC2)C1 ZINC000795432664 910289660 /nfs/dbraw/zinc/28/96/60/910289660.db2.gz KFZXJFZRMDGOGU-UHFFFAOYSA-N 1 1 394.269 3.537 20 5 GHBDMO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CCC2(CCCC2)C1 ZINC000795432664 910289677 /nfs/dbraw/zinc/28/96/77/910289677.db2.gz KFZXJFZRMDGOGU-UHFFFAOYSA-N 1 1 394.269 3.537 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001181154923 910575024 /nfs/dbraw/zinc/57/50/24/910575024.db2.gz XCEOTVNUKCIZSC-UHFFFAOYSA-N 1 1 393.443 3.954 20 5 GHBDMO O=C(Oc1ccccc1)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092938953 911944242 /nfs/dbraw/zinc/94/42/42/911944242.db2.gz NDDYYLNRCIYGNP-RMKNXTFCSA-N 1 1 381.432 3.815 20 5 GHBDMO O=C(Oc1ccccc1)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092938953 911944251 /nfs/dbraw/zinc/94/42/51/911944251.db2.gz NDDYYLNRCIYGNP-RMKNXTFCSA-N 1 1 381.432 3.815 20 5 GHBDMO Cc1ncsc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000093015348 912010179 /nfs/dbraw/zinc/01/01/79/912010179.db2.gz IFBXGVXOXXPHEG-UHFFFAOYSA-N 1 1 386.399 3.701 20 5 GHBDMO CC(C)C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+]1CCOCC1 ZINC000642519230 912128464 /nfs/dbraw/zinc/12/84/64/912128464.db2.gz RZCGAVPHCMPOIC-IBGZPJMESA-N 1 1 391.515 3.865 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)nc1 ZINC000303743143 915084291 /nfs/dbraw/zinc/08/42/91/915084291.db2.gz ZSXUDGDGFUSQQK-ZDUSSCGKSA-N 1 1 382.342 3.575 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)c1 ZINC001187430829 915285581 /nfs/dbraw/zinc/28/55/81/915285581.db2.gz QGYPHORHTSNMNB-PGRDOPGGSA-N 1 1 381.476 3.773 20 5 GHBDMO C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000295674906 917416051 /nfs/dbraw/zinc/41/60/51/917416051.db2.gz KXAUUPGUNXUJLP-QWHCGFSZSA-N 1 1 399.413 3.996 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC001191949670 918314255 /nfs/dbraw/zinc/31/42/55/918314255.db2.gz MSUSOGDLYIAVRA-UHFFFAOYSA-N 1 1 394.475 3.574 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000117333895 919537155 /nfs/dbraw/zinc/53/71/55/919537155.db2.gz LRPAYVQXBWUGKP-SFHVURJKSA-N 1 1 397.431 3.739 20 5 GHBDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117334664 919537379 /nfs/dbraw/zinc/53/73/79/919537379.db2.gz IHNVXENOHCDBCM-GFCCVEGCSA-N 1 1 391.374 3.864 20 5 GHBDMO COc1ccccc1[C@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[NH+](C)C ZINC000120047710 919681295 /nfs/dbraw/zinc/68/12/95/919681295.db2.gz SMVAFBGKSIIRGA-SFHVURJKSA-N 1 1 386.452 3.645 20 5 GHBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000367711449 922277638 /nfs/dbraw/zinc/27/76/38/922277638.db2.gz YEMVLDABPCFUMH-AWEZNQCLSA-N 1 1 389.839 3.738 20 5 GHBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000369783019 923619214 /nfs/dbraw/zinc/61/92/14/923619214.db2.gz HGQAAUAAQCCJLC-UHFFFAOYSA-N 1 1 382.342 3.596 20 5 GHBDMO O=C([C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001137280231 924208875 /nfs/dbraw/zinc/20/88/75/924208875.db2.gz MKFZMHBZBRLFFR-NRFANRHFSA-N 1 1 397.450 3.673 20 5 GHBDMO O=C([C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001137280231 924208882 /nfs/dbraw/zinc/20/88/82/924208882.db2.gz MKFZMHBZBRLFFR-NRFANRHFSA-N 1 1 397.450 3.673 20 5 GHBDMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373244352 925962128 /nfs/dbraw/zinc/96/21/28/925962128.db2.gz QLCGODAVZWIFHX-CVEARBPZSA-N 1 1 399.495 3.969 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411220397 926221643 /nfs/dbraw/zinc/22/16/43/926221643.db2.gz SBRBBSDBBZXCFC-SFHVURJKSA-N 1 1 397.431 3.532 20 5 GHBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000411295500 926279456 /nfs/dbraw/zinc/27/94/56/926279456.db2.gz JHIQOEAHOTWPSA-HIFRSBDPSA-N 1 1 381.498 3.538 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1cccc(O)c1 ZINC000411319940 926303444 /nfs/dbraw/zinc/30/34/44/926303444.db2.gz BDULOBPEVFSTHE-CQSZACIVSA-N 1 1 387.436 3.721 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411408299 926373137 /nfs/dbraw/zinc/37/31/37/926373137.db2.gz MFSMJXYJOZRYRP-LEWJYISDSA-N 1 1 381.476 3.855 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1F ZINC000373747086 926387237 /nfs/dbraw/zinc/38/72/37/926387237.db2.gz SCBVCORXBWFWSM-UHFFFAOYSA-N 1 1 383.383 3.559 20 5 GHBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000412036839 927021887 /nfs/dbraw/zinc/02/18/87/927021887.db2.gz HYOAZDZNQXBYSU-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000412036839 927021900 /nfs/dbraw/zinc/02/19/00/927021900.db2.gz HYOAZDZNQXBYSU-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127808 927128629 /nfs/dbraw/zinc/12/86/29/927128629.db2.gz LWCKQOUCLWLUAB-BULFRSBZSA-N 1 1 393.487 3.821 20 5 GHBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749801336 927281896 /nfs/dbraw/zinc/28/18/96/927281896.db2.gz DOXHPXQOFCMWED-UHFFFAOYSA-N 1 1 393.484 3.741 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H](O)c3ccccc3)n2)cc1 ZINC000750609082 927747821 /nfs/dbraw/zinc/74/78/21/927747821.db2.gz PONFORCLRQCSHN-QUCCMNQESA-N 1 1 394.431 3.733 20 5 GHBDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(C)C ZINC000751942584 928498988 /nfs/dbraw/zinc/49/89/88/928498988.db2.gz KKTOXRIACSJZPV-SJORKVTESA-N 1 1 375.473 3.521 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467696738 929311339 /nfs/dbraw/zinc/31/13/39/929311339.db2.gz JOUHELFJYBWHNQ-YOEHRIQHSA-N 1 1 385.489 3.710 20 5 GHBDMO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757113525 929652631 /nfs/dbraw/zinc/65/26/31/929652631.db2.gz YMBJNCGSGWFJIG-CZUORRHYSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757113525 929652638 /nfs/dbraw/zinc/65/26/38/929652638.db2.gz YMBJNCGSGWFJIG-CZUORRHYSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757113793 929652644 /nfs/dbraw/zinc/65/26/44/929652644.db2.gz ZJQHVXGPFUUVQP-CRAIPNDOSA-N 1 1 393.484 3.599 20 5 GHBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[N@H+]1Cc1ccccc1 ZINC000757784426 929798555 /nfs/dbraw/zinc/79/85/55/929798555.db2.gz BKPVPUCPABNRKB-QAPCUYQASA-N 1 1 394.475 3.562 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](c2c(F)cccc2F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000469451819 929903982 /nfs/dbraw/zinc/90/39/82/929903982.db2.gz GBZGXVWCEFZKNL-ZDUSSCGKSA-N 1 1 375.375 3.691 20 5 GHBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1Cl ZINC000758521989 930069201 /nfs/dbraw/zinc/06/92/01/930069201.db2.gz LFUUBRMUUHITDV-UHFFFAOYSA-N 1 1 389.260 3.595 20 5 GHBDMO C[N@@H+](CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000546539456 930249514 /nfs/dbraw/zinc/24/95/14/930249514.db2.gz DEGBMUNLGGASBG-UHFFFAOYSA-N 1 1 387.455 3.650 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546584421 930277095 /nfs/dbraw/zinc/27/70/95/930277095.db2.gz UAKABOFEUUZVDY-HNNXBMFYSA-N 1 1 379.476 3.782 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470171176 930429103 /nfs/dbraw/zinc/42/91/03/930429103.db2.gz GJQXMCFRULMVBZ-WJDWOHSUSA-N 1 1 383.448 3.967 20 5 GHBDMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470171176 930429106 /nfs/dbraw/zinc/42/91/06/930429106.db2.gz GJQXMCFRULMVBZ-WJDWOHSUSA-N 1 1 383.448 3.967 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000470175522 930430948 /nfs/dbraw/zinc/43/09/48/930430948.db2.gz ZJFRPEOBJXJECW-LFDGNKEFSA-N 1 1 383.423 3.875 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000470175522 930430955 /nfs/dbraw/zinc/43/09/55/930430955.db2.gz ZJFRPEOBJXJECW-LFDGNKEFSA-N 1 1 383.423 3.875 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000470209273 930453705 /nfs/dbraw/zinc/45/37/05/930453705.db2.gz YOBAQBDQHUJFAA-MHWRWJLKSA-N 1 1 375.432 3.814 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000470983169 931076116 /nfs/dbraw/zinc/07/61/16/931076116.db2.gz JIEGKTMLVYVACL-MRXNPFEDSA-N 1 1 385.464 3.634 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000557166279 931243104 /nfs/dbraw/zinc/24/31/04/931243104.db2.gz YBJDKODPYGJUMO-HNNXBMFYSA-N 1 1 391.493 3.649 20 5 GHBDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC3 ZINC000782513048 931248651 /nfs/dbraw/zinc/24/86/51/931248651.db2.gz NROFHKRECXWPNN-UHFFFAOYSA-N 1 1 396.422 3.911 20 5 GHBDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC3 ZINC000782513048 931248659 /nfs/dbraw/zinc/24/86/59/931248659.db2.gz NROFHKRECXWPNN-UHFFFAOYSA-N 1 1 396.422 3.911 20 5 GHBDMO CN(C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC000783558683 931581530 /nfs/dbraw/zinc/58/15/30/931581530.db2.gz FZDSLXMNLJTSQY-CQSZACIVSA-N 1 1 383.876 3.937 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC000783558683 931581533 /nfs/dbraw/zinc/58/15/33/931581533.db2.gz FZDSLXMNLJTSQY-CQSZACIVSA-N 1 1 383.876 3.937 20 5 GHBDMO C/C(=C\C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895750 931708233 /nfs/dbraw/zinc/70/82/33/931708233.db2.gz KOXQHCQOMPNGDJ-HJUDDPQBSA-N 1 1 379.460 3.561 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000558063658 931823389 /nfs/dbraw/zinc/82/33/89/931823389.db2.gz RMEDRJZLZSHSPH-OAQYLSRUSA-N 1 1 395.459 3.502 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cc(F)ccc1[N+](=O)[O-] ZINC000784326594 931856946 /nfs/dbraw/zinc/85/69/46/931856946.db2.gz JEFQGELWZOLEQQ-NSISKUIASA-N 1 1 397.450 3.764 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000784504964 931916482 /nfs/dbraw/zinc/91/64/82/931916482.db2.gz KXZDYCSFIBFISN-BPQIPLTHSA-N 1 1 375.469 3.720 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000796683913 932030212 /nfs/dbraw/zinc/03/02/12/932030212.db2.gz QFKNFAZAGUHLMD-QGZVFWFLSA-N 1 1 391.468 3.627 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000796683913 932030220 /nfs/dbraw/zinc/03/02/20/932030220.db2.gz QFKNFAZAGUHLMD-QGZVFWFLSA-N 1 1 391.468 3.627 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@]1(c2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000927119980 932420541 /nfs/dbraw/zinc/42/05/41/932420541.db2.gz NFFIWDUGVKRKIY-UNMCSNQZSA-N 1 1 392.459 3.713 20 5 GHBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCSC1 ZINC000559247818 932548868 /nfs/dbraw/zinc/54/88/68/932548868.db2.gz JBQQZQTWSAXQKP-CQSZACIVSA-N 1 1 378.416 3.958 20 5 GHBDMO COc1cc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000798401413 932631708 /nfs/dbraw/zinc/63/17/08/932631708.db2.gz QGDDZRCXNMKXMF-NRFANRHFSA-N 1 1 385.464 3.936 20 5 GHBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)c2C1 ZINC001116441428 933559878 /nfs/dbraw/zinc/55/98/78/933559878.db2.gz VUTIWVBKLCYBBA-UHFFFAOYSA-N 1 1 387.411 3.723 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001116750438 933736359 /nfs/dbraw/zinc/73/63/59/933736359.db2.gz ZQBJTPCHUNXIRV-DOTOQJQBSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001116750438 933736370 /nfs/dbraw/zinc/73/63/70/933736370.db2.gz ZQBJTPCHUNXIRV-DOTOQJQBSA-N 1 1 392.818 3.954 20 5 GHBDMO NC(=O)c1cccc([N+](=O)[O-])c1NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001118051476 934082973 /nfs/dbraw/zinc/08/29/73/934082973.db2.gz LYZTYSJICUUGNK-AYHJJNSGSA-N 1 1 394.475 3.691 20 5 GHBDMO Cc1ccc(NCCCNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH+]c1 ZINC001226774215 1032123805 /nfs/dbraw/zinc/12/38/05/1032123805.db2.gz IOVUEGZEVNWVQS-GOSISDBHSA-N 1 1 397.479 3.689 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000545845336 1016508425 /nfs/dbraw/zinc/50/84/25/1016508425.db2.gz RKSARIZKAAIOBY-OALUTQOASA-N 1 1 385.439 3.573 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001227340336 1032381320 /nfs/dbraw/zinc/38/13/20/1032381320.db2.gz OBOGJCATSWUXOL-CYBMUJFWSA-N 1 1 380.807 3.529 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001227340336 1032381329 /nfs/dbraw/zinc/38/13/29/1032381329.db2.gz OBOGJCATSWUXOL-CYBMUJFWSA-N 1 1 380.807 3.529 20 5 GHBDMO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3CC[N@@H+](C(C)C)C3)c([N+](=O)[O-])c2)cc1 ZINC001227701292 1032522417 /nfs/dbraw/zinc/52/24/17/1032522417.db2.gz DORGFCVKFOHRKR-KRWDZBQOSA-N 1 1 384.432 3.701 20 5 GHBDMO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3CC[N@H+](C(C)C)C3)c([N+](=O)[O-])c2)cc1 ZINC001227701292 1032522423 /nfs/dbraw/zinc/52/24/23/1032522423.db2.gz DORGFCVKFOHRKR-KRWDZBQOSA-N 1 1 384.432 3.701 20 5 GHBDMO COC(=O)c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001227897459 1032676843 /nfs/dbraw/zinc/67/68/43/1032676843.db2.gz QCVQFZJDCCUKGJ-YJBOKZPZSA-N 1 1 384.432 3.671 20 5 GHBDMO C[N@@H+]1CCN(C(=O)c2ccnc3c2ccc2cccnc23)[C@@H](c2ccccc2)C1 ZINC001155805221 1032714865 /nfs/dbraw/zinc/71/48/65/1032714865.db2.gz CJFUCEWHWYDGAR-OAQYLSRUSA-N 1 1 382.467 3.912 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2ccnc3c2ccc2cccnc23)[C@@H](c2ccccc2)C1 ZINC001155805221 1032714872 /nfs/dbraw/zinc/71/48/72/1032714872.db2.gz CJFUCEWHWYDGAR-OAQYLSRUSA-N 1 1 382.467 3.912 20 5 GHBDMO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000778088669 1018303998 /nfs/dbraw/zinc/30/39/98/1018303998.db2.gz URLJIPGIEBBFAL-UHFFFAOYSA-N 1 1 394.406 3.695 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933080992 1018838363 /nfs/dbraw/zinc/83/83/63/1018838363.db2.gz FPACOVINIBMXCC-WMLDXEAASA-N 1 1 386.452 3.844 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778948193 1020036650 /nfs/dbraw/zinc/03/66/50/1020036650.db2.gz KBIAJQNFNOXFFH-CVEARBPZSA-N 1 1 391.468 3.577 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778948193 1020036656 /nfs/dbraw/zinc/03/66/56/1020036656.db2.gz KBIAJQNFNOXFFH-CVEARBPZSA-N 1 1 391.468 3.577 20 5 GHBDMO COc1cc(C[N@@H+](C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778951941 1020045425 /nfs/dbraw/zinc/04/54/25/1020045425.db2.gz PYBGFWLHKFZEPQ-INIZCTEOSA-N 1 1 391.468 3.577 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000796116541 1021109991 /nfs/dbraw/zinc/10/99/91/1021109991.db2.gz VMEOQQOFPGGZRM-INIZCTEOSA-N 1 1 377.485 3.716 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2c1 ZINC001156315433 1032976319 /nfs/dbraw/zinc/97/63/19/1032976319.db2.gz OACCBTNZPCBMLD-YTQUADARSA-N 1 1 389.459 3.861 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC001156317286 1032980502 /nfs/dbraw/zinc/98/05/02/1032980502.db2.gz KYFBNPYZINKFIK-GVDBMIGSSA-N 1 1 377.448 3.794 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001156338662 1032993418 /nfs/dbraw/zinc/99/34/18/1032993418.db2.gz FBEGWNDAIAFCDR-RBUKOAKNSA-N 1 1 376.416 3.509 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000754099644 1022480884 /nfs/dbraw/zinc/48/08/84/1022480884.db2.gz WZUUHSQMQDSJTO-XQAUZQBESA-N 1 1 397.450 3.980 20 5 GHBDMO C/C(=C/c1ccccc1)C[N@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000754856144 1022935843 /nfs/dbraw/zinc/93/58/43/1022935843.db2.gz HRRJBABPFOMHIO-VKAVYKQESA-N 1 1 380.448 3.830 20 5 GHBDMO C/C(=C/c1ccccc1)C[N@@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000754856144 1022935844 /nfs/dbraw/zinc/93/58/44/1022935844.db2.gz HRRJBABPFOMHIO-VKAVYKQESA-N 1 1 380.448 3.830 20 5 GHBDMO CCc1ccc(-c2noc([C@H](C)[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000755162545 1023104610 /nfs/dbraw/zinc/10/46/10/1023104610.db2.gz JWZAJKPMPIRXRF-UGSOOPFHSA-N 1 1 382.420 3.591 20 5 GHBDMO CCOc1cc(COC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000755530158 1023285138 /nfs/dbraw/zinc/28/51/38/1023285138.db2.gz NTJSHWUTUFOGKW-UHFFFAOYSA-N 1 1 399.447 3.657 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755834410 1023396784 /nfs/dbraw/zinc/39/67/84/1023396784.db2.gz LLKHSYUSWYEBSV-DOTOQJQBSA-N 1 1 384.432 3.671 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000756967000 1023890817 /nfs/dbraw/zinc/89/08/17/1023890817.db2.gz HMINJQLFMLYMPL-UHFFFAOYSA-N 1 1 390.871 3.699 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001162120807 1025616819 /nfs/dbraw/zinc/61/68/19/1025616819.db2.gz UOIZZBCGBWAJRU-QGZVFWFLSA-N 1 1 380.423 3.781 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001162267828 1025697760 /nfs/dbraw/zinc/69/77/60/1025697760.db2.gz WOLVFKXIYSUNIE-DOTOQJQBSA-N 1 1 383.448 3.937 20 5 GHBDMO CC[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001162726053 1025894079 /nfs/dbraw/zinc/89/40/79/1025894079.db2.gz VPBRTVIHCIOTDU-YLJYHZDGSA-N 1 1 395.463 3.563 20 5 GHBDMO CC[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001162726053 1025894101 /nfs/dbraw/zinc/89/41/01/1025894101.db2.gz VPBRTVIHCIOTDU-YLJYHZDGSA-N 1 1 395.463 3.563 20 5 GHBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC001162764054 1025910686 /nfs/dbraw/zinc/91/06/86/1025910686.db2.gz ZLNFMRMMSHIANL-CYBMUJFWSA-N 1 1 385.855 3.989 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000839678375 1026193226 /nfs/dbraw/zinc/19/32/26/1026193226.db2.gz ABEWZKDTYJFONX-LJQANCHMSA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000839678375 1026193237 /nfs/dbraw/zinc/19/32/37/1026193237.db2.gz ABEWZKDTYJFONX-LJQANCHMSA-N 1 1 379.432 3.709 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001164480233 1026522871 /nfs/dbraw/zinc/52/28/71/1026522871.db2.gz OZOISILQTDCBGL-ARFHVFGLSA-N 1 1 385.439 3.857 20 5 GHBDMO CNc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC001166807621 1027088743 /nfs/dbraw/zinc/08/87/43/1027088743.db2.gz RGCTWJZXUHNODA-NRFANRHFSA-N 1 1 396.491 3.619 20 5 GHBDMO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001141891525 1027602740 /nfs/dbraw/zinc/60/27/40/1027602740.db2.gz WQRIEJWLJSQCNZ-MGPUTAFESA-N 1 1 385.439 3.966 20 5 GHBDMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001141891525 1027602744 /nfs/dbraw/zinc/60/27/44/1027602744.db2.gz WQRIEJWLJSQCNZ-MGPUTAFESA-N 1 1 385.439 3.966 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000841024405 1028050481 /nfs/dbraw/zinc/05/04/81/1028050481.db2.gz STQYTYHKNZBRAB-RJJVWVDVSA-N 1 1 391.471 3.841 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001142142409 1028234918 /nfs/dbraw/zinc/23/49/18/1028234918.db2.gz PKFFKMNDYCOCHC-SFNKJDCFSA-N 1 1 375.513 3.646 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001142379651 1028785620 /nfs/dbraw/zinc/78/56/20/1028785620.db2.gz VONHKJIKUZWLPZ-UHFFFAOYSA-N 1 1 381.476 3.778 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC001461460455 1069559634 /nfs/dbraw/zinc/55/96/34/1069559634.db2.gz POFCLUAHEDTGQR-UHFFFAOYSA-N 1 1 377.872 3.901 20 5 GHBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001142556588 1029056439 /nfs/dbraw/zinc/05/64/39/1029056439.db2.gz PEZPOZDSQKXAPU-SFHVURJKSA-N 1 1 399.466 3.695 20 5 GHBDMO O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(C[NH2+]C[C@@H]4CCCO4)n3)cc2)c1 ZINC000843211621 1029854447 /nfs/dbraw/zinc/85/44/47/1029854447.db2.gz XGYYEQKKBRNTTL-SFHVURJKSA-N 1 1 396.403 3.706 20 5 GHBDMO Cc1cc(F)c(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1[N+](=O)[O-] ZINC001216951459 1030025602 /nfs/dbraw/zinc/02/56/02/1030025602.db2.gz XIZSTNFCXMQZJG-UHFFFAOYSA-N 1 1 398.394 3.592 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001222778723 1030305510 /nfs/dbraw/zinc/30/55/10/1030305510.db2.gz YODUUWFTYCLEKJ-KKSFZXQISA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001222778721 1030305824 /nfs/dbraw/zinc/30/58/24/1030305824.db2.gz YODUUWFTYCLEKJ-IERDGZPVSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1ccc(CO[C@@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001223414966 1030566221 /nfs/dbraw/zinc/56/62/21/1030566221.db2.gz UFFPGHLJIOXDPA-MAUKXSAKSA-N 1 1 399.447 3.519 20 5 GHBDMO COC(=O)c1cccc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001223662180 1030690944 /nfs/dbraw/zinc/69/09/44/1030690944.db2.gz CORIBKYSLSDKQK-OXQOHEQNSA-N 1 1 398.459 3.809 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@H](C)C2C[NH2+]C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218198372 1030819749 /nfs/dbraw/zinc/81/97/49/1030819749.db2.gz ITZKPYGKZROUSU-CYBMUJFWSA-N 1 1 395.455 3.853 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@](C)([NH3+])CC(C)C ZINC001219005116 1031207859 /nfs/dbraw/zinc/20/78/59/1031207859.db2.gz CEEAXVUGHQPDHU-JOCHJYFZSA-N 1 1 380.492 3.659 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225887140 1031675214 /nfs/dbraw/zinc/67/52/14/1031675214.db2.gz VAOPJTKXNJECEN-ACJLOTCBSA-N 1 1 389.383 3.932 20 5 GHBDMO O=[N+]([O-])c1cc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c(Cl)cc1F ZINC001226198837 1031845588 /nfs/dbraw/zinc/84/55/88/1031845588.db2.gz QIOPGJFBEKQKOJ-CQSZACIVSA-N 1 1 380.803 3.667 20 5 GHBDMO O=[N+]([O-])c1cc(O[C@H]2COCC[N@@H+](Cc3ccccc3)C2)c(Cl)cc1F ZINC001226198837 1031845609 /nfs/dbraw/zinc/84/56/09/1031845609.db2.gz QIOPGJFBEKQKOJ-CQSZACIVSA-N 1 1 380.803 3.667 20 5 GHBDMO Cc1cc(C)n(-c2ccc(CNc3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)cc2)n1 ZINC001156996652 1033363650 /nfs/dbraw/zinc/36/36/50/1033363650.db2.gz DKXPOXQDZQXGMB-MDZDMXLPSA-N 1 1 392.463 3.937 20 5 GHBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001157022326 1033374342 /nfs/dbraw/zinc/37/43/42/1033374342.db2.gz XBCBUHLDBJGZSW-AWEZNQCLSA-N 1 1 375.860 3.624 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229361886 1033438654 /nfs/dbraw/zinc/43/86/54/1033438654.db2.gz PPAOHFZYPYWZAQ-IFXJQAMLSA-N 1 1 394.431 3.533 20 5 GHBDMO CN(CC[N@@H+](C)Cc1ccccc1)C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001157552075 1033655195 /nfs/dbraw/zinc/65/51/95/1033655195.db2.gz ZPQOKGVMHALOQA-UHFFFAOYSA-N 1 1 384.814 3.756 20 5 GHBDMO Cc1ccc(N2CCC[C@@H](Oc3ccc4c(C)cc(=O)oc4c3[N+](=O)[O-])C2)[nH+]c1 ZINC001229946105 1033807378 /nfs/dbraw/zinc/80/73/78/1033807378.db2.gz LHWKMAYUGPHWTI-OAHLLOKOSA-N 1 1 395.415 3.761 20 5 GHBDMO O=C(c1ccc2oc3ccccc3c(=O)c2c1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157969831 1033842687 /nfs/dbraw/zinc/84/26/87/1033842687.db2.gz NIUMMVRVMXQNCY-HXUWFJFHSA-N 1 1 384.435 3.733 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001230246147 1033960429 /nfs/dbraw/zinc/96/04/29/1033960429.db2.gz JQIYGHYMQVCMJH-FOIQADDNSA-N 1 1 383.448 3.843 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001230493927 1034089539 /nfs/dbraw/zinc/08/95/39/1034089539.db2.gz NDPSXUUWTFZBKB-HNNXBMFYSA-N 1 1 389.383 3.994 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001230493927 1034089556 /nfs/dbraw/zinc/08/95/56/1034089556.db2.gz NDPSXUUWTFZBKB-HNNXBMFYSA-N 1 1 389.383 3.994 20 5 GHBDMO CCOC(=O)c1ccc(O[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)cc1[N+](=O)[O-] ZINC001230918370 1034287350 /nfs/dbraw/zinc/28/73/50/1034287350.db2.gz ONEZVIKDWYFAPX-MRXNPFEDSA-N 1 1 385.420 3.523 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231056489 1034369835 /nfs/dbraw/zinc/36/98/35/1034369835.db2.gz SSJVBVMDDMSFAT-GJZGRUSLSA-N 1 1 379.420 3.537 20 5 GHBDMO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232222695 1035169863 /nfs/dbraw/zinc/16/98/63/1035169863.db2.gz PPKIJOHVUJGCCE-DEOSSOPVSA-N 1 1 380.451 3.879 20 5 GHBDMO COc1c(O)ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001461988197 1069931186 /nfs/dbraw/zinc/93/11/86/1069931186.db2.gz RWAFMPZUHFPWAX-LPHOPBHVSA-N 1 1 399.491 3.794 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001248208876 1035640933 /nfs/dbraw/zinc/64/09/33/1035640933.db2.gz NDJXMJVFKLLCLM-GFCCVEGCSA-N 1 1 380.738 3.819 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2OC(F)(F)F)no1 ZINC001248209984 1035641334 /nfs/dbraw/zinc/64/13/34/1035641334.db2.gz HMZPOVBRAJOFJA-ZDUSSCGKSA-N 1 1 394.309 3.786 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001233576884 1039453583 /nfs/dbraw/zinc/45/35/83/1039453583.db2.gz DASOUMJLJUPJGW-CYBMUJFWSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001233576884 1039453593 /nfs/dbraw/zinc/45/35/93/1039453593.db2.gz DASOUMJLJUPJGW-CYBMUJFWSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc2ncccc2c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001233786674 1039618156 /nfs/dbraw/zinc/61/81/56/1039618156.db2.gz QRQVEBREYXXXIF-SFHVURJKSA-N 1 1 393.443 3.813 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001234050317 1039786264 /nfs/dbraw/zinc/78/62/64/1039786264.db2.gz HGNUPTULQKBSHB-YWZLYKJASA-N 1 1 384.432 3.671 20 5 GHBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c1)C2 ZINC001234535351 1040108515 /nfs/dbraw/zinc/10/85/15/1040108515.db2.gz GZSLWHHAXXBBNY-NHAGDIPZSA-N 1 1 377.441 3.946 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254478575 1040264751 /nfs/dbraw/zinc/26/47/51/1040264751.db2.gz GZXCEEDFDJFMDH-MRXNPFEDSA-N 1 1 389.496 3.617 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC[C@H](Oc4cccnc4)C3)CC2)cc1 ZINC001254479339 1040266660 /nfs/dbraw/zinc/26/66/60/1040266660.db2.gz YAQBMNWGCRPQNK-NRFANRHFSA-N 1 1 382.464 3.502 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001254551756 1040318081 /nfs/dbraw/zinc/31/80/81/1040318081.db2.gz FGJDVDZXAUTHNP-NVXWUHKLSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001254552297 1040321408 /nfs/dbraw/zinc/32/14/08/1040321408.db2.gz KCGKYNPRDZSLCH-HZPDHXFCSA-N 1 1 377.485 3.857 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC001254556437 1040326390 /nfs/dbraw/zinc/32/63/90/1040326390.db2.gz KZTISJQJFBTXLL-DLBZAZTESA-N 1 1 385.512 3.639 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001254559207 1040330455 /nfs/dbraw/zinc/33/04/55/1040330455.db2.gz JQLICKRYAXNOOH-INMHGKMJSA-N 1 1 377.485 3.903 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254564407 1040338018 /nfs/dbraw/zinc/33/80/18/1040338018.db2.gz LRGSCERHONBIEH-INMHGKMJSA-N 1 1 377.485 3.761 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254563977 1040339264 /nfs/dbraw/zinc/33/92/64/1040339264.db2.gz HNSKTYLUTDPXBW-VYDXJSESSA-N 1 1 377.485 3.761 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001254571621 1040348538 /nfs/dbraw/zinc/34/85/38/1040348538.db2.gz ZAWYENPLLSFUIM-RDJZCZTQSA-N 1 1 377.485 3.857 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]31)C2 ZINC001254594026 1040366390 /nfs/dbraw/zinc/36/63/90/1040366390.db2.gz PLMGEEYHCOLVJN-FNAHDJPLSA-N 1 1 386.492 3.501 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]31)C2 ZINC001254594026 1040366401 /nfs/dbraw/zinc/36/64/01/1040366401.db2.gz PLMGEEYHCOLVJN-FNAHDJPLSA-N 1 1 386.492 3.501 20 5 GHBDMO C[N@H+](Cc1ccccc1F)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607725 1040378873 /nfs/dbraw/zinc/37/88/73/1040378873.db2.gz MPSDQDWQPOWAFW-OAQYLSRUSA-N 1 1 383.467 3.798 20 5 GHBDMO C[N@@H+](Cc1ccccc1F)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607725 1040378882 /nfs/dbraw/zinc/37/88/82/1040378882.db2.gz MPSDQDWQPOWAFW-OAQYLSRUSA-N 1 1 383.467 3.798 20 5 GHBDMO O=[N+]([O-])c1cc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cnc1Cl ZINC001255450497 1041052463 /nfs/dbraw/zinc/05/24/63/1041052463.db2.gz BVBVHYOXSLSCAO-ZDUSSCGKSA-N 1 1 385.811 3.683 20 5 GHBDMO COc1c(C)ccc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1[N+](=O)[O-] ZINC001255479099 1041078170 /nfs/dbraw/zinc/07/81/70/1041078170.db2.gz PMDCAXAYXWDDGW-MRXNPFEDSA-N 1 1 394.431 3.951 20 5 GHBDMO COc1cccc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1[N+](=O)[O-] ZINC001255486869 1041085820 /nfs/dbraw/zinc/08/58/20/1041085820.db2.gz LAKPKRQWSMXRHR-OAHLLOKOSA-N 1 1 380.404 3.643 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CC[C@@H](Oc4ccccc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099128 1041526894 /nfs/dbraw/zinc/52/68/94/1041526894.db2.gz JRVDCLFXQPWMSQ-HXUWFJFHSA-N 1 1 397.475 3.726 20 5 GHBDMO C[C@@H]1C[N@H+](CCc2nnc(-c3cc4c(cccc4[N+](=O)[O-])s3)o2)C[C@H](C)O1 ZINC001258037444 1044365147 /nfs/dbraw/zinc/36/51/47/1044365147.db2.gz XKWZNTVUZQAXHL-TXEJJXNPSA-N 1 1 388.449 3.511 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC[N@H+]1Cc1ccccc1 ZINC001295601431 1045066012 /nfs/dbraw/zinc/06/60/12/1045066012.db2.gz RSPJEWHGTLVYBE-LJQANCHMSA-N 1 1 396.491 3.763 20 5 GHBDMO CC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001296079048 1045247535 /nfs/dbraw/zinc/24/75/35/1045247535.db2.gz BRSHARISKWCSTR-LJQANCHMSA-N 1 1 398.511 3.538 20 5 GHBDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC1 ZINC001296087436 1045250458 /nfs/dbraw/zinc/25/04/58/1045250458.db2.gz GMCJBLOMCPICMO-IBGZPJMESA-N 1 1 398.511 3.716 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ncccn3)C2)c(Br)c1 ZINC001262077971 1046174895 /nfs/dbraw/zinc/17/48/95/1046174895.db2.gz VFIORLMADMHRCM-ZDUSSCGKSA-N 1 1 377.242 3.527 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ncccn3)C2)c(Br)c1 ZINC001262077971 1046174898 /nfs/dbraw/zinc/17/48/98/1046174898.db2.gz VFIORLMADMHRCM-ZDUSSCGKSA-N 1 1 377.242 3.527 20 5 GHBDMO O=C(NCc1c[nH+]c2n1CCC2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001303550661 1047425611 /nfs/dbraw/zinc/42/56/11/1047425611.db2.gz AGLDVNJFJKGMDN-UHFFFAOYSA-N 1 1 394.456 3.819 20 5 GHBDMO CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001306770469 1048876478 /nfs/dbraw/zinc/87/64/78/1048876478.db2.gz PNWDMWBDJVEWKE-IBGZPJMESA-N 1 1 398.511 3.716 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307110637 1049081534 /nfs/dbraw/zinc/08/15/34/1049081534.db2.gz SJYAMHYFURXUJI-MRXNPFEDSA-N 1 1 380.423 3.638 20 5 GHBDMO C[N@H+]1C[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001307148118 1049104095 /nfs/dbraw/zinc/10/40/95/1049104095.db2.gz LDLXPKJINKEKLZ-HIFRSBDPSA-N 1 1 391.269 3.510 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001307185716 1049125009 /nfs/dbraw/zinc/12/50/09/1049125009.db2.gz SADCMVREJVQLNN-SJLPKXTDSA-N 1 1 397.475 3.870 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001307185715 1049125105 /nfs/dbraw/zinc/12/51/05/1049125105.db2.gz SADCMVREJVQLNN-FUHWJXTLSA-N 1 1 397.475 3.870 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1OC ZINC001307629912 1049462844 /nfs/dbraw/zinc/46/28/44/1049462844.db2.gz NGFVZHJEOMZVSF-XHSDSOJGSA-N 1 1 379.501 3.553 20 5 GHBDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC001307716190 1049530195 /nfs/dbraw/zinc/53/01/95/1049530195.db2.gz SXRFTPNKFGKOQS-QGZVFWFLSA-N 1 1 399.491 3.708 20 5 GHBDMO CCOc1ccccc1C[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC001307716190 1049530210 /nfs/dbraw/zinc/53/02/10/1049530210.db2.gz SXRFTPNKFGKOQS-QGZVFWFLSA-N 1 1 399.491 3.708 20 5 GHBDMO CCOc1cc(N2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001307735159 1049547877 /nfs/dbraw/zinc/54/78/77/1049547877.db2.gz WNSWJZJDXQEHNJ-FXAWDEMLSA-N 1 1 391.512 3.711 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)cc1[N+](=O)[O-] ZINC001307882866 1049664600 /nfs/dbraw/zinc/66/46/00/1049664600.db2.gz RYHSJFBNPOWWRW-HNNXBMFYSA-N 1 1 392.253 3.714 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ncc(Br)cn3)C2)cc1F ZINC001308074512 1049820665 /nfs/dbraw/zinc/82/06/65/1049820665.db2.gz BYAASNIVNGAFIJ-LBPRGKRZSA-N 1 1 395.232 3.666 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ncc(Br)cn3)C2)cc1F ZINC001308074512 1049820675 /nfs/dbraw/zinc/82/06/75/1049820675.db2.gz BYAASNIVNGAFIJ-LBPRGKRZSA-N 1 1 395.232 3.666 20 5 GHBDMO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001308210050 1049913581 /nfs/dbraw/zinc/91/35/81/1049913581.db2.gz SSHDRIZEZKCLCB-UHFFFAOYSA-N 1 1 379.416 3.603 20 5 GHBDMO COc1ccc(-c2ccc(CNC[C@@H]3CC[N@@H+]3C3CCCC3)o2)c([N+](=O)[O-])c1 ZINC001308484073 1049986421 /nfs/dbraw/zinc/98/64/21/1049986421.db2.gz LLMLLLIQLQNVBU-INIZCTEOSA-N 1 1 385.464 3.970 20 5 GHBDMO COc1ccc(-c2ccc(CNC[C@@H]3CC[N@H+]3C3CCCC3)o2)c([N+](=O)[O-])c1 ZINC001308484073 1049986424 /nfs/dbraw/zinc/98/64/24/1049986424.db2.gz LLMLLLIQLQNVBU-INIZCTEOSA-N 1 1 385.464 3.970 20 5 GHBDMO COc1ccc(-c2ccc(CNC[C@H]3CC[N@@H+]3C3CCCC3)o2)c([N+](=O)[O-])c1 ZINC001308484074 1049986483 /nfs/dbraw/zinc/98/64/83/1049986483.db2.gz LLMLLLIQLQNVBU-MRXNPFEDSA-N 1 1 385.464 3.970 20 5 GHBDMO COc1ccc(-c2ccc(CNC[C@H]3CC[N@H+]3C3CCCC3)o2)c([N+](=O)[O-])c1 ZINC001308484074 1049986487 /nfs/dbraw/zinc/98/64/87/1049986487.db2.gz LLMLLLIQLQNVBU-MRXNPFEDSA-N 1 1 385.464 3.970 20 5 GHBDMO Cc1csc2nc(C)c(C[NH2+]Cc3ccc(Br)cc3[N+](=O)[O-])n12 ZINC001308919492 1050169415 /nfs/dbraw/zinc/16/94/15/1050169415.db2.gz SKKAIXZFQFGRCO-UHFFFAOYSA-N 1 1 395.282 3.973 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC001327716163 1050260520 /nfs/dbraw/zinc/26/05/20/1050260520.db2.gz HZVHWIBGXFFFKF-AWEZNQCLSA-N 1 1 381.392 3.759 20 5 GHBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC[C@@H]2N1 ZINC001330864944 1051132664 /nfs/dbraw/zinc/13/26/64/1051132664.db2.gz DFAATZLHSDODNH-LRDDRELGSA-N 1 1 389.839 3.609 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC001343979492 1054156413 /nfs/dbraw/zinc/15/64/13/1054156413.db2.gz VEVQLFSTSCBLBD-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[nH+]1 ZINC001345067269 1054882232 /nfs/dbraw/zinc/88/22/32/1054882232.db2.gz WXASMZBDPQCGAP-KRWDZBQOSA-N 1 1 398.463 3.802 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001319375352 1055211631 /nfs/dbraw/zinc/21/16/31/1055211631.db2.gz SMGOLSMFLCSQKY-VGOFRKELSA-N 1 1 395.459 3.943 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001319375352 1055211641 /nfs/dbraw/zinc/21/16/41/1055211641.db2.gz SMGOLSMFLCSQKY-VGOFRKELSA-N 1 1 395.459 3.943 20 5 GHBDMO Cc1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Br)CC2)n[nH]1 ZINC001320530659 1055862370 /nfs/dbraw/zinc/86/23/70/1055862370.db2.gz ACSUETFGXOPWQA-UHFFFAOYSA-N 1 1 379.258 3.768 20 5 GHBDMO Cc1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Br)CC2)[nH]n1 ZINC001320530659 1055862389 /nfs/dbraw/zinc/86/23/89/1055862389.db2.gz ACSUETFGXOPWQA-UHFFFAOYSA-N 1 1 379.258 3.768 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001320780149 1055958458 /nfs/dbraw/zinc/95/84/58/1055958458.db2.gz XPMRYIDFQZFSLW-NVXWUHKLSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001320780149 1055958462 /nfs/dbraw/zinc/95/84/62/1055958462.db2.gz XPMRYIDFQZFSLW-NVXWUHKLSA-N 1 1 392.818 3.954 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001354513243 1056730031 /nfs/dbraw/zinc/73/00/31/1056730031.db2.gz BNQVZJMOGOKDGX-GOSISDBHSA-N 1 1 397.475 3.903 20 5 GHBDMO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2ccsc2c(=O)[nH]1 ZINC001322836346 1056863625 /nfs/dbraw/zinc/86/36/25/1056863625.db2.gz JCRKOAINWKTBQA-UHFFFAOYSA-N 1 1 388.449 3.596 20 5 GHBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2ccsc2c(=O)[nH]1 ZINC001322836346 1056863634 /nfs/dbraw/zinc/86/36/34/1056863634.db2.gz JCRKOAINWKTBQA-UHFFFAOYSA-N 1 1 388.449 3.596 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848480610 1057117671 /nfs/dbraw/zinc/11/76/71/1057117671.db2.gz RJHQPBWWNZWJFS-MRXNPFEDSA-N 1 1 378.432 3.914 20 5 GHBDMO C[N@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)CC1(c2ccccc2)CC1 ZINC000848484595 1057120849 /nfs/dbraw/zinc/12/08/49/1057120849.db2.gz OQSDOQKARYKVCR-FQEVSTJZSA-N 1 1 379.460 3.532 20 5 GHBDMO C[N@@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)CC1(c2ccccc2)CC1 ZINC000848484595 1057120852 /nfs/dbraw/zinc/12/08/52/1057120852.db2.gz OQSDOQKARYKVCR-FQEVSTJZSA-N 1 1 379.460 3.532 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001326489853 1057495264 /nfs/dbraw/zinc/49/52/64/1057495264.db2.gz UYOOGYIIUVZJEG-WBVHZDCISA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001326489853 1057495277 /nfs/dbraw/zinc/49/52/77/1057495277.db2.gz UYOOGYIIUVZJEG-WBVHZDCISA-N 1 1 377.803 3.563 20 5 GHBDMO Cc1cccc(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001440041785 1058398299 /nfs/dbraw/zinc/39/82/99/1058398299.db2.gz BSXAHSVWIVIPJC-AABGKKOBSA-N 1 1 393.487 3.934 20 5 GHBDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001451524401 1060789933 /nfs/dbraw/zinc/78/99/33/1060789933.db2.gz GGFMVYXTMGBVTH-XHDPSFHLSA-N 1 1 391.365 3.576 20 5 GHBDMO C[N@@H+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C[C@@H]1C(C)(C)C ZINC001452611906 1060972827 /nfs/dbraw/zinc/97/28/27/1060972827.db2.gz RLUYWPQUDMRDKM-LLVKDONJSA-N 1 1 392.258 3.843 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C[C@@H]1C(C)(C)C ZINC001452611906 1060972829 /nfs/dbraw/zinc/97/28/29/1060972829.db2.gz RLUYWPQUDMRDKM-LLVKDONJSA-N 1 1 392.258 3.843 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435701283 1062865433 /nfs/dbraw/zinc/86/54/33/1062865433.db2.gz HLCKFKBHYDIVLZ-ZHODDXKCSA-N 1 1 393.487 3.725 20 5 GHBDMO Cc1cccc(C[NH+]2CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)CC2)c1 ZINC001435835799 1062954893 /nfs/dbraw/zinc/95/48/93/1062954893.db2.gz GTDIIOMZEZSNLD-UHFFFAOYSA-N 1 1 393.487 3.669 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001348258469 1062969441 /nfs/dbraw/zinc/96/94/41/1062969441.db2.gz FDRQOJMSLAKMBE-PBHICJAKSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001348258469 1062969445 /nfs/dbraw/zinc/96/94/45/1062969445.db2.gz FDRQOJMSLAKMBE-PBHICJAKSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1C[C@@H](CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)[C@H](c2ccccc2)C1 ZINC001458451866 1063816541 /nfs/dbraw/zinc/81/65/41/1063816541.db2.gz DPUZCJOIPBTRLW-PBHICJAKSA-N 1 1 397.866 3.949 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC001458870768 1063952789 /nfs/dbraw/zinc/95/27/89/1063952789.db2.gz CCMDDUTXLFDAOG-LSDHHAIUSA-N 1 1 386.477 3.560 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC001458870768 1063952793 /nfs/dbraw/zinc/95/27/93/1063952793.db2.gz CCMDDUTXLFDAOG-LSDHHAIUSA-N 1 1 386.477 3.560 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001438200153 1064005155 /nfs/dbraw/zinc/00/51/55/1064005155.db2.gz XBXWSVAXPWAEBX-OAHLLOKOSA-N 1 1 385.489 3.836 20 5 GHBDMO COc1cccc(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001438357669 1064041882 /nfs/dbraw/zinc/04/18/82/1064041882.db2.gz ISCIYIGIKWONNI-SFHVURJKSA-N 1 1 397.475 3.778 20 5 GHBDMO Cc1cccc(OC[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C(C)C)c1 ZINC001459551335 1064124952 /nfs/dbraw/zinc/12/49/52/1064124952.db2.gz PQQUJMWNFXWLEQ-GOSISDBHSA-N 1 1 376.428 3.693 20 5 GHBDMO Cc1cccc(OC[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C(C)C)c1 ZINC001459551335 1064124956 /nfs/dbraw/zinc/12/49/56/1064124956.db2.gz PQQUJMWNFXWLEQ-GOSISDBHSA-N 1 1 376.428 3.693 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C2CCCCC2)cc1OC ZINC001459785485 1064216721 /nfs/dbraw/zinc/21/67/21/1064216721.db2.gz JUGHCOPXUSBQLY-UHFFFAOYSA-N 1 1 388.468 3.680 20 5 GHBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001464385988 1064981971 /nfs/dbraw/zinc/98/19/71/1064981971.db2.gz UNNLDSRFUIWHDO-UHFFFAOYSA-N 1 1 391.487 3.781 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001465072606 1065372618 /nfs/dbraw/zinc/37/26/18/1065372618.db2.gz BUKDSYPNLYBTBF-OAHLLOKOSA-N 1 1 386.477 3.737 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001466376544 1066122135 /nfs/dbraw/zinc/12/21/35/1066122135.db2.gz OHVRLLBYUVJJQN-MAUKXSAKSA-N 1 1 398.463 3.778 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001466752408 1066294581 /nfs/dbraw/zinc/29/45/81/1066294581.db2.gz DALBMBHCFPHAAF-MRXNPFEDSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001466752408 1066294598 /nfs/dbraw/zinc/29/45/98/1066294598.db2.gz DALBMBHCFPHAAF-MRXNPFEDSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[C@@H](C)C1 ZINC001468771816 1067875099 /nfs/dbraw/zinc/87/50/99/1067875099.db2.gz YLBZLBZADPMMBW-INIZCTEOSA-N 1 1 383.448 3.943 20 5 GHBDMO CCOc1cc(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001460258730 1068889163 /nfs/dbraw/zinc/88/91/63/1068889163.db2.gz QYRTVIYJQRAZTH-GOEBONIOSA-N 1 1 378.469 3.793 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN([C@@H](C)c2ccccc2)CC1 ZINC001460709158 1069108978 /nfs/dbraw/zinc/10/89/78/1069108978.db2.gz VQGVBUGEVOVYLZ-SFHVURJKSA-N 1 1 396.491 3.611 20 5 GHBDMO Cc1c(CNC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC001478429587 1078865318 /nfs/dbraw/zinc/86/53/18/1078865318.db2.gz NAZGGRNXEHJRII-HXUWFJFHSA-N 1 1 398.507 3.859 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC001471142671 1072940173 /nfs/dbraw/zinc/94/01/73/1072940173.db2.gz ARTWAWKMISDDTJ-SFHVURJKSA-N 1 1 396.491 3.712 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C2)cc1 ZINC001471316393 1073015561 /nfs/dbraw/zinc/01/55/61/1073015561.db2.gz RSSDDBKEVQJDST-OAHLLOKOSA-N 1 1 391.830 3.700 20 5 GHBDMO C[C@@H]1[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001472799167 1073671049 /nfs/dbraw/zinc/67/10/49/1073671049.db2.gz LDDBIYSPLIQVFK-RDTXWAMCSA-N 1 1 380.423 3.779 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC001472851994 1073693805 /nfs/dbraw/zinc/69/38/05/1073693805.db2.gz SHMWJHPVSRPTBW-SJLPKXTDSA-N 1 1 376.460 3.745 20 5 GHBDMO CSc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC001473121977 1073789821 /nfs/dbraw/zinc/78/98/21/1073789821.db2.gz LXNACGLDIGTOLE-GOSISDBHSA-N 1 1 390.505 3.967 20 5 GHBDMO Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001473133979 1073797303 /nfs/dbraw/zinc/79/73/03/1073797303.db2.gz JSVCVOZVSDPNJH-PMACEKPBSA-N 1 1 384.476 3.598 20 5 GHBDMO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001473334348 1073925073 /nfs/dbraw/zinc/92/50/73/1073925073.db2.gz PIPGSSDZPQMNPR-HOTGVXAUSA-N 1 1 393.484 3.693 20 5 GHBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001473334348 1073925076 /nfs/dbraw/zinc/92/50/76/1073925076.db2.gz PIPGSSDZPQMNPR-HOTGVXAUSA-N 1 1 393.484 3.693 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001473463796 1073978425 /nfs/dbraw/zinc/97/84/25/1073978425.db2.gz WUQIPCVMFMNATE-GOSISDBHSA-N 1 1 391.830 3.667 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001473463796 1073978429 /nfs/dbraw/zinc/97/84/29/1073978429.db2.gz WUQIPCVMFMNATE-GOSISDBHSA-N 1 1 391.830 3.667 20 5 GHBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001473558608 1074015655 /nfs/dbraw/zinc/01/56/55/1074015655.db2.gz LLBSMWUFVKEBQW-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CC(C)[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001473645069 1074064695 /nfs/dbraw/zinc/06/46/95/1074064695.db2.gz JELLPAWFIJMZDZ-OAQYLSRUSA-N 1 1 393.491 3.814 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(NC(=O)c3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] ZINC001473689660 1074088748 /nfs/dbraw/zinc/08/87/48/1074088748.db2.gz ZABBOUYCXHCDFA-UHFFFAOYSA-N 1 1 397.475 3.696 20 5 GHBDMO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(F)ccc1OC ZINC001473814057 1074156855 /nfs/dbraw/zinc/15/68/55/1074156855.db2.gz XHJRXQOXSMBSIW-QZTJIDSGSA-N 1 1 387.411 3.589 20 5 GHBDMO CCc1ccc2c(c1)CC[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC001473900421 1074196747 /nfs/dbraw/zinc/19/67/47/1074196747.db2.gz ATBNZKGSWGDCGM-UHFFFAOYSA-N 1 1 381.432 3.514 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC001474338617 1074350898 /nfs/dbraw/zinc/35/08/98/1074350898.db2.gz XKZPGDFVKDMBBI-UHFFFAOYSA-N 1 1 396.447 3.764 20 5 GHBDMO O=[N+]([O-])c1sc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cc1Br ZINC001474630764 1074491080 /nfs/dbraw/zinc/49/10/80/1074491080.db2.gz SVHDPXIHFXXEHD-GFCCVEGCSA-N 1 1 388.331 3.915 20 5 GHBDMO O=[N+]([O-])c1sc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc1Br ZINC001474630764 1074491086 /nfs/dbraw/zinc/49/10/86/1074491086.db2.gz SVHDPXIHFXXEHD-GFCCVEGCSA-N 1 1 388.331 3.915 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001476324210 1075124873 /nfs/dbraw/zinc/12/48/73/1075124873.db2.gz AWJMENCGBSMZAP-NWDGAFQWSA-N 1 1 388.390 3.856 20 5 GHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nn2)ccc1Cl ZINC001164774526 721301405 /nfs/dbraw/zinc/30/14/05/721301405.db2.gz DZOCRGFPKIRGFO-UHFFFAOYSA-N 1 1 399.882 3.627 20 5 GHBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000580846469 837414981 /nfs/dbraw/zinc/41/49/81/837414981.db2.gz MQTPAZPCOLWPEY-GHTZIAJQSA-N 1 1 381.476 3.787 20 5 GHBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000580846469 837414985 /nfs/dbraw/zinc/41/49/85/837414985.db2.gz MQTPAZPCOLWPEY-GHTZIAJQSA-N 1 1 381.476 3.787 20 5 GHBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000581218207 837483493 /nfs/dbraw/zinc/48/34/93/837483493.db2.gz OPJLNFXCSMLZAO-CVEARBPZSA-N 1 1 387.505 3.618 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](Cn4ccnn4)C3)s2)cc1 ZINC000180798372 837562490 /nfs/dbraw/zinc/56/24/90/837562490.db2.gz RTLCAMCURRBQHF-OAHLLOKOSA-N 1 1 383.477 3.827 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000536033050 834425133 /nfs/dbraw/zinc/42/51/33/834425133.db2.gz XGOFPIVVXSIJON-INIZCTEOSA-N 1 1 379.338 3.530 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000536033050 834425139 /nfs/dbraw/zinc/42/51/39/834425139.db2.gz XGOFPIVVXSIJON-INIZCTEOSA-N 1 1 379.338 3.530 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000510067907 834815779 /nfs/dbraw/zinc/81/57/79/834815779.db2.gz BGPFWVTZYYPEJX-DOTOQJQBSA-N 1 1 385.439 3.764 20 5 GHBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000510072165 834868267 /nfs/dbraw/zinc/86/82/67/834868267.db2.gz UDVVCFUJWMWQHB-KRWDZBQOSA-N 1 1 379.416 3.735 20 5 GHBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](COC)Cc1ccccc1 ZINC000472330441 834948892 /nfs/dbraw/zinc/94/88/92/834948892.db2.gz SFYOYENTGYOPEM-IBGZPJMESA-N 1 1 396.447 3.724 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510087848 835060391 /nfs/dbraw/zinc/06/03/91/835060391.db2.gz RVOCKPBKLYPJHA-IEBWSBKVSA-N 1 1 381.476 3.934 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472333338 835048205 /nfs/dbraw/zinc/04/82/05/835048205.db2.gz BWJGSUKPZRKVDQ-SOLBZPMBSA-N 1 1 397.475 3.884 20 5 GHBDMO O=C(C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000433322077 844014787 /nfs/dbraw/zinc/01/47/87/844014787.db2.gz PGUNJXWEJOYNFZ-MRXNPFEDSA-N 1 1 385.851 3.627 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000433322077 844014793 /nfs/dbraw/zinc/01/47/93/844014793.db2.gz PGUNJXWEJOYNFZ-MRXNPFEDSA-N 1 1 385.851 3.627 20 5 GHBDMO CSc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188132420 835372000 /nfs/dbraw/zinc/37/20/00/835372000.db2.gz JACBGDYPPOHOEI-KRWDZBQOSA-N 1 1 399.516 3.611 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000254966695 835424437 /nfs/dbraw/zinc/42/44/37/835424437.db2.gz VFNNVBGOHSPPGR-FTGOQEHGSA-N 1 1 379.460 3.777 20 5 GHBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000512527407 844061695 /nfs/dbraw/zinc/06/16/95/844061695.db2.gz RPNIRXPJDCUMLT-QGZVFWFLSA-N 1 1 385.464 3.983 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612131474 835581534 /nfs/dbraw/zinc/58/15/34/835581534.db2.gz BZYITHRKUQTSPO-KSEOMHKRSA-N 1 1 393.487 3.554 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000255001019 835673290 /nfs/dbraw/zinc/67/32/90/835673290.db2.gz SALRFIQRTIQLTQ-ZINDKQITSA-N 1 1 385.489 3.869 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179462015 835717129 /nfs/dbraw/zinc/71/71/29/835717129.db2.gz AWSQIWZLADZYGC-LEWJYISDSA-N 1 1 396.491 3.960 20 5 GHBDMO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000154694142 835942821 /nfs/dbraw/zinc/94/28/21/835942821.db2.gz CTIGYJWYHPZHME-CMJOXMDJSA-N 1 1 397.294 3.567 20 5 GHBDMO COc1ccc(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510145194 835945891 /nfs/dbraw/zinc/94/58/91/835945891.db2.gz JARUAIGZQOSRNU-AEFFLSMTSA-N 1 1 397.475 3.634 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)Cc1ccsc1 ZINC000411573799 836217628 /nfs/dbraw/zinc/21/76/28/836217628.db2.gz UBMSZNDPIJCYLZ-CQSZACIVSA-N 1 1 391.493 3.947 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)c([N+](=O)[O-])c1 ZINC000411621332 836244952 /nfs/dbraw/zinc/24/49/52/836244952.db2.gz RACIICYTWYJVCF-AWEZNQCLSA-N 1 1 389.374 3.595 20 5 GHBDMO O=C([C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1)N1CCCC1 ZINC000582328390 836279980 /nfs/dbraw/zinc/27/99/80/836279980.db2.gz WWHNKTFQAMPINH-INIZCTEOSA-N 1 1 385.489 3.768 20 5 GHBDMO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCS1 ZINC000180172234 836466166 /nfs/dbraw/zinc/46/61/66/836466166.db2.gz OFIDLXTXZCQXNV-GFCCVEGCSA-N 1 1 376.425 3.575 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCS1 ZINC000180172234 836466171 /nfs/dbraw/zinc/46/61/71/836466171.db2.gz OFIDLXTXZCQXNV-GFCCVEGCSA-N 1 1 376.425 3.575 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000548952684 836558463 /nfs/dbraw/zinc/55/84/63/836558463.db2.gz SLCMRQBHIXAZLF-WBVHZDCISA-N 1 1 383.448 3.559 20 5 GHBDMO C[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000180192415 836600264 /nfs/dbraw/zinc/60/02/64/836600264.db2.gz MBQMYOAFVACKPU-MRXNPFEDSA-N 1 1 381.226 3.574 20 5 GHBDMO Cc1nc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000610774693 844182449 /nfs/dbraw/zinc/18/24/49/844182449.db2.gz WAQQNQFXGQCAOW-OAHLLOKOSA-N 1 1 398.463 3.804 20 5 GHBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000510192952 836718116 /nfs/dbraw/zinc/71/81/16/836718116.db2.gz MMAACULVWVOLTK-MRXNPFEDSA-N 1 1 398.381 3.794 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000092072731 836899750 /nfs/dbraw/zinc/89/97/50/836899750.db2.gz MVAAEUBGUNTDFD-AWEZNQCLSA-N 1 1 382.420 3.966 20 5 GHBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000170912660 836935060 /nfs/dbraw/zinc/93/50/60/836935060.db2.gz CYEPYSUALARTGO-WBAXXEDZSA-N 1 1 399.447 3.598 20 5 GHBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000473357282 844237143 /nfs/dbraw/zinc/23/71/43/844237143.db2.gz AQPMUTJJGUSQIP-CQSZACIVSA-N 1 1 375.375 3.724 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000580057107 837237707 /nfs/dbraw/zinc/23/77/07/837237707.db2.gz WFJKBYBFIPAMAX-OAQYLSRUSA-N 1 1 393.491 3.659 20 5 GHBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000580478824 837351778 /nfs/dbraw/zinc/35/17/78/837351778.db2.gz AOETWGWNHDPOGO-HNNXBMFYSA-N 1 1 398.246 3.817 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000247233081 837835559 /nfs/dbraw/zinc/83/55/59/837835559.db2.gz SHJCIZGZCQEJMP-WMLDXEAASA-N 1 1 392.477 3.632 20 5 GHBDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000181178845 837864786 /nfs/dbraw/zinc/86/47/86/837864786.db2.gz WKUUSOAGNZMUQM-UHFFFAOYSA-N 1 1 384.480 3.729 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(Nc4ccc(F)cc4)CC3)o2)cc1 ZINC000101561565 837964681 /nfs/dbraw/zinc/96/46/81/837964681.db2.gz KXITYDQFBGQSFV-UHFFFAOYSA-N 1 1 397.410 3.860 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1F ZINC000175812663 838047881 /nfs/dbraw/zinc/04/78/81/838047881.db2.gz POMURJUDQBSAMT-UHFFFAOYSA-N 1 1 388.786 3.811 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610297186 838201765 /nfs/dbraw/zinc/20/17/65/838201765.db2.gz SSRTYGYRKWIYNZ-HXUWFJFHSA-N 1 1 381.476 3.605 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189323008 838253431 /nfs/dbraw/zinc/25/34/31/838253431.db2.gz VHVKYKQXCJILND-HNNXBMFYSA-N 1 1 383.448 3.594 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000189731421 838389995 /nfs/dbraw/zinc/38/99/95/838389995.db2.gz FRAIUAPTJZBCSV-OAQYLSRUSA-N 1 1 385.464 3.505 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000177660781 838393710 /nfs/dbraw/zinc/39/37/10/838393710.db2.gz OLTMFNLVCFCXRH-UHFFFAOYSA-N 1 1 398.463 3.780 20 5 GHBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181488783 838545794 /nfs/dbraw/zinc/54/57/94/838545794.db2.gz UIKYTBYUSZLDNN-STQMWFEESA-N 1 1 399.413 3.996 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000066813007 838954442 /nfs/dbraw/zinc/95/44/42/838954442.db2.gz BSJZRSDXWKQFOS-UHFFFAOYSA-N 1 1 385.493 3.652 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365794770 838985561 /nfs/dbraw/zinc/98/55/61/838985561.db2.gz LDZJLJUJFUJCBG-ZJUUUORDSA-N 1 1 380.317 3.683 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000053181982 839066459 /nfs/dbraw/zinc/06/64/59/839066459.db2.gz RCAMLDVZBGACNK-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1[N+](=O)[O-] ZINC000175798180 839122612 /nfs/dbraw/zinc/12/26/12/839122612.db2.gz PFHFPSQVPYEOON-ZDUSSCGKSA-N 1 1 380.404 3.589 20 5 GHBDMO CC(C)[C@H](NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000549169001 839139415 /nfs/dbraw/zinc/13/94/15/839139415.db2.gz RFWAJENVONPFNA-NRFANRHFSA-N 1 1 387.455 3.722 20 5 GHBDMO CC(C)[C@H](NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000549169001 839139417 /nfs/dbraw/zinc/13/94/17/839139417.db2.gz RFWAJENVONPFNA-NRFANRHFSA-N 1 1 387.455 3.722 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)s1 ZINC000183273590 839265484 /nfs/dbraw/zinc/26/54/84/839265484.db2.gz WZPXPBQFRKETQS-UHFFFAOYSA-N 1 1 388.489 3.952 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000398098440 844423963 /nfs/dbraw/zinc/42/39/63/844423963.db2.gz RPWOJBPNZMWLRE-LIRRHRJNSA-N 1 1 387.867 3.889 20 5 GHBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275861505 839355186 /nfs/dbraw/zinc/35/51/86/839355186.db2.gz YSFFTMNRNKNUGX-CYBMUJFWSA-N 1 1 399.441 3.786 20 5 GHBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275924551 839886960 /nfs/dbraw/zinc/88/69/60/839886960.db2.gz GXGSDCNWDVDUEP-IERDGZPVSA-N 1 1 375.472 3.650 20 5 GHBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160621154 840133774 /nfs/dbraw/zinc/13/37/74/840133774.db2.gz KVKSXVSEGGDSKG-BYICEURKSA-N 1 1 375.469 3.957 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503039 844525031 /nfs/dbraw/zinc/52/50/31/844525031.db2.gz BVCVSISAVJMYAS-QHCPKHFHSA-N 1 1 393.487 3.652 20 5 GHBDMO COc1ccc(CC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000109964785 840445609 /nfs/dbraw/zinc/44/56/09/840445609.db2.gz JQHVZFIKBZMTFM-MRXNPFEDSA-N 1 1 397.475 3.885 20 5 GHBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000580985175 840559198 /nfs/dbraw/zinc/55/91/98/840559198.db2.gz QUIOSSAARFFLPG-FQEVSTJZSA-N 1 1 396.491 3.696 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000511768393 840701955 /nfs/dbraw/zinc/70/19/55/840701955.db2.gz GLCPSEIEWIOHHH-UHFFFAOYSA-N 1 1 389.402 3.576 20 5 GHBDMO COCCn1cc2c(n1)[C@H]([NH2+][C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000417340702 840730365 /nfs/dbraw/zinc/73/03/65/840730365.db2.gz KFCMKZVOSPNWEW-VQTJNVASSA-N 1 1 384.480 3.872 20 5 GHBDMO Cc1c(C[N@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000111057233 840992605 /nfs/dbraw/zinc/99/26/05/840992605.db2.gz PRRGXZKRFJSGPN-SFHVURJKSA-N 1 1 383.492 3.626 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584867199 841131252 /nfs/dbraw/zinc/13/12/52/841131252.db2.gz ACZJNWUITZDNAV-OALUTQOASA-N 1 1 394.475 3.889 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584867195 841131574 /nfs/dbraw/zinc/13/15/74/841131574.db2.gz ACZJNWUITZDNAV-MOPGFXCFSA-N 1 1 394.475 3.889 20 5 GHBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000610370703 841290105 /nfs/dbraw/zinc/29/01/05/841290105.db2.gz JAALVHPWCJSGHP-ZDUSSCGKSA-N 1 1 393.431 3.669 20 5 GHBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000610370703 841290115 /nfs/dbraw/zinc/29/01/15/841290115.db2.gz JAALVHPWCJSGHP-ZDUSSCGKSA-N 1 1 393.431 3.669 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000181630213 841357660 /nfs/dbraw/zinc/35/76/60/841357660.db2.gz QEJXNUZJVGKLTI-PBHICJAKSA-N 1 1 377.510 3.652 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000500123827 841478658 /nfs/dbraw/zinc/47/86/58/841478658.db2.gz MKDQSEAXDUXWAW-INIZCTEOSA-N 1 1 398.463 3.663 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000599433944 861205070 /nfs/dbraw/zinc/20/50/70/861205070.db2.gz NPPQVMDEUANELC-UHFFFAOYSA-N 1 1 397.475 3.649 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500148218 841518150 /nfs/dbraw/zinc/51/81/50/841518150.db2.gz JZXMXTNVPLDBAH-QFBILLFUSA-N 1 1 381.476 3.509 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000555544610 861211655 /nfs/dbraw/zinc/21/16/55/861211655.db2.gz VXYJRVVAACYRTL-HNNXBMFYSA-N 1 1 397.258 3.700 20 5 GHBDMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276327751 841584858 /nfs/dbraw/zinc/58/48/58/841584858.db2.gz QIRWTEMHZMGERR-UHFFFAOYSA-N 1 1 375.375 3.724 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001167752130 841759425 /nfs/dbraw/zinc/75/94/25/841759425.db2.gz SHYGADKTFXLNQB-MRXNPFEDSA-N 1 1 397.479 3.919 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2CCO)cc1OC ZINC000541985236 842062487 /nfs/dbraw/zinc/06/24/87/842062487.db2.gz XSZICPJCHWRCRP-WBVHZDCISA-N 1 1 380.485 3.765 20 5 GHBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126818670 842131198 /nfs/dbraw/zinc/13/11/98/842131198.db2.gz NCBSIMWHWNQUFW-IFXJQAMLSA-N 1 1 387.411 3.525 20 5 GHBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126818670 842131201 /nfs/dbraw/zinc/13/12/01/842131201.db2.gz NCBSIMWHWNQUFW-IFXJQAMLSA-N 1 1 387.411 3.525 20 5 GHBDMO COc1cc(C[NH+]2CC(Cc3cccs3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600215017 861292599 /nfs/dbraw/zinc/29/25/99/861292599.db2.gz IYBQXLKLSQDWMW-UHFFFAOYSA-N 1 1 398.431 3.983 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3Cc3ccc(F)cc3)n2)cc1 ZINC000055908039 842288126 /nfs/dbraw/zinc/28/81/26/842288126.db2.gz SWJJICRHMDDIMM-GOSISDBHSA-N 1 1 382.395 3.991 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000599533595 861298670 /nfs/dbraw/zinc/29/86/70/861298670.db2.gz OOTQNVAFXJIOQK-UHFFFAOYSA-N 1 1 384.461 3.976 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000112657366 842357987 /nfs/dbraw/zinc/35/79/87/842357987.db2.gz LGGUFBCFXCYTCV-NRFANRHFSA-N 1 1 399.491 3.751 20 5 GHBDMO CC(C)[C@@H](CO)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000112657337 842358064 /nfs/dbraw/zinc/35/80/64/842358064.db2.gz HCSDVXRWSOGRCZ-LJQANCHMSA-N 1 1 396.447 3.664 20 5 GHBDMO CC(C)[C@@H](CO)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000112657337 842358078 /nfs/dbraw/zinc/35/80/78/842358078.db2.gz HCSDVXRWSOGRCZ-LJQANCHMSA-N 1 1 396.447 3.664 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000600230616 861317933 /nfs/dbraw/zinc/31/79/33/861317933.db2.gz WTTYBXCVZGUHEM-ZDUSSCGKSA-N 1 1 385.386 3.750 20 5 GHBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000512113550 842540314 /nfs/dbraw/zinc/54/03/14/842540314.db2.gz LMIZJJKUWBWJJR-MRXNPFEDSA-N 1 1 394.475 3.587 20 5 GHBDMO COC(=O)c1cnc(C2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000599555505 861329986 /nfs/dbraw/zinc/32/99/86/861329986.db2.gz NOBKVGUUPKGRRA-GFCCVEGCSA-N 1 1 375.450 3.779 20 5 GHBDMO C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+]1CCC[C@H](C)C1 ZINC000581923233 842698935 /nfs/dbraw/zinc/69/89/35/842698935.db2.gz IWHFPDPDOFBWAL-JKSUJKDBSA-N 1 1 377.488 3.532 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600229025 861350784 /nfs/dbraw/zinc/35/07/84/861350784.db2.gz NPPGZXAVBCKJIB-WMLDXEAASA-N 1 1 377.510 3.599 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCSC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000430769555 842959247 /nfs/dbraw/zinc/95/92/47/842959247.db2.gz WFEVCHHWHOCBNF-AWEZNQCLSA-N 1 1 393.509 3.682 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCSC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000430769555 842959250 /nfs/dbraw/zinc/95/92/50/842959250.db2.gz WFEVCHHWHOCBNF-AWEZNQCLSA-N 1 1 393.509 3.682 20 5 GHBDMO Cc1c(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cccc1[N+](=O)[O-] ZINC000467038441 843116287 /nfs/dbraw/zinc/11/62/87/843116287.db2.gz NXQDVEUBQKSSNP-UHFFFAOYSA-N 1 1 392.253 3.980 20 5 GHBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000510676441 843172320 /nfs/dbraw/zinc/17/23/20/843172320.db2.gz XSKIKXWKKSZRHI-OAHLLOKOSA-N 1 1 383.477 3.831 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549607332 843471465 /nfs/dbraw/zinc/47/14/65/843471465.db2.gz QJNZFYGJMHCGON-XQQFMLRXSA-N 1 1 387.402 3.710 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000610676688 843510571 /nfs/dbraw/zinc/51/05/71/843510571.db2.gz XLZDXMLDCVXSBO-QGZVFWFLSA-N 1 1 382.464 3.572 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000610676688 843510577 /nfs/dbraw/zinc/51/05/77/843510577.db2.gz XLZDXMLDCVXSBO-QGZVFWFLSA-N 1 1 382.464 3.572 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000105445556 843626000 /nfs/dbraw/zinc/62/60/00/843626000.db2.gz HDEBDEXTMVCLDX-UHFFFAOYSA-N 1 1 379.416 3.867 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1[N+](=O)[O-] ZINC000276886678 843639069 /nfs/dbraw/zinc/63/90/69/843639069.db2.gz JKZCEMVCGKKUGV-QGZVFWFLSA-N 1 1 399.495 3.691 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccc(C)s2)C(C)C)c([N+](=O)[O-])c1 ZINC000065162193 844672096 /nfs/dbraw/zinc/67/20/96/844672096.db2.gz KVOKCFSQWSJJFH-UHFFFAOYSA-N 1 1 377.466 3.822 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(C)s2)C(C)C)c([N+](=O)[O-])c1 ZINC000065162193 844672103 /nfs/dbraw/zinc/67/21/03/844672103.db2.gz KVOKCFSQWSJJFH-UHFFFAOYSA-N 1 1 377.466 3.822 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000729047794 844699462 /nfs/dbraw/zinc/69/94/62/844699462.db2.gz XJYSISOQQMWTHK-IAGOWNOFSA-N 1 1 376.501 3.635 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000176190763 844746549 /nfs/dbraw/zinc/74/65/49/844746549.db2.gz RDXWDONLTYEOQK-ZDUSSCGKSA-N 1 1 380.404 3.589 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000599681762 861521689 /nfs/dbraw/zinc/52/16/89/861521689.db2.gz ZYBCHLFFDHBFBU-HIFRSBDPSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000599681762 861521700 /nfs/dbraw/zinc/52/17/00/861521700.db2.gz ZYBCHLFFDHBFBU-HIFRSBDPSA-N 1 1 387.411 3.559 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433061714 845108650 /nfs/dbraw/zinc/10/86/50/845108650.db2.gz QIVILYPGLKBBSI-KRWDZBQOSA-N 1 1 383.448 3.812 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433061714 845108656 /nfs/dbraw/zinc/10/86/56/845108656.db2.gz QIVILYPGLKBBSI-KRWDZBQOSA-N 1 1 383.448 3.812 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000433827489 845444623 /nfs/dbraw/zinc/44/46/23/845444623.db2.gz ZIRLENINVWOMHP-OAHLLOKOSA-N 1 1 399.495 3.746 20 5 GHBDMO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000611560796 845449822 /nfs/dbraw/zinc/44/98/22/845449822.db2.gz YNKINUPJHOGRLH-IPMKNSEASA-N 1 1 386.496 3.991 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000843812709 861568589 /nfs/dbraw/zinc/56/85/89/861568589.db2.gz YVDFGTHJUUQTFD-OAHLLOKOSA-N 1 1 385.439 3.779 20 5 GHBDMO C[N@@H+](CCc1cccc2ccccc21)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000303191108 861575770 /nfs/dbraw/zinc/57/57/70/861575770.db2.gz ZGUCKEXBWMOGTC-HXUWFJFHSA-N 1 1 380.444 3.662 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000604016193 861587370 /nfs/dbraw/zinc/58/73/70/861587370.db2.gz KEEXQJWSLVTNCZ-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000604016193 861587378 /nfs/dbraw/zinc/58/73/78/861587378.db2.gz KEEXQJWSLVTNCZ-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000071941821 845892215 /nfs/dbraw/zinc/89/22/15/845892215.db2.gz BQOXJQNNYDVTRW-OAHLLOKOSA-N 1 1 379.526 3.798 20 5 GHBDMO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511061381 846174229 /nfs/dbraw/zinc/17/42/29/846174229.db2.gz ALJGTYGCFKTRHU-UHFFFAOYSA-N 1 1 393.846 3.520 20 5 GHBDMO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511061381 846174235 /nfs/dbraw/zinc/17/42/35/846174235.db2.gz ALJGTYGCFKTRHU-UHFFFAOYSA-N 1 1 393.846 3.520 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000576892527 846235898 /nfs/dbraw/zinc/23/58/98/846235898.db2.gz FWHHVHCAHZBHCR-UHFFFAOYSA-N 1 1 397.500 3.914 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280261732 846344748 /nfs/dbraw/zinc/34/47/48/846344748.db2.gz XTYVBKMRNVDQCG-AEFFLSMTSA-N 1 1 397.475 3.634 20 5 GHBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000119845291 846372264 /nfs/dbraw/zinc/37/22/64/846372264.db2.gz PLTIQVCYFRERGP-UHFFFAOYSA-N 1 1 396.422 3.563 20 5 GHBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000119845291 846372275 /nfs/dbraw/zinc/37/22/75/846372275.db2.gz PLTIQVCYFRERGP-UHFFFAOYSA-N 1 1 396.422 3.563 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501026379 846561546 /nfs/dbraw/zinc/56/15/46/846561546.db2.gz SDFXAZRRNVUMHL-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501026379 846561552 /nfs/dbraw/zinc/56/15/52/846561552.db2.gz SDFXAZRRNVUMHL-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511090056 846575389 /nfs/dbraw/zinc/57/53/89/846575389.db2.gz HTCMHOCVMCKPOT-CYBMUJFWSA-N 1 1 393.390 3.698 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511090056 846575392 /nfs/dbraw/zinc/57/53/92/846575392.db2.gz HTCMHOCVMCKPOT-CYBMUJFWSA-N 1 1 393.390 3.698 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000501114207 846662110 /nfs/dbraw/zinc/66/21/10/846662110.db2.gz CTORYBXISMVBFG-QGZVFWFLSA-N 1 1 397.431 3.532 20 5 GHBDMO Cc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(N2CCCC2)[nH+]1 ZINC000611582839 846711697 /nfs/dbraw/zinc/71/16/97/846711697.db2.gz MVTMKEAQDJINEA-UHFFFAOYSA-N 1 1 380.404 3.575 20 5 GHBDMO CC[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000604075466 861712484 /nfs/dbraw/zinc/71/24/84/861712484.db2.gz UKPNONLKROJMIA-JXFKEZNVSA-N 1 1 396.491 3.792 20 5 GHBDMO CC[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[N@H+]1CCc2ccccc2C1 ZINC000501347000 846859317 /nfs/dbraw/zinc/85/93/17/846859317.db2.gz KHEDDZXNBREGAE-KRWDZBQOSA-N 1 1 398.463 3.562 20 5 GHBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000503166967 846884570 /nfs/dbraw/zinc/88/45/70/846884570.db2.gz MRVMSMMOJUCMMR-ZIAGYGMSSA-N 1 1 379.420 3.663 20 5 GHBDMO C[C@H](O)C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513717285 847012412 /nfs/dbraw/zinc/01/24/12/847012412.db2.gz NTVFIBFXJQAGEK-NBHGPNQESA-N 1 1 394.475 3.562 20 5 GHBDMO COC(=O)c1cnc(Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000478285851 847045156 /nfs/dbraw/zinc/04/51/56/847045156.db2.gz RIMZPPCZAWJJSJ-AWEZNQCLSA-N 1 1 384.436 3.894 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000303548264 861777073 /nfs/dbraw/zinc/77/70/73/861777073.db2.gz VHESLWDXGORBIK-INIZCTEOSA-N 1 1 383.448 3.713 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183389843 847400851 /nfs/dbraw/zinc/40/08/51/847400851.db2.gz VXUDUVRWCBZYCM-GOSISDBHSA-N 1 1 387.411 3.524 20 5 GHBDMO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000731667621 861798777 /nfs/dbraw/zinc/79/87/77/861798777.db2.gz TZVQGXVECHYDNV-HXUWFJFHSA-N 1 1 384.432 3.572 20 5 GHBDMO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000731667621 861798787 /nfs/dbraw/zinc/79/87/87/861798787.db2.gz TZVQGXVECHYDNV-HXUWFJFHSA-N 1 1 384.432 3.572 20 5 GHBDMO C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000604122215 861807591 /nfs/dbraw/zinc/80/75/91/861807591.db2.gz CULUYRQIFBXUCW-SCLBCKFNSA-N 1 1 390.871 3.911 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000303604923 861807769 /nfs/dbraw/zinc/80/77/69/861807769.db2.gz OCLPCOCUPGWTLS-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO Cn1cc(CNC[C@@H](C2CCCCC2)[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237167557 847752022 /nfs/dbraw/zinc/75/20/22/847752022.db2.gz ZNTFTTBMLFTGTN-FQEVSTJZSA-N 1 1 385.512 3.595 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCC[C@@H]3OCc3ccccc3)n2)c1 ZINC000503527428 847758799 /nfs/dbraw/zinc/75/87/99/847758799.db2.gz YVWCXKNGBSJRAN-MOPGFXCFSA-N 1 1 394.431 3.872 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@@H]3OCc3ccccc3)o2)cc1 ZINC000503515903 847763168 /nfs/dbraw/zinc/76/31/68/847763168.db2.gz IXLMHORPBNCIMM-MOPGFXCFSA-N 1 1 394.431 3.872 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000479931271 847953938 /nfs/dbraw/zinc/95/39/38/847953938.db2.gz XMPCLQHTXAHMIN-SFHVURJKSA-N 1 1 394.431 3.861 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277892186 848345832 /nfs/dbraw/zinc/34/58/32/848345832.db2.gz DNHIAJZMNRFBKR-HNNXBMFYSA-N 1 1 384.436 3.612 20 5 GHBDMO C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000612485983 848633348 /nfs/dbraw/zinc/63/33/48/848633348.db2.gz OMZOHGAITDMFJO-SJORKVTESA-N 1 1 399.466 3.960 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1)C1CC1 ZINC000582987121 848819566 /nfs/dbraw/zinc/81/95/66/848819566.db2.gz IMXWIYYPSWBDAB-UHFFFAOYSA-N 1 1 389.402 3.691 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178776124 849066721 /nfs/dbraw/zinc/06/67/21/849066721.db2.gz NXMDXBGJGYPZBQ-JXFKEZNVSA-N 1 1 383.448 3.551 20 5 GHBDMO C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000227112279 862009918 /nfs/dbraw/zinc/00/99/18/862009918.db2.gz NTFSEGLUTNNZLV-IXDOHACOSA-N 1 1 376.501 3.713 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000132348393 862028977 /nfs/dbraw/zinc/02/89/77/862028977.db2.gz QNRYVPUYBUBFLY-FUHWJXTLSA-N 1 1 397.475 3.729 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CC[C@@H]21 ZINC000278223912 849729930 /nfs/dbraw/zinc/72/99/30/849729930.db2.gz SLKYKXBXWAEESD-QRWLVFNGSA-N 1 1 375.472 3.650 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000514529102 849973927 /nfs/dbraw/zinc/97/39/27/849973927.db2.gz ADBKAHKNCLAYFI-HNNXBMFYSA-N 1 1 379.526 3.846 20 5 GHBDMO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@@]4(CNC(=O)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000435054500 850027297 /nfs/dbraw/zinc/02/72/97/850027297.db2.gz CJNPXKJPDWRJEA-OAQYLSRUSA-N 1 1 397.500 3.766 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(S[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000425277242 850066809 /nfs/dbraw/zinc/06/68/09/850066809.db2.gz FDCRLLYWYVIUCM-OAHLLOKOSA-N 1 1 387.461 3.533 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)c([N+](=O)[O-])cc1O ZINC000486798086 850107307 /nfs/dbraw/zinc/10/73/07/850107307.db2.gz GDSKCLULRQFBCC-UHFFFAOYSA-N 1 1 399.378 3.925 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000439907462 850556457 /nfs/dbraw/zinc/55/64/57/850556457.db2.gz BAMXYLLGUVIKPT-UHFFFAOYSA-N 1 1 386.452 3.767 20 5 GHBDMO CCc1ccc(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487311376 850682229 /nfs/dbraw/zinc/68/22/29/850682229.db2.gz CWXGXWOWRXYNJD-UZLBHIALSA-N 1 1 381.476 3.798 20 5 GHBDMO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174811715 850885808 /nfs/dbraw/zinc/88/58/08/850885808.db2.gz CJWSMGODJYCZGB-UHFFFAOYSA-N 1 1 387.867 3.777 20 5 GHBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000604446074 862185979 /nfs/dbraw/zinc/18/59/79/862185979.db2.gz BVLALQVCBQEGFD-GJZGRUSLSA-N 1 1 397.903 3.786 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000438004278 850968977 /nfs/dbraw/zinc/96/89/77/850968977.db2.gz UKHVWBBRYULZDT-MRXNPFEDSA-N 1 1 388.512 3.779 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000506805127 850973575 /nfs/dbraw/zinc/97/35/75/850973575.db2.gz GHCLKXRJQLGQFI-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000506805127 850973589 /nfs/dbraw/zinc/97/35/89/850973589.db2.gz GHCLKXRJQLGQFI-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000515452887 851039835 /nfs/dbraw/zinc/03/98/35/851039835.db2.gz SAIUNHJUPHGKJD-UHFFFAOYSA-N 1 1 395.459 3.660 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000515452887 851039843 /nfs/dbraw/zinc/03/98/43/851039843.db2.gz SAIUNHJUPHGKJD-UHFFFAOYSA-N 1 1 395.459 3.660 20 5 GHBDMO COCC[NH+]1CCC(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000604441950 862208374 /nfs/dbraw/zinc/20/83/74/862208374.db2.gz ACJIPESGMSIKTJ-UHFFFAOYSA-N 1 1 398.507 3.563 20 5 GHBDMO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000425464705 851198910 /nfs/dbraw/zinc/19/89/10/851198910.db2.gz XZLHMHGMLKARMY-WNSKOXEYSA-N 1 1 397.294 3.567 20 5 GHBDMO C[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000436308822 851467898 /nfs/dbraw/zinc/46/78/98/851467898.db2.gz NOPAWFRQSLCKLX-JTQLQIEISA-N 1 1 386.399 3.929 20 5 GHBDMO C[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000436308822 851467916 /nfs/dbraw/zinc/46/79/16/851467916.db2.gz NOPAWFRQSLCKLX-JTQLQIEISA-N 1 1 386.399 3.929 20 5 GHBDMO Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000473763248 851855553 /nfs/dbraw/zinc/85/55/53/851855553.db2.gz IURIHDFTRPHCDL-APWZRJJASA-N 1 1 382.464 3.935 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000132933927 862334629 /nfs/dbraw/zinc/33/46/29/862334629.db2.gz QTBXIGXOUBSSPL-QGZVFWFLSA-N 1 1 388.512 3.923 20 5 GHBDMO COc1cc(C[NH2+]CC2(N(C)C)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000438323230 852268079 /nfs/dbraw/zinc/26/80/79/852268079.db2.gz ISOXPASTIAZHTF-UHFFFAOYSA-N 1 1 399.491 3.756 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438482132 852459209 /nfs/dbraw/zinc/45/92/09/852459209.db2.gz XCUOTBUFXMTHBA-NRFANRHFSA-N 1 1 383.448 3.596 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438482132 852459212 /nfs/dbraw/zinc/45/92/12/852459212.db2.gz XCUOTBUFXMTHBA-NRFANRHFSA-N 1 1 383.448 3.596 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1[N+](=O)[O-] ZINC000489680970 852528098 /nfs/dbraw/zinc/52/80/98/852528098.db2.gz DFHFBCZFDMNSKZ-ZDUSSCGKSA-N 1 1 398.385 3.735 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000489896827 852631062 /nfs/dbraw/zinc/63/10/62/852631062.db2.gz GGWPTOSAQQTTRV-IAGOWNOFSA-N 1 1 376.501 3.918 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000490005100 852700953 /nfs/dbraw/zinc/70/09/53/852700953.db2.gz OPFUZKCQAFEIQJ-YOEHRIQHSA-N 1 1 386.427 3.999 20 5 GHBDMO COCCOc1ccccc1N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000489978557 852703012 /nfs/dbraw/zinc/70/30/12/852703012.db2.gz GIYFXZJQFHTEDL-QGZVFWFLSA-N 1 1 385.464 3.503 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000489981061 852704184 /nfs/dbraw/zinc/70/41/84/852704184.db2.gz LFKFGNPYLFVGOG-WMLDXEAASA-N 1 1 379.526 3.801 20 5 GHBDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000481847347 862394738 /nfs/dbraw/zinc/39/47/38/862394738.db2.gz KVZFZLLIOHEKEV-AWEZNQCLSA-N 1 1 381.274 3.507 20 5 GHBDMO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000490061948 852742662 /nfs/dbraw/zinc/74/26/62/852742662.db2.gz XLZSRSZAVRAKEJ-FUHWJXTLSA-N 1 1 388.489 3.555 20 5 GHBDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000490061948 852742665 /nfs/dbraw/zinc/74/26/65/852742665.db2.gz XLZSRSZAVRAKEJ-FUHWJXTLSA-N 1 1 388.489 3.555 20 5 GHBDMO Cc1c(Br)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000516602198 852764423 /nfs/dbraw/zinc/76/44/23/852764423.db2.gz FBZXOVSOSJTKMO-GXTWGEPZSA-N 1 1 395.301 3.514 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000516590460 852770918 /nfs/dbraw/zinc/77/09/18/852770918.db2.gz LVZJZGDFVCIVGV-JOCHJYFZSA-N 1 1 379.460 3.641 20 5 GHBDMO COc1cc(OC)cc(OCCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000490338301 852944066 /nfs/dbraw/zinc/94/40/66/852944066.db2.gz CYHUIQSTSMKSSW-UHFFFAOYSA-N 1 1 378.400 3.652 20 5 GHBDMO COc1cc(OC)cc(OCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000490338301 852944074 /nfs/dbraw/zinc/94/40/74/852944074.db2.gz CYHUIQSTSMKSSW-UHFFFAOYSA-N 1 1 378.400 3.652 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC=C(COC)CC2)cc1OC ZINC000481860182 862412835 /nfs/dbraw/zinc/41/28/35/862412835.db2.gz QHMOMVJYHBVXSN-HNNXBMFYSA-N 1 1 378.469 3.807 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC=C(COC)CC2)cc1OC ZINC000481860182 862412838 /nfs/dbraw/zinc/41/28/38/862412838.db2.gz QHMOMVJYHBVXSN-HNNXBMFYSA-N 1 1 378.469 3.807 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000913039103 853000723 /nfs/dbraw/zinc/00/07/23/853000723.db2.gz CWLQADHWDSUCQY-GOSISDBHSA-N 1 1 393.443 3.605 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCOc1ccccc1[N+](=O)[O-] ZINC000507661168 853161597 /nfs/dbraw/zinc/16/15/97/853161597.db2.gz SCKVSFTWZPDMPD-UHFFFAOYSA-N 1 1 380.448 3.928 20 5 GHBDMO Cc1cc(N2CC[NH+](Cc3ccsc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000140887649 853402462 /nfs/dbraw/zinc/40/24/62/853402462.db2.gz JTYZFCGXUKTTJM-UHFFFAOYSA-N 1 1 395.488 3.744 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000425912400 853563698 /nfs/dbraw/zinc/56/36/98/853563698.db2.gz DOXPWFWPYTYQNT-AWEZNQCLSA-N 1 1 397.248 3.861 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCCN(CC(F)(F)F)CC3)o2)c1 ZINC000506552683 853572763 /nfs/dbraw/zinc/57/27/63/853572763.db2.gz MQVQSGAIHVELKW-UHFFFAOYSA-N 1 1 383.370 3.925 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCCN(CC(F)(F)F)CC3)o2)c1 ZINC000506552683 853572771 /nfs/dbraw/zinc/57/27/71/853572771.db2.gz MQVQSGAIHVELKW-UHFFFAOYSA-N 1 1 383.370 3.925 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)n1 ZINC000587005709 853611168 /nfs/dbraw/zinc/61/11/68/853611168.db2.gz SWGMFRHZXIVQJC-UHFFFAOYSA-N 1 1 381.392 3.596 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000437861549 853613299 /nfs/dbraw/zinc/61/32/99/853613299.db2.gz UZUOSWLJZXDVRG-OAHLLOKOSA-N 1 1 397.422 3.723 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000055103225 853645754 /nfs/dbraw/zinc/64/57/54/853645754.db2.gz GBWYXCVLMIPZKN-AWEZNQCLSA-N 1 1 399.447 3.516 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000426391320 853670724 /nfs/dbraw/zinc/67/07/24/853670724.db2.gz PVVRRAWVHZIOFY-UHFFFAOYSA-N 1 1 385.283 3.722 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000426391320 853670729 /nfs/dbraw/zinc/67/07/29/853670729.db2.gz PVVRRAWVHZIOFY-UHFFFAOYSA-N 1 1 385.283 3.722 20 5 GHBDMO Cc1cnccc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000571153010 853770715 /nfs/dbraw/zinc/77/07/15/853770715.db2.gz NKAXSBQMVKEKGT-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000571559136 853948828 /nfs/dbraw/zinc/94/88/28/853948828.db2.gz IRNRASCWXRAZES-LJQANCHMSA-N 1 1 383.448 3.576 20 5 GHBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000571559136 853948830 /nfs/dbraw/zinc/94/88/30/853948830.db2.gz IRNRASCWXRAZES-LJQANCHMSA-N 1 1 383.448 3.576 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441373562 854156819 /nfs/dbraw/zinc/15/68/19/854156819.db2.gz BRRWDUWPTRAHRH-KBPBESRZSA-N 1 1 387.402 3.779 20 5 GHBDMO COc1ccc(OCCN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397865 854181621 /nfs/dbraw/zinc/18/16/21/854181621.db2.gz RJCMYHOPULFRBJ-MSOLQXFVSA-N 1 1 391.512 3.569 20 5 GHBDMO C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000543538610 862580085 /nfs/dbraw/zinc/58/00/85/862580085.db2.gz KNECMAAIABRHJE-OAHLLOKOSA-N 1 1 399.466 3.791 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000589499444 854911477 /nfs/dbraw/zinc/91/14/77/854911477.db2.gz QSTWWAHNXDYVNP-WIYYLYMNSA-N 1 1 398.459 3.981 20 5 GHBDMO C[C@@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000572811891 854998027 /nfs/dbraw/zinc/99/80/27/854998027.db2.gz PZCZSRNRPGZXKU-IERDGZPVSA-N 1 1 381.476 3.725 20 5 GHBDMO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000553449810 855024382 /nfs/dbraw/zinc/02/43/82/855024382.db2.gz ZVYVFYATFZHRDY-KGLIPLIRSA-N 1 1 383.477 3.699 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)sc2C1 ZINC000273064110 855050318 /nfs/dbraw/zinc/05/03/18/855050318.db2.gz UCEUPJARCVGYJT-UHFFFAOYSA-N 1 1 397.460 3.618 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)sc2C1 ZINC000273064110 855050329 /nfs/dbraw/zinc/05/03/29/855050329.db2.gz UCEUPJARCVGYJT-UHFFFAOYSA-N 1 1 397.460 3.618 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000056851743 855098156 /nfs/dbraw/zinc/09/81/56/855098156.db2.gz DRIRPOPDEXZEAJ-WDEREUQCSA-N 1 1 379.363 3.559 20 5 GHBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2cccc3ccccc32)C2CCCC2)c1 ZINC000441477328 855212262 /nfs/dbraw/zinc/21/22/62/855212262.db2.gz UTWLMWFHHSGPBP-NRFANRHFSA-N 1 1 394.475 3.750 20 5 GHBDMO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000590032953 855242881 /nfs/dbraw/zinc/24/28/81/855242881.db2.gz OQXOMKRIWOYTNR-IBGZPJMESA-N 1 1 395.503 3.901 20 5 GHBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447657 855424587 /nfs/dbraw/zinc/42/45/87/855424587.db2.gz ZKXMXNNQRFLLAA-RHSMWYFYSA-N 1 1 383.473 3.522 20 5 GHBDMO COc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000058948516 862720930 /nfs/dbraw/zinc/72/09/30/862720930.db2.gz DZAPPCMWIXDJQT-MRXNPFEDSA-N 1 1 397.475 3.765 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172581116 855963111 /nfs/dbraw/zinc/96/31/11/855963111.db2.gz SVVKMRJFJDYQBL-HNNXBMFYSA-N 1 1 385.468 3.656 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)c1C ZINC000485065913 856070726 /nfs/dbraw/zinc/07/07/26/856070726.db2.gz QKZKJRRNFYJVKY-UHFFFAOYSA-N 1 1 380.404 3.805 20 5 GHBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000171903301 856303290 /nfs/dbraw/zinc/30/32/90/856303290.db2.gz PCXTZTDQFFEELF-VCSGRIEYSA-N 1 1 394.475 3.590 20 5 GHBDMO Cc1cc(C)c(CCNC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000429230459 856318653 /nfs/dbraw/zinc/31/86/53/856318653.db2.gz LFNPXUQLNANZNQ-UHFFFAOYSA-N 1 1 383.492 3.704 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000172553664 856476320 /nfs/dbraw/zinc/47/63/20/856476320.db2.gz RIMIBHNDPLIKEQ-MRXNPFEDSA-N 1 1 398.463 3.732 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1Cl ZINC000485436250 856523664 /nfs/dbraw/zinc/52/36/64/856523664.db2.gz JAVQLOOOAOOTMW-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO CN(C)c1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592131029 856671386 /nfs/dbraw/zinc/67/13/86/856671386.db2.gz QMDGRXNRSTTZPE-XUTJKUGGSA-N 1 1 383.492 3.967 20 5 GHBDMO COc1cc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000592181494 856762683 /nfs/dbraw/zinc/76/26/83/856762683.db2.gz FRALAJBYMHKTAJ-LBPRGKRZSA-N 1 1 386.395 3.596 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000733273265 862835489 /nfs/dbraw/zinc/83/54/89/862835489.db2.gz PNXLYGBPVGHMNS-QGZVFWFLSA-N 1 1 388.512 3.579 20 5 GHBDMO Cc1cc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000157673015 856847376 /nfs/dbraw/zinc/84/73/76/856847376.db2.gz HLVVGRJVCWTADI-MRXNPFEDSA-N 1 1 388.512 3.602 20 5 GHBDMO CC1CC[NH+]([C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000427905439 856861958 /nfs/dbraw/zinc/86/19/58/856861958.db2.gz FKINTIXZMYOVPJ-KRWDZBQOSA-N 1 1 389.477 3.565 20 5 GHBDMO COc1c(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000592694612 857029497 /nfs/dbraw/zinc/02/94/97/857029497.db2.gz JEQWWBJBCHGWHN-SFHVURJKSA-N 1 1 397.475 3.729 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301675556 857065235 /nfs/dbraw/zinc/06/52/35/857065235.db2.gz QDMPFVZUEFBSTC-CQSZACIVSA-N 1 1 377.514 3.785 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482269800 862869234 /nfs/dbraw/zinc/86/92/34/862869234.db2.gz RVLNEOIVQTWTKM-LJQANCHMSA-N 1 1 399.516 3.714 20 5 GHBDMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000245720182 857136004 /nfs/dbraw/zinc/13/60/04/857136004.db2.gz QYCJAEQHXNESDS-SCLBCKFNSA-N 1 1 391.830 3.810 20 5 GHBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000245720182 857136009 /nfs/dbraw/zinc/13/60/09/857136009.db2.gz QYCJAEQHXNESDS-SCLBCKFNSA-N 1 1 391.830 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(Cl)nc4ccccc34)C2)nc1 ZINC000129080914 857151787 /nfs/dbraw/zinc/15/17/87/857151787.db2.gz DMAGABVBVHTXOU-CQSZACIVSA-N 1 1 383.839 3.878 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000246173929 857264477 /nfs/dbraw/zinc/26/44/77/857264477.db2.gz CVEPUGPGCIVWEJ-QMMLZNLJSA-N 1 1 397.475 3.676 20 5 GHBDMO COc1cc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000174693143 857365083 /nfs/dbraw/zinc/36/50/83/857365083.db2.gz LRKSCBJTVHMIIY-UHFFFAOYSA-N 1 1 377.391 3.958 20 5 GHBDMO CN(C)C[C@H](Cc1ccccc1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113325753 857428875 /nfs/dbraw/zinc/42/88/75/857428875.db2.gz UFNIUXRGKHTLGU-SFHVURJKSA-N 1 1 396.516 3.981 20 5 GHBDMO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000113327741 857430350 /nfs/dbraw/zinc/43/03/50/857430350.db2.gz BCSUPILFBFKDHG-SFHVURJKSA-N 1 1 399.472 3.556 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592433548 857439797 /nfs/dbraw/zinc/43/97/97/857439797.db2.gz APZXDVPHXISNHM-IAGOWNOFSA-N 1 1 386.521 3.930 20 5 GHBDMO CC(C)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000520960121 857441308 /nfs/dbraw/zinc/44/13/08/857441308.db2.gz JMQJHJVBUCQMJL-UHFFFAOYSA-N 1 1 396.896 3.935 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000246722054 857442810 /nfs/dbraw/zinc/44/28/10/857442810.db2.gz AEPROSWMSIMELV-IFMALSPDSA-N 1 1 395.459 3.695 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000246722054 857442813 /nfs/dbraw/zinc/44/28/13/857442813.db2.gz AEPROSWMSIMELV-IFMALSPDSA-N 1 1 395.459 3.695 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175175658 857454210 /nfs/dbraw/zinc/45/42/10/857454210.db2.gz YIFYHFGCTHMWRY-UHFFFAOYSA-N 1 1 383.404 3.810 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000486227170 857567754 /nfs/dbraw/zinc/56/77/54/857567754.db2.gz BRHJUZQAIMEQHQ-ZBFHGGJFSA-N 1 1 385.489 3.882 20 5 GHBDMO COc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000058952307 857833606 /nfs/dbraw/zinc/83/36/06/857833606.db2.gz BXRTUROKDLTYFR-INIZCTEOSA-N 1 1 397.475 3.765 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)c1C ZINC000907957692 857861772 /nfs/dbraw/zinc/86/17/72/857861772.db2.gz QFDSLPRSDVROMV-UHFFFAOYSA-N 1 1 391.855 3.541 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)c1C ZINC000907957692 857861790 /nfs/dbraw/zinc/86/17/90/857861790.db2.gz QFDSLPRSDVROMV-UHFFFAOYSA-N 1 1 391.855 3.541 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000486589006 857886686 /nfs/dbraw/zinc/88/66/86/857886686.db2.gz XUBZWBXLRVFNKA-SFHVURJKSA-N 1 1 396.491 3.669 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(C(=O)OCC)cc([N+](=O)[O-])c3)c2C1 ZINC000066515124 858162228 /nfs/dbraw/zinc/16/22/28/858162228.db2.gz OUENLCMDULWLTL-UHFFFAOYSA-N 1 1 397.431 3.749 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(C(=O)OCC)cc([N+](=O)[O-])c3)c2C1 ZINC000066515124 858162237 /nfs/dbraw/zinc/16/22/37/858162237.db2.gz OUENLCMDULWLTL-UHFFFAOYSA-N 1 1 397.431 3.749 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592881864 858336373 /nfs/dbraw/zinc/33/63/73/858336373.db2.gz NVCHFMBLDPELOV-DWLFOUALSA-N 1 1 395.503 3.625 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000595019534 858353113 /nfs/dbraw/zinc/35/31/13/858353113.db2.gz QOCJOHOKOJSENK-QGZVFWFLSA-N 1 1 399.491 3.929 20 5 GHBDMO Cc1nn(C)c(NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301871679 858461930 /nfs/dbraw/zinc/46/19/30/858461930.db2.gz IXZAADHNBBGMMA-LRDDRELGSA-N 1 1 381.839 3.534 20 5 GHBDMO Cc1nn(C)c(NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301871679 858461935 /nfs/dbraw/zinc/46/19/35/858461935.db2.gz IXZAADHNBBGMMA-LRDDRELGSA-N 1 1 381.839 3.534 20 5 GHBDMO COC(=O)C[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccncc1 ZINC000595485739 858533920 /nfs/dbraw/zinc/53/39/20/858533920.db2.gz CJKLJITVIKLILW-QGZVFWFLSA-N 1 1 397.353 3.577 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000595766837 858664259 /nfs/dbraw/zinc/66/42/59/858664259.db2.gz LPYKIGKATBIGJE-NRFANRHFSA-N 1 1 383.448 3.514 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000595766837 858664261 /nfs/dbraw/zinc/66/42/61/858664261.db2.gz LPYKIGKATBIGJE-NRFANRHFSA-N 1 1 383.448 3.514 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H](CCF)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000595755020 858676493 /nfs/dbraw/zinc/67/64/93/858676493.db2.gz DZTVIQUTUVPMAK-ZDUSSCGKSA-N 1 1 392.456 3.728 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H](CCF)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000595755020 858676495 /nfs/dbraw/zinc/67/64/95/858676495.db2.gz DZTVIQUTUVPMAK-ZDUSSCGKSA-N 1 1 392.456 3.728 20 5 GHBDMO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000595777362 858684109 /nfs/dbraw/zinc/68/41/09/858684109.db2.gz FRXYVQFOARNPCF-HOTGVXAUSA-N 1 1 386.452 3.861 20 5 GHBDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595828514 858701220 /nfs/dbraw/zinc/70/12/20/858701220.db2.gz TXCCYGZAURWLBB-FQEVSTJZSA-N 1 1 378.432 3.961 20 5 GHBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CCc2ccccc21 ZINC000595882059 858705672 /nfs/dbraw/zinc/70/56/72/858705672.db2.gz YPARCASXNIZWPC-INIZCTEOSA-N 1 1 381.432 3.555 20 5 GHBDMO CC[N@H+](CCOc1ccccc1OC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595883864 858706481 /nfs/dbraw/zinc/70/64/81/858706481.db2.gz BTLKXWAEMXFFTM-UHFFFAOYSA-N 1 1 398.419 3.554 20 5 GHBDMO CC[N@@H+](CCOc1ccccc1OC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595883864 858706485 /nfs/dbraw/zinc/70/64/85/858706485.db2.gz BTLKXWAEMXFFTM-UHFFFAOYSA-N 1 1 398.419 3.554 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)s1 ZINC000595913661 858718253 /nfs/dbraw/zinc/71/82/53/858718253.db2.gz JDEWNUPPTQRBGS-AWEZNQCLSA-N 1 1 375.450 3.526 20 5 GHBDMO COc1cc(NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000301908724 858731174 /nfs/dbraw/zinc/73/11/74/858731174.db2.gz FFEQSHZDFVJUFS-UHFFFAOYSA-N 1 1 386.383 3.857 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)s1 ZINC000595921084 858735012 /nfs/dbraw/zinc/73/50/12/858735012.db2.gz SSDRALNVKKNXFX-STQMWFEESA-N 1 1 375.450 3.779 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000543249272 859036460 /nfs/dbraw/zinc/03/64/60/859036460.db2.gz GONZGYQMGOUEJG-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439314461 859056668 /nfs/dbraw/zinc/05/66/68/859056668.db2.gz JZXZBJTVYYYNHI-WMZOPIPTSA-N 1 1 388.489 3.637 20 5 GHBDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439314461 859056674 /nfs/dbraw/zinc/05/66/74/859056674.db2.gz JZXZBJTVYYYNHI-WMZOPIPTSA-N 1 1 388.489 3.637 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000185048929 859065389 /nfs/dbraw/zinc/06/53/89/859065389.db2.gz XFDORLGMKDUMFT-GHTZIAJQSA-N 1 1 381.476 3.679 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000185048929 859065393 /nfs/dbraw/zinc/06/53/93/859065393.db2.gz XFDORLGMKDUMFT-GHTZIAJQSA-N 1 1 381.476 3.679 20 5 GHBDMO Cc1cc(F)cc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000760593618 859197068 /nfs/dbraw/zinc/19/70/68/859197068.db2.gz VUHNUIDLPDOCQK-GOSISDBHSA-N 1 1 385.439 3.779 20 5 GHBDMO COc1ccc(C[C@@H](C)N2CC[N@H+](C3CCCCC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170355369 881398332 /nfs/dbraw/zinc/39/83/32/881398332.db2.gz BIQNYIZSAMBZBI-SJORKVTESA-N 1 1 375.513 3.873 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)ccc1Oc1ccc(F)cc1 ZINC000597173097 859335061 /nfs/dbraw/zinc/33/50/61/859335061.db2.gz DWQNLWCCFPCZTN-INIZCTEOSA-N 1 1 397.410 3.640 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597209907 859349245 /nfs/dbraw/zinc/34/92/45/859349245.db2.gz FMUVEUUDJYGHNU-GCJKJVERSA-N 1 1 398.459 3.651 20 5 GHBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597224599 859374649 /nfs/dbraw/zinc/37/46/49/859374649.db2.gz MCMYUDUFACGJOX-AWEZNQCLSA-N 1 1 388.493 3.511 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000463956150 859383261 /nfs/dbraw/zinc/38/32/61/859383261.db2.gz XEOOPCRADKIXOG-QGZVFWFLSA-N 1 1 382.464 3.950 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000463956150 859383266 /nfs/dbraw/zinc/38/32/66/859383266.db2.gz XEOOPCRADKIXOG-QGZVFWFLSA-N 1 1 382.464 3.950 20 5 GHBDMO C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248564911 859609331 /nfs/dbraw/zinc/60/93/31/859609331.db2.gz KNEWWFCHVFHPHI-IXDOHACOSA-N 1 1 391.487 3.950 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611195563 859637667 /nfs/dbraw/zinc/63/76/67/859637667.db2.gz DBZLIKSAZJJSIZ-QGZVFWFLSA-N 1 1 392.459 3.718 20 5 GHBDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000117892055 859651644 /nfs/dbraw/zinc/65/16/44/859651644.db2.gz KQYNAGNDORCLMA-LJQANCHMSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000117892055 859651646 /nfs/dbraw/zinc/65/16/46/859651646.db2.gz KQYNAGNDORCLMA-LJQANCHMSA-N 1 1 383.448 3.557 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597583994 859666475 /nfs/dbraw/zinc/66/64/75/859666475.db2.gz WJCJUYWCNHYBLD-IAGOWNOFSA-N 1 1 395.500 3.745 20 5 GHBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611266777 859673745 /nfs/dbraw/zinc/67/37/45/859673745.db2.gz MGUKSCGEUSPLLU-JTSKRJEESA-N 1 1 398.459 3.966 20 5 GHBDMO Cc1c([C@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000161187562 859691834 /nfs/dbraw/zinc/69/18/34/859691834.db2.gz GAECXGBIHVLOKZ-KRWDZBQOSA-N 1 1 383.492 3.711 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000611376011 859732953 /nfs/dbraw/zinc/73/29/53/859732953.db2.gz VKXPTBBISUFXLB-DLBZAZTESA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000611376011 859732959 /nfs/dbraw/zinc/73/29/59/859732959.db2.gz VKXPTBBISUFXLB-DLBZAZTESA-N 1 1 382.464 3.572 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] ZINC000765030085 859738689 /nfs/dbraw/zinc/73/86/89/859738689.db2.gz SIDMNHWXOGIPHX-HXUWFJFHSA-N 1 1 375.469 3.736 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611518490 859797014 /nfs/dbraw/zinc/79/70/14/859797014.db2.gz GKUYPBMRABYQCX-GFCCVEGCSA-N 1 1 382.363 3.830 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000597861414 859877013 /nfs/dbraw/zinc/87/70/13/859877013.db2.gz UGRRIMHVFFEIGO-GFCCVEGCSA-N 1 1 385.917 3.577 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000466529869 859880206 /nfs/dbraw/zinc/88/02/06/859880206.db2.gz PEHXGBPJHSUTRX-QFBILLFUSA-N 1 1 396.491 3.792 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCc3c([nH]nc3C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170351489 881485584 /nfs/dbraw/zinc/48/55/84/881485584.db2.gz CRSCXALCKKLZKO-HWPZZCPQSA-N 1 1 384.358 3.891 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170351489 881485592 /nfs/dbraw/zinc/48/55/92/881485592.db2.gz CRSCXALCKKLZKO-HWPZZCPQSA-N 1 1 384.358 3.891 20 5 GHBDMO C[C@@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001127883964 860030253 /nfs/dbraw/zinc/03/02/53/860030253.db2.gz XPRNDCVTBNDOAR-GDBMZVCRSA-N 1 1 396.491 3.713 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000598194055 860123507 /nfs/dbraw/zinc/12/35/07/860123507.db2.gz DWLFTQULDBWXPK-MRXNPFEDSA-N 1 1 387.867 3.637 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000025458368 860177133 /nfs/dbraw/zinc/17/71/33/860177133.db2.gz AAHDKQJERRJIPP-NRFANRHFSA-N 1 1 387.439 3.841 20 5 GHBDMO CCNc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000484653686 860227719 /nfs/dbraw/zinc/22/77/19/860227719.db2.gz NMHXXNODDHVUFA-UHFFFAOYSA-N 1 1 376.844 3.994 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCOCc1ccccc1 ZINC000154696161 860233726 /nfs/dbraw/zinc/23/37/26/860233726.db2.gz WRVLQXPPFKAVEU-CQSZACIVSA-N 1 1 391.855 3.724 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCOCc1ccccc1 ZINC000154696161 860233732 /nfs/dbraw/zinc/23/37/32/860233732.db2.gz WRVLQXPPFKAVEU-CQSZACIVSA-N 1 1 391.855 3.724 20 5 GHBDMO COc1cc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000602797857 860283439 /nfs/dbraw/zinc/28/34/39/860283439.db2.gz CUAIMINYVMCZKY-HNNXBMFYSA-N 1 1 396.447 3.767 20 5 GHBDMO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602809903 860292348 /nfs/dbraw/zinc/29/23/48/860292348.db2.gz JGTQGQPGVSHUQH-SNVBAGLBSA-N 1 1 375.429 3.750 20 5 GHBDMO Cc1nsc(N2CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)n1 ZINC000093716865 860336097 /nfs/dbraw/zinc/33/60/97/860336097.db2.gz WBWKBGUEQVADBG-UHFFFAOYSA-N 1 1 399.476 3.727 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000552251394 860409494 /nfs/dbraw/zinc/40/94/94/860409494.db2.gz VDJSDFLKTGFDIM-LJQANCHMSA-N 1 1 384.411 3.616 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124676993 860466789 /nfs/dbraw/zinc/46/67/89/860466789.db2.gz COHVAPCCQVKMMN-QGZVFWFLSA-N 1 1 399.495 3.561 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000603220648 860550475 /nfs/dbraw/zinc/55/04/75/860550475.db2.gz ZQXVTCALYRZEBO-GOSISDBHSA-N 1 1 383.839 3.665 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000063689073 860577344 /nfs/dbraw/zinc/57/73/44/860577344.db2.gz ODGMEFKUYSKLAW-UHFFFAOYSA-N 1 1 399.491 3.829 20 5 GHBDMO CC(=O)c1ccc2c(c1)CC[N@@H+](Cn1nc(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000761290911 860613010 /nfs/dbraw/zinc/61/30/10/860613010.db2.gz FPJUUHYGUQQGIV-UHFFFAOYSA-N 1 1 378.432 3.514 20 5 GHBDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cn1nc(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000761290911 860613017 /nfs/dbraw/zinc/61/30/17/860613017.db2.gz FPJUUHYGUQQGIV-UHFFFAOYSA-N 1 1 378.432 3.514 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155899093 860631407 /nfs/dbraw/zinc/63/14/07/860631407.db2.gz JKWSDHWMOYAPID-NRFANRHFSA-N 1 1 397.475 3.505 20 5 GHBDMO COc1ncc(Br)cc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599071259 860777397 /nfs/dbraw/zinc/77/73/97/860777397.db2.gz QYORGDPLIVFYBK-MRXNPFEDSA-N 1 1 392.253 3.928 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000520428958 881582829 /nfs/dbraw/zinc/58/28/29/881582829.db2.gz CCZFRGMVAAEYKN-UIBIWLFHSA-N 1 1 391.537 3.939 20 5 GHBDMO CN(C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000172020742 863133702 /nfs/dbraw/zinc/13/37/02/863133702.db2.gz UVMZQKHCBCEQQH-CYBMUJFWSA-N 1 1 383.876 3.937 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000172020742 863133714 /nfs/dbraw/zinc/13/37/14/863133714.db2.gz UVMZQKHCBCEQQH-CYBMUJFWSA-N 1 1 383.876 3.937 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](COCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000444162987 863570012 /nfs/dbraw/zinc/57/00/12/863570012.db2.gz AJRMYWYVNOIYGF-IEBWSBKVSA-N 1 1 397.475 3.769 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000153054495 881693435 /nfs/dbraw/zinc/69/34/35/881693435.db2.gz CSIANTSWLKBYLC-HNNXBMFYSA-N 1 1 380.366 3.575 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000153054589 881694166 /nfs/dbraw/zinc/69/41/66/881694166.db2.gz CSIANTSWLKBYLC-OAHLLOKOSA-N 1 1 380.366 3.575 20 5 GHBDMO Cc1c(CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000480077396 863975982 /nfs/dbraw/zinc/97/59/82/863975982.db2.gz ZTUIOZWZLWBWLK-KRWDZBQOSA-N 1 1 396.491 3.709 20 5 GHBDMO CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475109420 864188247 /nfs/dbraw/zinc/18/82/47/864188247.db2.gz QUXGOJZCFSWFIJ-SJLPKXTDSA-N 1 1 397.475 3.901 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000898578307 864214043 /nfs/dbraw/zinc/21/40/43/864214043.db2.gz IWWYNSMODPNCGM-SECBINFHSA-N 1 1 392.258 3.891 20 5 GHBDMO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000072097711 864482553 /nfs/dbraw/zinc/48/25/53/864482553.db2.gz HUQWZTMPQPBTIV-MRXNPFEDSA-N 1 1 396.491 3.790 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(Cc4ccncc4)CC3)o2)c1 ZINC000184714447 864879632 /nfs/dbraw/zinc/87/96/32/864879632.db2.gz RWZOCAMTHLRJRW-UHFFFAOYSA-N 1 1 378.432 3.568 20 5 GHBDMO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000792929287 881819603 /nfs/dbraw/zinc/81/96/03/881819603.db2.gz XXAGEYBXEAULOL-UHFFFAOYSA-N 1 1 379.258 3.768 20 5 GHBDMO COc1ccc([C@H]2[C@H](COC(=O)c3cccc(C)c3[N+](=O)[O-])CC[N@H+]2C)cc1 ZINC000735902585 865043653 /nfs/dbraw/zinc/04/36/53/865043653.db2.gz FEFRBNGEJXXNRF-JXFKEZNVSA-N 1 1 384.432 3.762 20 5 GHBDMO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1C ZINC000063619480 865064648 /nfs/dbraw/zinc/06/46/48/865064648.db2.gz NKSUXMSLEMKRGF-KRWDZBQOSA-N 1 1 397.431 3.716 20 5 GHBDMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1C ZINC000063619480 865064663 /nfs/dbraw/zinc/06/46/63/865064663.db2.gz NKSUXMSLEMKRGF-KRWDZBQOSA-N 1 1 397.431 3.716 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCS[C@@H](c4ccccc4)C3)n2)cc1 ZINC000738243990 865516716 /nfs/dbraw/zinc/51/67/16/865516716.db2.gz DHDKEVLROAXBSS-GOSISDBHSA-N 1 1 381.461 3.601 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCS[C@@H](c4ccccc4)C3)n2)cc1 ZINC000738243990 865516728 /nfs/dbraw/zinc/51/67/28/865516728.db2.gz DHDKEVLROAXBSS-GOSISDBHSA-N 1 1 381.461 3.601 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000248735932 865557625 /nfs/dbraw/zinc/55/76/25/865557625.db2.gz DPRZQDUEAGCTSZ-IEBWSBKVSA-N 1 1 375.513 3.792 20 5 GHBDMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000608877181 865783990 /nfs/dbraw/zinc/78/39/90/865783990.db2.gz QQICTGTYUGGODJ-AEFFLSMTSA-N 1 1 382.464 3.596 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4nc(C5CC5)cs4)CC3)nc2c1 ZINC000481192982 865980010 /nfs/dbraw/zinc/98/00/10/865980010.db2.gz UEXTYHUBXZLGEE-UHFFFAOYSA-N 1 1 398.492 3.517 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4nc(C5CC5)cs4)CC3)nc2c1 ZINC000481192982 865980023 /nfs/dbraw/zinc/98/00/23/865980023.db2.gz UEXTYHUBXZLGEE-UHFFFAOYSA-N 1 1 398.492 3.517 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)N1Cc2ccccc2C1 ZINC000475497545 866043118 /nfs/dbraw/zinc/04/31/18/866043118.db2.gz WVFPXLBODLQJSZ-HNNXBMFYSA-N 1 1 391.427 3.875 20 5 GHBDMO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475561445 866300825 /nfs/dbraw/zinc/30/08/25/866300825.db2.gz QMRCDYHHMWWFIW-OAQYLSRUSA-N 1 1 396.491 3.520 20 5 GHBDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000741245814 866337807 /nfs/dbraw/zinc/33/78/07/866337807.db2.gz JPCDIEMHHOPQMA-OAHLLOKOSA-N 1 1 392.887 3.982 20 5 GHBDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000741245814 866337819 /nfs/dbraw/zinc/33/78/19/866337819.db2.gz JPCDIEMHHOPQMA-OAHLLOKOSA-N 1 1 392.887 3.982 20 5 GHBDMO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444688773 867067703 /nfs/dbraw/zinc/06/77/03/867067703.db2.gz LADPZKLUMUPWSS-SFHVURJKSA-N 1 1 396.447 3.952 20 5 GHBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000444690793 867070844 /nfs/dbraw/zinc/07/08/44/867070844.db2.gz VNGVNLOJLREKGK-BEFAXECRSA-N 1 1 384.411 3.962 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534983387 867897352 /nfs/dbraw/zinc/89/73/52/867897352.db2.gz YIXBSBDZYACJDQ-MRXNPFEDSA-N 1 1 392.459 3.813 20 5 GHBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000195366641 882171039 /nfs/dbraw/zinc/17/10/39/882171039.db2.gz XKCMCDKCHVXIFI-LJQANCHMSA-N 1 1 396.491 3.815 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000535204587 868345261 /nfs/dbraw/zinc/34/52/61/868345261.db2.gz CTTJPSOHZCZQIK-GOSISDBHSA-N 1 1 380.448 3.926 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(c4cc(C5CC5)[nH]n4)CC3)o2)c1 ZINC000428403014 868432391 /nfs/dbraw/zinc/43/23/91/868432391.db2.gz OJGSVKVLWREKNY-UHFFFAOYSA-N 1 1 393.447 3.778 20 5 GHBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442752743 868734140 /nfs/dbraw/zinc/73/41/40/868734140.db2.gz UAOHFXMTAOJZRI-UHFFFAOYSA-N 1 1 385.489 3.912 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000744393977 868787752 /nfs/dbraw/zinc/78/77/52/868787752.db2.gz WHCQMAYYMPLAJS-GHTZIAJQSA-N 1 1 386.448 3.570 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000029828893 868791243 /nfs/dbraw/zinc/79/12/43/868791243.db2.gz CTYXZICKABAVPY-HNNXBMFYSA-N 1 1 394.431 3.944 20 5 GHBDMO C[NH+](C)Cc1cc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)ccc1Cl ZINC000487517296 869094282 /nfs/dbraw/zinc/09/42/82/869094282.db2.gz HRLPMVCWAYKRBB-UHFFFAOYSA-N 1 1 383.782 3.769 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@@H]1C ZINC000462490059 869549278 /nfs/dbraw/zinc/54/92/78/869549278.db2.gz MZXDSXQRSSFTQJ-FUHWJXTLSA-N 1 1 384.480 3.878 20 5 GHBDMO CC[C@H]1C[C@H](C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000793609350 882327452 /nfs/dbraw/zinc/32/74/52/882327452.db2.gz AOLJSYXRVFSRFI-OLZOCXBDSA-N 1 1 383.286 3.921 20 5 GHBDMO CC[C@H]1C[C@H](C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000793609350 882327467 /nfs/dbraw/zinc/32/74/67/882327467.db2.gz AOLJSYXRVFSRFI-OLZOCXBDSA-N 1 1 383.286 3.921 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3csc(-c4ccccc4)n3)C2)nc1 ZINC000539835788 869875310 /nfs/dbraw/zinc/87/53/10/869875310.db2.gz VPVLBYIVOLLZBH-HNNXBMFYSA-N 1 1 381.461 3.800 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)nc1 ZINC000539835788 869875323 /nfs/dbraw/zinc/87/53/23/869875323.db2.gz VPVLBYIVOLLZBH-HNNXBMFYSA-N 1 1 381.461 3.800 20 5 GHBDMO COc1cccc(C[N@H+](CC(C)C)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000746054489 869981600 /nfs/dbraw/zinc/98/16/00/869981600.db2.gz UIKUUAUJAWSCJH-UHFFFAOYSA-N 1 1 397.273 3.678 20 5 GHBDMO COc1cccc(C[N@@H+](CC(C)C)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000746054489 869981603 /nfs/dbraw/zinc/98/16/03/869981603.db2.gz UIKUUAUJAWSCJH-UHFFFAOYSA-N 1 1 397.273 3.678 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000525102311 870007795 /nfs/dbraw/zinc/00/77/95/870007795.db2.gz MZOFXLKXIGNABU-GJZGRUSLSA-N 1 1 399.447 3.608 20 5 GHBDMO CNc1c(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462762234 870024777 /nfs/dbraw/zinc/02/47/77/870024777.db2.gz BQPSRMMCLQBPPX-AEFFLSMTSA-N 1 1 396.491 3.667 20 5 GHBDMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195488 870148120 /nfs/dbraw/zinc/14/81/20/870148120.db2.gz FEWWRCFGJRDCAV-APWZRJJASA-N 1 1 399.491 3.755 20 5 GHBDMO COc1cc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195488 870148126 /nfs/dbraw/zinc/14/81/26/870148126.db2.gz FEWWRCFGJRDCAV-APWZRJJASA-N 1 1 399.491 3.755 20 5 GHBDMO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000441073507 870172233 /nfs/dbraw/zinc/17/22/33/870172233.db2.gz SGHAGORZAYEYNH-HTAPYJJXSA-N 1 1 376.460 3.870 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000540011068 870224820 /nfs/dbraw/zinc/22/48/20/870224820.db2.gz VUPCUXOJOGAYOA-UHFFFAOYSA-N 1 1 388.512 3.638 20 5 GHBDMO CCc1cc(N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462858427 870232572 /nfs/dbraw/zinc/23/25/72/870232572.db2.gz YNZODEHQRCQYRG-HNAYVOBHSA-N 1 1 383.496 3.781 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000461472542 870257439 /nfs/dbraw/zinc/25/74/39/870257439.db2.gz WKEYZCBERJPKFH-LJQANCHMSA-N 1 1 381.476 3.935 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000462871861 870263493 /nfs/dbraw/zinc/26/34/93/870263493.db2.gz INVSMBQABPJSJC-QFBILLFUSA-N 1 1 381.476 3.992 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H](O)C2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462878188 870278870 /nfs/dbraw/zinc/27/88/70/870278870.db2.gz SQHCYCFQUHZFSX-FQEVSTJZSA-N 1 1 386.448 3.528 20 5 GHBDMO COc1cc(CNCC[N@@H+]2CC[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525288196 870292006 /nfs/dbraw/zinc/29/20/06/870292006.db2.gz ZWLPFXPZDFUTAN-QGZVFWFLSA-N 1 1 399.491 3.614 20 5 GHBDMO COc1cc(CNCC[N@H+]2CC[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525288196 870292018 /nfs/dbraw/zinc/29/20/18/870292018.db2.gz ZWLPFXPZDFUTAN-QGZVFWFLSA-N 1 1 399.491 3.614 20 5 GHBDMO Cn1cc(C[N@@H+](C)[C@H]2CCc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538726553 870526259 /nfs/dbraw/zinc/52/62/59/870526259.db2.gz CTZYHLGSUDXJJP-NRFANRHFSA-N 1 1 376.460 3.985 20 5 GHBDMO COc1ccc(OCC[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000441185906 870980690 /nfs/dbraw/zinc/98/06/90/870980690.db2.gz BPZVXYINZSGKRK-INIZCTEOSA-N 1 1 392.477 3.725 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000181472543 871049637 /nfs/dbraw/zinc/04/96/37/871049637.db2.gz UNHBTCMIJZMFLW-OAHLLOKOSA-N 1 1 379.526 3.899 20 5 GHBDMO C[N@@H+](C1CN(C(c2ccccc2)c2ccccc2)C1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037080 871115150 /nfs/dbraw/zinc/11/51/50/871115150.db2.gz QUOSDLGKPMEORP-RXVVDRJESA-N 1 1 379.504 3.837 20 5 GHBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC001169038334 871117556 /nfs/dbraw/zinc/11/75/56/871117556.db2.gz YFBHAQYLZZDZNT-HIFRSBDPSA-N 1 1 394.928 3.907 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)c1cc(CO)ccn1 ZINC001193929840 871375727 /nfs/dbraw/zinc/37/57/27/871375727.db2.gz CHNSUTHSNXLDHH-UHFFFAOYSA-N 1 1 386.455 3.902 20 5 GHBDMO COc1cc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000552043236 871925114 /nfs/dbraw/zinc/92/51/14/871925114.db2.gz DPHKYMSJUBTAPZ-FQEVSTJZSA-N 1 1 380.448 3.567 20 5 GHBDMO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509657266 872011652 /nfs/dbraw/zinc/01/16/52/872011652.db2.gz JKECJNFRFUHFGU-MRXNPFEDSA-N 1 1 375.419 3.827 20 5 GHBDMO Cc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000101527836 872066386 /nfs/dbraw/zinc/06/63/86/872066386.db2.gz CMTCKHFYVCQDNQ-INIZCTEOSA-N 1 1 377.828 3.717 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)nc2c1 ZINC000447671690 872070501 /nfs/dbraw/zinc/07/05/01/872070501.db2.gz NNTCPSFRLJNPBC-UHFFFAOYSA-N 1 1 391.475 3.964 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448029982 872754499 /nfs/dbraw/zinc/75/44/99/872754499.db2.gz RIOHRBYTICOUDA-QRWLVFNGSA-N 1 1 382.464 3.825 20 5 GHBDMO Cc1c(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000478454187 873014446 /nfs/dbraw/zinc/01/44/46/873014446.db2.gz DKDIPZQPBAFIKU-GOSISDBHSA-N 1 1 390.871 3.659 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)c1csc(CO)n1 ZINC001196379595 873062950 /nfs/dbraw/zinc/06/29/50/873062950.db2.gz FIWPGAJNWVHKPO-UHFFFAOYSA-N 1 1 392.484 3.964 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)ccc1Cl ZINC000775749052 873460659 /nfs/dbraw/zinc/46/06/59/873460659.db2.gz AUXUBLZBDOPLQO-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(OC)c1OC ZINC001197106103 873601575 /nfs/dbraw/zinc/60/15/75/873601575.db2.gz XBEXSXNZEVJKOB-HNNXBMFYSA-N 1 1 375.381 3.761 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001197167521 873633832 /nfs/dbraw/zinc/63/38/32/873633832.db2.gz IEYNEPWRWVWVCX-DOTOQJQBSA-N 1 1 393.459 3.955 20 5 GHBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C1CCCC1 ZINC001197807891 874060373 /nfs/dbraw/zinc/06/03/73/874060373.db2.gz APBLKLKMDHTPLX-CYBMUJFWSA-N 1 1 382.302 3.806 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475722672 882790787 /nfs/dbraw/zinc/79/07/87/882790787.db2.gz LEBQESACIDVQGU-LJQANCHMSA-N 1 1 398.459 3.662 20 5 GHBDMO COc1cc(C[N@H+]2CCOC[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000769454975 874080582 /nfs/dbraw/zinc/08/05/82/874080582.db2.gz CAGYMLYOQWSJGW-MRXNPFEDSA-N 1 1 386.448 3.651 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)sc2nc(C)nc(C)c12 ZINC000769463212 874088197 /nfs/dbraw/zinc/08/81/97/874088197.db2.gz OMIHNVFNOXHDRT-AWEZNQCLSA-N 1 1 398.492 3.606 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000769512931 874119593 /nfs/dbraw/zinc/11/95/93/874119593.db2.gz WGYBEECRRAOBCJ-GOSISDBHSA-N 1 1 391.418 3.759 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775836716 874333116 /nfs/dbraw/zinc/33/31/16/874333116.db2.gz IJTKHRPCBICBRF-NQYYFHDYSA-N 1 1 390.480 3.603 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775836717 874333448 /nfs/dbraw/zinc/33/34/48/874333448.db2.gz IJTKHRPCBICBRF-WNHJNPCNSA-N 1 1 390.480 3.603 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001198319126 874350710 /nfs/dbraw/zinc/35/07/10/874350710.db2.gz QJUGJVSCNCTCIL-ZDUSSCGKSA-N 1 1 383.876 3.985 20 5 GHBDMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464785099 874490915 /nfs/dbraw/zinc/49/09/15/874490915.db2.gz LSJZAQARCSYYRO-GUXCAODWSA-N 1 1 389.496 3.521 20 5 GHBDMO COc1ccc(NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1[N+](=O)[O-] ZINC000542033623 874819223 /nfs/dbraw/zinc/81/92/23/874819223.db2.gz VIBMCKGDVXFDFH-CYBMUJFWSA-N 1 1 395.419 3.980 20 5 GHBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)C(N)=O ZINC000449408349 874828312 /nfs/dbraw/zinc/82/83/12/874828312.db2.gz JCSFNKRVMMDDQU-HNNXBMFYSA-N 1 1 385.464 3.968 20 5 GHBDMO CC(C)c1ccc(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000449457595 874882703 /nfs/dbraw/zinc/88/27/03/874882703.db2.gz GGUXOEOKONOTCA-HXUWFJFHSA-N 1 1 398.507 3.848 20 5 GHBDMO COc1cc(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000449627813 875149950 /nfs/dbraw/zinc/14/99/50/875149950.db2.gz AUGMDTWPPMYNMM-HOTGVXAUSA-N 1 1 386.395 3.594 20 5 GHBDMO O=C1[C@H]([NH+]2CCC(OC3CCCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131498 875629365 /nfs/dbraw/zinc/62/93/65/875629365.db2.gz XGGHGYMXADESGZ-HXUWFJFHSA-N 1 1 387.480 3.514 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000029980585 875771268 /nfs/dbraw/zinc/77/12/68/875771268.db2.gz QCCFRXJIHWWQBK-UHFFFAOYSA-N 1 1 395.503 3.893 20 5 GHBDMO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1=O ZINC000549908143 875853567 /nfs/dbraw/zinc/85/35/67/875853567.db2.gz XAIOVITYXYNEQS-LRDDRELGSA-N 1 1 377.441 3.637 20 5 GHBDMO CC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129931616 876036078 /nfs/dbraw/zinc/03/60/78/876036078.db2.gz CXNHQVKJJHHUKI-UXPWSPDFSA-N 1 1 386.496 3.704 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000443849859 876038567 /nfs/dbraw/zinc/03/85/67/876038567.db2.gz FHZJYCUDRFHACF-HRAATJIYSA-N 1 1 392.459 3.650 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492004439 876084823 /nfs/dbraw/zinc/08/48/23/876084823.db2.gz XVRVLAZFIHAKPP-UHFFFAOYSA-N 1 1 388.317 3.815 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000776278293 876161937 /nfs/dbraw/zinc/16/19/37/876161937.db2.gz UHOAGWDVSUMSJK-LOWVWBTDSA-N 1 1 386.292 3.691 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000776278293 876161941 /nfs/dbraw/zinc/16/19/41/876161941.db2.gz UHOAGWDVSUMSJK-LOWVWBTDSA-N 1 1 386.292 3.691 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000492488979 876959272 /nfs/dbraw/zinc/95/92/72/876959272.db2.gz WBTJMJVKZBZEKE-OAHLLOKOSA-N 1 1 389.418 3.700 20 5 GHBDMO COc1cc(Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)c([N+](=O)[O-])cc1OC(F)F ZINC000450994249 877164174 /nfs/dbraw/zinc/16/41/74/877164174.db2.gz BTFWMPIBAPDZSY-QWRGUYRKSA-N 1 1 381.379 3.820 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000746659833 877217982 /nfs/dbraw/zinc/21/79/82/877217982.db2.gz ZVNGNTVSZWRNPZ-AWEZNQCLSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000746659833 877217994 /nfs/dbraw/zinc/21/79/94/877217994.db2.gz ZVNGNTVSZWRNPZ-AWEZNQCLSA-N 1 1 388.855 3.802 20 5 GHBDMO O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000787224166 877276835 /nfs/dbraw/zinc/27/68/35/877276835.db2.gz ZUYQSKJQRGYHTO-UHFFFAOYSA-N 1 1 392.293 3.609 20 5 GHBDMO CCCCn1nc(C)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1Cl ZINC000787288060 877295106 /nfs/dbraw/zinc/29/51/06/877295106.db2.gz GERFYIRAKMKITR-UHFFFAOYSA-N 1 1 380.880 3.587 20 5 GHBDMO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610062118 877345966 /nfs/dbraw/zinc/34/59/66/877345966.db2.gz PFYBEQOIZGJSND-IBGZPJMESA-N 1 1 395.503 3.901 20 5 GHBDMO CCNc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000610122076 877435300 /nfs/dbraw/zinc/43/53/00/877435300.db2.gz PZYQDRZUTVHTBH-KRWDZBQOSA-N 1 1 396.491 3.763 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000451144671 877450942 /nfs/dbraw/zinc/45/09/42/877450942.db2.gz JAIGZSRVFRWHIA-TUAOUCFPSA-N 1 1 389.374 3.593 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000451144671 877450946 /nfs/dbraw/zinc/45/09/46/877450946.db2.gz JAIGZSRVFRWHIA-TUAOUCFPSA-N 1 1 389.374 3.593 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000176446981 877541091 /nfs/dbraw/zinc/54/10/91/877541091.db2.gz SLOSLTKMYGXJJE-CYBMUJFWSA-N 1 1 377.466 3.557 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000176446981 877541105 /nfs/dbraw/zinc/54/11/05/877541105.db2.gz SLOSLTKMYGXJJE-CYBMUJFWSA-N 1 1 377.466 3.557 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NC(C)(C)C ZINC000237570180 877589377 /nfs/dbraw/zinc/58/93/77/877589377.db2.gz GKUIYERMACWGKV-NSHDSACASA-N 1 1 379.844 3.901 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@]2(C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000530495436 877904929 /nfs/dbraw/zinc/90/49/29/877904929.db2.gz JGSFLBHEQRWVBU-OAQYLSRUSA-N 1 1 386.448 3.529 20 5 GHBDMO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550827 878129792 /nfs/dbraw/zinc/12/97/92/878129792.db2.gz SEJVRGVFWWIBTO-NVXWUHKLSA-N 1 1 399.516 3.809 20 5 GHBDMO CO[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C[C@@H]1C ZINC000451578373 878189367 /nfs/dbraw/zinc/18/93/67/878189367.db2.gz XCNPHMWOZHGXPX-ZLGUVYLKSA-N 1 1 397.475 3.940 20 5 GHBDMO CO[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C[C@@H]1C ZINC000451578373 878189377 /nfs/dbraw/zinc/18/93/77/878189377.db2.gz XCNPHMWOZHGXPX-ZLGUVYLKSA-N 1 1 397.475 3.940 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000776581678 878201229 /nfs/dbraw/zinc/20/12/29/878201229.db2.gz HCDTZHAYDUQQDN-SFHVURJKSA-N 1 1 399.274 3.820 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnc(-c4ccsc4)s3)C2)nc1 ZINC000093534435 912321778 /nfs/dbraw/zinc/32/17/78/912321778.db2.gz OIPPKUXOTJTPPL-CYBMUJFWSA-N 1 1 387.490 3.861 20 5 GHBDMO Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534808 912322370 /nfs/dbraw/zinc/32/23/70/912322370.db2.gz HLXSNKBQPMKIGT-AWEZNQCLSA-N 1 1 378.379 3.586 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000537808456 878322108 /nfs/dbraw/zinc/32/21/08/878322108.db2.gz ASOCYEDNEWBNAW-LSDHHAIUSA-N 1 1 385.489 3.911 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c2ccncc21 ZINC000054370289 878530962 /nfs/dbraw/zinc/53/09/62/878530962.db2.gz PHZNBDRYDNAWBY-UHFFFAOYSA-N 1 1 380.423 3.994 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000493177387 878680567 /nfs/dbraw/zinc/68/05/67/878680567.db2.gz CAHAPBNLHCEPHM-CQSZACIVSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000493177387 878680573 /nfs/dbraw/zinc/68/05/73/878680573.db2.gz CAHAPBNLHCEPHM-CQSZACIVSA-N 1 1 388.855 3.802 20 5 GHBDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000789358313 878869061 /nfs/dbraw/zinc/86/90/61/878869061.db2.gz PNNAYAVOJLZZII-CYBMUJFWSA-N 1 1 395.419 3.621 20 5 GHBDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000789358313 878869066 /nfs/dbraw/zinc/86/90/66/878869066.db2.gz PNNAYAVOJLZZII-CYBMUJFWSA-N 1 1 395.419 3.621 20 5 GHBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000068778464 879016212 /nfs/dbraw/zinc/01/62/12/879016212.db2.gz IFMLBHFMDAHYDZ-UHFFFAOYSA-N 1 1 383.448 3.943 20 5 GHBDMO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000853515125 879076890 /nfs/dbraw/zinc/07/68/90/879076890.db2.gz LSCDHFFOBVIGNV-OCCSQVGLSA-N 1 1 383.374 3.864 20 5 GHBDMO C[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000853515125 879076899 /nfs/dbraw/zinc/07/68/99/879076899.db2.gz LSCDHFFOBVIGNV-OCCSQVGLSA-N 1 1 383.374 3.864 20 5 GHBDMO CC(C)c1ccc(CNCC2([NH+]3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000111403590 879122336 /nfs/dbraw/zinc/12/23/36/879122336.db2.gz NXBSBPCZFAALTD-UHFFFAOYSA-N 1 1 375.513 3.843 20 5 GHBDMO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000538268320 879154505 /nfs/dbraw/zinc/15/45/05/879154505.db2.gz FVESFSCHNWYOHA-GOSISDBHSA-N 1 1 399.447 3.514 20 5 GHBDMO C[N@@H+]1CCc2[nH]c3ccc(C(=O)NC(C)(C)c4ccccc4[N+](=O)[O-])cc3c2C1 ZINC000597688332 879211026 /nfs/dbraw/zinc/21/10/26/879211026.db2.gz LKHNKIOAYGKXCD-UHFFFAOYSA-N 1 1 392.459 3.729 20 5 GHBDMO C[N@H+]1CCc2[nH]c3ccc(C(=O)NC(C)(C)c4ccccc4[N+](=O)[O-])cc3c2C1 ZINC000597688332 879211034 /nfs/dbraw/zinc/21/10/34/879211034.db2.gz LKHNKIOAYGKXCD-UHFFFAOYSA-N 1 1 392.459 3.729 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854081105 879508986 /nfs/dbraw/zinc/50/89/86/879508986.db2.gz MOWJRFUHSBAHSF-CQSZACIVSA-N 1 1 379.420 3.683 20 5 GHBDMO Cc1cc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000538551110 879699917 /nfs/dbraw/zinc/69/99/17/879699917.db2.gz CYKAGERNXLYZSR-HZPDHXFCSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc([N+](=O)[O-])ccc3F)C2)s1 ZINC000854396625 879779910 /nfs/dbraw/zinc/77/99/10/879779910.db2.gz ILAXWXRFHGSFSW-AWEZNQCLSA-N 1 1 391.468 3.698 20 5 GHBDMO C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000494049523 879856254 /nfs/dbraw/zinc/85/62/54/879856254.db2.gz NQHYVGBSBZNDPL-LIRRHRJNSA-N 1 1 387.867 3.570 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000494068252 879890366 /nfs/dbraw/zinc/89/03/66/879890366.db2.gz GAKIFHPOTNRHRS-IEBWSBKVSA-N 1 1 381.476 3.913 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1F ZINC000790812083 879985713 /nfs/dbraw/zinc/98/57/13/879985713.db2.gz CYHZHXXFXATWDV-QGZVFWFLSA-N 1 1 385.439 3.779 20 5 GHBDMO C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)c1ccc([N+](=O)[O-])cc1 ZINC000854678883 880000565 /nfs/dbraw/zinc/00/05/65/880000565.db2.gz KEFUSERFMNGHDN-ZDUSSCGKSA-N 1 1 378.432 3.555 20 5 GHBDMO C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)c1ccc([N+](=O)[O-])cc1 ZINC000854678883 880000580 /nfs/dbraw/zinc/00/05/80/880000580.db2.gz KEFUSERFMNGHDN-ZDUSSCGKSA-N 1 1 378.432 3.555 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000790834448 880033868 /nfs/dbraw/zinc/03/38/68/880033868.db2.gz MLFGMDWHWCTUBM-HNAYVOBHSA-N 1 1 385.439 3.683 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)o2)cc1 ZINC000181188008 880045889 /nfs/dbraw/zinc/04/58/89/880045889.db2.gz TWJKFPXZQYGVBS-DNVCBOLYSA-N 1 1 394.431 3.902 20 5 GHBDMO COC1CCN(C2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CCCC2)CC1 ZINC000542478227 880518460 /nfs/dbraw/zinc/51/84/60/880518460.db2.gz JWEXISRHRSBTGR-UHFFFAOYSA-N 1 1 381.904 3.761 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218524 880603164 /nfs/dbraw/zinc/60/31/64/880603164.db2.gz HBWONKONNJMHSG-LSDHHAIUSA-N 1 1 377.510 3.599 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791698287 880630840 /nfs/dbraw/zinc/63/08/40/880630840.db2.gz FLCUMJODCUNKBO-OAHLLOKOSA-N 1 1 388.855 3.892 20 5 GHBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000453275076 880760110 /nfs/dbraw/zinc/76/01/10/880760110.db2.gz HBIZGLGXYNWIQG-BBWFWOEESA-N 1 1 399.516 3.747 20 5 GHBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc(F)ccc1[N+](=O)[O-] ZINC000856170281 881008789 /nfs/dbraw/zinc/00/87/89/881008789.db2.gz XMSZSFXHPNKPBN-KRWDZBQOSA-N 1 1 397.450 3.766 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000556967716 881237200 /nfs/dbraw/zinc/23/72/00/881237200.db2.gz PAFHDTCCBJIGFR-NRFANRHFSA-N 1 1 392.459 3.794 20 5 GHBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000609530798 883320901 /nfs/dbraw/zinc/32/09/01/883320901.db2.gz GDNRTOJKWRSGBG-IBGZPJMESA-N 1 1 396.491 3.811 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000609546301 883338221 /nfs/dbraw/zinc/33/82/21/883338221.db2.gz ADPAEMXSCRZHOT-JKSUJKDBSA-N 1 1 376.501 3.856 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H]1CCCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001168157098 883372254 /nfs/dbraw/zinc/37/22/54/883372254.db2.gz WKJZVLSOGRAYQL-FQEVSTJZSA-N 1 1 393.487 3.971 20 5 GHBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000804812413 883374512 /nfs/dbraw/zinc/37/45/12/883374512.db2.gz NRPBIPROZJQUPI-NRFANRHFSA-N 1 1 385.439 3.845 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000858846050 883398012 /nfs/dbraw/zinc/39/80/12/883398012.db2.gz FMNAQONZBPDQDE-UHFFFAOYSA-N 1 1 399.878 3.911 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N(C)C[C@@H]3CCC[N@@H+](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000609670987 883515473 /nfs/dbraw/zinc/51/54/73/883515473.db2.gz ZMLOKVJHBGZKKA-QGZVFWFLSA-N 1 1 396.491 3.934 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CNCc3ncc(Cl)s3)CC2)cc1 ZINC001183674814 912719937 /nfs/dbraw/zinc/71/99/37/912719937.db2.gz ZXCCWLUMXIYOCS-UHFFFAOYSA-N 1 1 394.928 3.749 20 5 GHBDMO O=[N+]([O-])c1c(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc2ccccn21 ZINC000747225676 883539117 /nfs/dbraw/zinc/53/91/17/883539117.db2.gz CBKCCKTUJYHMTE-JOCHJYFZSA-N 1 1 391.475 3.735 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800870 883664069 /nfs/dbraw/zinc/66/40/69/883664069.db2.gz ULCYNJRQEOOHBS-IBGZPJMESA-N 1 1 399.472 3.683 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609793741 883688265 /nfs/dbraw/zinc/68/82/65/883688265.db2.gz MYUKAMBJLYDEPF-HOTGVXAUSA-N 1 1 393.915 3.904 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000026231481 884219508 /nfs/dbraw/zinc/21/95/08/884219508.db2.gz DSBVHXIGISLTGL-HNNXBMFYSA-N 1 1 375.450 3.831 20 5 GHBDMO C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1Cc1ccccc1 ZINC000556305759 884434246 /nfs/dbraw/zinc/43/42/46/884434246.db2.gz LTGNGXVCLXKUOH-INIZCTEOSA-N 1 1 388.855 3.639 20 5 GHBDMO C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1Cc1ccccc1 ZINC000556305759 884434252 /nfs/dbraw/zinc/43/42/52/884434252.db2.gz LTGNGXVCLXKUOH-INIZCTEOSA-N 1 1 388.855 3.639 20 5 GHBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C2 ZINC000897876632 884498065 /nfs/dbraw/zinc/49/80/65/884498065.db2.gz PLSFGZPUMSYLDQ-INIZCTEOSA-N 1 1 390.242 3.599 20 5 GHBDMO C[N@@H+]1CC[C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1c1ccccc1 ZINC000550684944 885893512 /nfs/dbraw/zinc/89/35/12/885893512.db2.gz TZXVMWZKWPDQGX-UXHICEINSA-N 1 1 378.432 3.785 20 5 GHBDMO C[N@H+]1CC[C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1c1ccccc1 ZINC000550684944 885893520 /nfs/dbraw/zinc/89/35/20/885893520.db2.gz TZXVMWZKWPDQGX-UXHICEINSA-N 1 1 378.432 3.785 20 5 GHBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000747468433 886157716 /nfs/dbraw/zinc/15/77/16/886157716.db2.gz RJIVGEXSJDGVCC-AEFFLSMTSA-N 1 1 377.448 3.764 20 5 GHBDMO O=C1CN(C[N@@H+]2CCCC[C@H]2c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000762469624 886251385 /nfs/dbraw/zinc/25/13/85/886251385.db2.gz ZBCCFBRJJYNNIS-IBGZPJMESA-N 1 1 394.431 3.548 20 5 GHBDMO O=C1CN(C[N@H+]2CCCC[C@H]2c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000762469624 886251402 /nfs/dbraw/zinc/25/14/02/886251402.db2.gz ZBCCFBRJJYNNIS-IBGZPJMESA-N 1 1 394.431 3.548 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000026263237 886316561 /nfs/dbraw/zinc/31/65/61/886316561.db2.gz GZCVHOQSGOHCEY-UHFFFAOYSA-N 1 1 384.461 3.974 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nc2ccccc2s1 ZINC000026263237 886316574 /nfs/dbraw/zinc/31/65/74/886316574.db2.gz GZCVHOQSGOHCEY-UHFFFAOYSA-N 1 1 384.461 3.974 20 5 GHBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000862550989 886461479 /nfs/dbraw/zinc/46/14/79/886461479.db2.gz IWCHIJIBBSHJLG-QGZVFWFLSA-N 1 1 382.529 3.754 20 5 GHBDMO CC[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000032446053 886544533 /nfs/dbraw/zinc/54/45/33/886544533.db2.gz RILNKEAKZGALHN-SFHVURJKSA-N 1 1 399.516 3.640 20 5 GHBDMO COC[C@@H]1CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000556908964 886642961 /nfs/dbraw/zinc/64/29/61/886642961.db2.gz OBXHAYKQSYDHBY-LBPRGKRZSA-N 1 1 381.226 3.838 20 5 GHBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001131558979 887067633 /nfs/dbraw/zinc/06/76/33/887067633.db2.gz HGWREXWIUVFGDP-UHFFFAOYSA-N 1 1 390.528 3.681 20 5 GHBDMO C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272333763 887112731 /nfs/dbraw/zinc/11/27/31/887112731.db2.gz XAZNQGZBIUCVRJ-UKRRQHHQSA-N 1 1 389.402 3.513 20 5 GHBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000443959293 887155181 /nfs/dbraw/zinc/15/51/81/887155181.db2.gz HRJQNGSIXNXKCC-SFHVURJKSA-N 1 1 390.443 3.943 20 5 GHBDMO CCc1cc(N2CCC[C@H](c3[nH+]ccn3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443961460 887302863 /nfs/dbraw/zinc/30/28/63/887302863.db2.gz LNJQWCVWDTYOQM-INIZCTEOSA-N 1 1 392.463 3.732 20 5 GHBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809911290 887931297 /nfs/dbraw/zinc/93/12/97/887931297.db2.gz KWQMPCIBAXGLBE-UHFFFAOYSA-N 1 1 388.855 3.818 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC001132086319 888216264 /nfs/dbraw/zinc/21/62/64/888216264.db2.gz LLJWRGQDQZLVQP-WBVHZDCISA-N 1 1 385.439 3.540 20 5 GHBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000810614655 888680172 /nfs/dbraw/zinc/68/01/72/888680172.db2.gz INYOHZSPIRULED-HNNXBMFYSA-N 1 1 394.431 3.957 20 5 GHBDMO Cc1cc(C)c(N2CC[C@@H]([N@H+](C)CCc3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000796114393 913291652 /nfs/dbraw/zinc/29/16/52/913291652.db2.gz QRJXTOPHMVBCMA-HXUWFJFHSA-N 1 1 381.476 3.800 20 5 GHBDMO Cc1cc(C)c(N2CC[C@@H]([N@@H+](C)CCc3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000796114393 913291671 /nfs/dbraw/zinc/29/16/71/913291671.db2.gz QRJXTOPHMVBCMA-HXUWFJFHSA-N 1 1 381.476 3.800 20 5 GHBDMO C[C@@]([NH3+])(C(=O)Nc1ccc(CCC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000867946235 889232954 /nfs/dbraw/zinc/23/29/54/889232954.db2.gz OIRPRJISOVGTJH-KRWDZBQOSA-N 1 1 381.354 3.902 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)CCc2cccs2)c([N+](=O)[O-])c1 ZINC000532939510 889340496 /nfs/dbraw/zinc/34/04/96/889340496.db2.gz YYVIIBSQLKZPAF-UHFFFAOYSA-N 1 1 377.466 3.558 20 5 GHBDMO COCCOc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000811474407 889659607 /nfs/dbraw/zinc/65/96/07/889659607.db2.gz IBNGYZRPOQPWMH-UHFFFAOYSA-N 1 1 386.235 3.612 20 5 GHBDMO CNc1nc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)ccc1[N+](=O)[O-] ZINC000454809547 889806832 /nfs/dbraw/zinc/80/68/32/889806832.db2.gz JOAPXNCEBGLEGA-UHFFFAOYSA-N 1 1 394.435 3.652 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001184803568 913414953 /nfs/dbraw/zinc/41/49/53/913414953.db2.gz WXGLHEZLDBSNEH-QGZVFWFLSA-N 1 1 392.459 3.650 20 5 GHBDMO O=[N+]([O-])c1c(NCC[NH+]2CCN(c3ccccc3)CC2)cccc1C(F)(F)F ZINC001184784258 913431544 /nfs/dbraw/zinc/43/15/44/913431544.db2.gz CTCUAHPLJOJFBA-UHFFFAOYSA-N 1 1 394.397 3.848 20 5 GHBDMO CC(C)[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350822 891236687 /nfs/dbraw/zinc/23/66/87/891236687.db2.gz AGLJZLXYNWWUHQ-HNNXBMFYSA-N 1 1 387.402 3.606 20 5 GHBDMO CC(C)[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350822 891236700 /nfs/dbraw/zinc/23/67/00/891236700.db2.gz AGLJZLXYNWWUHQ-HNNXBMFYSA-N 1 1 387.402 3.606 20 5 GHBDMO CC(C)Oc1cccc(CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813171247 891331381 /nfs/dbraw/zinc/33/13/81/891331381.db2.gz REIVDILIFKCHKR-NRFANRHFSA-N 1 1 398.459 3.742 20 5 GHBDMO CC(C)Oc1cccc(CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813171247 891331394 /nfs/dbraw/zinc/33/13/94/891331394.db2.gz REIVDILIFKCHKR-NRFANRHFSA-N 1 1 398.459 3.742 20 5 GHBDMO Cn1c2ccccc2c(N2CCC[N@@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1=O ZINC001184965996 913550745 /nfs/dbraw/zinc/55/07/45/913550745.db2.gz QENDTLNEBGSEGU-UHFFFAOYSA-N 1 1 398.507 3.539 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCOc1ccccc1Cl ZINC000026337012 891402684 /nfs/dbraw/zinc/40/26/84/891402684.db2.gz YHCBPEBECILUQI-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(C(F)(F)F)nc1 ZINC000873184721 891510832 /nfs/dbraw/zinc/51/08/32/891510832.db2.gz HBDUVVOLQGZTOE-SNVBAGLBSA-N 1 1 383.326 3.726 20 5 GHBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813523464 891707240 /nfs/dbraw/zinc/70/72/40/891707240.db2.gz QWCFGGKUNMGNND-UHFFFAOYSA-N 1 1 383.235 3.884 20 5 GHBDMO C[C@@H](c1ccncc1)[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000067715642 891735149 /nfs/dbraw/zinc/73/51/49/891735149.db2.gz OGJWWKIAAOPAGB-ZDUSSCGKSA-N 1 1 380.370 3.892 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000933458037 893048759 /nfs/dbraw/zinc/04/87/59/893048759.db2.gz WXPWDUTZTGVDJR-MJKGWSOKSA-N 1 1 399.516 3.959 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000815060566 893400558 /nfs/dbraw/zinc/40/05/58/893400558.db2.gz VUVUFMBYJCBRDW-MRXNPFEDSA-N 1 1 388.386 3.774 20 5 GHBDMO CC[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000542611381 893428129 /nfs/dbraw/zinc/42/81/29/893428129.db2.gz FGGRMBWTUJCBCC-MAUKXSAKSA-N 1 1 399.466 3.791 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC4CCC(F)(F)CC4)CC3)nc2c1 ZINC000459403864 893436836 /nfs/dbraw/zinc/43/68/36/893436836.db2.gz QATSJRKVPSUWQB-UHFFFAOYSA-N 1 1 393.438 3.809 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001185305990 913794744 /nfs/dbraw/zinc/79/47/44/913794744.db2.gz LXPBOQQHDJRSDK-HNNXBMFYSA-N 1 1 399.447 3.827 20 5 GHBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000459560313 893807916 /nfs/dbraw/zinc/80/79/16/893807916.db2.gz LUDLSPXUFGLATE-FQEVSTJZSA-N 1 1 387.436 3.804 20 5 GHBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000459560313 893807936 /nfs/dbraw/zinc/80/79/36/893807936.db2.gz LUDLSPXUFGLATE-FQEVSTJZSA-N 1 1 387.436 3.804 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)nc2c1 ZINC000459657588 893999610 /nfs/dbraw/zinc/99/96/10/893999610.db2.gz IKSTYHNRJMBFGY-HNNXBMFYSA-N 1 1 399.369 3.917 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)nc2c1 ZINC000459657588 893999615 /nfs/dbraw/zinc/99/96/15/893999615.db2.gz IKSTYHNRJMBFGY-HNNXBMFYSA-N 1 1 399.369 3.917 20 5 GHBDMO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000459677157 894053427 /nfs/dbraw/zinc/05/34/27/894053427.db2.gz PJCKCDUSDFRTBQ-CQSZACIVSA-N 1 1 388.411 3.638 20 5 GHBDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000459677157 894053439 /nfs/dbraw/zinc/05/34/39/894053439.db2.gz PJCKCDUSDFRTBQ-CQSZACIVSA-N 1 1 388.411 3.638 20 5 GHBDMO CC(C)CO[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878191331 894082687 /nfs/dbraw/zinc/08/26/87/894082687.db2.gz NLDNTFOPVBNFRS-ZDUSSCGKSA-N 1 1 380.832 3.545 20 5 GHBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878191331 894082694 /nfs/dbraw/zinc/08/26/94/894082694.db2.gz NLDNTFOPVBNFRS-ZDUSSCGKSA-N 1 1 380.832 3.545 20 5 GHBDMO COc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459744383 894170314 /nfs/dbraw/zinc/17/03/14/894170314.db2.gz HYDBSAJJSNXVJI-OAHLLOKOSA-N 1 1 396.447 3.767 20 5 GHBDMO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459744210 894170430 /nfs/dbraw/zinc/17/04/30/894170430.db2.gz DFTKTJGTDVWYOB-ROUUACIJSA-N 1 1 386.473 3.872 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)o1 ZINC000878391550 894253436 /nfs/dbraw/zinc/25/34/36/894253436.db2.gz NQJJJZUVLYWRBJ-HNNXBMFYSA-N 1 1 380.404 3.546 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@H](COc3ccccc3)C2)o1 ZINC000878391550 894253454 /nfs/dbraw/zinc/25/34/54/894253454.db2.gz NQJJJZUVLYWRBJ-HNNXBMFYSA-N 1 1 380.404 3.546 20 5 GHBDMO C[N@H+](CCCOCc1ccccc1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878552524 894380156 /nfs/dbraw/zinc/38/01/56/894380156.db2.gz QKFWUDSFKDOQJZ-UHFFFAOYSA-N 1 1 382.420 3.684 20 5 GHBDMO C[N@@H+](CCCOCc1ccccc1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878552524 894380176 /nfs/dbraw/zinc/38/01/76/894380176.db2.gz QKFWUDSFKDOQJZ-UHFFFAOYSA-N 1 1 382.420 3.684 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)o1 ZINC000878756700 894582882 /nfs/dbraw/zinc/58/28/82/894582882.db2.gz YKJAPCVXLCFRTJ-SWLSCSKDSA-N 1 1 392.843 3.689 20 5 GHBDMO COc1cc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(F)cc1[N+](=O)[O-] ZINC000564553329 895075434 /nfs/dbraw/zinc/07/54/34/895075434.db2.gz VZRUSDMKBXRLRV-AWEZNQCLSA-N 1 1 389.427 3.575 20 5 GHBDMO COc1cc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(F)cc1[N+](=O)[O-] ZINC000564553329 895075448 /nfs/dbraw/zinc/07/54/48/895075448.db2.gz VZRUSDMKBXRLRV-AWEZNQCLSA-N 1 1 389.427 3.575 20 5 GHBDMO CCc1cc(Nc2ccc3c(c2)[nH+]c(C)n3C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001185519315 913934123 /nfs/dbraw/zinc/93/41/23/913934123.db2.gz YCVPPVZKFZINPG-UHFFFAOYSA-N 1 1 388.431 3.975 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccnn2C)cc1OC ZINC000879684887 895233275 /nfs/dbraw/zinc/23/32/75/895233275.db2.gz BHVLQABFUUNRPM-UONOGXRCSA-N 1 1 376.457 3.613 20 5 GHBDMO Cc1csc([C@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000880007537 895445569 /nfs/dbraw/zinc/44/55/69/895445569.db2.gz JCBOCFOAKXQWJO-JSGCOSHPSA-N 1 1 385.449 3.960 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000817288295 895446118 /nfs/dbraw/zinc/44/61/18/895446118.db2.gz UAXYSWUZYIYCAF-UHFFFAOYSA-N 1 1 379.432 3.709 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000565386659 895582653 /nfs/dbraw/zinc/58/26/53/895582653.db2.gz QKQOJGHWDYAQDY-CABCVRRESA-N 1 1 381.839 3.769 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000565386659 895582659 /nfs/dbraw/zinc/58/26/59/895582659.db2.gz QKQOJGHWDYAQDY-CABCVRRESA-N 1 1 381.839 3.769 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000565869080 895945303 /nfs/dbraw/zinc/94/53/03/895945303.db2.gz UQOZGNTZQVZRTD-GOSISDBHSA-N 1 1 397.475 3.634 20 5 GHBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001185726835 914046429 /nfs/dbraw/zinc/04/64/29/914046429.db2.gz XNHMKXUQGUXZPY-UHFFFAOYSA-N 1 1 382.342 3.897 20 5 GHBDMO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000568080577 897575720 /nfs/dbraw/zinc/57/57/20/897575720.db2.gz WXOPRIYLKFFCRZ-UHFFFAOYSA-N 1 1 379.258 3.768 20 5 GHBDMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000103478072 898097085 /nfs/dbraw/zinc/09/70/85/898097085.db2.gz OBNIVLRHKFDMLW-KRWDZBQOSA-N 1 1 388.471 3.937 20 5 GHBDMO CCc1nccn1[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000106212308 898261534 /nfs/dbraw/zinc/26/15/34/898261534.db2.gz DBKFKHAVTAZRED-GOSISDBHSA-N 1 1 395.463 3.888 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000110720785 898744728 /nfs/dbraw/zinc/74/47/28/898744728.db2.gz NCEKJFPTCPCIOT-CYBMUJFWSA-N 1 1 389.839 3.894 20 5 GHBDMO CC(C)(C)c1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000569530002 898751706 /nfs/dbraw/zinc/75/17/06/898751706.db2.gz FXKOXVKIZXHPBW-OXJNMPFZSA-N 1 1 386.452 3.868 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1F ZINC000823268329 898929969 /nfs/dbraw/zinc/92/99/69/898929969.db2.gz HZYFSWHADJWWRX-HIFRSBDPSA-N 1 1 389.402 3.747 20 5 GHBDMO CC(C)n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000570655138 899475563 /nfs/dbraw/zinc/47/55/63/899475563.db2.gz ROZUVRXHOIUFHN-UHFFFAOYSA-N 1 1 386.500 3.745 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000332447127 899676468 /nfs/dbraw/zinc/67/64/68/899676468.db2.gz DBSXONPPBYPCHE-OAHLLOKOSA-N 1 1 391.516 3.558 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000332447127 899676477 /nfs/dbraw/zinc/67/64/77/899676477.db2.gz DBSXONPPBYPCHE-OAHLLOKOSA-N 1 1 391.516 3.558 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000332447127 899676485 /nfs/dbraw/zinc/67/64/85/899676485.db2.gz DBSXONPPBYPCHE-OAHLLOKOSA-N 1 1 391.516 3.558 20 5 GHBDMO CC(=O)c1cc(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000571067832 899733103 /nfs/dbraw/zinc/73/31/03/899733103.db2.gz OCQTYXNVQWLMLI-QFIPXVFZSA-N 1 1 396.491 3.588 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000825215284 900031057 /nfs/dbraw/zinc/03/10/57/900031057.db2.gz KZRAFIAKGFECOJ-QRWLVFNGSA-N 1 1 383.448 3.641 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000573137447 900385132 /nfs/dbraw/zinc/38/51/32/900385132.db2.gz NYFDKTJEBXFNKQ-CABCVRRESA-N 1 1 382.338 3.804 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000573706330 900599634 /nfs/dbraw/zinc/59/96/34/900599634.db2.gz WVWNZYVIAQVBEB-UHFFFAOYSA-N 1 1 387.411 3.593 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000573706330 900599639 /nfs/dbraw/zinc/59/96/39/900599639.db2.gz WVWNZYVIAQVBEB-UHFFFAOYSA-N 1 1 387.411 3.593 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000136252964 900613549 /nfs/dbraw/zinc/61/35/49/900613549.db2.gz UZTJWZGSUCYLRP-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000136252964 900613560 /nfs/dbraw/zinc/61/35/60/900613560.db2.gz UZTJWZGSUCYLRP-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885983825 900666303 /nfs/dbraw/zinc/66/63/03/900666303.db2.gz QMIYUVDEZFPPQM-QGZVFWFLSA-N 1 1 386.839 3.591 20 5 GHBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000575367559 901215795 /nfs/dbraw/zinc/21/57/95/901215795.db2.gz BGHXQQSQJHKHRN-QAPCUYQASA-N 1 1 387.505 3.618 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123652824 901958884 /nfs/dbraw/zinc/95/88/84/901958884.db2.gz ODOOBLNPTISAPO-HNNXBMFYSA-N 1 1 387.484 3.760 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000576773858 902251510 /nfs/dbraw/zinc/25/15/10/902251510.db2.gz RHXNCFRBDTXFSY-SJLPKXTDSA-N 1 1 381.476 3.652 20 5 GHBDMO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000047715254 902333480 /nfs/dbraw/zinc/33/34/80/902333480.db2.gz DVPLVIJQZIHTGO-UHFFFAOYSA-N 1 1 389.402 3.576 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263779676 902517313 /nfs/dbraw/zinc/51/73/13/902517313.db2.gz YJUVQOYOHHYHQB-IFXJQAMLSA-N 1 1 394.431 3.952 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263779676 902517322 /nfs/dbraw/zinc/51/73/22/902517322.db2.gz YJUVQOYOHHYHQB-IFXJQAMLSA-N 1 1 394.431 3.952 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC2(CCCCC2)C1 ZINC000578782765 904119206 /nfs/dbraw/zinc/11/92/06/904119206.db2.gz SVZMSGLBYNVURH-UHFFFAOYSA-N 1 1 375.469 3.978 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)co2)cc1 ZINC000152306704 904255875 /nfs/dbraw/zinc/25/58/75/904255875.db2.gz PDPLOXAQNHPTDQ-OAHLLOKOSA-N 1 1 394.435 3.625 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)co2)cc1 ZINC000152306704 904255889 /nfs/dbraw/zinc/25/58/89/904255889.db2.gz PDPLOXAQNHPTDQ-OAHLLOKOSA-N 1 1 394.435 3.625 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001171521386 904797944 /nfs/dbraw/zinc/79/79/44/904797944.db2.gz GTHXTAVRCUQYEM-TZMCWYRMSA-N 1 1 382.432 3.542 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001171521386 904797946 /nfs/dbraw/zinc/79/79/46/904797946.db2.gz GTHXTAVRCUQYEM-TZMCWYRMSA-N 1 1 382.432 3.542 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000187608591 904813453 /nfs/dbraw/zinc/81/34/53/904813453.db2.gz ALAJCCOASXZSEQ-LJQANCHMSA-N 1 1 387.867 3.889 20 5 GHBDMO Cn1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290905319 914863753 /nfs/dbraw/zinc/86/37/53/914863753.db2.gz MLLNAOUOZTVWJB-QUCCMNQESA-N 1 1 382.464 3.529 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])n1 ZINC001171841346 905091296 /nfs/dbraw/zinc/09/12/96/905091296.db2.gz NKVUJNWIEDKMQE-QGZVFWFLSA-N 1 1 398.385 3.824 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](COCc4ccccc4)C3)o2)cc1 ZINC000173984595 905177588 /nfs/dbraw/zinc/17/75/88/905177588.db2.gz CSVDUMZPYWWGNQ-QGZVFWFLSA-N 1 1 394.431 3.684 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1)CC2 ZINC001172903600 905927165 /nfs/dbraw/zinc/92/71/65/905927165.db2.gz HQJVIILRGBULIP-DJIMGWMZSA-N 1 1 390.377 3.570 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001172914509 905986209 /nfs/dbraw/zinc/98/62/09/905986209.db2.gz HCYGGCZPJGDZTO-QFIPXVFZSA-N 1 1 379.504 3.703 20 5 GHBDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916827 905988534 /nfs/dbraw/zinc/98/85/34/905988534.db2.gz UDRUBZOODKVQOW-PKOBYXMFSA-N 1 1 389.496 3.783 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909676 906016479 /nfs/dbraw/zinc/01/64/79/906016479.db2.gz UWEFUQGXIIHHAZ-ROUUACIJSA-N 1 1 389.496 3.831 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](N3CCCCC3)[C@@H](F)C1)CC2 ZINC001172911919 906019478 /nfs/dbraw/zinc/01/94/78/906019478.db2.gz GVRYVTLSORUOPP-HLAWJBBLSA-N 1 1 375.488 3.741 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@H](N3CCCCC3)[C@@H](F)C1)CC2 ZINC001172911919 906019493 /nfs/dbraw/zinc/01/94/93/906019493.db2.gz GVRYVTLSORUOPP-HLAWJBBLSA-N 1 1 375.488 3.741 20 5 GHBDMO COCC[C@@H]1CCCC[N@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173013101 906090449 /nfs/dbraw/zinc/09/04/49/906090449.db2.gz MNRHTHDGNALHHD-AWEZNQCLSA-N 1 1 383.439 3.733 20 5 GHBDMO CC(C)N1CC[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@@H](C)C1 ZINC001173014558 906091633 /nfs/dbraw/zinc/09/16/33/906091633.db2.gz SEKJEPWOVRFYEQ-IFXJQAMLSA-N 1 1 396.482 3.550 20 5 GHBDMO CC(C)[N@@H+](CCCCCO)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173016278 906094234 /nfs/dbraw/zinc/09/42/34/906094234.db2.gz AKRVMSQHRQKXAE-UHFFFAOYSA-N 1 1 385.455 3.715 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(c3cccc(Cl)c3)COC2)c1F ZINC001173190435 906270982 /nfs/dbraw/zinc/27/09/82/906270982.db2.gz YERFKLDUTSBOLW-GFCCVEGCSA-N 1 1 394.830 3.842 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](Oc3ncccc3C)C2)c1F ZINC001173191143 906273790 /nfs/dbraw/zinc/27/37/90/906273790.db2.gz ARKNNTBJHVFDBO-LSDHHAIUSA-N 1 1 389.427 3.530 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)Cc2cccc(OC)c2OC)c1F ZINC001173193437 906278146 /nfs/dbraw/zinc/27/81/46/906278146.db2.gz SDNGBKWOMMFGDE-ZDUSSCGKSA-N 1 1 392.427 3.823 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001173223427 906304322 /nfs/dbraw/zinc/30/43/22/906304322.db2.gz ZSHNIBLQCYALNX-JQHSSLGASA-N 1 1 389.496 3.715 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(CC3CC3)c21 ZINC001173223264 906304389 /nfs/dbraw/zinc/30/43/89/906304389.db2.gz ZIGCORGPMJOKLQ-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(CC3CC3)c21 ZINC001173223264 906304396 /nfs/dbraw/zinc/30/43/96/906304396.db2.gz ZIGCORGPMJOKLQ-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ncc(Br)cc2C1 ZINC001173227310 906311189 /nfs/dbraw/zinc/31/11/89/906311189.db2.gz POAFSVZGCFSIQG-LBPRGKRZSA-N 1 1 376.254 3.742 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001173229621 906314520 /nfs/dbraw/zinc/31/45/20/906314520.db2.gz XYNTVRDZNYCQEN-PIPMEXSNSA-N 1 1 397.475 3.623 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001173232263 906318348 /nfs/dbraw/zinc/31/83/48/906318348.db2.gz QJMKAUHIDIPNFQ-OYHNWAKOSA-N 1 1 380.444 3.867 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001173233799 906321151 /nfs/dbraw/zinc/32/11/51/906321151.db2.gz YWSNTTYBWXTMTL-WBAXXEDZSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001173233799 906321166 /nfs/dbraw/zinc/32/11/66/906321166.db2.gz YWSNTTYBWXTMTL-WBAXXEDZSA-N 1 1 375.469 3.610 20 5 GHBDMO Nc1cc2nc3ccccc3nc2cc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174445526 907042256 /nfs/dbraw/zinc/04/22/56/907042256.db2.gz JFBGCCZTPMWYEZ-UHFFFAOYSA-N 1 1 385.471 3.941 20 5 GHBDMO CC(C)(C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC001174818503 907218490 /nfs/dbraw/zinc/21/84/90/907218490.db2.gz HNCHUXYHRIIRER-UHFFFAOYSA-N 1 1 393.484 3.613 20 5 GHBDMO CC(C)(C)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC001174818503 907218496 /nfs/dbraw/zinc/21/84/96/907218496.db2.gz HNCHUXYHRIIRER-UHFFFAOYSA-N 1 1 393.484 3.613 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)c1 ZINC001174833981 907229486 /nfs/dbraw/zinc/22/94/86/907229486.db2.gz ZEEGZAPIFATLPT-INIZCTEOSA-N 1 1 385.489 3.629 20 5 GHBDMO Cc1cccc(C[C@]2(C)CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001175034651 907346997 /nfs/dbraw/zinc/34/69/97/907346997.db2.gz AVIFFKQMSWQDDV-QFIPXVFZSA-N 1 1 381.476 3.963 20 5 GHBDMO Cc1c(CC(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001175256351 907471181 /nfs/dbraw/zinc/47/11/81/907471181.db2.gz VCYYIOWRVVKVGG-OAQYLSRUSA-N 1 1 395.503 3.959 20 5 GHBDMO CC1(C)[C@H](c2ccccc2F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001175454711 907581496 /nfs/dbraw/zinc/58/14/96/907581496.db2.gz WHLDRLQGGSVKFK-SFHVURJKSA-N 1 1 397.450 3.891 20 5 GHBDMO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CCC1 ZINC000193210316 908179787 /nfs/dbraw/zinc/17/97/87/908179787.db2.gz XZCULCHNGNNYKA-UHFFFAOYSA-N 1 1 384.274 3.806 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000773632373 908488274 /nfs/dbraw/zinc/48/82/74/908488274.db2.gz LUANTSKFQAIMRJ-UHFFFAOYSA-N 1 1 389.496 3.860 20 5 GHBDMO COc1cccc2c1CC[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000193713750 908643817 /nfs/dbraw/zinc/64/38/17/908643817.db2.gz JQEBCRULQLRXJN-UHFFFAOYSA-N 1 1 379.416 3.859 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)CCC2 ZINC000192933040 908835415 /nfs/dbraw/zinc/83/54/15/908835415.db2.gz CESRMHSDFDXXRB-QHCPKHFHSA-N 1 1 395.503 3.719 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC001180064607 909923134 /nfs/dbraw/zinc/92/31/34/909923134.db2.gz PAWGMWDQXXJDBV-UHFFFAOYSA-N 1 1 386.399 3.782 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC001180064607 909923140 /nfs/dbraw/zinc/92/31/40/909923140.db2.gz PAWGMWDQXXJDBV-UHFFFAOYSA-N 1 1 386.399 3.782 20 5 GHBDMO COc1sc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1Br ZINC001180310659 910062031 /nfs/dbraw/zinc/06/20/31/910062031.db2.gz NSJUGKXBDATOAJ-UHFFFAOYSA-N 1 1 387.255 3.726 20 5 GHBDMO O=C(c1ccccc1)N1CC[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000283173930 911398366 /nfs/dbraw/zinc/39/83/66/911398366.db2.gz PPQNOKVVFZLZTQ-GOSISDBHSA-N 1 1 379.460 3.722 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@](CO)(c4ccccc4)C3)cs2)c1 ZINC000291175591 915018744 /nfs/dbraw/zinc/01/87/44/915018744.db2.gz FCCGQNIXQFKVRH-NRFANRHFSA-N 1 1 395.484 3.854 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000303754301 915083864 /nfs/dbraw/zinc/08/38/64/915083864.db2.gz MQMYQCCHNDDWIJ-HOTGVXAUSA-N 1 1 383.448 3.728 20 5 GHBDMO C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000303799992 915112061 /nfs/dbraw/zinc/11/20/61/915112061.db2.gz WOYQJRUDRUPJIZ-QUCCMNQESA-N 1 1 383.492 3.959 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303799992 915112069 /nfs/dbraw/zinc/11/20/69/915112069.db2.gz WOYQJRUDRUPJIZ-QUCCMNQESA-N 1 1 383.492 3.959 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303799992 915112080 /nfs/dbraw/zinc/11/20/80/915112080.db2.gz WOYQJRUDRUPJIZ-QUCCMNQESA-N 1 1 383.492 3.959 20 5 GHBDMO C[S@@](=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000294606197 916885561 /nfs/dbraw/zinc/88/55/61/916885561.db2.gz NYPXNQIZIGJEDC-YHAMSUFESA-N 1 1 386.395 3.823 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)n2)c1 ZINC000361998453 917023857 /nfs/dbraw/zinc/02/38/57/917023857.db2.gz SDUMOVFVVABVMP-VQIMIIECSA-N 1 1 380.404 3.512 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000119288845 919617775 /nfs/dbraw/zinc/61/77/75/919617775.db2.gz ULIYSUSSKKZXBG-OAHLLOKOSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000119288845 919617782 /nfs/dbraw/zinc/61/77/82/919617782.db2.gz ULIYSUSSKKZXBG-OAHLLOKOSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119798719 919655986 /nfs/dbraw/zinc/65/59/86/919655986.db2.gz BDTOQQUPDFTXDZ-GOSISDBHSA-N 1 1 397.450 3.531 20 5 GHBDMO CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000800466443 920134409 /nfs/dbraw/zinc/13/44/09/920134409.db2.gz ATZSISWTXOFUMX-OXQOHEQNSA-N 1 1 385.464 3.758 20 5 GHBDMO Cc1nn(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000800864348 920542204 /nfs/dbraw/zinc/54/22/04/920542204.db2.gz RWGSBOIMGZFFHR-CQSZACIVSA-N 1 1 383.374 3.660 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000800864348 920542217 /nfs/dbraw/zinc/54/22/17/920542217.db2.gz RWGSBOIMGZFFHR-CQSZACIVSA-N 1 1 383.374 3.660 20 5 GHBDMO COCCn1cc2c(n1)[C@H]([NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCC2 ZINC000368088744 922467344 /nfs/dbraw/zinc/46/73/44/922467344.db2.gz ZUKXGJUGAFSYQR-LJQANCHMSA-N 1 1 396.447 3.865 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1F ZINC000827714427 925935861 /nfs/dbraw/zinc/93/58/61/925935861.db2.gz CMVHAMYJJIKMTC-LSDHHAIUSA-N 1 1 395.450 3.908 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)s1 ZINC000827943646 926370551 /nfs/dbraw/zinc/37/05/51/926370551.db2.gz YTSNPVKLTRAOBO-GFCCVEGCSA-N 1 1 395.868 3.871 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)s1 ZINC000827943646 926370558 /nfs/dbraw/zinc/37/05/58/926370558.db2.gz YTSNPVKLTRAOBO-GFCCVEGCSA-N 1 1 395.868 3.871 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000726182408 926580446 /nfs/dbraw/zinc/58/04/46/926580446.db2.gz DHPQADBISHOFSZ-VHSXEESVSA-N 1 1 379.766 3.542 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000749419934 927096785 /nfs/dbraw/zinc/09/67/85/927096785.db2.gz HTSRWQKEEZVRBW-DZWQLVLCSA-N 1 1 379.460 3.635 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000412214776 927217004 /nfs/dbraw/zinc/21/70/04/927217004.db2.gz GTEPXHZNOVSPIG-YRPNKDGESA-N 1 1 399.878 3.913 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000412214776 927217019 /nfs/dbraw/zinc/21/70/19/927217019.db2.gz GTEPXHZNOVSPIG-YRPNKDGESA-N 1 1 399.878 3.913 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000749831361 927303065 /nfs/dbraw/zinc/30/30/65/927303065.db2.gz PPIOLDHJZYOTLB-HNAYVOBHSA-N 1 1 384.505 3.792 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750095889 927432315 /nfs/dbraw/zinc/43/23/15/927432315.db2.gz LXJADOUIMNXEMN-GOSISDBHSA-N 1 1 391.855 3.632 20 5 GHBDMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750095889 927432323 /nfs/dbraw/zinc/43/23/23/927432323.db2.gz LXJADOUIMNXEMN-GOSISDBHSA-N 1 1 391.855 3.632 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000750282343 927533409 /nfs/dbraw/zinc/53/34/09/927533409.db2.gz FFFFDEDEUMCECO-MRXNPFEDSA-N 1 1 393.484 3.682 20 5 GHBDMO O=C(Oc1cccc([N+](=O)[O-])c1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000751041074 927998694 /nfs/dbraw/zinc/99/86/94/927998694.db2.gz VYZYEPXVEOAMPV-GOSISDBHSA-N 1 1 394.349 3.955 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000413040591 928132522 /nfs/dbraw/zinc/13/25/22/928132522.db2.gz WELCDFWNWVLCIM-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c2cccnc21 ZINC000413046339 928138583 /nfs/dbraw/zinc/13/85/83/928138583.db2.gz NTWXEMSZLVRSQD-HXUWFJFHSA-N 1 1 378.432 3.628 20 5 GHBDMO C/C(=C\C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751983011 928527732 /nfs/dbraw/zinc/52/77/32/928527732.db2.gz DIGHTMGOLBXTOY-POLXVDLBSA-N 1 1 393.487 3.679 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000544069878 928764008 /nfs/dbraw/zinc/76/40/08/928764008.db2.gz VEHQUOBAWYHNIE-QGZVFWFLSA-N 1 1 376.840 3.653 20 5 GHBDMO COc1ccc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000467167162 928780148 /nfs/dbraw/zinc/78/01/48/928780148.db2.gz ALFSTGLEHFEGHL-OAHLLOKOSA-N 1 1 383.448 3.810 20 5 GHBDMO CCOc1cccc(N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c1[N+](=O)[O-] ZINC000544353621 929084953 /nfs/dbraw/zinc/08/49/53/929084953.db2.gz VIDGGQFHJVANLZ-UHFFFAOYSA-N 1 1 385.464 3.714 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467696734 929311807 /nfs/dbraw/zinc/31/18/07/929311807.db2.gz JOUHELFJYBWHNQ-RHSMWYFYSA-N 1 1 385.489 3.710 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000544597593 929325141 /nfs/dbraw/zinc/32/51/41/929325141.db2.gz MWZXDVYLNCJLKF-KRWDZBQOSA-N 1 1 379.254 3.879 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469451912 929905916 /nfs/dbraw/zinc/90/59/16/929905916.db2.gz HICFDDGTPULBNO-CQSZACIVSA-N 1 1 389.402 4.000 20 5 GHBDMO Cc1c(CC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000469482570 929928891 /nfs/dbraw/zinc/92/88/91/929928891.db2.gz VLHXSINAAAWSKJ-FQEVSTJZSA-N 1 1 383.492 3.719 20 5 GHBDMO CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546183709 929936166 /nfs/dbraw/zinc/93/61/66/929936166.db2.gz AUYHWKBJOHSPRG-OAQYLSRUSA-N 1 1 381.476 3.650 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)sc2c1 ZINC000758134957 929938663 /nfs/dbraw/zinc/93/86/63/929938663.db2.gz LXZUPWRZWGEOFW-QGZVFWFLSA-N 1 1 398.488 3.908 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758336262 930013987 /nfs/dbraw/zinc/01/39/87/930013987.db2.gz TZQFRQJNDZHCRP-DNVCBOLYSA-N 1 1 384.411 3.882 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000546398694 930125664 /nfs/dbraw/zinc/12/56/64/930125664.db2.gz ROQXIMZZFAOWPQ-INIZCTEOSA-N 1 1 379.420 3.728 20 5 GHBDMO Cc1c(Cc2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cccc1[N+](=O)[O-] ZINC000546493412 930212382 /nfs/dbraw/zinc/21/23/82/930212382.db2.gz AQBUSPWAOLCQMU-SFHVURJKSA-N 1 1 393.447 3.652 20 5 GHBDMO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470675296 930812387 /nfs/dbraw/zinc/81/23/87/930812387.db2.gz QHZMKVLVQINWQB-SFHVURJKSA-N 1 1 387.867 3.985 20 5 GHBDMO COC(=O)/C=C\c1ccc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000781395429 930829086 /nfs/dbraw/zinc/82/90/86/930829086.db2.gz YXVOTLQRGODBHM-HVVKQCCMSA-N 1 1 387.480 3.846 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000470837074 930956497 /nfs/dbraw/zinc/95/64/97/930956497.db2.gz RXMJXQLYDSHOIO-RDJZCZTQSA-N 1 1 383.448 3.559 20 5 GHBDMO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000781976338 931047890 /nfs/dbraw/zinc/04/78/90/931047890.db2.gz GDXLLTREECJXKY-UHFFFAOYSA-N 1 1 390.440 3.615 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccc(C)cc3C)C2)c([N+](=O)[O-])c1 ZINC000470994305 931083371 /nfs/dbraw/zinc/08/33/71/931083371.db2.gz FKXAWIXKWVQZSY-INIZCTEOSA-N 1 1 383.448 3.648 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccc(C)cc3C)C2)c([N+](=O)[O-])c1 ZINC000470994305 931083381 /nfs/dbraw/zinc/08/33/81/931083381.db2.gz FKXAWIXKWVQZSY-INIZCTEOSA-N 1 1 383.448 3.648 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](c2ccccc2F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782496334 931242447 /nfs/dbraw/zinc/24/24/47/931242447.db2.gz NLIRONNZCHZHCJ-ZDUSSCGKSA-N 1 1 375.375 3.691 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000782893105 931359093 /nfs/dbraw/zinc/35/90/93/931359093.db2.gz CYBNEGBCEGWGCS-FQEVSTJZSA-N 1 1 393.447 3.829 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000782893105 931359096 /nfs/dbraw/zinc/35/90/96/931359096.db2.gz CYBNEGBCEGWGCS-FQEVSTJZSA-N 1 1 393.447 3.829 20 5 GHBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000557566030 931545235 /nfs/dbraw/zinc/54/52/35/931545235.db2.gz VLMHJAMMKAAKQK-HNNXBMFYSA-N 1 1 385.489 3.818 20 5 GHBDMO Cc1ccc(N(C)[C@H]2CCC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000784376829 931874473 /nfs/dbraw/zinc/87/44/73/931874473.db2.gz CXDAFIOKSLJTNQ-IBGZPJMESA-N 1 1 396.491 3.751 20 5 GHBDMO Cc1ccc(N(C)[C@H]2CCC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000784376829 931874474 /nfs/dbraw/zinc/87/44/74/931874474.db2.gz CXDAFIOKSLJTNQ-IBGZPJMESA-N 1 1 396.491 3.751 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000796678016 932027185 /nfs/dbraw/zinc/02/71/85/932027185.db2.gz GMJPJHYDDIWMNV-QGZVFWFLSA-N 1 1 391.468 3.627 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000796678016 932027193 /nfs/dbraw/zinc/02/71/93/932027193.db2.gz GMJPJHYDDIWMNV-QGZVFWFLSA-N 1 1 391.468 3.627 20 5 GHBDMO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558738993 932204405 /nfs/dbraw/zinc/20/44/05/932204405.db2.gz AWPCOWQGBCAUGQ-SFHVURJKSA-N 1 1 387.505 3.667 20 5 GHBDMO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558738993 932204411 /nfs/dbraw/zinc/20/44/11/932204411.db2.gz AWPCOWQGBCAUGQ-SFHVURJKSA-N 1 1 387.505 3.667 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000797336728 932252946 /nfs/dbraw/zinc/25/29/46/932252946.db2.gz FCHSLTWVTHGQFZ-HXUWFJFHSA-N 1 1 398.459 3.818 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000797518349 932318178 /nfs/dbraw/zinc/31/81/78/932318178.db2.gz CFUPCGOZHHCFTJ-IBGZPJMESA-N 1 1 382.416 3.932 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000797518349 932318185 /nfs/dbraw/zinc/31/81/85/932318185.db2.gz CFUPCGOZHHCFTJ-IBGZPJMESA-N 1 1 382.416 3.932 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c2ccc([N+](=O)[O-])cc12 ZINC000799943194 933182020 /nfs/dbraw/zinc/18/20/20/933182020.db2.gz QQQZOWBEJVAQAW-INIZCTEOSA-N 1 1 394.479 3.623 20 5 GHBDMO COc1ccc(C[N@H+](CC2CC2)Cn2ncc3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000799959322 933189115 /nfs/dbraw/zinc/18/91/15/933189115.db2.gz YEEOPCUKABHXNB-UHFFFAOYSA-N 1 1 396.447 3.831 20 5 GHBDMO COc1ccc(C[N@@H+](CC2CC2)Cn2ncc3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000799959322 933189119 /nfs/dbraw/zinc/18/91/19/933189119.db2.gz YEEOPCUKABHXNB-UHFFFAOYSA-N 1 1 396.447 3.831 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)nc2c1 ZINC001116350588 933501893 /nfs/dbraw/zinc/50/18/93/933501893.db2.gz GHQGVCPXZTYFIS-CYBMUJFWSA-N 1 1 377.404 3.992 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000777806467 933544737 /nfs/dbraw/zinc/54/47/37/933544737.db2.gz AKSLAUGXBHODKR-HKUYNNGSSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000777806467 933544747 /nfs/dbraw/zinc/54/47/47/933544747.db2.gz AKSLAUGXBHODKR-HKUYNNGSSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000777806467 933544755 /nfs/dbraw/zinc/54/47/55/933544755.db2.gz AKSLAUGXBHODKR-HKUYNNGSSA-N 1 1 399.495 3.674 20 5 GHBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)cc2)C1 ZINC000829422734 935808591 /nfs/dbraw/zinc/80/85/91/935808591.db2.gz JOCBDWFCKLBQHA-AWEZNQCLSA-N 1 1 387.411 3.707 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000829871966 935876019 /nfs/dbraw/zinc/87/60/19/935876019.db2.gz FUDLCCGWTLBKIM-ZWKOTPCHSA-N 1 1 386.839 3.995 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000829871966 935876022 /nfs/dbraw/zinc/87/60/22/935876022.db2.gz FUDLCCGWTLBKIM-ZWKOTPCHSA-N 1 1 386.839 3.995 20 5 GHBDMO CCc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000545476761 1015918538 /nfs/dbraw/zinc/91/85/38/1015918538.db2.gz HNGWSIZOACLDBI-HXUWFJFHSA-N 1 1 381.476 3.894 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001227123442 1032280029 /nfs/dbraw/zinc/28/00/29/1032280029.db2.gz CGKDMDYYZWYYLU-PIIMJCKOSA-N 1 1 396.443 3.956 20 5 GHBDMO Cc1ccc(N2CCC(Oc3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)CC2)[nH+]c1 ZINC001227221279 1032328386 /nfs/dbraw/zinc/32/83/86/1032328386.db2.gz QDZLYWLAAVKAEI-UHFFFAOYSA-N 1 1 380.404 3.600 20 5 GHBDMO Cc1cc[nH+]c(N2CCC(Oc3nc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)c1 ZINC001227247345 1032341064 /nfs/dbraw/zinc/34/10/64/1032341064.db2.gz XLLAVKGHNOFKHC-UHFFFAOYSA-N 1 1 382.342 3.760 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001227296353 1032360076 /nfs/dbraw/zinc/36/00/76/1032360076.db2.gz WIHZGJCSXRWSMW-QRWLVFNGSA-N 1 1 384.432 3.671 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001227333986 1032378139 /nfs/dbraw/zinc/37/81/39/1032378139.db2.gz AQAPBOYVCGCRDS-SWLSCSKDSA-N 1 1 376.844 3.636 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001221792870 1032536585 /nfs/dbraw/zinc/53/65/85/1032536585.db2.gz XXCJFUXZRWKTIX-INIZCTEOSA-N 1 1 382.892 3.702 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243123 1032859419 /nfs/dbraw/zinc/85/94/19/1032859419.db2.gz UMDSUGAAUNHFDW-IFXJQAMLSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243123 1032859434 /nfs/dbraw/zinc/85/94/34/1032859434.db2.gz UMDSUGAAUNHFDW-IFXJQAMLSA-N 1 1 394.431 3.533 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000576546598 1020028983 /nfs/dbraw/zinc/02/89/83/1020028983.db2.gz SLJQQFFJYKAWQL-UHFFFAOYSA-N 1 1 393.871 3.683 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccccc2Br)cc1F ZINC000801539089 1021409694 /nfs/dbraw/zinc/40/96/94/1021409694.db2.gz UUDIDWIDEJBVNG-HNNXBMFYSA-N 1 1 383.217 3.710 20 5 GHBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)n1 ZINC001156332984 1032990090 /nfs/dbraw/zinc/99/00/90/1032990090.db2.gz SEEFRVDOOSGBSY-BBRMVZONSA-N 1 1 389.887 3.693 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000755066252 1023057053 /nfs/dbraw/zinc/05/70/53/1023057053.db2.gz PJURCXVOKCPGBR-GDBMZVCRSA-N 1 1 393.484 3.871 20 5 GHBDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000755162539 1023102761 /nfs/dbraw/zinc/10/27/61/1023102761.db2.gz JWZAJKPMPIRXRF-ACJLOTCBSA-N 1 1 382.420 3.591 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000755494077 1023271277 /nfs/dbraw/zinc/27/12/77/1023271277.db2.gz NLORVSZZDJOXLT-BGHSRAONSA-N 1 1 379.460 3.777 20 5 GHBDMO COc1ccc(C(=O)O[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000755869310 1023410388 /nfs/dbraw/zinc/41/03/88/1023410388.db2.gz HQTZEMRICWVBPQ-CRAIPNDOSA-N 1 1 384.432 3.671 20 5 GHBDMO COc1ccc(C(=O)O[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000755869736 1023411567 /nfs/dbraw/zinc/41/15/67/1023411567.db2.gz HQTZEMRICWVBPQ-YJBOKZPZSA-N 1 1 384.432 3.671 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(C)c(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC001141295007 1024430236 /nfs/dbraw/zinc/43/02/36/1024430236.db2.gz RJPLZHRNRPOSOR-UHFFFAOYSA-N 1 1 381.476 3.868 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000831538352 1024626620 /nfs/dbraw/zinc/62/66/20/1024626620.db2.gz BBACTFVKSPYZDE-MRXNPFEDSA-N 1 1 398.419 3.711 20 5 GHBDMO COC(=O)c1c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001229049825 1033249733 /nfs/dbraw/zinc/24/97/33/1033249733.db2.gz NEHUVRYCSXUJGB-BCDXTJNWSA-N 1 1 396.443 3.956 20 5 GHBDMO COC(=O)c1c(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cccc1[N+](=O)[O-] ZINC001229049845 1033250129 /nfs/dbraw/zinc/25/01/29/1033250129.db2.gz NYVRNAKKDLKMIQ-JENIJYKNSA-N 1 1 396.443 3.671 20 5 GHBDMO CC[N@H+]1C[C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156828539 1033263045 /nfs/dbraw/zinc/26/30/45/1033263045.db2.gz QVMJAFOCNSJNBM-HXUWFJFHSA-N 1 1 396.491 3.667 20 5 GHBDMO COCC[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832533931 1025663266 /nfs/dbraw/zinc/66/32/66/1025663266.db2.gz DAIGOXWMGJJFKH-GOSISDBHSA-N 1 1 382.819 3.569 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001162244456 1025688939 /nfs/dbraw/zinc/68/89/39/1025688939.db2.gz LAFPCNZDYYTCOT-HZSPNIEDSA-N 1 1 376.888 3.997 20 5 GHBDMO COC(=O)Cc1ccc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001162303073 1025707186 /nfs/dbraw/zinc/70/71/86/1025707186.db2.gz ITXHQCHGDJIBQX-IBGZPJMESA-N 1 1 397.475 3.634 20 5 GHBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001141609501 1025877375 /nfs/dbraw/zinc/87/73/75/1025877375.db2.gz LAWQVEBIXIIGAT-SECBINFHSA-N 1 1 380.247 3.891 20 5 GHBDMO CC[C@](C)([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000839522158 1026005820 /nfs/dbraw/zinc/00/58/20/1026005820.db2.gz UJGQKVXZAMDVAR-INIZCTEOSA-N 1 1 382.873 3.867 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001141701868 1026285887 /nfs/dbraw/zinc/28/58/87/1026285887.db2.gz GXBYXQTVOYJACH-IYBDPMFKSA-N 1 1 396.491 3.585 20 5 GHBDMO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001163831121 1026331832 /nfs/dbraw/zinc/33/18/32/1026331832.db2.gz KCCGMBCSJGEMOU-GXVATQTDSA-N 1 1 395.459 3.776 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000840129858 1027258821 /nfs/dbraw/zinc/25/88/21/1027258821.db2.gz HWSLUBKGYAANCS-UXHICEINSA-N 1 1 382.464 3.697 20 5 GHBDMO COc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])cc1O ZINC001461228703 1069452065 /nfs/dbraw/zinc/45/20/65/1069452065.db2.gz DWLLITWGRBJELT-DJJJIMSYSA-N 1 1 391.493 3.543 20 5 GHBDMO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210955257 1027719648 /nfs/dbraw/zinc/71/96/48/1027719648.db2.gz ZIBVVXLQWLSKEJ-UHFFFAOYSA-N 1 1 386.383 3.643 20 5 GHBDMO CC(C)Oc1cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001142239741 1028450821 /nfs/dbraw/zinc/45/08/21/1028450821.db2.gz KHPLWYUKWZLCPA-HNNXBMFYSA-N 1 1 377.485 3.622 20 5 GHBDMO CN1C(=O)[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc21 ZINC001461629468 1069648030 /nfs/dbraw/zinc/64/80/30/1069648030.db2.gz IFJZPPMMQYWAJZ-GOSISDBHSA-N 1 1 377.400 3.532 20 5 GHBDMO COC(=O)C1=C[C@@H](O[C@@H](C)c2cccc([N+](=O)[O-])c2)C[N@@H+](Cc2ccccc2)C1 ZINC001223427335 1030569473 /nfs/dbraw/zinc/56/94/73/1030569473.db2.gz LKPJSHFCGWVWEK-HRAATJIYSA-N 1 1 396.443 3.656 20 5 GHBDMO O=[N+]([O-])c1cc(CO[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc([N+](=O)[O-])c1 ZINC001223489935 1030602121 /nfs/dbraw/zinc/60/21/21/1030602121.db2.gz KNSWJBBVDKHJES-GOSISDBHSA-N 1 1 391.811 3.948 20 5 GHBDMO COC(=O)[C@H](O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001223648078 1030681716 /nfs/dbraw/zinc/68/17/16/1030681716.db2.gz LWQHFIVEAYPOBS-TYCQWZJGSA-N 1 1 398.459 3.736 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4CCC[NH2+]C[C@H]4F)ccc3c21 ZINC001217950150 1030682548 /nfs/dbraw/zinc/68/25/48/1030682548.db2.gz XYPKQJQSUDZEKG-CVEARBPZSA-N 1 1 383.375 3.867 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4C[C@@H]5CC[NH2+][C@H]5C4)ccc3c21 ZINC001218248781 1030851526 /nfs/dbraw/zinc/85/15/26/1030851526.db2.gz VCEHYGRHKYWZTA-KHIZAZIESA-N 1 1 377.396 3.917 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001224096998 1030882169 /nfs/dbraw/zinc/88/21/69/1030882169.db2.gz PKTNSYMADBZRLU-FOIQADDNSA-N 1 1 385.420 3.930 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(F)cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001225779442 1031600396 /nfs/dbraw/zinc/60/03/96/1031600396.db2.gz OJWQJBMGDHHDNU-HNNXBMFYSA-N 1 1 378.375 3.543 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001225895839 1031682257 /nfs/dbraw/zinc/68/22/57/1031682257.db2.gz YMWMZXYWWINSQF-CQSZACIVSA-N 1 1 395.774 3.949 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001225895839 1031682266 /nfs/dbraw/zinc/68/22/66/1031682266.db2.gz YMWMZXYWWINSQF-CQSZACIVSA-N 1 1 395.774 3.949 20 5 GHBDMO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)C1 ZINC001219980902 1031729116 /nfs/dbraw/zinc/72/91/16/1031729116.db2.gz QOFGDSBGNMKEEV-KOSHJBKYSA-N 1 1 389.543 3.711 20 5 GHBDMO C[N@H+]1CCC[C@H](CCNC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)C1 ZINC001219980902 1031729125 /nfs/dbraw/zinc/72/91/25/1031729125.db2.gz QOFGDSBGNMKEEV-KOSHJBKYSA-N 1 1 389.543 3.711 20 5 GHBDMO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001229235690 1033357767 /nfs/dbraw/zinc/35/77/67/1033357767.db2.gz YALPQVMGHMZNJX-DRXBFXEBSA-N 1 1 397.269 3.669 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001205504313 1033443997 /nfs/dbraw/zinc/44/39/97/1033443997.db2.gz ZDZQYTMYSDGSGR-AWEZNQCLSA-N 1 1 387.427 3.618 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001205641382 1033506863 /nfs/dbraw/zinc/50/68/63/1033506863.db2.gz GHAIEONLRGWTSM-YOEHRIQHSA-N 1 1 386.427 3.909 20 5 GHBDMO Cn1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(-c2cc(F)ccc2F)n1 ZINC001205756265 1033560512 /nfs/dbraw/zinc/56/05/12/1033560512.db2.gz VBEFNPJRTPEHFD-UHFFFAOYSA-N 1 1 386.402 3.948 20 5 GHBDMO O=c1oc2cc(O[C@H]3CC[C@H]([NH+]4CCOCC4)CC3)ccc2c2ccc(O)cc12 ZINC001229797451 1033722727 /nfs/dbraw/zinc/72/27/27/1033722727.db2.gz BUDDERBHJCDEPW-JCNLHEQBSA-N 1 1 395.455 3.674 20 5 GHBDMO CO[C@H](C)CCOc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229808055 1033730933 /nfs/dbraw/zinc/73/09/33/1033730933.db2.gz NASKZMQRZOQNQC-OAHLLOKOSA-N 1 1 381.476 3.692 20 5 GHBDMO COC(=O)[C@@H](C)Oc1ccccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001461872721 1069818511 /nfs/dbraw/zinc/81/85/11/1069818511.db2.gz SQSSTQXHJZZNDU-OAHLLOKOSA-N 1 1 384.432 3.700 20 5 GHBDMO COC(=O)[C@@H](C)Oc1ccccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001461872721 1069818537 /nfs/dbraw/zinc/81/85/37/1069818537.db2.gz SQSSTQXHJZZNDU-OAHLLOKOSA-N 1 1 384.432 3.700 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC001206376160 1033820346 /nfs/dbraw/zinc/82/03/46/1033820346.db2.gz BCXSFEUMNFCFFB-DTQAZKPQSA-N 1 1 393.443 3.616 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001461872810 1069817426 /nfs/dbraw/zinc/81/74/26/1069817426.db2.gz UTXVFXZULWHLNA-KKSFZXQISA-N 1 1 387.480 3.816 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001461872808 1069818120 /nfs/dbraw/zinc/81/81/20/1069818120.db2.gz UTXVFXZULWHLNA-IIBYNOLFSA-N 1 1 387.480 3.816 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001230251457 1033962633 /nfs/dbraw/zinc/96/26/33/1033962633.db2.gz VPQOSXDEIGJRPN-HFSMHLIXSA-N 1 1 395.459 3.843 20 5 GHBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001230464354 1034074052 /nfs/dbraw/zinc/07/40/52/1034074052.db2.gz HNCKIJQBJLGEFU-DFQSSKMNSA-N 1 1 386.496 3.501 20 5 GHBDMO COC(=O)c1ccc([C@H]2CCCN2c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)cc1 ZINC001158598691 1034189997 /nfs/dbraw/zinc/18/99/97/1034189997.db2.gz VITUNTHDCNMLLO-NCUBBLFSSA-N 1 1 396.447 3.650 20 5 GHBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC001207415093 1034351517 /nfs/dbraw/zinc/35/15/17/1034351517.db2.gz JNIIMCYYQBGCMV-CYBMUJFWSA-N 1 1 386.452 3.605 20 5 GHBDMO O=[N+]([O-])c1cccc2cc(OC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)cnc21 ZINC001231157046 1034432417 /nfs/dbraw/zinc/43/24/17/1034432417.db2.gz YDHPNDPVLCGYJH-HXUWFJFHSA-N 1 1 393.443 3.813 20 5 GHBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001159287676 1034525100 /nfs/dbraw/zinc/52/51/00/1034525100.db2.gz CHYNIWOEOSGDIV-PHZGNYQRSA-N 1 1 387.871 3.954 20 5 GHBDMO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@@]4(C[C@H](OCC5CC5)CO4)C3)nc12 ZINC001232221913 1035170175 /nfs/dbraw/zinc/17/01/75/1035170175.db2.gz MIEKOOVDMWCEPO-XUZZJYLKSA-N 1 1 389.499 3.943 20 5 GHBDMO CCOC[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2cnn(C)c21 ZINC001232223086 1035170285 /nfs/dbraw/zinc/17/02/85/1035170285.db2.gz UUPRIPNLNIWESI-IBGZPJMESA-N 1 1 387.487 3.652 20 5 GHBDMO CCOC[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2cnn(C)c21 ZINC001232223086 1035170288 /nfs/dbraw/zinc/17/02/88/1035170288.db2.gz UUPRIPNLNIWESI-IBGZPJMESA-N 1 1 387.487 3.652 20 5 GHBDMO CCN(Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001461948004 1069908644 /nfs/dbraw/zinc/90/86/44/1069908644.db2.gz HOQQLWGUJJBWOJ-APWZRJJASA-N 1 1 399.491 3.966 20 5 GHBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC001161242650 1035189648 /nfs/dbraw/zinc/18/96/48/1035189648.db2.gz KLHQSODHPVCVEL-MRXNPFEDSA-N 1 1 382.464 3.800 20 5 GHBDMO Cc1c(F)ccc(-c2noc([C@@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c1Cl ZINC001248209952 1035641292 /nfs/dbraw/zinc/64/12/92/1035641292.db2.gz GIQFINYWHRNDTR-AWEZNQCLSA-N 1 1 376.775 3.988 20 5 GHBDMO CCc1ccc(C[N@H+](CCN)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001246354824 1037313025 /nfs/dbraw/zinc/31/30/25/1037313025.db2.gz ZMWJQPAGOFYRSO-UHFFFAOYSA-N 1 1 382.508 3.587 20 5 GHBDMO CCc1ccc(C[N@@H+](CCN)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001246354824 1037313044 /nfs/dbraw/zinc/31/30/44/1037313044.db2.gz ZMWJQPAGOFYRSO-UHFFFAOYSA-N 1 1 382.508 3.587 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2CC[NH2+]C3(CCCCC3)C2)c1F ZINC001246511438 1037450165 /nfs/dbraw/zinc/45/01/65/1037450165.db2.gz IYHHIFLSNNIEDO-LSDHHAIUSA-N 1 1 379.476 3.718 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001462236358 1070108867 /nfs/dbraw/zinc/10/88/67/1070108867.db2.gz SLQIKDMCOIIVQJ-FDFHNCONSA-N 1 1 393.487 3.869 20 5 GHBDMO C[C@H](Oc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234674343 1040205958 /nfs/dbraw/zinc/20/59/58/1040205958.db2.gz NRKZLVNWWIQGLC-KKSFZXQISA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@H](Oc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234674343 1040205977 /nfs/dbraw/zinc/20/59/77/1040205977.db2.gz NRKZLVNWWIQGLC-KKSFZXQISA-N 1 1 393.443 3.811 20 5 GHBDMO NC1(c2cccc(F)c2)CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254470792 1040256636 /nfs/dbraw/zinc/25/66/36/1040256636.db2.gz VJVWUSLFAKKDOK-UHFFFAOYSA-N 1 1 398.482 3.653 20 5 GHBDMO [NH3+]C1(c2ccccc2)CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254470733 1040256680 /nfs/dbraw/zinc/25/66/80/1040256680.db2.gz RTMJSTRCVDSOCG-UHFFFAOYSA-N 1 1 380.492 3.514 20 5 GHBDMO NC1(c2ccccc2)CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254470733 1040256693 /nfs/dbraw/zinc/25/66/93/1040256693.db2.gz RTMJSTRCVDSOCG-UHFFFAOYSA-N 1 1 380.492 3.514 20 5 GHBDMO CCCc1noc([C@H]2CCC[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)n1 ZINC001254479666 1040265880 /nfs/dbraw/zinc/26/58/80/1040265880.db2.gz GYMDPAKZULLWPX-INIZCTEOSA-N 1 1 399.495 3.779 20 5 GHBDMO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480287 1040266536 /nfs/dbraw/zinc/26/65/36/1040266536.db2.gz CZSNRFVHMABDAT-INIZCTEOSA-N 1 1 389.496 3.617 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H]3COCc3ccccc3)CC2)cc1 ZINC001254479456 1040266697 /nfs/dbraw/zinc/26/66/97/1040266697.db2.gz ZXIIOBBGNCDWOZ-JOCHJYFZSA-N 1 1 381.476 3.855 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001254551501 1040319672 /nfs/dbraw/zinc/31/96/72/1040319672.db2.gz CHSRQDHIJACZRA-FOIQADDNSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254553122 1040321655 /nfs/dbraw/zinc/32/16/55/1040321655.db2.gz STAXDHOIMNBLNN-RDJZCZTQSA-N 1 1 389.496 3.715 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cnn(CC3CC3)c21 ZINC001254556391 1040326962 /nfs/dbraw/zinc/32/69/62/1040326962.db2.gz KRVLILHMUAFKGF-UZLBHIALSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001254557579 1040327722 /nfs/dbraw/zinc/32/77/22/1040327722.db2.gz QIIHAPVEUORSLX-UQASEVPWSA-N 1 1 397.450 3.511 20 5 GHBDMO CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001254560467 1040332118 /nfs/dbraw/zinc/33/21/18/1040332118.db2.gz SXUOZABAOOZVTE-NVXWUHKLSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2c(F)cccc2F)CC1 ZINC001254564387 1040338620 /nfs/dbraw/zinc/33/86/20/1040338620.db2.gz LAHBGNSUMBSDKN-HNNXBMFYSA-N 1 1 375.419 3.622 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001254563817 1040338663 /nfs/dbraw/zinc/33/86/63/1040338663.db2.gz DDVRMNAOSVERFA-OYHNWAKOSA-N 1 1 380.444 3.867 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(c3ccccc3C(F)(F)F)COC1)C2 ZINC001254575764 1040352509 /nfs/dbraw/zinc/35/25/09/1040352509.db2.gz TTWREEIQDREIPO-AWEZNQCLSA-N 1 1 378.350 3.596 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594571 1040367487 /nfs/dbraw/zinc/36/74/87/1040367487.db2.gz RRQMRPAYBATTGS-GHTZIAJQSA-N 1 1 387.480 3.537 20 5 GHBDMO O=[N+]([O-])c1cccc(OCc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255365198 1040963869 /nfs/dbraw/zinc/96/38/69/1040963869.db2.gz LUSHDZCGIHORMB-INIZCTEOSA-N 1 1 380.404 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc(CCc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC001255376629 1040969096 /nfs/dbraw/zinc/96/90/96/1040969096.db2.gz PFCFFISOHWRYQC-GOSISDBHSA-N 1 1 378.432 3.753 20 5 GHBDMO O=[N+]([O-])c1ccc(Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1F ZINC001255446327 1041048988 /nfs/dbraw/zinc/04/89/88/1041048988.db2.gz UVXHRFKDQDXUPC-MRXNPFEDSA-N 1 1 382.395 3.697 20 5 GHBDMO O=[N+]([O-])c1c(F)cc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1F ZINC001255485599 1041083458 /nfs/dbraw/zinc/08/34/58/1041083458.db2.gz BBTIRBRBFIBDES-CYBMUJFWSA-N 1 1 386.358 3.913 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1-c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255487961 1041085090 /nfs/dbraw/zinc/08/50/90/1041085090.db2.gz UPHGTLSJWVRANV-OAHLLOKOSA-N 1 1 380.404 3.643 20 5 GHBDMO CN(C)c1ccc([N+](=O)[O-])cc1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255496924 1041090654 /nfs/dbraw/zinc/09/06/54/1041090654.db2.gz ZACHUXJUKAQBGC-INIZCTEOSA-N 1 1 393.447 3.700 20 5 GHBDMO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000478839523 1044604464 /nfs/dbraw/zinc/60/44/64/1044604464.db2.gz YFKGAYLUVAZAFA-ZBEGNZNMSA-N 1 1 377.803 3.843 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)CC1 ZINC001296061152 1045237622 /nfs/dbraw/zinc/23/76/22/1045237622.db2.gz VKJPNAKWLULUCB-LJQANCHMSA-N 1 1 398.511 3.574 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001261260759 1045945478 /nfs/dbraw/zinc/94/54/78/1045945478.db2.gz XMUXKEGDUYCPTP-AEFFLSMTSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001261260759 1045945485 /nfs/dbraw/zinc/94/54/85/1045945485.db2.gz XMUXKEGDUYCPTP-AEFFLSMTSA-N 1 1 391.830 3.871 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001261334901 1045974037 /nfs/dbraw/zinc/97/40/37/1045974037.db2.gz DDKQGOPOKQGHTC-XDNSSPFJSA-N 1 1 393.487 3.839 20 5 GHBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001303273067 1047335412 /nfs/dbraw/zinc/33/54/12/1047335412.db2.gz PXECTPUSJDKMHZ-WOJBJXKFSA-N 1 1 394.475 3.516 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1C1CCCC1 ZINC001303540774 1047420646 /nfs/dbraw/zinc/42/06/46/1047420646.db2.gz UQBUBEHHIJXODT-GFCCVEGCSA-N 1 1 385.386 3.703 20 5 GHBDMO C[C@@H](c1cccc(Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001306961738 1048981388 /nfs/dbraw/zinc/98/13/88/1048981388.db2.gz HHGQEEWHVXURCY-AWEZNQCLSA-N 1 1 396.422 3.841 20 5 GHBDMO CCCN(CC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])c(C)c1Br ZINC001307116153 1049085347 /nfs/dbraw/zinc/08/53/47/1049085347.db2.gz HOYAUUKZOTXSAV-UHFFFAOYSA-N 1 1 385.306 3.763 20 5 GHBDMO Cc1cc(C)nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 ZINC001307454419 1049290772 /nfs/dbraw/zinc/29/07/72/1049290772.db2.gz UBGUUVPPMVMJCL-UHFFFAOYSA-N 1 1 394.397 3.948 20 5 GHBDMO CC1(C)C[C@H]([N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2)CO1 ZINC001307926844 1049701404 /nfs/dbraw/zinc/70/14/04/1049701404.db2.gz LWCPUMOMVWPDFI-SFHVURJKSA-N 1 1 397.475 3.993 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001307929912 1049701904 /nfs/dbraw/zinc/70/19/04/1049701904.db2.gz BZXMLPVFBOYPLH-NRFANRHFSA-N 1 1 383.492 3.946 20 5 GHBDMO COc1ccc(OCC[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])cc1 ZINC001308184323 1049904493 /nfs/dbraw/zinc/90/44/93/1049904493.db2.gz DCKKOUZRKWGPBW-UHFFFAOYSA-N 1 1 381.226 3.535 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(F)c2I)cc1 ZINC001308216086 1049916339 /nfs/dbraw/zinc/91/63/39/1049916339.db2.gz XZGLZSFFUMUUMZ-UHFFFAOYSA-N 1 1 386.164 3.628 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001328986812 1050686610 /nfs/dbraw/zinc/68/66/10/1050686610.db2.gz HVOUUVKRMOWQFJ-WMZOPIPTSA-N 1 1 396.491 3.762 20 5 GHBDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)C1 ZINC001311261197 1051974939 /nfs/dbraw/zinc/97/49/39/1051974939.db2.gz ZYYNIOKOEGBCDI-GFCCVEGCSA-N 1 1 388.390 3.775 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(Br)c1 ZINC001342948736 1053453216 /nfs/dbraw/zinc/45/32/16/1053453216.db2.gz FZIOTOSLWAEVLR-ZIAGYGMSSA-N 1 1 383.286 3.996 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+](C)Cc3ccc(C(N)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC001343328649 1053707433 /nfs/dbraw/zinc/70/74/33/1053707433.db2.gz UNWDISVTYSWXPD-UHFFFAOYSA-N 1 1 395.415 3.594 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001343931663 1054126619 /nfs/dbraw/zinc/12/66/19/1054126619.db2.gz LBLUPNQRBVOSSG-IEBWSBKVSA-N 1 1 385.439 3.573 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001343931663 1054126631 /nfs/dbraw/zinc/12/66/31/1054126631.db2.gz LBLUPNQRBVOSSG-IEBWSBKVSA-N 1 1 385.439 3.573 20 5 GHBDMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001344473991 1054504093 /nfs/dbraw/zinc/50/40/93/1054504093.db2.gz SEJUZWBLLFQQFK-QAPCUYQASA-N 1 1 398.463 3.636 20 5 GHBDMO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC001320371381 1055775901 /nfs/dbraw/zinc/77/59/01/1055775901.db2.gz GIZOAZRFFGGVRE-IBGZPJMESA-N 1 1 394.479 3.940 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(Br)c1 ZINC001320704840 1055934053 /nfs/dbraw/zinc/93/40/53/1055934053.db2.gz GXNWDSWEIFIJCT-GOSISDBHSA-N 1 1 389.249 3.989 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(Br)c1 ZINC001320704840 1055934057 /nfs/dbraw/zinc/93/40/57/1055934057.db2.gz GXNWDSWEIFIJCT-GOSISDBHSA-N 1 1 389.249 3.989 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001321427029 1056258758 /nfs/dbraw/zinc/25/87/58/1056258758.db2.gz PCGULMDXORKFJF-UHFFFAOYSA-N 1 1 394.225 3.940 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001321427029 1056258775 /nfs/dbraw/zinc/25/87/75/1056258775.db2.gz PCGULMDXORKFJF-UHFFFAOYSA-N 1 1 394.225 3.940 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC001354467722 1056689113 /nfs/dbraw/zinc/68/91/13/1056689113.db2.gz XKPSICZJNLDMJV-IBGZPJMESA-N 1 1 381.476 3.806 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC001354515886 1056732999 /nfs/dbraw/zinc/73/29/99/1056732999.db2.gz SLJSXEJUEFRKHK-GOSISDBHSA-N 1 1 399.516 3.982 20 5 GHBDMO CNc1ccc(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001448122914 1060113426 /nfs/dbraw/zinc/11/34/26/1060113426.db2.gz NLNMACLTOWWYPL-LJQANCHMSA-N 1 1 384.480 3.523 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001340929086 1060257233 /nfs/dbraw/zinc/25/72/33/1060257233.db2.gz MQJQFLVBDJHBBD-LSDHHAIUSA-N 1 1 393.447 3.678 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001340929086 1060257256 /nfs/dbraw/zinc/25/72/56/1060257256.db2.gz MQJQFLVBDJHBBD-LSDHHAIUSA-N 1 1 393.447 3.678 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001454395624 1061750735 /nfs/dbraw/zinc/75/07/35/1061750735.db2.gz COTHNOKLHSKYME-KDOFPFPSSA-N 1 1 387.867 3.889 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001454395621 1061751237 /nfs/dbraw/zinc/75/12/37/1061751237.db2.gz COTHNOKLHSKYME-KBXCAEBGSA-N 1 1 387.867 3.889 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC001435989041 1063066046 /nfs/dbraw/zinc/06/60/46/1063066046.db2.gz DGCRAWRJKLQPTH-LJQANCHMSA-N 1 1 387.867 3.889 20 5 GHBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001458170578 1063626717 /nfs/dbraw/zinc/62/67/17/1063626717.db2.gz UPUUMTZVJZKWCE-ZDUSSCGKSA-N 1 1 389.422 3.804 20 5 GHBDMO COC(=O)Cc1ccc(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c([N+](=O)[O-])c1 ZINC001458341374 1063755531 /nfs/dbraw/zinc/75/55/31/1063755531.db2.gz NOJSNPCLGJJGSU-HXUWFJFHSA-N 1 1 399.491 3.879 20 5 GHBDMO COC(=O)/C=C\c1ccc(NC[C@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC001458346104 1063757579 /nfs/dbraw/zinc/75/75/79/1063757579.db2.gz XBFRLBZQJUXFBC-SIKDUDHDSA-N 1 1 387.480 3.990 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001459825091 1064233991 /nfs/dbraw/zinc/23/39/91/1064233991.db2.gz FXWHDEYNCCICQW-KRWDZBQOSA-N 1 1 379.526 3.947 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1Cl ZINC001463473860 1064386158 /nfs/dbraw/zinc/38/61/58/1064386158.db2.gz PPUDJWNQIIOHGW-KDURUIRLSA-N 1 1 377.872 3.505 20 5 GHBDMO CC[N@@H+](CCNC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)CCC(F)(F)F ZINC001466686465 1066256009 /nfs/dbraw/zinc/25/60/09/1066256009.db2.gz QEXGUXIOWHCBDY-UHFFFAOYSA-N 1 1 396.797 3.952 20 5 GHBDMO C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@@H](c2ccccc2)C1 ZINC001467070600 1067048540 /nfs/dbraw/zinc/04/85/40/1067048540.db2.gz ZZBAXTYGJRADMZ-HXUWFJFHSA-N 1 1 391.431 3.664 20 5 GHBDMO C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@@H](c2ccccc2)C1 ZINC001467070600 1067048559 /nfs/dbraw/zinc/04/85/59/1067048559.db2.gz ZZBAXTYGJRADMZ-HXUWFJFHSA-N 1 1 391.431 3.664 20 5 GHBDMO COCC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CC[C@@H](C)C1 ZINC001473436663 1067557721 /nfs/dbraw/zinc/55/77/21/1067557721.db2.gz VLETZYMMKOYBSL-TZMCWYRMSA-N 1 1 394.859 3.935 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCC3(C)C)C2)cc1[N+](=O)[O-] ZINC001474595764 1067730535 /nfs/dbraw/zinc/73/05/35/1067730535.db2.gz YEGSVIPFLZGDKC-SJORKVTESA-N 1 1 390.480 3.795 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc4cc[nH]c4c3)C2)cc1 ZINC001460134809 1068802934 /nfs/dbraw/zinc/80/29/34/1068802934.db2.gz YNOJBDDBUYONNL-QUCCMNQESA-N 1 1 395.459 3.695 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC001460301015 1068914191 /nfs/dbraw/zinc/91/41/91/1068914191.db2.gz MTIRFKKXEDTSTA-MRXNPFEDSA-N 1 1 392.402 3.968 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCCC[C@H]2CO)cc1OC ZINC001460315498 1068921084 /nfs/dbraw/zinc/92/10/84/1068921084.db2.gz RWGBEFIVKJKOMH-WBVHZDCISA-N 1 1 380.485 3.765 20 5 GHBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](CO)c1cccc(Cl)c1Cl ZINC001460366476 1068944484 /nfs/dbraw/zinc/94/44/84/1068944484.db2.gz WKBYMWPPLXMQCJ-HNNXBMFYSA-N 1 1 385.247 3.946 20 5 GHBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](CO)c1cccc(Cl)c1Cl ZINC001460366476 1068944488 /nfs/dbraw/zinc/94/44/88/1068944488.db2.gz WKBYMWPPLXMQCJ-HNNXBMFYSA-N 1 1 385.247 3.946 20 5 GHBDMO CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001460430635 1068962187 /nfs/dbraw/zinc/96/21/87/1068962187.db2.gz JHRMGKGKTKCJIT-OAQYLSRUSA-N 1 1 398.463 3.845 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@H](C2CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001460691684 1069090243 /nfs/dbraw/zinc/09/02/43/1069090243.db2.gz NNNUULHSKMGFMH-HNNXBMFYSA-N 1 1 395.887 3.715 20 5 GHBDMO O=C(C[N@H+]1CCCC[C@H](C2CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001460691684 1069090246 /nfs/dbraw/zinc/09/02/46/1069090246.db2.gz NNNUULHSKMGFMH-HNNXBMFYSA-N 1 1 395.887 3.715 20 5 GHBDMO Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001471081535 1072914829 /nfs/dbraw/zinc/91/48/29/1072914829.db2.gz SZGPLRPBUTVEGG-FQEVSTJZSA-N 1 1 396.491 3.757 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC001471687321 1073180047 /nfs/dbraw/zinc/18/00/47/1073180047.db2.gz RHBVSNRUQGKTKC-SJORKVTESA-N 1 1 377.510 3.796 20 5 GHBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)cc1OC(F)F ZINC001472844091 1073690271 /nfs/dbraw/zinc/69/02/71/1073690271.db2.gz DJQLTRLYAXZJQP-HOTGVXAUSA-N 1 1 375.375 3.659 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCO[C@H](CNc3ncc([N+](=O)[O-])c4ccccc43)C2)cc1 ZINC001472855714 1073695424 /nfs/dbraw/zinc/69/54/24/1073695424.db2.gz MRADLWHXVWEHEL-GOSISDBHSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1ccc(C[N@H+]2CCO[C@H](CNc3ncc([N+](=O)[O-])c4ccccc43)C2)cc1 ZINC001472855714 1073695428 /nfs/dbraw/zinc/69/54/28/1073695428.db2.gz MRADLWHXVWEHEL-GOSISDBHSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001472856864 1073696296 /nfs/dbraw/zinc/69/62/96/1073696296.db2.gz OCXSQQLIDZREOT-KRWDZBQOSA-N 1 1 375.856 3.870 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001472856864 1073696301 /nfs/dbraw/zinc/69/63/01/1073696301.db2.gz OCXSQQLIDZREOT-KRWDZBQOSA-N 1 1 375.856 3.870 20 5 GHBDMO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001472859332 1073698048 /nfs/dbraw/zinc/69/80/48/1073698048.db2.gz FWEMLBTXYPXULH-IBHIWXBSSA-N 1 1 395.459 3.776 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC001473139697 1073802350 /nfs/dbraw/zinc/80/23/50/1073802350.db2.gz ASTBOQRWCKZANJ-QGZVFWFLSA-N 1 1 394.475 3.970 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473463125 1073977415 /nfs/dbraw/zinc/97/74/15/1073977415.db2.gz QSYGVOLHLHKVJG-MRXNPFEDSA-N 1 1 399.274 3.816 20 5 GHBDMO C[C@](O)(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)C(F)(F)F ZINC001473486666 1073985840 /nfs/dbraw/zinc/98/58/40/1073985840.db2.gz MKUHUPBQPSOAKS-OCCSQVGLSA-N 1 1 382.329 3.723 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)c1 ZINC001473760535 1074127975 /nfs/dbraw/zinc/12/79/75/1074127975.db2.gz DBCITQXWVCSHKP-AVRDEDQJSA-N 1 1 392.459 3.898 20 5 GHBDMO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001473856089 1074177702 /nfs/dbraw/zinc/17/77/02/1074177702.db2.gz YKRDBXSISFYBMH-HNNXBMFYSA-N 1 1 387.411 3.593 20 5 GHBDMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001473856089 1074177705 /nfs/dbraw/zinc/17/77/05/1074177705.db2.gz YKRDBXSISFYBMH-HNNXBMFYSA-N 1 1 387.411 3.593 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001473864679 1074180718 /nfs/dbraw/zinc/18/07/18/1074180718.db2.gz BSBWNPSXSRFWLZ-AUUYWEPGSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CC[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001473864679 1074180721 /nfs/dbraw/zinc/18/07/21/1074180721.db2.gz BSBWNPSXSRFWLZ-AUUYWEPGSA-N 1 1 379.432 3.613 20 5 GHBDMO CCOc1c(Cl)cc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cc1OC ZINC001473941675 1074212953 /nfs/dbraw/zinc/21/29/53/1074212953.db2.gz MSKACOYMHZBBBN-UHFFFAOYSA-N 1 1 396.827 3.660 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001476151409 1075096284 /nfs/dbraw/zinc/09/62/84/1075096284.db2.gz XZQYWIHNSLKIJP-VLIAUNLRSA-N 1 1 396.447 3.991 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000180727943 837500781 /nfs/dbraw/zinc/50/07/81/837500781.db2.gz NTCHWFUKDPQBSN-OALUTQOASA-N 1 1 384.480 3.775 20 5 GHBDMO CCc1nn(C)c(Cl)c1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278764517 834547910 /nfs/dbraw/zinc/54/79/10/834547910.db2.gz OCRLDRPWVPVRMI-UHFFFAOYSA-N 1 1 376.766 3.853 20 5 GHBDMO CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1ccc([N+](=O)[O-])nc1 ZINC000584434006 834597541 /nfs/dbraw/zinc/59/75/41/834597541.db2.gz ZOAGXXSXHSLMBP-UHFFFAOYSA-N 1 1 390.443 3.898 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153907736 834714185 /nfs/dbraw/zinc/71/41/85/834714185.db2.gz NYUZUDDFHXOVEV-FQEVSTJZSA-N 1 1 381.476 3.508 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000179199693 835020262 /nfs/dbraw/zinc/02/02/62/835020262.db2.gz DREJUDNXIDMMAL-MRXNPFEDSA-N 1 1 382.247 3.900 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000179199693 835020273 /nfs/dbraw/zinc/02/02/73/835020273.db2.gz DREJUDNXIDMMAL-MRXNPFEDSA-N 1 1 382.247 3.900 20 5 GHBDMO C[C@H](CCSc1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000431596294 835084383 /nfs/dbraw/zinc/08/43/83/835084383.db2.gz NTIZAWDXQXYDOC-QGZVFWFLSA-N 1 1 399.516 3.924 20 5 GHBDMO CC[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000583843866 835134228 /nfs/dbraw/zinc/13/42/28/835134228.db2.gz IHEWIXAYFJJZFA-NRFANRHFSA-N 1 1 381.476 3.996 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000471164783 835323728 /nfs/dbraw/zinc/32/37/28/835323728.db2.gz JMRLFBSVQLBBFK-FQEVSTJZSA-N 1 1 396.491 3.833 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000612131574 835581424 /nfs/dbraw/zinc/58/14/24/835581424.db2.gz FDQMDMLQPVBYTD-OZOXKJRCSA-N 1 1 397.450 3.764 20 5 GHBDMO COc1cc(C[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000179401571 835667776 /nfs/dbraw/zinc/66/77/76/835667776.db2.gz ALOXZXAULZNZAJ-MRXNPFEDSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cc(C[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000179401571 835667784 /nfs/dbraw/zinc/66/77/84/835667784.db2.gz ALOXZXAULZNZAJ-MRXNPFEDSA-N 1 1 386.448 3.793 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[C@@H]1c1ccccc1 ZINC000179467248 835734092 /nfs/dbraw/zinc/73/40/92/835734092.db2.gz DJSHWPYPWKWRFF-FPOVZHCZSA-N 1 1 394.475 3.714 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[C@@H]1c1ccccc1 ZINC000179488196 835740511 /nfs/dbraw/zinc/74/05/11/835740511.db2.gz NGLKEKRGPDMGHJ-RTWAWAEBSA-N 1 1 394.475 3.714 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000278718593 835865083 /nfs/dbraw/zinc/86/50/83/835865083.db2.gz UYGPKNLWJOGADQ-UHFFFAOYSA-N 1 1 394.431 3.997 20 5 GHBDMO COCC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)Cc1ccccn1 ZINC000584378016 835944141 /nfs/dbraw/zinc/94/41/41/835944141.db2.gz QBVCMEBHTZZGPX-UHFFFAOYSA-N 1 1 397.431 3.907 20 5 GHBDMO COCC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)Cc1ccccn1 ZINC000584378016 835944146 /nfs/dbraw/zinc/94/41/46/835944146.db2.gz QBVCMEBHTZZGPX-UHFFFAOYSA-N 1 1 397.431 3.907 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000609613920 835982814 /nfs/dbraw/zinc/98/28/14/835982814.db2.gz YGRVIQRVKKSDDS-SJORKVTESA-N 1 1 399.495 3.731 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000411134061 836064966 /nfs/dbraw/zinc/06/49/66/836064966.db2.gz NFNUUHHGYRUGJP-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000274369666 836244760 /nfs/dbraw/zinc/24/47/60/836244760.db2.gz KPGBDILYTFIQGB-GFCCVEGCSA-N 1 1 382.869 3.893 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430306706 836411124 /nfs/dbraw/zinc/41/11/24/836411124.db2.gz YWLRZSWVKMMOJC-QGZVFWFLSA-N 1 1 397.475 3.867 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247026716 836584927 /nfs/dbraw/zinc/58/49/27/836584927.db2.gz NGUSIWMTPVDMAS-PZJWPPBQSA-N 1 1 379.460 3.722 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473499861 844243761 /nfs/dbraw/zinc/24/37/61/844243761.db2.gz VRBDHVLKXMXXBP-QFIPXVFZSA-N 1 1 397.450 3.862 20 5 GHBDMO Cc1c(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000177287491 837861834 /nfs/dbraw/zinc/86/18/34/837861834.db2.gz MKAJXITXNZKRIS-UHFFFAOYSA-N 1 1 381.476 3.570 20 5 GHBDMO Cc1c(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000177287491 837861846 /nfs/dbraw/zinc/86/18/46/837861846.db2.gz MKAJXITXNZKRIS-UHFFFAOYSA-N 1 1 381.476 3.570 20 5 GHBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(C(C)(C)C)cc1 ZINC000024820231 844276615 /nfs/dbraw/zinc/27/66/15/844276615.db2.gz WMFZSROCABXHRH-UHFFFAOYSA-N 1 1 399.447 3.692 20 5 GHBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(C(C)(C)C)cc1 ZINC000024820231 844276628 /nfs/dbraw/zinc/27/66/28/844276628.db2.gz WMFZSROCABXHRH-UHFFFAOYSA-N 1 1 399.447 3.692 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473501862 844287451 /nfs/dbraw/zinc/28/74/51/844287451.db2.gz ICQBHFSSRAEGDC-JOCHJYFZSA-N 1 1 379.460 3.723 20 5 GHBDMO CCOc1ccc(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000471456843 838221449 /nfs/dbraw/zinc/22/14/49/838221449.db2.gz DQYJDXZJZFFWGX-INIZCTEOSA-N 1 1 385.464 3.634 20 5 GHBDMO CCS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000480891978 838276519 /nfs/dbraw/zinc/27/65/19/838276519.db2.gz KEUOIRYHBOAXGV-HIFRSBDPSA-N 1 1 381.498 3.538 20 5 GHBDMO CCS[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000480891978 838276532 /nfs/dbraw/zinc/27/65/32/838276532.db2.gz KEUOIRYHBOAXGV-HIFRSBDPSA-N 1 1 381.498 3.538 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1Cc1ccccc1 ZINC000535698991 844322687 /nfs/dbraw/zinc/32/26/87/844322687.db2.gz KNMUYUWDTBWNSJ-RDJZCZTQSA-N 1 1 392.459 3.859 20 5 GHBDMO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000275707645 838453442 /nfs/dbraw/zinc/45/34/42/838453442.db2.gz NOHRRXKBFHWAQC-CQSZACIVSA-N 1 1 393.900 3.591 20 5 GHBDMO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000275707645 838453446 /nfs/dbraw/zinc/45/34/46/838453446.db2.gz NOHRRXKBFHWAQC-CQSZACIVSA-N 1 1 393.900 3.591 20 5 GHBDMO COc1cccc(C2(C[NH2+][C@@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000290695572 838656752 /nfs/dbraw/zinc/65/67/52/838656752.db2.gz MYFJBTJVDKMUQD-HXUWFJFHSA-N 1 1 392.459 3.748 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175894275 838873024 /nfs/dbraw/zinc/87/30/24/838873024.db2.gz FIOOICLDZOIZSZ-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000549159895 839096516 /nfs/dbraw/zinc/09/65/16/839096516.db2.gz ZDOVTQUSPNLHJG-RCLSDMTESA-N 1 1 382.460 3.745 20 5 GHBDMO C[C@H](CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000511569659 839467370 /nfs/dbraw/zinc/46/73/70/839467370.db2.gz BDXMYXVOFLDWHH-GOSISDBHSA-N 1 1 398.507 3.689 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c2c(c1)COCO2 ZINC000175819347 839633497 /nfs/dbraw/zinc/63/34/97/839633497.db2.gz MJIWYLCRDFPJMG-WBVHZDCISA-N 1 1 390.461 3.611 20 5 GHBDMO C[C@@]1(C[NH3+])CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000261916978 839874625 /nfs/dbraw/zinc/87/46/25/839874625.db2.gz YGAQCUCIBYVXPF-QFIPXVFZSA-N 1 1 391.475 3.618 20 5 GHBDMO Cc1cn(C[N@H+](Cc2ccccc2)C(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728705727 839952567 /nfs/dbraw/zinc/95/25/67/839952567.db2.gz UEUDSMMHDTXMFL-UHFFFAOYSA-N 1 1 380.448 3.724 20 5 GHBDMO Cc1cn(C[N@@H+](Cc2ccccc2)C(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728705727 839952574 /nfs/dbraw/zinc/95/25/74/839952574.db2.gz UEUDSMMHDTXMFL-UHFFFAOYSA-N 1 1 380.448 3.724 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503918 844508642 /nfs/dbraw/zinc/50/86/42/844508642.db2.gz FVBRTVJBNWZRLZ-FQEVSTJZSA-N 1 1 385.489 3.785 20 5 GHBDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000047127640 840216251 /nfs/dbraw/zinc/21/62/51/840216251.db2.gz WSEDUFSGMIVRTM-HOTGVXAUSA-N 1 1 398.463 3.526 20 5 GHBDMO Cc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000015102799 840225200 /nfs/dbraw/zinc/22/52/00/840225200.db2.gz RNTABDFFLNCOEF-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000015102799 840225212 /nfs/dbraw/zinc/22/52/12/840225212.db2.gz RNTABDFFLNCOEF-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000416921907 840273078 /nfs/dbraw/zinc/27/30/78/840273078.db2.gz OTQKTCPORGLJMS-INIZCTEOSA-N 1 1 382.464 3.950 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000416921907 840273083 /nfs/dbraw/zinc/27/30/83/840273083.db2.gz OTQKTCPORGLJMS-INIZCTEOSA-N 1 1 382.464 3.950 20 5 GHBDMO CC1(C)C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccc(F)cc2O1 ZINC000610804202 844548259 /nfs/dbraw/zinc/54/82/59/844548259.db2.gz RYJPFVPSVDLQRY-HNNXBMFYSA-N 1 1 388.395 3.897 20 5 GHBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000511754550 840641274 /nfs/dbraw/zinc/64/12/74/840641274.db2.gz HVVVLUGCNABQHE-FQEVSTJZSA-N 1 1 381.476 3.934 20 5 GHBDMO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417332140 840734622 /nfs/dbraw/zinc/73/46/22/840734622.db2.gz NMSQRFJYGLNSOJ-LJQANCHMSA-N 1 1 392.452 3.695 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000511841048 840914573 /nfs/dbraw/zinc/91/45/73/840914573.db2.gz FKLBGTZBHMHDOE-QWFCFKBJSA-N 1 1 395.459 3.810 20 5 GHBDMO Cc1csc(C[C@@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000933124487 840956402 /nfs/dbraw/zinc/95/64/02/840956402.db2.gz ZJFJAKTUUUYQFP-HNNXBMFYSA-N 1 1 388.493 3.561 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121338769 841325842 /nfs/dbraw/zinc/32/58/42/841325842.db2.gz NCXFWABRYKKUGC-MRXNPFEDSA-N 1 1 399.422 3.597 20 5 GHBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000500070391 841376943 /nfs/dbraw/zinc/37/69/43/841376943.db2.gz AOTLVJMGQUMISR-LJQANCHMSA-N 1 1 382.464 3.827 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000014926747 841406985 /nfs/dbraw/zinc/40/69/85/841406985.db2.gz HOWSFZKEUIOMNW-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000014926747 841406996 /nfs/dbraw/zinc/40/69/96/841406996.db2.gz HOWSFZKEUIOMNW-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO CC(=O)c1ccc(NC(=O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135236369 841426437 /nfs/dbraw/zinc/42/64/37/841426437.db2.gz NEYSXUWRXHIVNQ-UHFFFAOYSA-N 1 1 381.432 3.791 20 5 GHBDMO CC(=O)c1ccc(NC(=O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135236369 841426442 /nfs/dbraw/zinc/42/64/42/841426442.db2.gz NEYSXUWRXHIVNQ-UHFFFAOYSA-N 1 1 381.432 3.791 20 5 GHBDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)c1 ZINC000023851931 841487335 /nfs/dbraw/zinc/48/73/35/841487335.db2.gz RBTMLDAYFRUGKP-LJQANCHMSA-N 1 1 382.420 3.756 20 5 GHBDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)c1 ZINC000023851931 841487339 /nfs/dbraw/zinc/48/73/39/841487339.db2.gz RBTMLDAYFRUGKP-LJQANCHMSA-N 1 1 382.420 3.756 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccn1 ZINC000181786585 841816896 /nfs/dbraw/zinc/81/68/96/841816896.db2.gz RKMOCZRHAKQTIR-OLZOCXBDSA-N 1 1 397.460 3.791 20 5 GHBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302237526 861246666 /nfs/dbraw/zinc/24/66/66/861246666.db2.gz GOPZVRWTFIWIJL-LLVKDONJSA-N 1 1 394.825 3.705 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000603840649 861247028 /nfs/dbraw/zinc/24/70/28/861247028.db2.gz PGKDOSOPXLWCMQ-MJGOQNOKSA-N 1 1 376.840 3.825 20 5 GHBDMO COc1cc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000599513008 861270165 /nfs/dbraw/zinc/27/01/65/861270165.db2.gz PIRZQRJERVGEDZ-NXEZZACHSA-N 1 1 380.338 3.928 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000157456540 842106981 /nfs/dbraw/zinc/10/69/81/842106981.db2.gz QFWQIWFCICENJG-INIZCTEOSA-N 1 1 385.439 3.779 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000603851541 861272220 /nfs/dbraw/zinc/27/22/20/861272220.db2.gz AYFLBXDOODQHEC-UHFFFAOYSA-N 1 1 378.375 3.925 20 5 GHBDMO Cc1cc(NCCc2cn3c([nH+]2)CCCC3)c(Br)cc1[N+](=O)[O-] ZINC000302675419 861322798 /nfs/dbraw/zinc/32/27/98/861322798.db2.gz MNEWRNWUOMCYKP-UHFFFAOYSA-N 1 1 379.258 3.853 20 5 GHBDMO Cc1cc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000548334553 842667604 /nfs/dbraw/zinc/66/76/04/842667604.db2.gz UTAYZQMOUTUMBP-HNNXBMFYSA-N 1 1 377.448 3.978 20 5 GHBDMO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000603901517 861356901 /nfs/dbraw/zinc/35/69/01/861356901.db2.gz ZIYAKFAUGHQSLG-JOCHJYFZSA-N 1 1 391.427 3.921 20 5 GHBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000610581532 843072070 /nfs/dbraw/zinc/07/20/70/843072070.db2.gz QBQLRNGFMUIDHK-AWEZNQCLSA-N 1 1 383.404 3.547 20 5 GHBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580876 843075552 /nfs/dbraw/zinc/07/55/52/843075552.db2.gz SBFDVIHTIQKGJM-ZDUSSCGKSA-N 1 1 378.392 3.510 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000603919354 861401906 /nfs/dbraw/zinc/40/19/06/861401906.db2.gz DFLLHNIUXWTNHL-RTBURBONSA-N 1 1 394.475 3.564 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccnc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000432313137 843416299 /nfs/dbraw/zinc/41/62/99/843416299.db2.gz JURYUAZUUPXGFI-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccnc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000432313137 843416303 /nfs/dbraw/zinc/41/63/03/843416303.db2.gz JURYUAZUUPXGFI-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431016865 843421927 /nfs/dbraw/zinc/42/19/27/843421927.db2.gz YLJHQZCJCOKZCS-AWEZNQCLSA-N 1 1 398.301 3.742 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610676666 843510602 /nfs/dbraw/zinc/51/06/02/843510602.db2.gz TWRRFHDXGKZBGZ-QGZVFWFLSA-N 1 1 393.447 3.875 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610676666 843510613 /nfs/dbraw/zinc/51/06/13/843510613.db2.gz TWRRFHDXGKZBGZ-QGZVFWFLSA-N 1 1 393.447 3.875 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3cocn3)CC2)s1 ZINC000432747014 843662073 /nfs/dbraw/zinc/66/20/73/843662073.db2.gz LHFDDTPQPTZDAQ-UHFFFAOYSA-N 1 1 384.461 3.629 20 5 GHBDMO CC[NH+](CC)Cc1cccc(CN[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000056184973 861447966 /nfs/dbraw/zinc/44/79/66/861447966.db2.gz RIVIKIRLVWVHND-INIZCTEOSA-N 1 1 384.480 3.553 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431163915 843747693 /nfs/dbraw/zinc/74/76/93/843747693.db2.gz ZZGOWJJQFHWRMA-CYBMUJFWSA-N 1 1 398.301 3.599 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1F ZINC000599678145 861475846 /nfs/dbraw/zinc/47/58/46/861475846.db2.gz JAYDDSXCMSGXEV-HNNXBMFYSA-N 1 1 387.411 3.561 20 5 GHBDMO Cc1cc(F)cc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000176227598 844889939 /nfs/dbraw/zinc/88/99/39/844889939.db2.gz ZUOODFIBRCLABI-CQSZACIVSA-N 1 1 387.411 3.688 20 5 GHBDMO C[C@@H]([NH2+][C@H](C)c1ccc2n[nH]cc2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000513174300 845010577 /nfs/dbraw/zinc/01/05/77/845010577.db2.gz RISJVAPXNHUAPT-VXGBXAGGSA-N 1 1 378.392 3.933 20 5 GHBDMO COC[C@@H](C)[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599683285 861522097 /nfs/dbraw/zinc/52/20/97/861522097.db2.gz QLDXEELFASYQQH-VQIMIIECSA-N 1 1 397.475 3.866 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000110019685 845329148 /nfs/dbraw/zinc/32/91/48/845329148.db2.gz MIBPIJIDJYIJEG-UHFFFAOYSA-N 1 1 387.505 3.844 20 5 GHBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000509787754 845419467 /nfs/dbraw/zinc/41/94/67/845419467.db2.gz OGOFAKXUTBDVIG-CYBMUJFWSA-N 1 1 376.384 3.767 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000513513893 845586153 /nfs/dbraw/zinc/58/61/53/845586153.db2.gz HQOFCINHUKLPIW-OAQYLSRUSA-N 1 1 380.448 3.725 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)C[C@H](C)O1 ZINC000450371680 845615580 /nfs/dbraw/zinc/61/55/80/845615580.db2.gz JLUWZAFCWUFNEO-CALCHBBNSA-N 1 1 398.507 3.859 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000071954892 845975724 /nfs/dbraw/zinc/97/57/24/845975724.db2.gz REAVBMUPZWUHCE-OAHLLOKOSA-N 1 1 382.464 3.680 20 5 GHBDMO CC1(C)C[C@H]([NH2+]Cc2cc(S(C)(=O)=O)ccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000502602960 846244400 /nfs/dbraw/zinc/24/44/00/846244400.db2.gz UPOGICULYQDQPZ-SFHVURJKSA-N 1 1 392.452 3.650 20 5 GHBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000513702148 846506572 /nfs/dbraw/zinc/50/65/72/846506572.db2.gz FFLVSFUFBAWTRM-LAUBAEHRSA-N 1 1 394.475 3.860 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000421739956 846510357 /nfs/dbraw/zinc/51/03/57/846510357.db2.gz GDYBHPZWLDUWGM-UHFFFAOYSA-N 1 1 385.439 3.699 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000421739956 846510366 /nfs/dbraw/zinc/51/03/66/846510366.db2.gz GDYBHPZWLDUWGM-UHFFFAOYSA-N 1 1 385.439 3.699 20 5 GHBDMO Cc1ccc(CN(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000511088180 846585086 /nfs/dbraw/zinc/58/50/86/846585086.db2.gz DYQYNHJGLRLJSE-UHFFFAOYSA-N 1 1 381.476 3.569 20 5 GHBDMO Cc1ccc(CN(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000511088180 846585093 /nfs/dbraw/zinc/58/50/93/846585093.db2.gz DYQYNHJGLRLJSE-UHFFFAOYSA-N 1 1 381.476 3.569 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000501093452 846634435 /nfs/dbraw/zinc/63/44/35/846634435.db2.gz JLSUWWMOZRSQKT-NHYWBVRUSA-N 1 1 399.289 3.551 20 5 GHBDMO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000016587612 846670565 /nfs/dbraw/zinc/67/05/65/846670565.db2.gz CDDNKKOWQXWDRM-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000016587612 846670569 /nfs/dbraw/zinc/67/05/69/846670569.db2.gz CDDNKKOWQXWDRM-UHFFFAOYSA-N 1 1 392.253 3.736 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)o2)cc1 ZINC000513763430 846822476 /nfs/dbraw/zinc/82/24/76/846822476.db2.gz XTHJAAYNHXOMCF-LJQANCHMSA-N 1 1 385.464 3.542 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501548158 846994809 /nfs/dbraw/zinc/99/48/09/846994809.db2.gz DMSUWZWXOBIZIL-OAHLLOKOSA-N 1 1 393.237 3.979 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506939 861752933 /nfs/dbraw/zinc/75/29/33/861752933.db2.gz BCHUITVUXKDQNY-RBUKOAKNSA-N 1 1 375.513 3.950 20 5 GHBDMO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000050050167 847341856 /nfs/dbraw/zinc/34/18/56/847341856.db2.gz JVYMHSYRUWGWPK-OAHLLOKOSA-N 1 1 388.493 3.998 20 5 GHBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc([N+](=O)[O-])cc1Br ZINC000501975875 847373225 /nfs/dbraw/zinc/37/32/25/847373225.db2.gz CNQBJVFMMLLCKH-UHFFFAOYSA-N 1 1 393.241 3.641 20 5 GHBDMO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000731667620 861799232 /nfs/dbraw/zinc/79/92/32/861799232.db2.gz TZVQGXVECHYDNV-FQEVSTJZSA-N 1 1 384.432 3.572 20 5 GHBDMO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000731667620 861799235 /nfs/dbraw/zinc/79/92/35/861799235.db2.gz TZVQGXVECHYDNV-FQEVSTJZSA-N 1 1 384.432 3.572 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000479169612 847540501 /nfs/dbraw/zinc/54/05/01/847540501.db2.gz NFAUXLBTPPMHJY-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420944707 847566131 /nfs/dbraw/zinc/56/61/31/847566131.db2.gz JUJVWNYHCVPIBS-GFCCVEGCSA-N 1 1 387.358 3.557 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)cc1OC ZINC000611667186 847852435 /nfs/dbraw/zinc/85/24/35/847852435.db2.gz DGRUJKHXZDJMCG-YWZLYKJASA-N 1 1 378.469 3.641 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H](C)Cc1ccsc1 ZINC000187775473 848070465 /nfs/dbraw/zinc/07/04/65/848070465.db2.gz IWULNMDFXBKBJI-CQSZACIVSA-N 1 1 391.493 3.947 20 5 GHBDMO O=C(CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1)NC1CCCC1 ZINC000611773917 848235687 /nfs/dbraw/zinc/23/56/87/848235687.db2.gz POECAIODMYFMJE-UHFFFAOYSA-N 1 1 379.888 3.909 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000444747111 861884658 /nfs/dbraw/zinc/88/46/58/861884658.db2.gz XTWZEATVZWPZKK-UHFFFAOYSA-N 1 1 375.400 3.512 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cnccc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000611938214 848332849 /nfs/dbraw/zinc/33/28/49/848332849.db2.gz BRJQZDNZQXEXGM-LBPRGKRZSA-N 1 1 381.379 3.802 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612132944 848496592 /nfs/dbraw/zinc/49/65/92/848496592.db2.gz NNFYMEMMXKGDHZ-STZQEDGTSA-N 1 1 393.487 3.934 20 5 GHBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132159536 861928954 /nfs/dbraw/zinc/92/89/54/861928954.db2.gz WDCGNMWCTWORBN-XLIONFOSSA-N 1 1 397.450 3.861 20 5 GHBDMO Cc1ccc(N2CCC(c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)CC2)[nH+]c1 ZINC000612957993 848817755 /nfs/dbraw/zinc/81/77/55/848817755.db2.gz FPISTUPNUBKERN-UHFFFAOYSA-N 1 1 393.447 3.964 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080075558 849586114 /nfs/dbraw/zinc/58/61/14/849586114.db2.gz XLPSRJNBYAVZJQ-MRXNPFEDSA-N 1 1 376.501 3.784 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CC[C@H]21 ZINC000278223904 849729523 /nfs/dbraw/zinc/72/95/23/849729523.db2.gz SLKYKXBXWAEESD-FOIQADDNSA-N 1 1 375.472 3.650 20 5 GHBDMO COc1cc(CN2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435372873 850422068 /nfs/dbraw/zinc/42/20/68/850422068.db2.gz SUYLBEMGIJOUBX-MRXNPFEDSA-N 1 1 399.491 3.742 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000506702651 850505990 /nfs/dbraw/zinc/50/59/90/850505990.db2.gz QALDNSBRMORDBU-INIZCTEOSA-N 1 1 391.537 3.901 20 5 GHBDMO COCC[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426513295 850507106 /nfs/dbraw/zinc/50/71/06/850507106.db2.gz HJQUQBVODCXBJH-KRWDZBQOSA-N 1 1 390.411 3.764 20 5 GHBDMO COCC[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426513295 850507111 /nfs/dbraw/zinc/50/71/11/850507111.db2.gz HJQUQBVODCXBJH-KRWDZBQOSA-N 1 1 390.411 3.764 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000043801568 850582459 /nfs/dbraw/zinc/58/24/59/850582459.db2.gz QXJAOWPVSYJLNM-SFHVURJKSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000043801568 850582472 /nfs/dbraw/zinc/58/24/72/850582472.db2.gz QXJAOWPVSYJLNM-SFHVURJKSA-N 1 1 380.404 3.991 20 5 GHBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000487228770 850583498 /nfs/dbraw/zinc/58/34/98/850583498.db2.gz DMWUPNBNONHSSH-OAHLLOKOSA-N 1 1 385.489 3.818 20 5 GHBDMO CC[NH+]1CCN(c2ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2F)CC1 ZINC000505088654 850596145 /nfs/dbraw/zinc/59/61/45/850596145.db2.gz BJCSETLPFPQBNX-UHFFFAOYSA-N 1 1 397.410 3.593 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487246305 850597283 /nfs/dbraw/zinc/59/72/83/850597283.db2.gz HQBXHYYGZVLRHU-OAHLLOKOSA-N 1 1 383.473 3.713 20 5 GHBDMO CCNc1ccc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487318983 850673655 /nfs/dbraw/zinc/67/36/55/850673655.db2.gz ZWQAAOVQSFJFDJ-LPHOPBHVSA-N 1 1 396.491 3.667 20 5 GHBDMO CSc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000185979037 862159270 /nfs/dbraw/zinc/15/92/70/862159270.db2.gz NLFLEQMQUFEHQG-HNNXBMFYSA-N 1 1 389.477 3.867 20 5 GHBDMO O=C(CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000488207705 851270117 /nfs/dbraw/zinc/27/01/17/851270117.db2.gz ZDBFKLKWVAYOIX-UHFFFAOYSA-N 1 1 382.416 3.603 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000425091595 851277486 /nfs/dbraw/zinc/27/74/86/851277486.db2.gz YYCCVQDFZLWGSJ-UHFFFAOYSA-N 1 1 392.456 3.528 20 5 GHBDMO C[C@H](C1CC1)[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000434614539 851350660 /nfs/dbraw/zinc/35/06/60/851350660.db2.gz AFFKJKTWVCHPSR-GFCCVEGCSA-N 1 1 386.477 3.920 20 5 GHBDMO CSc1cccc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000436234884 851372113 /nfs/dbraw/zinc/37/21/13/851372113.db2.gz ZBMNQAZWEDVYPA-OAHLLOKOSA-N 1 1 377.510 3.844 20 5 GHBDMO C[N@H+](CCCOc1ccc(F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000030267477 862237267 /nfs/dbraw/zinc/23/72/67/862237267.db2.gz HJDJLIYRNFRYRW-UHFFFAOYSA-N 1 1 376.384 3.501 20 5 GHBDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000030267477 862237286 /nfs/dbraw/zinc/23/72/86/862237286.db2.gz HJDJLIYRNFRYRW-UHFFFAOYSA-N 1 1 376.384 3.501 20 5 GHBDMO C[N@@H+](CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000604519079 862240391 /nfs/dbraw/zinc/24/03/91/862240391.db2.gz ZPMFERQKBRJILO-UHFFFAOYSA-N 1 1 388.493 3.713 20 5 GHBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCN2C2CCCCC2)n1 ZINC000436287977 851422230 /nfs/dbraw/zinc/42/22/30/851422230.db2.gz DKEBMRHDZIOESR-CEXWTWQISA-N 1 1 375.517 3.662 20 5 GHBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000430090443 851520391 /nfs/dbraw/zinc/52/03/91/851520391.db2.gz NTRYYRIJGVLJES-HNNXBMFYSA-N 1 1 392.477 3.644 20 5 GHBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000430090443 851520398 /nfs/dbraw/zinc/52/03/98/851520398.db2.gz NTRYYRIJGVLJES-HNNXBMFYSA-N 1 1 392.477 3.644 20 5 GHBDMO COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000436376786 851531459 /nfs/dbraw/zinc/53/14/59/851531459.db2.gz CUZAOBOHLOYRTA-INIZCTEOSA-N 1 1 376.457 3.522 20 5 GHBDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H](C)CO ZINC000430101705 851576519 /nfs/dbraw/zinc/57/65/19/851576519.db2.gz JJAVFANZYAVTGQ-LLVKDONJSA-N 1 1 383.242 3.820 20 5 GHBDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)C1 ZINC000430118530 851600910 /nfs/dbraw/zinc/60/09/10/851600910.db2.gz CCBNSISYIQCKBH-ZRGWGRIASA-N 1 1 386.521 3.880 20 5 GHBDMO COc1cc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000184252130 851825598 /nfs/dbraw/zinc/82/55/98/851825598.db2.gz UAPSEBKUKMXGIQ-UHFFFAOYSA-N 1 1 377.391 3.958 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000481799881 862292485 /nfs/dbraw/zinc/29/24/85/862292485.db2.gz LGMOBOMJJVZLBZ-QGZVFWFLSA-N 1 1 397.475 3.664 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+](Cc2cccc(O)c2)CC2CC2)c([N+](=O)[O-])c1 ZINC000436465410 851932614 /nfs/dbraw/zinc/93/26/14/851932614.db2.gz JLCGGSRSNPMPDI-UHFFFAOYSA-N 1 1 399.447 3.550 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000489146090 852048083 /nfs/dbraw/zinc/04/80/83/852048083.db2.gz FPWFGNXDTKTGRT-MRXNPFEDSA-N 1 1 388.512 3.779 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(c4ccccc4O)CC3)o2)cc1 ZINC000505866877 852221068 /nfs/dbraw/zinc/22/10/68/852221068.db2.gz CCZFCJSHOJOPSW-UHFFFAOYSA-N 1 1 379.416 3.883 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000505941334 852639567 /nfs/dbraw/zinc/63/95/67/852639567.db2.gz NSADYCGVPPSWIY-LSDHHAIUSA-N 1 1 379.888 3.975 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507195657 852666674 /nfs/dbraw/zinc/66/66/74/852666674.db2.gz KELYCWGNDXLLJJ-HOTGVXAUSA-N 1 1 383.448 3.728 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000437849534 852845868 /nfs/dbraw/zinc/84/58/68/852845868.db2.gz GZXLGRMEROMVCU-MRXNPFEDSA-N 1 1 382.464 3.670 20 5 GHBDMO Cc1ccc([C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000437348031 853029342 /nfs/dbraw/zinc/02/93/42/853029342.db2.gz ORULHOMVBWBNNO-AHRCJOBQSA-N 1 1 388.489 3.680 20 5 GHBDMO C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000437500691 853203818 /nfs/dbraw/zinc/20/38/18/853203818.db2.gz XVKDYBFAMFZHOV-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000506479529 853260813 /nfs/dbraw/zinc/26/08/13/853260813.db2.gz YNLRHQGAXSZSDO-HNNXBMFYSA-N 1 1 383.448 3.605 20 5 GHBDMO Cc1cccc([C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCOCC2)c1 ZINC000029626560 853294185 /nfs/dbraw/zinc/29/41/85/853294185.db2.gz GOTOPDOQWMDIBU-NRFANRHFSA-N 1 1 392.459 3.937 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000518410676 853314677 /nfs/dbraw/zinc/31/46/77/853314677.db2.gz WMJTYTRQAUNHTI-QFBILLFUSA-N 1 1 382.464 3.572 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000517093678 853355363 /nfs/dbraw/zinc/35/53/63/853355363.db2.gz WHUXTNRBJZPVRI-UHFFFAOYSA-N 1 1 376.482 3.551 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000517093678 853355368 /nfs/dbraw/zinc/35/53/68/853355368.db2.gz WHUXTNRBJZPVRI-UHFFFAOYSA-N 1 1 376.482 3.551 20 5 GHBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729479974 853390875 /nfs/dbraw/zinc/39/08/75/853390875.db2.gz LKRHYHZQQDMZIW-GOSISDBHSA-N 1 1 377.485 3.859 20 5 GHBDMO Cc1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000437698192 853434680 /nfs/dbraw/zinc/43/46/80/853434680.db2.gz OESQNDCBRRCEMH-GOSISDBHSA-N 1 1 382.464 3.889 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC000439263075 853483264 /nfs/dbraw/zinc/48/32/64/853483264.db2.gz YKDCZGKNRJJTMT-JOCHJYFZSA-N 1 1 399.491 3.895 20 5 GHBDMO CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760652748 853581361 /nfs/dbraw/zinc/58/13/61/853581361.db2.gz GCOCGPBNUQTJOZ-QGZVFWFLSA-N 1 1 387.867 3.985 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1 ZINC000518685133 853634949 /nfs/dbraw/zinc/63/49/49/853634949.db2.gz CCNOAJPZOHMZCC-UHFFFAOYSA-N 1 1 390.465 3.688 20 5 GHBDMO CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760656944 853659486 /nfs/dbraw/zinc/65/94/86/853659486.db2.gz NZOCFKAYNORTIV-NZIDHHNMSA-N 1 1 379.460 3.731 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000571308701 853837574 /nfs/dbraw/zinc/83/75/74/853837574.db2.gz OWFXTOABIQCAFH-AWEZNQCLSA-N 1 1 387.311 3.508 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000520262432 854013505 /nfs/dbraw/zinc/01/35/05/854013505.db2.gz CBOIOSLRISGUEB-KRWDZBQOSA-N 1 1 398.459 3.925 20 5 GHBDMO C[C@H]1CN(CCCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000171051808 862567544 /nfs/dbraw/zinc/56/75/44/862567544.db2.gz CMVCXRSDJHFWEL-IRXDYDNUSA-N 1 1 387.480 3.834 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(OC3CCC(C)CC3)CC2)c1 ZINC000589498455 854909972 /nfs/dbraw/zinc/90/99/72/854909972.db2.gz VRUKQEBVJVJZJC-UHFFFAOYSA-N 1 1 390.480 3.941 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)c1 ZINC000589510601 854972349 /nfs/dbraw/zinc/97/23/49/854972349.db2.gz NKAPOURDHNONMM-JLTOFOAXSA-N 1 1 384.432 3.973 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000589744675 855137085 /nfs/dbraw/zinc/13/70/85/855137085.db2.gz BPFQMSKQVPWXIZ-JOCHJYFZSA-N 1 1 384.476 3.681 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000542684631 855425933 /nfs/dbraw/zinc/42/59/33/855425933.db2.gz XKXAJZDSFQOTKH-LLVKDONJSA-N 1 1 392.456 3.699 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000542684631 855425934 /nfs/dbraw/zinc/42/59/34/855425934.db2.gz XKXAJZDSFQOTKH-LLVKDONJSA-N 1 1 392.456 3.699 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159448001 862680711 /nfs/dbraw/zinc/68/07/11/862680711.db2.gz ULOLUAHFINJMAY-MNOVXSKESA-N 1 1 379.363 3.559 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000590537222 855488666 /nfs/dbraw/zinc/48/86/66/855488666.db2.gz DOSBEWOPQBEDNE-RTBURBONSA-N 1 1 399.422 3.645 20 5 GHBDMO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000057821392 855744278 /nfs/dbraw/zinc/74/42/78/855744278.db2.gz LLRFTFIDHOPYHT-HXUWFJFHSA-N 1 1 382.464 3.821 20 5 GHBDMO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000057821392 855744282 /nfs/dbraw/zinc/74/42/82/855744282.db2.gz LLRFTFIDHOPYHT-HXUWFJFHSA-N 1 1 382.464 3.821 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2CCc3[nH]c4ccccc4c3C2)cccc1[N+](=O)[O-] ZINC000171620029 856204647 /nfs/dbraw/zinc/20/46/47/856204647.db2.gz HRHUGTREJKANMF-UHFFFAOYSA-N 1 1 378.432 3.771 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCc3[nH]c4ccccc4c3C2)cccc1[N+](=O)[O-] ZINC000171620029 856204656 /nfs/dbraw/zinc/20/46/56/856204656.db2.gz HRHUGTREJKANMF-UHFFFAOYSA-N 1 1 378.432 3.771 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000592146870 856702904 /nfs/dbraw/zinc/70/29/04/856702904.db2.gz TYGSCZQXCKYBIM-UHFFFAOYSA-N 1 1 398.463 3.548 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 ZINC000592187239 856790647 /nfs/dbraw/zinc/79/06/47/856790647.db2.gz MSGFBHZWQFJCBX-FPOVZHCZSA-N 1 1 380.444 3.728 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000733300634 862845810 /nfs/dbraw/zinc/84/58/10/862845810.db2.gz UULBQULAOXMTAO-OAQYLSRUSA-N 1 1 377.448 3.865 20 5 GHBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3C)CC[N@H+]2C2CC2)c1 ZINC000245554275 856955507 /nfs/dbraw/zinc/95/55/07/856955507.db2.gz SBSFGDMUDAHNGA-SFTDATJTSA-N 1 1 395.459 3.620 20 5 GHBDMO C[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245641199 857034061 /nfs/dbraw/zinc/03/40/61/857034061.db2.gz ALKYBNXGSSURQE-RDTXWAMCSA-N 1 1 391.830 3.810 20 5 GHBDMO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000552868754 857086555 /nfs/dbraw/zinc/08/65/55/857086555.db2.gz GSAUCMGPGVUXDH-GOSISDBHSA-N 1 1 383.379 3.588 20 5 GHBDMO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245811149 857178242 /nfs/dbraw/zinc/17/82/42/857178242.db2.gz QYGVTSPRYDKXPG-OXQOHEQNSA-N 1 1 385.464 3.594 20 5 GHBDMO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245811149 857178248 /nfs/dbraw/zinc/17/82/48/857178248.db2.gz QYGVTSPRYDKXPG-OXQOHEQNSA-N 1 1 385.464 3.594 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000485877705 857178808 /nfs/dbraw/zinc/17/88/08/857178808.db2.gz AEFUYBQZEYESMM-AQNXPRMDSA-N 1 1 379.460 3.852 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1 ZINC000593029910 857185193 /nfs/dbraw/zinc/18/51/93/857185193.db2.gz ZMXUGGLKDKELKF-IXMYUCAJSA-N 1 1 390.480 3.533 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245868631 857185483 /nfs/dbraw/zinc/18/54/83/857185483.db2.gz LSVSBFGASWVMSF-NVXWUHKLSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245868631 857185486 /nfs/dbraw/zinc/18/54/86/857185486.db2.gz LSVSBFGASWVMSF-NVXWUHKLSA-N 1 1 377.803 3.563 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)c2nc(C)c(C)s2)c([N+](=O)[O-])c1 ZINC000173957535 857186287 /nfs/dbraw/zinc/18/62/87/857186287.db2.gz RVNOBCFXHZKBTA-UHFFFAOYSA-N 1 1 392.481 3.530 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)CSc1ccccc1 ZINC000593046058 857198532 /nfs/dbraw/zinc/19/85/32/857198532.db2.gz LZYITKPNTJVAMX-CQSZACIVSA-N 1 1 389.477 3.655 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)CSc1ccccc1 ZINC000593046058 857198535 /nfs/dbraw/zinc/19/85/35/857198535.db2.gz LZYITKPNTJVAMX-CQSZACIVSA-N 1 1 389.477 3.655 20 5 GHBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC000520808842 857237290 /nfs/dbraw/zinc/23/72/90/857237290.db2.gz VIUDEONSKBFEPH-HNNXBMFYSA-N 1 1 379.526 3.805 20 5 GHBDMO C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1Cc1ccccc1 ZINC000174434434 857302136 /nfs/dbraw/zinc/30/21/36/857302136.db2.gz SCMRWWKBHSJIFJ-KRWDZBQOSA-N 1 1 397.475 3.558 20 5 GHBDMO COc1cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(F)cc1[N+](=O)[O-] ZINC000485990716 857321247 /nfs/dbraw/zinc/32/12/47/857321247.db2.gz BARVOFIYLCAEGB-KSSFIOAISA-N 1 1 381.354 3.878 20 5 GHBDMO COc1cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(F)cc1[N+](=O)[O-] ZINC000485990716 857321252 /nfs/dbraw/zinc/32/12/52/857321252.db2.gz BARVOFIYLCAEGB-KSSFIOAISA-N 1 1 381.354 3.878 20 5 GHBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000174488479 857323133 /nfs/dbraw/zinc/32/31/33/857323133.db2.gz PMGRJJWFESIYSC-INIZCTEOSA-N 1 1 382.464 3.752 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000593075713 857336938 /nfs/dbraw/zinc/33/69/38/857336938.db2.gz RFYQESRRHGJWHM-KUHUBIRLSA-N 1 1 391.468 3.537 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000175050175 857426421 /nfs/dbraw/zinc/42/64/21/857426421.db2.gz REQYFSZGORALQV-UHFFFAOYSA-N 1 1 397.475 3.522 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000592524589 857670484 /nfs/dbraw/zinc/67/04/84/857670484.db2.gz YRDPGVJAEYBUOQ-KEWOFRHOSA-N 1 1 379.460 3.636 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1CCOC1 ZINC000132112766 857702318 /nfs/dbraw/zinc/70/23/18/857702318.db2.gz HNMZTWPIAPKIQZ-GFCCVEGCSA-N 1 1 381.226 3.838 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001129152947 857704291 /nfs/dbraw/zinc/70/42/91/857704291.db2.gz VAESOBOWPQFLII-OXQOHEQNSA-N 1 1 377.460 3.513 20 5 GHBDMO Cc1c(CC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438932470 857757045 /nfs/dbraw/zinc/75/70/45/857757045.db2.gz NHCAFQJRAJIUIK-HXUWFJFHSA-N 1 1 381.476 3.569 20 5 GHBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312668965 857908047 /nfs/dbraw/zinc/90/80/47/857908047.db2.gz IREVGRJZKAKKLA-GDBMZVCRSA-N 1 1 387.867 3.889 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)[C@H]3CCCc4ccccc43)n2)cc1 ZINC000114192677 857935364 /nfs/dbraw/zinc/93/53/64/857935364.db2.gz ZVVDEPDFIQYIAF-IBGZPJMESA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCO)[C@H]3CCCc4ccccc43)n2)cc1 ZINC000114192677 857935369 /nfs/dbraw/zinc/93/53/69/857935369.db2.gz ZVVDEPDFIQYIAF-IBGZPJMESA-N 1 1 394.431 3.517 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000114197136 857935731 /nfs/dbraw/zinc/93/57/31/857935731.db2.gz YSPDSNBSWYVRFF-UHFFFAOYSA-N 1 1 396.919 3.631 20 5 GHBDMO Cc1sc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000066676075 858240737 /nfs/dbraw/zinc/24/07/37/858240737.db2.gz DRFPAZBVLJJLOH-UHFFFAOYSA-N 1 1 387.505 3.949 20 5 GHBDMO COc1cc(C[N@H+](C[C@H](C)O)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000594613252 858241632 /nfs/dbraw/zinc/24/16/32/858241632.db2.gz BDXHMXBJGNMVRJ-HNNXBMFYSA-N 1 1 386.448 3.528 20 5 GHBDMO COc1cc(C[N@@H+](C[C@H](C)O)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000594613252 858241641 /nfs/dbraw/zinc/24/16/41/858241641.db2.gz BDXHMXBJGNMVRJ-HNNXBMFYSA-N 1 1 386.448 3.528 20 5 GHBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000592795335 858257122 /nfs/dbraw/zinc/25/71/22/858257122.db2.gz WVIFDOBHHLSPHW-LLVKDONJSA-N 1 1 384.358 3.640 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nnnn3-c3ccccc3)s2)cc1 ZINC000521827397 858344849 /nfs/dbraw/zinc/34/48/49/858344849.db2.gz FHZLHSFERNXKDP-UHFFFAOYSA-N 1 1 392.444 3.589 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000131002282 858372057 /nfs/dbraw/zinc/37/20/57/858372057.db2.gz LSVSBFGASWVMSF-RDJZCZTQSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000131002282 858372061 /nfs/dbraw/zinc/37/20/61/858372061.db2.gz LSVSBFGASWVMSF-RDJZCZTQSA-N 1 1 377.803 3.563 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCN(C2CCCCC2)C1=O ZINC000595039435 858376688 /nfs/dbraw/zinc/37/66/88/858376688.db2.gz FWTHXIWJPWFWCF-KBXCAEBGSA-N 1 1 375.469 3.578 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115552744 858566338 /nfs/dbraw/zinc/56/63/38/858566338.db2.gz XYOAFLCYAFCQLW-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000250086583 858686796 /nfs/dbraw/zinc/68/67/96/858686796.db2.gz VUVIPCRGLSAYRK-XLIONFOSSA-N 1 1 381.476 3.821 20 5 GHBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CCc2ccccc21 ZINC000595882060 858705460 /nfs/dbraw/zinc/70/54/60/858705460.db2.gz YPARCASXNIZWPC-MRXNPFEDSA-N 1 1 381.432 3.555 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCCO)[C@@H]3CCCc4ccccc43)nc2c1 ZINC000482697271 858772717 /nfs/dbraw/zinc/77/27/17/858772717.db2.gz VVOWQMMJKMRKKM-HXUWFJFHSA-N 1 1 380.448 3.733 20 5 GHBDMO Cc1c(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000131013252 858779713 /nfs/dbraw/zinc/77/97/13/858779713.db2.gz AUGJPFRARYYTAF-FXAWDEMLSA-N 1 1 387.867 3.661 20 5 GHBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000131013252 858779725 /nfs/dbraw/zinc/77/97/25/858779725.db2.gz AUGJPFRARYYTAF-FXAWDEMLSA-N 1 1 387.867 3.661 20 5 GHBDMO C[C@@H](NC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596167116 858811272 /nfs/dbraw/zinc/81/12/72/858811272.db2.gz DHYZPVPIDZTTDH-DYESRHJHSA-N 1 1 396.491 3.614 20 5 GHBDMO Cn1ccnc1C(=O)c1ccc(NCCC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000060159947 858908815 /nfs/dbraw/zinc/90/88/15/858908815.db2.gz GGIOEFLGSJPWPA-UHFFFAOYSA-N 1 1 399.495 3.626 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1c[nH]c2ccccc12 ZINC000190507179 859079554 /nfs/dbraw/zinc/07/95/54/859079554.db2.gz XTIAQERLIJAEDV-UHFFFAOYSA-N 1 1 396.447 3.935 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483110667 859156539 /nfs/dbraw/zinc/15/65/39/859156539.db2.gz CHKVGCJGTZHHML-HNNXBMFYSA-N 1 1 387.411 3.561 20 5 GHBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000543645356 859193055 /nfs/dbraw/zinc/19/30/55/859193055.db2.gz WWIPFWREPMHHBW-QGZVFWFLSA-N 1 1 386.427 3.862 20 5 GHBDMO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000509373343 859210121 /nfs/dbraw/zinc/21/01/21/859210121.db2.gz PJHAYILXIAJDJH-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](Oc3ncccc3C)C2)c([N+](=O)[O-])c1 ZINC001170354863 881395594 /nfs/dbraw/zinc/39/55/94/881395594.db2.gz QUCFMQASBLUVBM-LPHOPBHVSA-N 1 1 385.464 3.781 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355514 881401058 /nfs/dbraw/zinc/40/10/58/881401058.db2.gz HZLWWJFMXTZDIS-QRQLOZEOSA-N 1 1 381.476 3.603 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001170355215 881401312 /nfs/dbraw/zinc/40/13/12/881401312.db2.gz XSQSUIXCLINMAY-BEFAXECRSA-N 1 1 383.448 3.638 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001170355215 881401429 /nfs/dbraw/zinc/40/14/29/881401429.db2.gz XSQSUIXCLINMAY-BEFAXECRSA-N 1 1 383.448 3.638 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCC2 ZINC000121133799 859359011 /nfs/dbraw/zinc/35/90/11/859359011.db2.gz BNSPPLFPBIGKOO-ROUUACIJSA-N 1 1 376.453 3.631 20 5 GHBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000597204655 859359935 /nfs/dbraw/zinc/35/99/35/859359935.db2.gz CEZYVLYTRAXCRB-QAPCUYQASA-N 1 1 399.422 3.627 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000483488427 859395570 /nfs/dbraw/zinc/39/55/70/859395570.db2.gz CQHPPWXZLATFTE-HWKANZROSA-N 1 1 397.294 3.927 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000483488427 859395578 /nfs/dbraw/zinc/39/55/78/859395578.db2.gz CQHPPWXZLATFTE-HWKANZROSA-N 1 1 397.294 3.927 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000483575318 859460703 /nfs/dbraw/zinc/46/07/03/859460703.db2.gz ORKUYWAQGFXMBK-PXNSSMCTSA-N 1 1 394.475 3.895 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1F ZINC000764507058 859474204 /nfs/dbraw/zinc/47/42/04/859474204.db2.gz GBSSEOMAXCTVLA-CQSZACIVSA-N 1 1 387.411 3.688 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000483641486 859504729 /nfs/dbraw/zinc/50/47/29/859504729.db2.gz JNEZHBMGWWCMOQ-QLFBSQMISA-N 1 1 379.526 3.803 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036684481 859518115 /nfs/dbraw/zinc/51/81/15/859518115.db2.gz AYMOWWQXBUWKQM-INIZCTEOSA-N 1 1 377.828 3.798 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611236040 859658174 /nfs/dbraw/zinc/65/81/74/859658174.db2.gz NNRUAXMGLRUZIS-HOTGVXAUSA-N 1 1 380.448 3.831 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000611262785 859672021 /nfs/dbraw/zinc/67/20/21/859672021.db2.gz SITLKIKSTFNWFU-KRWDZBQOSA-N 1 1 384.432 3.582 20 5 GHBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[N@H+]1C ZINC000611299587 859691265 /nfs/dbraw/zinc/69/12/65/859691265.db2.gz KAAQIFXPIMQBDR-KGLIPLIRSA-N 1 1 377.510 3.794 20 5 GHBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[N@@H+]1C ZINC000611299587 859691267 /nfs/dbraw/zinc/69/12/67/859691267.db2.gz KAAQIFXPIMQBDR-KGLIPLIRSA-N 1 1 377.510 3.794 20 5 GHBDMO Cc1nn(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764955416 859697521 /nfs/dbraw/zinc/69/75/21/859697521.db2.gz OTUHUDXAGQNBOH-HNNXBMFYSA-N 1 1 385.493 3.651 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765033056 859740542 /nfs/dbraw/zinc/74/05/42/859740542.db2.gz OBAMMEWKOJLUIC-MGPUTAFESA-N 1 1 375.469 3.989 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000466518025 859817285 /nfs/dbraw/zinc/81/72/85/859817285.db2.gz XZBNPJYVXQIMSV-UWVAXJGDSA-N 1 1 396.491 3.926 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000484158431 859852810 /nfs/dbraw/zinc/85/28/10/859852810.db2.gz BQJARSWFOCFSKD-JKSUJKDBSA-N 1 1 385.468 3.736 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170345747 881469450 /nfs/dbraw/zinc/46/94/50/881469450.db2.gz LKHMIKLGESYLAI-HOCLYGCPSA-N 1 1 378.469 3.588 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000494288463 881469869 /nfs/dbraw/zinc/46/98/69/881469869.db2.gz SHJWONJZXMYHSG-STTHAQSSSA-N 1 1 383.448 3.966 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000494288463 881469876 /nfs/dbraw/zinc/46/98/76/881469876.db2.gz SHJWONJZXMYHSG-STTHAQSSSA-N 1 1 383.448 3.966 20 5 GHBDMO COc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000123364565 859937069 /nfs/dbraw/zinc/93/70/69/859937069.db2.gz FMLWEHWTTNOIKS-GOSISDBHSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1cccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000123364565 859937079 /nfs/dbraw/zinc/93/70/79/859937079.db2.gz FMLWEHWTTNOIKS-GOSISDBHSA-N 1 1 380.404 3.991 20 5 GHBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388415236 859962405 /nfs/dbraw/zinc/96/24/05/859962405.db2.gz PIFOIQSDMBAJTL-KRWDZBQOSA-N 1 1 387.867 3.985 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CCc3c([nH]nc3C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170351495 881490925 /nfs/dbraw/zinc/49/09/25/881490925.db2.gz CRSCXALCKKLZKO-QFYYESIMSA-N 1 1 384.358 3.891 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170351495 881491012 /nfs/dbraw/zinc/49/10/12/881491012.db2.gz CRSCXALCKKLZKO-QFYYESIMSA-N 1 1 384.358 3.891 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1Br ZINC000602507737 860082252 /nfs/dbraw/zinc/08/22/52/860082252.db2.gz HLYSWBBTMYSFAP-UHFFFAOYSA-N 1 1 397.298 3.704 20 5 GHBDMO CSc1cccc(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598196112 860139755 /nfs/dbraw/zinc/13/97/55/860139755.db2.gz ZQFIQNIDIHQRIR-KRWDZBQOSA-N 1 1 399.516 3.706 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000598220938 860166774 /nfs/dbraw/zinc/16/67/74/860166774.db2.gz RSENVHJDIAZELP-QGZVFWFLSA-N 1 1 394.475 3.794 20 5 GHBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000124219105 860275800 /nfs/dbraw/zinc/27/58/00/860275800.db2.gz DULGUBTVFKQGCT-MRXNPFEDSA-N 1 1 385.464 3.983 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000598396557 860279031 /nfs/dbraw/zinc/27/90/31/860279031.db2.gz NNHDTPZNFSJPTO-LJQANCHMSA-N 1 1 393.487 3.935 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000727837103 860286291 /nfs/dbraw/zinc/28/62/91/860286291.db2.gz KAUXPPRLBIEILQ-KRWDZBQOSA-N 1 1 384.354 3.533 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000552316832 860507278 /nfs/dbraw/zinc/50/72/78/860507278.db2.gz NYUUAINYWVSTHP-OAQYLSRUSA-N 1 1 396.443 3.874 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000552316832 860507282 /nfs/dbraw/zinc/50/72/82/860507282.db2.gz NYUUAINYWVSTHP-OAQYLSRUSA-N 1 1 396.443 3.874 20 5 GHBDMO Cc1cccc(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000025534456 860535159 /nfs/dbraw/zinc/53/51/59/860535159.db2.gz OQNWGOZZALLXJP-FQEVSTJZSA-N 1 1 381.476 3.716 20 5 GHBDMO CC(C)NC(=O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000061027520 860584520 /nfs/dbraw/zinc/58/45/20/860584520.db2.gz KVDSWVBBKYJIQL-UHFFFAOYSA-N 1 1 377.828 3.655 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)cc1 ZINC000599023478 860732928 /nfs/dbraw/zinc/73/29/28/860732928.db2.gz SROUYVIHZXKUJI-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)[nH+]c1C ZINC000899511792 860955512 /nfs/dbraw/zinc/95/55/12/860955512.db2.gz KSCDBVQBTZKLFT-UHFFFAOYSA-N 1 1 396.369 3.973 20 5 GHBDMO C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185577710 861007280 /nfs/dbraw/zinc/00/72/80/861007280.db2.gz GMWKECZKVKTZGT-SOUVJXGZSA-N 1 1 377.460 3.607 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000522730488 863159098 /nfs/dbraw/zinc/15/90/98/863159098.db2.gz UGAWKHPHIZBWDG-CQSZACIVSA-N 1 1 381.904 3.808 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](O)C[C@H]3c3cccc(F)c3)o2)c1 ZINC000281628732 863293505 /nfs/dbraw/zinc/29/35/05/863293505.db2.gz HZSVJBRRSHVDLI-MOPGFXCFSA-N 1 1 397.406 3.739 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)o2)c([N+](=O)[O-])c1 ZINC000121234053 863683061 /nfs/dbraw/zinc/68/30/61/863683061.db2.gz WCZMNCWVUCBUAU-CQSZACIVSA-N 1 1 382.420 3.966 20 5 GHBDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000444234467 863716830 /nfs/dbraw/zinc/71/68/30/863716830.db2.gz DMPXRDPNCNNZMG-INIZCTEOSA-N 1 1 399.447 3.524 20 5 GHBDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000734145538 864032921 /nfs/dbraw/zinc/03/29/21/864032921.db2.gz LSNHSDPSRFEKKL-LJQANCHMSA-N 1 1 377.448 3.826 20 5 GHBDMO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000475123585 864258655 /nfs/dbraw/zinc/25/86/55/864258655.db2.gz XYWOFEBJUDDDMR-ZWKOTPCHSA-N 1 1 386.473 3.893 20 5 GHBDMO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000475123585 864258669 /nfs/dbraw/zinc/25/86/69/864258669.db2.gz XYWOFEBJUDDDMR-ZWKOTPCHSA-N 1 1 386.473 3.893 20 5 GHBDMO C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000519757152 864523293 /nfs/dbraw/zinc/52/32/93/864523293.db2.gz GVLJIRNOGHOMBY-FQEVSTJZSA-N 1 1 387.867 3.572 20 5 GHBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n1)OC2 ZINC000520458240 881794095 /nfs/dbraw/zinc/79/40/95/881794095.db2.gz NKSDMZDCQPCZBK-BBRMVZONSA-N 1 1 398.341 3.589 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H](O)c1ccc(C)cc1 ZINC000173834632 865145834 /nfs/dbraw/zinc/14/58/34/865145834.db2.gz QNGQFGCGDYMQQK-SFHVURJKSA-N 1 1 382.420 3.509 20 5 GHBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H](O)c1ccc(C)cc1 ZINC000173834632 865145845 /nfs/dbraw/zinc/14/58/45/865145845.db2.gz QNGQFGCGDYMQQK-SFHVURJKSA-N 1 1 382.420 3.509 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594197509 865337421 /nfs/dbraw/zinc/33/74/21/865337421.db2.gz OWBYDAMUASLMOL-IAGOWNOFSA-N 1 1 377.510 3.844 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)c2)C[C@H](C)O1 ZINC000737600420 865404138 /nfs/dbraw/zinc/40/41/38/865404138.db2.gz SCIIZYVILJJGEP-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)c2)C[C@H](C)O1 ZINC000737600420 865404144 /nfs/dbraw/zinc/40/41/44/865404144.db2.gz SCIIZYVILJJGEP-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C[C@H](C)O1 ZINC000301549924 865417956 /nfs/dbraw/zinc/41/79/56/865417956.db2.gz MAKFMXUUBKSGAT-CALCHBBNSA-N 1 1 398.507 3.859 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128485883 865525621 /nfs/dbraw/zinc/52/56/21/865525621.db2.gz QBGRVOJZYHAXAS-GOSISDBHSA-N 1 1 387.411 3.908 20 5 GHBDMO COC(=O)c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC001170424614 881903080 /nfs/dbraw/zinc/90/30/80/881903080.db2.gz NDWBJZRYPOAGGF-MRXNPFEDSA-N 1 1 394.431 3.637 20 5 GHBDMO COC(=O)c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC001170424614 881903090 /nfs/dbraw/zinc/90/30/90/881903090.db2.gz NDWBJZRYPOAGGF-MRXNPFEDSA-N 1 1 394.431 3.637 20 5 GHBDMO C[C@H](OC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741017629 866177621 /nfs/dbraw/zinc/17/76/21/866177621.db2.gz CZKZVZSVPBIOIC-XUXIUFHCSA-N 1 1 388.424 3.510 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000475564973 866301962 /nfs/dbraw/zinc/30/19/62/866301962.db2.gz ZNZRDTNGCYOBHJ-UHFFFAOYSA-N 1 1 390.411 3.696 20 5 GHBDMO CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000534246177 866363470 /nfs/dbraw/zinc/36/34/70/866363470.db2.gz MKWHARATHXOTEP-QGZVFWFLSA-N 1 1 392.459 3.813 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534245665 866364709 /nfs/dbraw/zinc/36/47/09/866364709.db2.gz JJRGXXNDCKZEEC-CVEARBPZSA-N 1 1 384.480 3.803 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475574540 866394649 /nfs/dbraw/zinc/39/46/49/866394649.db2.gz OPTMAPXEKWUJBY-GOSISDBHSA-N 1 1 384.432 3.792 20 5 GHBDMO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456327570 866447178 /nfs/dbraw/zinc/44/71/78/866447178.db2.gz HRKLYHDNAQTYHM-GOSISDBHSA-N 1 1 381.476 3.508 20 5 GHBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000523285425 867024561 /nfs/dbraw/zinc/02/45/61/867024561.db2.gz NFJMWTDDIDVLJE-UHFFFAOYSA-N 1 1 396.451 3.533 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](C)CC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000444676469 867052606 /nfs/dbraw/zinc/05/26/06/867052606.db2.gz QKDILTLOBWUOTD-UHFFFAOYSA-N 1 1 383.448 3.596 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000444676469 867052621 /nfs/dbraw/zinc/05/26/21/867052621.db2.gz QKDILTLOBWUOTD-UHFFFAOYSA-N 1 1 383.448 3.596 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000553252449 867054866 /nfs/dbraw/zinc/05/48/66/867054866.db2.gz NLMZPQYXTOELLH-OAHLLOKOSA-N 1 1 398.463 3.607 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689944 867069380 /nfs/dbraw/zinc/06/93/80/867069380.db2.gz PRXQRRRPXUGASZ-BRLLKYFNSA-N 1 1 393.491 3.717 20 5 GHBDMO C[C@H]1C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1c1ccccc1 ZINC000742165953 867089145 /nfs/dbraw/zinc/08/91/45/867089145.db2.gz MVAWWHRKGFAXFY-OXJNMPFZSA-N 1 1 377.448 3.936 20 5 GHBDMO C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@H]1c1ccccc1 ZINC000742166440 867090799 /nfs/dbraw/zinc/09/07/99/867090799.db2.gz PSWPILHHKBSGKV-VQIMIIECSA-N 1 1 377.448 3.936 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)OCc1ccccc1 ZINC000793296195 882074600 /nfs/dbraw/zinc/07/46/00/882074600.db2.gz DUFGPOMAGKAORK-LJQANCHMSA-N 1 1 383.448 3.733 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)cc1Br ZINC000897339051 868352978 /nfs/dbraw/zinc/35/29/78/868352978.db2.gz CPZVWTPBWURGPU-KGLIPLIRSA-N 1 1 383.267 3.557 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(c4cc(C5CC5)[nH]n4)CC3)o2)cc1 ZINC000428401930 868414097 /nfs/dbraw/zinc/41/40/97/868414097.db2.gz QNJJZCXJRPGZPB-UHFFFAOYSA-N 1 1 393.447 3.778 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000535367748 868637811 /nfs/dbraw/zinc/63/78/11/868637811.db2.gz TWGYNYNGQGNIQI-MAUKXSAKSA-N 1 1 392.459 3.570 20 5 GHBDMO O=[N+]([O-])c1cccc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000029846093 869546175 /nfs/dbraw/zinc/54/61/75/869546175.db2.gz RSJZVTKVAUPVTR-UHFFFAOYSA-N 1 1 379.382 3.931 20 5 GHBDMO Cc1nc(C(C)C)oc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000428439613 869761733 /nfs/dbraw/zinc/76/17/33/869761733.db2.gz YEPCXLWKMHIRER-UHFFFAOYSA-N 1 1 398.467 3.603 20 5 GHBDMO COc1cc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000524971746 869855650 /nfs/dbraw/zinc/85/56/50/869855650.db2.gz WQTYREKUVJFAPP-CYBMUJFWSA-N 1 1 396.390 3.588 20 5 GHBDMO COc1cc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000524971746 869855662 /nfs/dbraw/zinc/85/56/62/869855662.db2.gz WQTYREKUVJFAPP-CYBMUJFWSA-N 1 1 396.390 3.588 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441043314 869920138 /nfs/dbraw/zinc/92/01/38/869920138.db2.gz HCKMDISNOIXGLE-YWZLYKJASA-N 1 1 383.448 3.556 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000446488774 869922007 /nfs/dbraw/zinc/92/20/07/869922007.db2.gz QLEXYJUSSNDFEJ-FQEVSTJZSA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)c1C ZINC000462757295 870037662 /nfs/dbraw/zinc/03/76/62/870037662.db2.gz ADKRZRXRNICSRQ-UHFFFAOYSA-N 1 1 389.415 3.991 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)cc([N+](=O)[O-])c1OC ZINC000462772576 870070108 /nfs/dbraw/zinc/07/01/08/870070108.db2.gz IVKGRBYHAVIUIT-UHFFFAOYSA-N 1 1 396.403 3.667 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc1OC(F)F ZINC000462917768 870399611 /nfs/dbraw/zinc/39/96/11/870399611.db2.gz YYMZONLBLMLIDW-UHFFFAOYSA-N 1 1 393.390 3.641 20 5 GHBDMO C[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000446838884 870560073 /nfs/dbraw/zinc/56/00/73/870560073.db2.gz NBWXLIBJDCJVBO-DOTOQJQBSA-N 1 1 379.464 3.614 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(Cl)c1 ZINC000525373553 870571665 /nfs/dbraw/zinc/57/16/65/870571665.db2.gz FDTSRGIKFVBLMF-QAPCUYQASA-N 1 1 375.856 3.543 20 5 GHBDMO CC[C@@H]1C[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[C@H]1c1ccccc1 ZINC000746380281 870586505 /nfs/dbraw/zinc/58/65/05/870586505.db2.gz CMZSLRHJOBPPES-CRAIPNDOSA-N 1 1 393.443 3.664 20 5 GHBDMO CC[C@@H]1C[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[C@H]1c1ccccc1 ZINC000746380281 870586514 /nfs/dbraw/zinc/58/65/14/870586514.db2.gz CMZSLRHJOBPPES-CRAIPNDOSA-N 1 1 393.443 3.664 20 5 GHBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617711240 870772159 /nfs/dbraw/zinc/77/21/59/870772159.db2.gz OYLVBUZTTAAYJY-HKUYNNGSSA-N 1 1 381.476 3.727 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001169011630 871096096 /nfs/dbraw/zinc/09/60/96/871096096.db2.gz LSYFHEGKQNSIAQ-UHOSZYNNSA-N 1 1 389.496 3.726 20 5 GHBDMO C[N@@H+](C1CN(C(c2ccccc2)c2ccccc2)C1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037087 871115236 /nfs/dbraw/zinc/11/52/36/871115236.db2.gz QUOSDLGKPMEORP-WIYYLYMNSA-N 1 1 379.504 3.837 20 5 GHBDMO O=C(CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cc(F)cc(F)c1 ZINC000441254696 871530426 /nfs/dbraw/zinc/53/04/26/871530426.db2.gz COHQCJUVYLWKDK-UHFFFAOYSA-N 1 1 375.375 3.866 20 5 GHBDMO Cc1cccc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1[N+](=O)[O-] ZINC001169520378 871593571 /nfs/dbraw/zinc/59/35/71/871593571.db2.gz PDUSISGLFISRNT-PKOBYXMFSA-N 1 1 383.448 3.774 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001169527460 871607094 /nfs/dbraw/zinc/60/70/94/871607094.db2.gz MPJAWIFPZASCTR-KUHUBIRLSA-N 1 1 387.867 3.889 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000618584174 871732041 /nfs/dbraw/zinc/73/20/41/871732041.db2.gz LPTCLVGEVMSVGK-JTQLQIEISA-N 1 1 380.317 3.540 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000463443566 871753511 /nfs/dbraw/zinc/75/35/11/871753511.db2.gz OQHXASOLKXQNCT-QFIPXVFZSA-N 1 1 384.476 3.811 20 5 GHBDMO C[C@@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000544418838 871780808 /nfs/dbraw/zinc/78/08/08/871780808.db2.gz VJGTVSVWWVOLRW-OAHLLOKOSA-N 1 1 387.455 3.864 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001194899405 872019284 /nfs/dbraw/zinc/01/92/84/872019284.db2.gz RIZRFUDDSVSXSV-HOCLYGCPSA-N 1 1 393.484 3.586 20 5 GHBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447673574 872073935 /nfs/dbraw/zinc/07/39/35/872073935.db2.gz YYLVOQXMLDRXQX-LLVKDONJSA-N 1 1 396.360 3.955 20 5 GHBDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447909201 872512395 /nfs/dbraw/zinc/51/23/95/872512395.db2.gz WAGXTERWHJWHLK-FOIQADDNSA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447909203 872512522 /nfs/dbraw/zinc/51/25/22/872512522.db2.gz WAGXTERWHJWHLK-QRWLVFNGSA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000447932565 872566924 /nfs/dbraw/zinc/56/69/24/872566924.db2.gz ZNCCNKHNBAVJRD-FOIQADDNSA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000447932565 872566930 /nfs/dbraw/zinc/56/69/30/872566930.db2.gz ZNCCNKHNBAVJRD-FOIQADDNSA-N 1 1 390.867 3.790 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000070695776 872733443 /nfs/dbraw/zinc/73/34/43/872733443.db2.gz PFXVIWKIVZCXPS-QRWLVFNGSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000070695776 872733454 /nfs/dbraw/zinc/73/34/54/872733454.db2.gz PFXVIWKIVZCXPS-QRWLVFNGSA-N 1 1 383.448 3.694 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] ZINC000182815830 872808880 /nfs/dbraw/zinc/80/88/80/872808880.db2.gz DTULDWSDGXOJLT-CYBMUJFWSA-N 1 1 384.358 3.656 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] ZINC000182815830 872808897 /nfs/dbraw/zinc/80/88/97/872808897.db2.gz DTULDWSDGXOJLT-CYBMUJFWSA-N 1 1 384.358 3.656 20 5 GHBDMO CC1(C)C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCc2ccccc21 ZINC001196031963 872843754 /nfs/dbraw/zinc/84/37/54/872843754.db2.gz LNJBEITTWHALJJ-UHFFFAOYSA-N 1 1 378.432 3.981 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000463956149 872948224 /nfs/dbraw/zinc/94/82/24/872948224.db2.gz XEOOPCRADKIXOG-KRWDZBQOSA-N 1 1 382.464 3.950 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000463956149 872948236 /nfs/dbraw/zinc/94/82/36/872948236.db2.gz XEOOPCRADKIXOG-KRWDZBQOSA-N 1 1 382.464 3.950 20 5 GHBDMO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768183959 873150633 /nfs/dbraw/zinc/15/06/33/873150633.db2.gz ROBJMKGGVDJVJR-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768183959 873150645 /nfs/dbraw/zinc/15/06/45/873150645.db2.gz ROBJMKGGVDJVJR-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO C[N@@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](c2ccccc2)C1 ZINC000183080456 873185766 /nfs/dbraw/zinc/18/57/66/873185766.db2.gz ZYQNYNYGHRDDMN-FQEVSTJZSA-N 1 1 378.432 3.739 20 5 GHBDMO C[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](c2ccccc2)C1 ZINC000183080456 873185774 /nfs/dbraw/zinc/18/57/74/873185774.db2.gz ZYQNYNYGHRDDMN-FQEVSTJZSA-N 1 1 378.432 3.739 20 5 GHBDMO Cc1cccc(C[N@H+](Cc2ccco2)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000541281316 873304803 /nfs/dbraw/zinc/30/48/03/873304803.db2.gz GNAKVYKZPDVVOQ-LJQANCHMSA-N 1 1 396.443 3.938 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001197169051 873636663 /nfs/dbraw/zinc/63/66/63/873636663.db2.gz VAUFRBYUMUWGGA-RHSMWYFYSA-N 1 1 393.459 3.955 20 5 GHBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000769095349 873786024 /nfs/dbraw/zinc/78/60/24/873786024.db2.gz CVJUIVUZAVMKJU-UHFFFAOYSA-N 1 1 386.452 3.727 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000921244326 882767657 /nfs/dbraw/zinc/76/76/57/882767657.db2.gz YWXCUBJQCBQCKC-QGZVFWFLSA-N 1 1 388.512 3.579 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000921244325 882767861 /nfs/dbraw/zinc/76/78/61/882767861.db2.gz YWXCUBJQCBQCKC-KRWDZBQOSA-N 1 1 388.512 3.579 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448783118 873965147 /nfs/dbraw/zinc/96/51/47/873965147.db2.gz GJDPEJZVGPJCTN-XQQFMLRXSA-N 1 1 387.402 3.710 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000494667769 882781056 /nfs/dbraw/zinc/78/10/56/882781056.db2.gz KKROANLNRSDFFV-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC001197823447 874079712 /nfs/dbraw/zinc/07/97/12/874079712.db2.gz MVBPPWLACIRQNK-UHFFFAOYSA-N 1 1 382.464 3.815 20 5 GHBDMO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000595777361 874214428 /nfs/dbraw/zinc/21/44/28/874214428.db2.gz FRXYVQFOARNPCF-CVEARBPZSA-N 1 1 386.452 3.861 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)c2)c1 ZINC000769780788 874286071 /nfs/dbraw/zinc/28/60/71/874286071.db2.gz FOEYXFJTUAZHFX-NRFANRHFSA-N 1 1 376.416 3.547 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)c2)c1 ZINC000769780788 874286078 /nfs/dbraw/zinc/28/60/78/874286078.db2.gz FOEYXFJTUAZHFX-NRFANRHFSA-N 1 1 376.416 3.547 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475722042 882817046 /nfs/dbraw/zinc/81/70/46/882817046.db2.gz IFGNZVOTVAWSSQ-MAUKXSAKSA-N 1 1 384.432 3.525 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464843107 874614701 /nfs/dbraw/zinc/61/47/01/874614701.db2.gz PZWSLLKIHXECRV-ROUUACIJSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000770385708 874670581 /nfs/dbraw/zinc/67/05/81/874670581.db2.gz KGDQQADHOBUDAZ-VTBIRBAPSA-N 1 1 375.469 3.843 20 5 GHBDMO CN(C)[C@H](C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC001198907723 874724154 /nfs/dbraw/zinc/72/41/54/874724154.db2.gz FNCXHPUZOXJYJA-QGZVFWFLSA-N 1 1 378.270 3.750 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000449367912 874766619 /nfs/dbraw/zinc/76/66/19/874766619.db2.gz ZWBCSUMYVOXURN-BEFAXECRSA-N 1 1 380.473 3.897 20 5 GHBDMO CC[C@H](CO)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449377751 874793533 /nfs/dbraw/zinc/79/35/33/874793533.db2.gz UHINYWSQHWMKDZ-GOSISDBHSA-N 1 1 380.448 3.650 20 5 GHBDMO CN(C)C(=O)C1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000449464159 874920500 /nfs/dbraw/zinc/92/05/00/874920500.db2.gz XRLGWHQPYSYZOY-UHFFFAOYSA-N 1 1 388.493 3.599 20 5 GHBDMO CO[C@](C)(C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000449486106 874939886 /nfs/dbraw/zinc/93/98/86/874939886.db2.gz SPSNFTAAJPLAOG-PZJWPPBQSA-N 1 1 380.448 3.569 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1nccn1C(C)C ZINC001199411332 874975277 /nfs/dbraw/zinc/97/52/77/874975277.db2.gz HSIARCBJRCHXJE-UHFFFAOYSA-N 1 1 389.459 3.721 20 5 GHBDMO C[N@@H+](CCc1cccc2ccccc21)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000303191104 875225380 /nfs/dbraw/zinc/22/53/80/875225380.db2.gz ZGUCKEXBWMOGTC-FQEVSTJZSA-N 1 1 380.444 3.662 20 5 GHBDMO Cc1ccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000465181288 875233213 /nfs/dbraw/zinc/23/32/13/875233213.db2.gz CVXKFIHLYFNFPZ-OAHLLOKOSA-N 1 1 383.448 3.876 20 5 GHBDMO Cc1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cc([N+](=O)[O-])c1 ZINC000465195539 875302129 /nfs/dbraw/zinc/30/21/29/875302129.db2.gz MJBVPNQCLRHVMY-OAHLLOKOSA-N 1 1 383.448 3.876 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000163306930 875509778 /nfs/dbraw/zinc/50/97/78/875509778.db2.gz HQZHWGYALYAPDM-CQSZACIVSA-N 1 1 389.887 3.946 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000163306930 875509801 /nfs/dbraw/zinc/50/98/01/875509801.db2.gz HQZHWGYALYAPDM-CQSZACIVSA-N 1 1 389.887 3.946 20 5 GHBDMO NC(=O)c1ccc(C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000029941901 875691916 /nfs/dbraw/zinc/69/19/16/875691916.db2.gz LHEBITOPDHVKGQ-SFHVURJKSA-N 1 1 385.420 3.774 20 5 GHBDMO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1=O ZINC000549908146 875863970 /nfs/dbraw/zinc/86/39/70/875863970.db2.gz XAIOVITYXYNEQS-MLGOLLRUSA-N 1 1 377.441 3.637 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@@H](NCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001201880843 875920316 /nfs/dbraw/zinc/92/03/16/875920316.db2.gz FNHOUGSHXYZJTG-INIZCTEOSA-N 1 1 376.254 3.634 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](NCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001201880843 875920323 /nfs/dbraw/zinc/92/03/23/875920323.db2.gz FNHOUGSHXYZJTG-INIZCTEOSA-N 1 1 376.254 3.634 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000450280397 876212794 /nfs/dbraw/zinc/21/27/94/876212794.db2.gz YFRGAEZHBOWBOF-NVXWUHKLSA-N 1 1 393.365 3.789 20 5 GHBDMO Cc1nc(N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000450429169 876405889 /nfs/dbraw/zinc/40/58/89/876405889.db2.gz KRXYEZJEVZQRBH-WBVHZDCISA-N 1 1 377.395 3.607 20 5 GHBDMO Cc1nc(N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000450429169 876405892 /nfs/dbraw/zinc/40/58/92/876405892.db2.gz KRXYEZJEVZQRBH-WBVHZDCISA-N 1 1 377.395 3.607 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000609156710 876649321 /nfs/dbraw/zinc/64/93/21/876649321.db2.gz IVAYSNKBJUKORK-KRWDZBQOSA-N 1 1 397.475 3.778 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492358437 876705111 /nfs/dbraw/zinc/70/51/11/876705111.db2.gz RUVIMARNAJJLAH-QGZVFWFLSA-N 1 1 383.448 3.844 20 5 GHBDMO Cc1ccc(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000609975742 877235935 /nfs/dbraw/zinc/23/59/35/877235935.db2.gz OMVRDYQBRBRDCD-HZPDHXFCSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1cccc(NC(=O)N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000610001579 877273274 /nfs/dbraw/zinc/27/32/74/877273274.db2.gz UMHWGWQKRMPTKM-UHFFFAOYSA-N 1 1 398.463 3.522 20 5 GHBDMO COc1cc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000492660826 877315511 /nfs/dbraw/zinc/31/55/11/877315511.db2.gz OQYQIQDNSSXTSO-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000492660826 877315523 /nfs/dbraw/zinc/31/55/23/877315523.db2.gz OQYQIQDNSSXTSO-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000492694883 877362190 /nfs/dbraw/zinc/36/21/90/877362190.db2.gz GOFNAORQBFUMIR-UHFFFAOYSA-N 1 1 398.463 3.780 20 5 GHBDMO C[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1Cc1ccccc1 ZINC001170073469 877422102 /nfs/dbraw/zinc/42/21/02/877422102.db2.gz GGBFWDVYRUWJJV-GOSISDBHSA-N 1 1 393.409 3.972 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@](C)(COC)C2)cc1OC ZINC000451203001 877570017 /nfs/dbraw/zinc/57/00/17/877570017.db2.gz OSGYJIIKYAUUQI-MGPUTAFESA-N 1 1 380.485 3.887 20 5 GHBDMO CCOc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492819541 877588151 /nfs/dbraw/zinc/58/81/51/877588151.db2.gz SIOJSYGVEGWIPI-FXAWDEMLSA-N 1 1 383.492 3.994 20 5 GHBDMO CCOc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492819541 877588163 /nfs/dbraw/zinc/58/81/63/877588163.db2.gz SIOJSYGVEGWIPI-FXAWDEMLSA-N 1 1 383.492 3.994 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC(C)(C)CO)c([N+](=O)[O-])c1 ZINC000451248860 877662052 /nfs/dbraw/zinc/66/20/52/877662052.db2.gz PIHHLZIFMAHQRU-IBGZPJMESA-N 1 1 385.464 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC(C)(C)CO)c([N+](=O)[O-])c1 ZINC000451248860 877662058 /nfs/dbraw/zinc/66/20/58/877662058.db2.gz PIHHLZIFMAHQRU-IBGZPJMESA-N 1 1 385.464 3.533 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451326423 877806047 /nfs/dbraw/zinc/80/60/47/877806047.db2.gz CYILPHLDEPVPJP-SFHVURJKSA-N 1 1 391.855 3.551 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451402957 877924200 /nfs/dbraw/zinc/92/42/00/877924200.db2.gz CLSZMCUNQLAMBW-RYUDHWBXSA-N 1 1 389.374 3.595 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H](O)COc3cccc4[nH]ccc43)C2)cc1 ZINC000451543490 878113083 /nfs/dbraw/zinc/11/30/83/878113083.db2.gz BZSZLPCMYUFSKJ-PKOBYXMFSA-N 1 1 395.459 3.695 20 5 GHBDMO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550007 878132349 /nfs/dbraw/zinc/13/23/49/878132349.db2.gz QKEDRBVLUKUXSW-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550007 878132354 /nfs/dbraw/zinc/13/23/54/878132354.db2.gz QKEDRBVLUKUXSW-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553214 878137393 /nfs/dbraw/zinc/13/73/93/878137393.db2.gz XVHVYCLTVPDDGY-WBVHZDCISA-N 1 1 385.468 3.579 20 5 GHBDMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553214 878137402 /nfs/dbraw/zinc/13/74/02/878137402.db2.gz XVHVYCLTVPDDGY-WBVHZDCISA-N 1 1 385.468 3.579 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582172 878197024 /nfs/dbraw/zinc/19/70/24/878197024.db2.gz RWUXFNWXAHVVIN-NRFANRHFSA-N 1 1 381.432 3.848 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)cc1 ZINC000776588743 878290654 /nfs/dbraw/zinc/29/06/54/878290654.db2.gz BJHOFGILJHIKSM-WOJBJXKFSA-N 1 1 398.484 3.926 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068467697 878624008 /nfs/dbraw/zinc/62/40/08/878624008.db2.gz PSVUDCQIJMYHTN-UHFFFAOYSA-N 1 1 386.496 3.520 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000853120660 878829590 /nfs/dbraw/zinc/82/95/90/878829590.db2.gz NWOZGNHTPQVNOT-RBBKRZOGSA-N 1 1 395.503 3.520 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000853120660 878829598 /nfs/dbraw/zinc/82/95/98/878829598.db2.gz NWOZGNHTPQVNOT-RBBKRZOGSA-N 1 1 395.503 3.520 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)nc1-c1ccccn1 ZINC000853497405 879064080 /nfs/dbraw/zinc/06/40/80/879064080.db2.gz YHBQIDJRSOLABO-INIZCTEOSA-N 1 1 381.411 3.515 20 5 GHBDMO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000130863096 879192280 /nfs/dbraw/zinc/19/22/80/879192280.db2.gz CPDNLHJEDBKBBX-WHDAMIPWSA-N 1 1 380.441 3.725 20 5 GHBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000130863096 879192292 /nfs/dbraw/zinc/19/22/92/879192292.db2.gz CPDNLHJEDBKBBX-WHDAMIPWSA-N 1 1 380.441 3.725 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+]1Cc1ccccc1 ZINC000538330916 879282450 /nfs/dbraw/zinc/28/24/50/879282450.db2.gz CYYCPBJMOBCKKW-IBGZPJMESA-N 1 1 397.475 3.730 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC(C)(c2nnc(C3CCOCC3)o2)C1 ZINC000854076401 879504505 /nfs/dbraw/zinc/50/45/05/879504505.db2.gz RLBAPOMVCJPUIJ-CQSZACIVSA-N 1 1 386.452 3.515 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031565840 879702264 /nfs/dbraw/zinc/70/22/64/879702264.db2.gz BFRZERIAQAAZOB-AEFFLSMTSA-N 1 1 399.516 3.856 20 5 GHBDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000461413076 879807717 /nfs/dbraw/zinc/80/77/17/879807717.db2.gz KROQBRRTRKZLOB-UHFFFAOYSA-N 1 1 397.475 3.862 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000520184730 880075878 /nfs/dbraw/zinc/07/58/78/880075878.db2.gz PWEYOQRTUFAXSR-HNNXBMFYSA-N 1 1 377.510 3.700 20 5 GHBDMO CN(CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC(C)(C)C ZINC000113333448 880518757 /nfs/dbraw/zinc/51/87/57/880518757.db2.gz JHIDIGJNXUZMQA-UHFFFAOYSA-N 1 1 392.481 3.675 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])o4)no3)cc2)C[C@H](C)O1 ZINC000453239322 880668741 /nfs/dbraw/zinc/66/87/41/880668741.db2.gz BDQJXGJPOIJUET-BETUJISGSA-N 1 1 384.392 3.514 20 5 GHBDMO COc1cc(CNC(C)(C)C[NH+](C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000453598352 881071598 /nfs/dbraw/zinc/07/15/98/881071598.db2.gz NXXXBVJBKHOHTM-UHFFFAOYSA-N 1 1 387.480 3.612 20 5 GHBDMO COc1ccc(C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C2CC2)cc1 ZINC000919945903 881228844 /nfs/dbraw/zinc/22/88/44/881228844.db2.gz QZQSJGYZIYEXOG-CQSZACIVSA-N 1 1 397.431 3.770 20 5 GHBDMO C[C@@]1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000804683949 883266900 /nfs/dbraw/zinc/26/69/00/883266900.db2.gz OQMKHGIAAPVDKL-NRFANRHFSA-N 1 1 393.447 3.568 20 5 GHBDMO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609772950 883633814 /nfs/dbraw/zinc/63/38/14/883633814.db2.gz KUISJUXMYOSESW-KRWDZBQOSA-N 1 1 396.447 3.993 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000918586078 884012882 /nfs/dbraw/zinc/01/28/82/884012882.db2.gz XMMLADMOAFBWJA-QGZVFWFLSA-N 1 1 388.512 3.579 20 5 GHBDMO C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498382023 884236332 /nfs/dbraw/zinc/23/63/32/884236332.db2.gz JCYVOMLSOCTQPC-HKUYNNGSSA-N 1 1 395.503 3.899 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000843793547 884551410 /nfs/dbraw/zinc/55/14/10/884551410.db2.gz ZLLQQQILOQFJJE-AWEZNQCLSA-N 1 1 387.411 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCN(c4ccc(F)c(F)c4)CC3)nc2c1 ZINC000556533100 885260556 /nfs/dbraw/zinc/26/05/56/885260556.db2.gz DHWKQMZCBIKOPW-UHFFFAOYSA-N 1 1 388.374 3.727 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCN(c4ccc(F)c(F)c4)CC3)nc2c1 ZINC000556533100 885260575 /nfs/dbraw/zinc/26/05/75/885260575.db2.gz DHWKQMZCBIKOPW-UHFFFAOYSA-N 1 1 388.374 3.727 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000542550274 885273306 /nfs/dbraw/zinc/27/33/06/885273306.db2.gz ILBIDMGDLNAECQ-QYWGDWMGSA-N 1 1 399.466 3.864 20 5 GHBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000498719876 885475075 /nfs/dbraw/zinc/47/50/75/885475075.db2.gz GHJGEANLUVAGFR-HNNXBMFYSA-N 1 1 385.489 3.912 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000532576535 886154913 /nfs/dbraw/zinc/15/49/13/886154913.db2.gz BJCYEVSQWLENOT-MAUKXSAKSA-N 1 1 383.448 3.668 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000532576535 886154916 /nfs/dbraw/zinc/15/49/16/886154916.db2.gz BJCYEVSQWLENOT-MAUKXSAKSA-N 1 1 383.448 3.668 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532579533 886164284 /nfs/dbraw/zinc/16/42/84/886164284.db2.gz OZQNWAFSYXLEAA-RHSMWYFYSA-N 1 1 383.423 3.501 20 5 GHBDMO COc1cccc(C[N@H+](CC(C)C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794623303 887687448 /nfs/dbraw/zinc/68/74/48/887687448.db2.gz LLZICVVVIXZKNL-UHFFFAOYSA-N 1 1 385.420 3.627 20 5 GHBDMO COc1cccc(C[N@@H+](CC(C)C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794623303 887687457 /nfs/dbraw/zinc/68/74/57/887687457.db2.gz LLZICVVVIXZKNL-UHFFFAOYSA-N 1 1 385.420 3.627 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809689374 887707434 /nfs/dbraw/zinc/70/74/34/887707434.db2.gz ZPVAOWPHSHCAJL-HXUWFJFHSA-N 1 1 377.485 3.716 20 5 GHBDMO Cc1c[n+]([O-])c(NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC001170586267 887740397 /nfs/dbraw/zinc/74/03/97/887740397.db2.gz SCLFGTSGPRXZOO-HNNXBMFYSA-N 1 1 385.251 3.558 20 5 GHBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809996083 888054145 /nfs/dbraw/zinc/05/41/45/888054145.db2.gz RKJWQWRBCIWGLL-LBPRGKRZSA-N 1 1 388.295 3.587 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000763210376 888304212 /nfs/dbraw/zinc/30/42/12/888304212.db2.gz LOPQDRHPALJGLO-KRWDZBQOSA-N 1 1 385.512 3.879 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000488060617 888561338 /nfs/dbraw/zinc/56/13/38/888561338.db2.gz XIEVMLWIMFZRCI-PXNSSMCTSA-N 1 1 381.476 3.993 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001132306439 888579071 /nfs/dbraw/zinc/57/90/71/888579071.db2.gz IBUXULKNPOJSKR-IEBWSBKVSA-N 1 1 395.503 3.757 20 5 GHBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000810617775 888684345 /nfs/dbraw/zinc/68/43/45/888684345.db2.gz GDVLJYROIIZMMN-OAHLLOKOSA-N 1 1 395.415 3.924 20 5 GHBDMO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC001132393732 888751325 /nfs/dbraw/zinc/75/13/25/888751325.db2.gz SNZAZHXDUOMPOW-IBGZPJMESA-N 1 1 397.475 3.696 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153866499 888754326 /nfs/dbraw/zinc/75/43/26/888754326.db2.gz VPLPZFQSGDEACE-UHFFFAOYSA-N 1 1 392.500 3.506 20 5 GHBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000810846171 888938742 /nfs/dbraw/zinc/93/87/42/888938742.db2.gz XLUHQZADNMYJJJ-IEBWSBKVSA-N 1 1 396.443 3.957 20 5 GHBDMO Cc1ccc(C[C@H](C)[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000532971752 889412567 /nfs/dbraw/zinc/41/25/67/889412567.db2.gz AAAUXEHEKQEPKI-INIZCTEOSA-N 1 1 383.448 3.764 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000532977410 889442243 /nfs/dbraw/zinc/44/22/43/889442243.db2.gz DLKOPWRQBKMOKC-UHFFFAOYSA-N 1 1 399.422 3.944 20 5 GHBDMO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000533031695 889575065 /nfs/dbraw/zinc/57/50/65/889575065.db2.gz OFFSQQLYRIBTPM-UHFFFAOYSA-N 1 1 382.420 3.533 20 5 GHBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000533031695 889575079 /nfs/dbraw/zinc/57/50/79/889575079.db2.gz OFFSQQLYRIBTPM-UHFFFAOYSA-N 1 1 382.420 3.533 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000454758787 889697818 /nfs/dbraw/zinc/69/78/18/889697818.db2.gz LAURCDYBYJXRIQ-ZWKOTPCHSA-N 1 1 396.491 3.819 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000795106404 890273533 /nfs/dbraw/zinc/27/35/33/890273533.db2.gz JXHKTJBWGUJIAC-PBHICJAKSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000795106404 890273549 /nfs/dbraw/zinc/27/35/49/890273549.db2.gz JXHKTJBWGUJIAC-PBHICJAKSA-N 1 1 379.432 3.565 20 5 GHBDMO COc1ccccc1CC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000533401598 890421017 /nfs/dbraw/zinc/42/10/17/890421017.db2.gz ZVRGTRVRDCAEBT-UHFFFAOYSA-N 1 1 397.475 3.805 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000533431183 890547406 /nfs/dbraw/zinc/54/74/06/890547406.db2.gz XTGRTPCUPUGLMM-DBVUQKKJSA-N 1 1 389.496 3.757 20 5 GHBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834369 891018343 /nfs/dbraw/zinc/01/83/43/891018343.db2.gz CJNGVJULQFASMO-MRXNPFEDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834369 891018355 /nfs/dbraw/zinc/01/83/55/891018355.db2.gz CJNGVJULQFASMO-MRXNPFEDSA-N 1 1 383.876 3.983 20 5 GHBDMO O=C(/C=C/SCc1ccco1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171630 891333098 /nfs/dbraw/zinc/33/30/98/891333098.db2.gz NXPNXSHMHDNJBM-JEJOPICUSA-N 1 1 388.445 3.752 20 5 GHBDMO O=C(/C=C/SCc1ccco1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171630 891333115 /nfs/dbraw/zinc/33/31/15/891333115.db2.gz NXPNXSHMHDNJBM-JEJOPICUSA-N 1 1 388.445 3.752 20 5 GHBDMO CCC[C@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccn1 ZINC000813172429 891333692 /nfs/dbraw/zinc/33/36/92/891333692.db2.gz HSVQDIRQGSGPMQ-OALUTQOASA-N 1 1 383.448 3.691 20 5 GHBDMO CCC[C@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccn1 ZINC000813172429 891333709 /nfs/dbraw/zinc/33/37/09/891333709.db2.gz HSVQDIRQGSGPMQ-OALUTQOASA-N 1 1 383.448 3.691 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000497380704 891398425 /nfs/dbraw/zinc/39/84/25/891398425.db2.gz CCGRFFZIEJRUAG-MRXNPFEDSA-N 1 1 391.512 3.756 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000497380704 891398442 /nfs/dbraw/zinc/39/84/42/891398442.db2.gz CCGRFFZIEJRUAG-MRXNPFEDSA-N 1 1 391.512 3.756 20 5 GHBDMO Cc1c(CNc2ccc(OCCCN3CC[NH+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000873132807 891479614 /nfs/dbraw/zinc/47/96/14/891479614.db2.gz GSRZSWOQYKQRSB-UHFFFAOYSA-N 1 1 398.507 3.532 20 5 GHBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000497483110 891680226 /nfs/dbraw/zinc/68/02/26/891680226.db2.gz LZVNVMBJCWXWIT-KGLIPLIRSA-N 1 1 388.493 3.569 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001185098113 913636274 /nfs/dbraw/zinc/63/62/74/913636274.db2.gz JAFWEBCMMFSJTQ-LJQANCHMSA-N 1 1 383.496 3.849 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170688984 892447009 /nfs/dbraw/zinc/44/70/09/892447009.db2.gz YXOSYHQYQCSBLT-YOEHRIQHSA-N 1 1 379.420 3.892 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000533799237 893008206 /nfs/dbraw/zinc/00/82/06/893008206.db2.gz ZVBKMZLDXUMLRS-AWEZNQCLSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000533799237 893008226 /nfs/dbraw/zinc/00/82/26/893008226.db2.gz ZVBKMZLDXUMLRS-AWEZNQCLSA-N 1 1 397.258 3.700 20 5 GHBDMO CCOc1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000428679819 893217835 /nfs/dbraw/zinc/21/78/35/893217835.db2.gz KFLYRMXEUITTID-GOSISDBHSA-N 1 1 385.464 3.697 20 5 GHBDMO C[C@H](C[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)OC(C)(C)C ZINC000459817491 894230464 /nfs/dbraw/zinc/23/04/64/894230464.db2.gz XLIQWNSTPZBFHJ-CYBMUJFWSA-N 1 1 375.425 3.659 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)OC(C)(C)C ZINC000459817491 894230482 /nfs/dbraw/zinc/23/04/82/894230482.db2.gz XLIQWNSTPZBFHJ-CYBMUJFWSA-N 1 1 375.425 3.659 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCSC[C@@H]2C2CC2)o1 ZINC000878680406 894507180 /nfs/dbraw/zinc/50/71/80/894507180.db2.gz UGYXRHFJIJBFFX-CQSZACIVSA-N 1 1 380.857 3.626 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCSC[C@@H]2C2CC2)o1 ZINC000878680406 894507187 /nfs/dbraw/zinc/50/71/87/894507187.db2.gz UGYXRHFJIJBFFX-CQSZACIVSA-N 1 1 380.857 3.626 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000565122401 895402637 /nfs/dbraw/zinc/40/26/37/895402637.db2.gz NWTSNBNFYOIFJK-UHFFFAOYSA-N 1 1 389.253 3.908 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000565122401 895402641 /nfs/dbraw/zinc/40/26/41/895402641.db2.gz NWTSNBNFYOIFJK-UHFFFAOYSA-N 1 1 389.253 3.908 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000565122401 895402649 /nfs/dbraw/zinc/40/26/49/895402649.db2.gz NWTSNBNFYOIFJK-UHFFFAOYSA-N 1 1 389.253 3.908 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000565122401 895402651 /nfs/dbraw/zinc/40/26/51/895402651.db2.gz NWTSNBNFYOIFJK-UHFFFAOYSA-N 1 1 389.253 3.908 20 5 GHBDMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000565726541 895835271 /nfs/dbraw/zinc/83/52/71/895835271.db2.gz ZZPFPRYYFVVZGJ-RXVVDRJESA-N 1 1 397.500 3.691 20 5 GHBDMO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000774911130 914012537 /nfs/dbraw/zinc/01/25/37/914012537.db2.gz YSCVAMPMNNJYJH-MRXNPFEDSA-N 1 1 384.436 3.599 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001170880047 895927229 /nfs/dbraw/zinc/92/72/29/895927229.db2.gz AYVLQYCIPGNVSW-PBHICJAKSA-N 1 1 377.485 3.886 20 5 GHBDMO C[C@@H]1C[C@H]([NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CO1 ZINC000565950511 896004337 /nfs/dbraw/zinc/00/43/37/896004337.db2.gz GEQUWRWRQKIMOG-IAISJRAMSA-N 1 1 389.839 3.695 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881101404 896138521 /nfs/dbraw/zinc/13/85/21/896138521.db2.gz OONDGAJDNHSLAU-BTYIYWSLSA-N 1 1 377.448 3.963 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2csc(CCc3ccccc3)n2)c1 ZINC000819141515 896397377 /nfs/dbraw/zinc/39/73/77/896397377.db2.gz XHTBBHVXBRIIEV-LJQANCHMSA-N 1 1 383.473 3.660 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000567603141 897285866 /nfs/dbraw/zinc/28/58/66/897285866.db2.gz NFTONVANUXXWFG-BBWFWOEESA-N 1 1 391.515 3.778 20 5 GHBDMO C[C@H](NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000568638732 898000926 /nfs/dbraw/zinc/00/09/26/898000926.db2.gz GCNLGLNHXGLULQ-HRAATJIYSA-N 1 1 382.464 3.620 20 5 GHBDMO COc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1SC ZINC000103070145 898065130 /nfs/dbraw/zinc/06/51/30/898065130.db2.gz ZBIJUZSKQCGTOE-CQSZACIVSA-N 1 1 395.525 3.710 20 5 GHBDMO CC(C)[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000569171242 898388751 /nfs/dbraw/zinc/38/87/51/898388751.db2.gz NQVYEFFLOAWNMT-JTSKRJEESA-N 1 1 395.503 3.897 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)c1 ZINC000823254457 898921760 /nfs/dbraw/zinc/92/17/60/898921760.db2.gz XCMLBQLJMLGOCB-UHFFFAOYSA-N 1 1 377.391 3.563 20 5 GHBDMO CCc1oc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1C(=O)OC ZINC000570179498 899176808 /nfs/dbraw/zinc/17/68/08/899176808.db2.gz NNKUWVLLYRZKSD-UHFFFAOYSA-N 1 1 386.326 3.845 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cc1 ZINC000824821244 899827225 /nfs/dbraw/zinc/82/72/25/899827225.db2.gz WQYGMNNBZDVHTR-AWEZNQCLSA-N 1 1 386.364 3.791 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cc1 ZINC000824821244 899827229 /nfs/dbraw/zinc/82/72/29/899827229.db2.gz WQYGMNNBZDVHTR-AWEZNQCLSA-N 1 1 386.364 3.791 20 5 GHBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000303190285 914390829 /nfs/dbraw/zinc/39/08/29/914390829.db2.gz FKGIKXROHCDCTK-IAGOWNOFSA-N 1 1 391.512 3.899 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000572637344 900240600 /nfs/dbraw/zinc/24/06/00/900240600.db2.gz CSRLHXJYOOAMMP-UHFFFAOYSA-N 1 1 398.507 3.881 20 5 GHBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886043907 900688584 /nfs/dbraw/zinc/68/85/84/900688584.db2.gz MGJYYZGVUSGENA-UHFFFAOYSA-N 1 1 378.473 3.601 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)n2)cc1 ZINC000886615297 901192842 /nfs/dbraw/zinc/19/28/42/901192842.db2.gz CQGQVDADPSBBBN-LRDDRELGSA-N 1 1 382.342 3.809 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)n2)cc1 ZINC000886615297 901192847 /nfs/dbraw/zinc/19/28/47/901192847.db2.gz CQGQVDADPSBBBN-LRDDRELGSA-N 1 1 382.342 3.809 20 5 GHBDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000778942885 902044346 /nfs/dbraw/zinc/04/43/46/902044346.db2.gz SUJWQMZATLRDON-KRWDZBQOSA-N 1 1 377.485 3.512 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576544223 902087340 /nfs/dbraw/zinc/08/73/40/902087340.db2.gz DJOFIXKUHOYBFE-UHFFFAOYSA-N 1 1 398.463 3.560 20 5 GHBDMO Cc1c(Br)c(N2CC[N@@H+](C)C3(CCCCC3)C2)ncc1[N+](=O)[O-] ZINC001186500340 914593890 /nfs/dbraw/zinc/59/38/90/914593890.db2.gz TZIJLRYBGZCUBW-UHFFFAOYSA-N 1 1 383.290 3.515 20 5 GHBDMO Cc1c(Br)c(N2CC[N@H+](C)C3(CCCCC3)C2)ncc1[N+](=O)[O-] ZINC001186500340 914593900 /nfs/dbraw/zinc/59/39/00/914593900.db2.gz TZIJLRYBGZCUBW-UHFFFAOYSA-N 1 1 383.290 3.515 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cncn4)c(F)c3)C2)cc1 ZINC000577339628 902697181 /nfs/dbraw/zinc/69/71/81/902697181.db2.gz KDHCREYZMFFDAG-QGZVFWFLSA-N 1 1 381.411 3.694 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000577717442 903100226 /nfs/dbraw/zinc/10/02/26/903100226.db2.gz YIYIOODKHPZWQB-MAUKXSAKSA-N 1 1 398.463 3.778 20 5 GHBDMO COc1cccc(C(C)(C)C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000577943919 903374027 /nfs/dbraw/zinc/37/40/27/903374027.db2.gz JMEAFOJGQPQQIA-FQEVSTJZSA-N 1 1 394.475 3.994 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264953920 903504319 /nfs/dbraw/zinc/50/43/19/903504319.db2.gz WBIJCZFMIDCOBT-UHFFFAOYSA-N 1 1 385.302 3.629 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)C1CC[NH+](CC)CC1 ZINC001146786754 903603621 /nfs/dbraw/zinc/60/36/21/903603621.db2.gz NDCNBFKOSQUJGD-UHFFFAOYSA-N 1 1 392.503 3.627 20 5 GHBDMO COc1cnc(C(=O)Nc2cc3[nH+]c4cc(N(C)C)ccc4cc3cc2C)nc1 ZINC001147037229 903664154 /nfs/dbraw/zinc/66/41/54/903664154.db2.gz UOMGXKCRIHALNR-UHFFFAOYSA-N 1 1 387.443 3.813 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000151354748 904112549 /nfs/dbraw/zinc/11/25/49/904112549.db2.gz HXSHVZDPYMTEJI-UHFFFAOYSA-N 1 1 393.415 3.674 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1Cl ZINC000153354328 904354921 /nfs/dbraw/zinc/35/49/21/904354921.db2.gz BPBQPLKPTSPINM-HNNXBMFYSA-N 1 1 389.887 3.946 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1Cl ZINC000153354328 904354936 /nfs/dbraw/zinc/35/49/36/904354936.db2.gz BPBQPLKPTSPINM-HNNXBMFYSA-N 1 1 389.887 3.946 20 5 GHBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC[C@H]21 ZINC001171813605 905070191 /nfs/dbraw/zinc/07/01/91/905070191.db2.gz BLCPMOXFKNKPNV-OXJNMPFZSA-N 1 1 397.500 3.912 20 5 GHBDMO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801599720 921178125 /nfs/dbraw/zinc/17/81/25/921178125.db2.gz ANDVBPLQBYLHHT-QGZVFWFLSA-N 1 1 396.491 3.697 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913874 905984568 /nfs/dbraw/zinc/98/45/68/905984568.db2.gz VDQKHCHYUQMIPQ-DYESRHJHSA-N 1 1 393.487 3.689 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1C[C@@H]3CN(Cc4ccccc4)C[C@H]3C1)CC2 ZINC001172916509 905988082 /nfs/dbraw/zinc/98/80/82/905988082.db2.gz SPVSCNCHVVJUKE-RJGXRXQPSA-N 1 1 391.515 3.906 20 5 GHBDMO CC(=O)N1CCCC[C@@]12CCC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172911860 906019781 /nfs/dbraw/zinc/01/97/81/906019781.db2.gz WTQQSZXBBPGFCG-UNMCSNQZSA-N 1 1 385.508 3.709 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCCC(F)(F)[C@@H](F)C3)CC2)c(F)c1 ZINC001173009677 906084473 /nfs/dbraw/zinc/08/44/73/906084473.db2.gz HBDVDICDPAZBDA-HNNXBMFYSA-N 1 1 393.356 3.911 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@H](c4ccccn4)C3)CC2)c(F)c1 ZINC001173018358 906095094 /nfs/dbraw/zinc/09/50/94/906095094.db2.gz RYAHOOBOPOMOFW-AWEZNQCLSA-N 1 1 388.418 3.726 20 5 GHBDMO CCOC(=O)[C@]1(C)CCCC[N@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173180192 906258456 /nfs/dbraw/zinc/25/84/56/906258456.db2.gz JFWOCNUTBBHCFF-VBKZILBWSA-N 1 1 396.459 3.729 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H]2COCc2ccccc2)c1F ZINC001173187609 906267491 /nfs/dbraw/zinc/26/74/91/906267491.db2.gz ATQDZAMAVTYFTJ-RDJZCZTQSA-N 1 1 388.439 3.965 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H]2COCc2ccccc2)c1F ZINC001173187609 906267503 /nfs/dbraw/zinc/26/75/03/906267503.db2.gz ATQDZAMAVTYFTJ-RDJZCZTQSA-N 1 1 388.439 3.965 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1F ZINC001173187592 906268094 /nfs/dbraw/zinc/26/80/94/906268094.db2.gz ANZHTEHGDQOHRK-CJNGLKHVSA-N 1 1 392.402 3.966 20 5 GHBDMO COc1ccc(CC[N@@H+](C)[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc1 ZINC001173194799 906279048 /nfs/dbraw/zinc/27/90/48/906279048.db2.gz AHBQMLINWJACKA-AWEZNQCLSA-N 1 1 376.428 3.857 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCOC[C@H]2C2CCCCC2)c1F ZINC001173194007 906279883 /nfs/dbraw/zinc/27/98/83/906279883.db2.gz WJDVCGFMMCMZKN-KDOFPFPSSA-N 1 1 380.460 3.955 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCOC[C@H]2C2CCCCC2)c1F ZINC001173194007 906279894 /nfs/dbraw/zinc/27/98/94/906279894.db2.gz WJDVCGFMMCMZKN-KDOFPFPSSA-N 1 1 380.460 3.955 20 5 GHBDMO CCn1ncc2c1C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C[C@H]2COCC1CC1 ZINC001173221862 906298963 /nfs/dbraw/zinc/29/89/63/906298963.db2.gz MUJPJETZJDSXNA-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO CCn1ncc2c1C[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C[C@H]2COCC1CC1 ZINC001173221862 906298981 /nfs/dbraw/zinc/29/89/81/906298981.db2.gz MUJPJETZJDSXNA-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001173223067 906301912 /nfs/dbraw/zinc/30/19/12/906301912.db2.gz XASKWRJHZYDQGS-JLSDUUJJSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001173223156 906303899 /nfs/dbraw/zinc/30/38/99/906303899.db2.gz YSGIEZMGGVNXDY-HNNXBMFYSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001173223156 906303913 /nfs/dbraw/zinc/30/39/13/906303913.db2.gz YSGIEZMGGVNXDY-HNNXBMFYSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001173223160 906304112 /nfs/dbraw/zinc/30/41/12/906304112.db2.gz YVBBLTRNBSKRTM-OAHLLOKOSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001173227284 906309055 /nfs/dbraw/zinc/30/90/55/906309055.db2.gz UMBPQOAZIUDTGX-KSFYIVLOSA-N 1 1 397.450 3.794 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ncc(Br)cc2C1 ZINC001173227307 906311376 /nfs/dbraw/zinc/31/13/76/906311376.db2.gz POAFSVZGCFSIQG-GFCCVEGCSA-N 1 1 376.254 3.742 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001173230719 906313963 /nfs/dbraw/zinc/31/39/63/906313963.db2.gz ZVGASETUJDARJD-JKSUJKDBSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001173231901 906317590 /nfs/dbraw/zinc/31/75/90/906317590.db2.gz DMBFADDWEGWIRG-CZAAIQMYSA-N 1 1 381.476 3.649 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001173232480 906317825 /nfs/dbraw/zinc/31/78/25/906317825.db2.gz BPBAGIVOZIXKDX-MAUKXSAKSA-N 1 1 397.450 3.785 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001173238969 906350259 /nfs/dbraw/zinc/35/02/59/906350259.db2.gz YVPQJSSDKWMHBN-BEFAXECRSA-N 1 1 380.448 3.648 20 5 GHBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179768760 906590473 /nfs/dbraw/zinc/59/04/73/906590473.db2.gz LBIONAZUDPKQDD-GFCCVEGCSA-N 1 1 380.404 3.935 20 5 GHBDMO COc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC000191878160 907301174 /nfs/dbraw/zinc/30/11/74/907301174.db2.gz LTGBQFXNVUAXHK-KRWDZBQOSA-N 1 1 381.432 3.537 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)O1 ZINC001175678434 907688629 /nfs/dbraw/zinc/68/86/29/907688629.db2.gz QIUYPWBQWVDDCR-HTAPYJJXSA-N 1 1 399.466 3.599 20 5 GHBDMO CC(C)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCN(C)C(=O)OC(C)(C)C ZINC001176321284 908054960 /nfs/dbraw/zinc/05/49/60/908054960.db2.gz ASQSDMIXCMPQFF-UHFFFAOYSA-N 1 1 395.500 3.941 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)ccc1Br ZINC000777438081 908128266 /nfs/dbraw/zinc/12/82/66/908128266.db2.gz LAMFDWRWCSZALT-QGZVFWFLSA-N 1 1 395.228 3.590 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)ccc1Br ZINC000777438081 908128279 /nfs/dbraw/zinc/12/82/79/908128279.db2.gz LAMFDWRWCSZALT-QGZVFWFLSA-N 1 1 395.228 3.590 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@](O)(c4ccc(F)cc4)C3)cs2)c1 ZINC000777440118 908162376 /nfs/dbraw/zinc/16/23/76/908162376.db2.gz UKJXHZQGCGKIJG-FQEVSTJZSA-N 1 1 399.447 3.951 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@](O)(c4ccc(F)cc4)C3)cs2)c1 ZINC000777440118 908162381 /nfs/dbraw/zinc/16/23/81/908162381.db2.gz UKJXHZQGCGKIJG-FQEVSTJZSA-N 1 1 399.447 3.951 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@]3(CO)c3ccccc3)co2)cc1 ZINC001176959721 908328819 /nfs/dbraw/zinc/32/88/19/908328819.db2.gz OLOQQPZQPTYJIK-OAQYLSRUSA-N 1 1 379.416 3.733 20 5 GHBDMO CC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176959700 908328945 /nfs/dbraw/zinc/32/89/45/908328945.db2.gz OFYCSPOCZNZAIF-DYVFJYSZSA-N 1 1 375.494 3.732 20 5 GHBDMO CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176959700 908328957 /nfs/dbraw/zinc/32/89/57/908328957.db2.gz OFYCSPOCZNZAIF-DYVFJYSZSA-N 1 1 375.494 3.732 20 5 GHBDMO O=C(CC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000773665765 908563520 /nfs/dbraw/zinc/56/35/20/908563520.db2.gz ZYEUNTLFKPSWPZ-UHFFFAOYSA-N 1 1 386.839 3.761 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000194228824 908869287 /nfs/dbraw/zinc/86/92/87/908869287.db2.gz JIYPRMAKWXMLCO-IEBWSBKVSA-N 1 1 396.491 3.786 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)CCc1cnoc1 ZINC001178405427 909045739 /nfs/dbraw/zinc/04/57/39/909045739.db2.gz KFQBSWJLRRZJTE-UHFFFAOYSA-N 1 1 376.416 3.516 20 5 GHBDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865386 909053997 /nfs/dbraw/zinc/05/39/97/909053997.db2.gz MEVSRIQLNVFXLB-AWEZNQCLSA-N 1 1 378.860 3.674 20 5 GHBDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865386 909054015 /nfs/dbraw/zinc/05/40/15/909054015.db2.gz MEVSRIQLNVFXLB-AWEZNQCLSA-N 1 1 378.860 3.674 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)nc1-c1ccncc1 ZINC000779889955 909062908 /nfs/dbraw/zinc/06/29/08/909062908.db2.gz RZSCENZPFUZYAE-OLHLWXQYSA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)nc1-c1ccncc1 ZINC000779889955 909062930 /nfs/dbraw/zinc/06/29/30/909062930.db2.gz RZSCENZPFUZYAE-OLHLWXQYSA-N 1 1 375.432 3.989 20 5 GHBDMO CCn1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC001179937069 909813838 /nfs/dbraw/zinc/81/38/38/909813838.db2.gz JMADXUQHLUKCHF-GOSISDBHSA-N 1 1 392.463 3.560 20 5 GHBDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795397973 910196888 /nfs/dbraw/zinc/19/68/88/910196888.db2.gz SSFJRYWYEQYMTL-DJJJIMSYSA-N 1 1 393.846 3.631 20 5 GHBDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795397973 910196899 /nfs/dbraw/zinc/19/68/99/910196899.db2.gz SSFJRYWYEQYMTL-DJJJIMSYSA-N 1 1 393.846 3.631 20 5 GHBDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000795398594 910202093 /nfs/dbraw/zinc/20/20/93/910202093.db2.gz XICJBJJROKNQRW-YJYMSZOUSA-N 1 1 393.846 3.631 20 5 GHBDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000795398594 910202108 /nfs/dbraw/zinc/20/21/08/910202108.db2.gz XICJBJJROKNQRW-YJYMSZOUSA-N 1 1 393.846 3.631 20 5 GHBDMO CC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)C(F)(F)F ZINC000270969192 910744079 /nfs/dbraw/zinc/74/40/79/910744079.db2.gz IZHUKAHXSHDQMQ-QWHCGFSZSA-N 1 1 375.372 3.510 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H]1COC(=O)[C@@H]1C ZINC001182080577 911176203 /nfs/dbraw/zinc/17/62/03/911176203.db2.gz AMUOOAPIXOLUGL-DYVFJYSZSA-N 1 1 377.444 3.510 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000718015178 911799686 /nfs/dbraw/zinc/79/96/86/911799686.db2.gz FIOAHDVFVOSIRR-IBGZPJMESA-N 1 1 387.867 3.889 20 5 GHBDMO Cc1ccc2c(=O)c3cccc(CC(=O)N4C[C@H](C)[N@@H+](C)C[C@H]4C)c3oc2c1C ZINC001182508788 911818301 /nfs/dbraw/zinc/81/83/01/911818301.db2.gz SURWFXNQBHOHEW-JKSUJKDBSA-N 1 1 392.499 3.657 20 5 GHBDMO Cc1ccc2c(=O)c3cccc(CC(=O)N4C[C@H](C)[N@H+](C)C[C@H]4C)c3oc2c1C ZINC001182508788 911818349 /nfs/dbraw/zinc/81/83/49/911818349.db2.gz SURWFXNQBHOHEW-JKSUJKDBSA-N 1 1 392.499 3.657 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000248438183 912097956 /nfs/dbraw/zinc/09/79/56/912097956.db2.gz BTRRZLVHFLROCP-WMLDXEAASA-N 1 1 387.411 3.523 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000248438183 912097969 /nfs/dbraw/zinc/09/79/69/912097969.db2.gz BTRRZLVHFLROCP-WMLDXEAASA-N 1 1 387.411 3.523 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001187362600 915196917 /nfs/dbraw/zinc/19/69/17/915196917.db2.gz ZWMKARSXXAUYMU-KRWDZBQOSA-N 1 1 375.856 3.870 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001187362600 915196921 /nfs/dbraw/zinc/19/69/21/915196921.db2.gz ZWMKARSXXAUYMU-KRWDZBQOSA-N 1 1 375.856 3.870 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1 ZINC001187542238 915340589 /nfs/dbraw/zinc/34/05/89/915340589.db2.gz QEDQWRPGKDSDII-UHFFFAOYSA-N 1 1 395.463 3.564 20 5 GHBDMO O=C(CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1)N1CCCC1 ZINC000293320838 916124737 /nfs/dbraw/zinc/12/47/37/916124737.db2.gz CIAFOUFYXJKTST-UHFFFAOYSA-N 1 1 399.413 3.838 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293506481 916236510 /nfs/dbraw/zinc/23/65/10/916236510.db2.gz XQOFXGYEGPPOSX-ZDUSSCGKSA-N 1 1 387.402 3.711 20 5 GHBDMO C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000295674902 917415987 /nfs/dbraw/zinc/41/59/87/917415987.db2.gz KXAUUPGUNXUJLP-OLZOCXBDSA-N 1 1 399.413 3.996 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)OCc1ccccc1 ZINC000796459332 917519610 /nfs/dbraw/zinc/51/96/10/917519610.db2.gz OLSZNWQAPAUMSQ-HXUWFJFHSA-N 1 1 397.475 3.776 20 5 GHBDMO COC[C@@H](C)[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000006840106 917718071 /nfs/dbraw/zinc/71/80/71/917718071.db2.gz RCHJVKGCSFNCLZ-PXAZEXFGSA-N 1 1 377.828 3.553 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000364098332 919144899 /nfs/dbraw/zinc/14/48/99/919144899.db2.gz FAJDGBOBDFMFBI-DIFFPNOSSA-N 1 1 395.431 3.747 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1Cl ZINC000117333718 919538410 /nfs/dbraw/zinc/53/84/10/919538410.db2.gz QEVBARRFLHZQCI-UHFFFAOYSA-N 1 1 375.812 3.678 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000364923594 920203450 /nfs/dbraw/zinc/20/34/50/920203450.db2.gz YCZOHIQEHABTAX-UHFFFAOYSA-N 1 1 377.510 3.796 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000801044115 920727928 /nfs/dbraw/zinc/72/79/28/920727928.db2.gz MZVJCMDMEXUQFQ-IBGZPJMESA-N 1 1 385.439 3.764 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000801044675 920729338 /nfs/dbraw/zinc/72/93/38/920729338.db2.gz BWOWWVFDQMFTJH-LJQANCHMSA-N 1 1 385.439 3.764 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCN(c2cnccn2)CC1 ZINC000369298548 923258990 /nfs/dbraw/zinc/25/89/90/923258990.db2.gz MMXUBNFWUYWDPT-UHFFFAOYSA-N 1 1 393.447 3.746 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCc3cn(CCOC)nc32)cc1[N+](=O)[O-] ZINC000369462845 923353477 /nfs/dbraw/zinc/35/34/77/923353477.db2.gz KNNXQHGIBHRTCX-YOEHRIQHSA-N 1 1 388.468 3.565 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@H](O)c3ccccc3)o2)cc1 ZINC000369827943 923651345 /nfs/dbraw/zinc/65/13/45/923651345.db2.gz BHQJRMCAGHDUCD-UYAOXDASSA-N 1 1 394.431 3.733 20 5 GHBDMO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000748529872 923704717 /nfs/dbraw/zinc/70/47/17/923704717.db2.gz CBFGUVFCRDIERN-HNNXBMFYSA-N 1 1 383.452 3.578 20 5 GHBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000410056384 925279955 /nfs/dbraw/zinc/27/99/55/925279955.db2.gz YDNCXOBDHXQQCN-HXUWFJFHSA-N 1 1 381.476 3.798 20 5 GHBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)NCc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000410133912 925342447 /nfs/dbraw/zinc/34/24/47/925342447.db2.gz FJBBDNHBZSYULM-UHFFFAOYSA-N 1 1 396.491 3.746 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000411136053 926103517 /nfs/dbraw/zinc/10/35/17/926103517.db2.gz RZMAWEVGIUCDGN-LBPRGKRZSA-N 1 1 393.390 3.903 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c2c(c1)COCO2 ZINC000726972390 926966036 /nfs/dbraw/zinc/96/60/36/926966036.db2.gz AOHFQDMBXVSYQD-UXHICEINSA-N 1 1 384.432 3.549 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750095890 927432215 /nfs/dbraw/zinc/43/22/15/927432215.db2.gz LXJADOUIMNXEMN-SFHVURJKSA-N 1 1 391.855 3.632 20 5 GHBDMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750095890 927432223 /nfs/dbraw/zinc/43/22/23/927432223.db2.gz LXJADOUIMNXEMN-SFHVURJKSA-N 1 1 391.855 3.632 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1Br ZINC000467021615 928599944 /nfs/dbraw/zinc/59/99/44/928599944.db2.gz KJQOLMAMMXWVBT-UHFFFAOYSA-N 1 1 392.253 3.600 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1Br ZINC000467027749 928613013 /nfs/dbraw/zinc/61/30/13/928613013.db2.gz BGGZJQUZHBOPKU-UHFFFAOYSA-N 1 1 396.216 3.810 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544045778 928730078 /nfs/dbraw/zinc/73/00/78/928730078.db2.gz LFZNLWNJUGKUQX-GOSISDBHSA-N 1 1 399.516 3.667 20 5 GHBDMO C[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)[C@@H]1CCCc2ccccc21 ZINC000752786618 929022302 /nfs/dbraw/zinc/02/23/02/929022302.db2.gz QGTHUEHCPMCNQM-GOSISDBHSA-N 1 1 380.448 3.804 20 5 GHBDMO C[N@@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)[C@@H]1CCCc2ccccc21 ZINC000752786618 929022316 /nfs/dbraw/zinc/02/23/16/929022316.db2.gz QGTHUEHCPMCNQM-GOSISDBHSA-N 1 1 380.448 3.804 20 5 GHBDMO O=C1N(C[N@@H+]2CCSC3(CCCCC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752794121 929025761 /nfs/dbraw/zinc/02/57/61/929025761.db2.gz VLZPHNBJOGOGNO-UHFFFAOYSA-N 1 1 390.509 3.546 20 5 GHBDMO O=C1N(C[N@H+]2CCSC3(CCCCC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752794121 929025768 /nfs/dbraw/zinc/02/57/68/929025768.db2.gz VLZPHNBJOGOGNO-UHFFFAOYSA-N 1 1 390.509 3.546 20 5 GHBDMO CCOC(=O)CC[C@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000752799225 929027150 /nfs/dbraw/zinc/02/71/50/929027150.db2.gz XNOHCYJYUODHJL-CYBMUJFWSA-N 1 1 393.465 3.885 20 5 GHBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000752799225 929027167 /nfs/dbraw/zinc/02/71/67/929027167.db2.gz XNOHCYJYUODHJL-CYBMUJFWSA-N 1 1 393.465 3.885 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@H+]1Cc1ccccc1 ZINC000467698000 929312811 /nfs/dbraw/zinc/31/28/11/929312811.db2.gz ODQWLRKRHNWJOB-YOEHRIQHSA-N 1 1 379.416 3.734 20 5 GHBDMO O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000546241554 929986016 /nfs/dbraw/zinc/98/60/16/929986016.db2.gz BOTDKPYINHZMMX-GOSISDBHSA-N 1 1 378.432 3.948 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC000758508240 930065022 /nfs/dbraw/zinc/06/50/22/930065022.db2.gz MVHARTLUIUDRRA-MRXNPFEDSA-N 1 1 385.439 3.779 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000546591326 930281751 /nfs/dbraw/zinc/28/17/51/930281751.db2.gz FWEOPSJUCDKBLL-UHFFFAOYSA-N 1 1 385.855 3.837 20 5 GHBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000470707835 930841824 /nfs/dbraw/zinc/84/18/24/930841824.db2.gz PHKBWPHCFCUNJD-UHFFFAOYSA-N 1 1 377.282 3.505 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781810825 930990888 /nfs/dbraw/zinc/99/08/88/930990888.db2.gz YLUJQOYOYIITPS-HNNXBMFYSA-N 1 1 392.358 3.628 20 5 GHBDMO Cc1cc(C)c(OC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c([N+](=O)[O-])c1 ZINC000781986967 931052814 /nfs/dbraw/zinc/05/28/14/931052814.db2.gz GHCSSJSSCOFJFP-UHFFFAOYSA-N 1 1 388.330 3.949 20 5 GHBDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782499165 931243075 /nfs/dbraw/zinc/24/30/75/931243075.db2.gz LYRFIHKNJHUBMU-LBPRGKRZSA-N 1 1 375.375 3.821 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000557630268 931584099 /nfs/dbraw/zinc/58/40/99/931584099.db2.gz HZXHQJQAWKAYJE-OAHLLOKOSA-N 1 1 383.477 3.558 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1Cl ZINC000783678082 931614982 /nfs/dbraw/zinc/61/49/82/931614982.db2.gz BXEFXRKSMPWKLE-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000783920377 931717030 /nfs/dbraw/zinc/71/70/30/931717030.db2.gz KNQKCLSNGFAFET-OAHLLOKOSA-N 1 1 385.489 3.960 20 5 GHBDMO COc1cc(C[NH+]2CCC3(CCO3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000558636297 932130508 /nfs/dbraw/zinc/13/05/08/932130508.db2.gz GPMIDTQKRVSJFJ-UHFFFAOYSA-N 1 1 398.459 3.937 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000797518358 932318437 /nfs/dbraw/zinc/31/84/37/932318437.db2.gz CWYIUJSAIHQDBF-UHFFFAOYSA-N 1 1 381.473 3.586 20 5 GHBDMO C[C@]1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000798401286 932632905 /nfs/dbraw/zinc/63/29/05/932632905.db2.gz YOYARNJSRJTQDC-OAQYLSRUSA-N 1 1 393.447 3.568 20 5 GHBDMO C[C@]1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+](Cc2ccccc2)C1 ZINC000799015258 932853213 /nfs/dbraw/zinc/85/32/13/932853213.db2.gz UYPDQBCCAYIURX-JOCHJYFZSA-N 1 1 392.459 3.718 20 5 GHBDMO Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000799187155 932906031 /nfs/dbraw/zinc/90/60/31/932906031.db2.gz NOISNDLUZJSVQH-UHFFFAOYSA-N 1 1 392.799 3.779 20 5 GHBDMO Cc1cc(NC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000799225626 932924222 /nfs/dbraw/zinc/92/42/22/932924222.db2.gz NHBJXWUGQWDPRP-OAQYLSRUSA-N 1 1 382.464 3.937 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799226666 932925244 /nfs/dbraw/zinc/92/52/44/932925244.db2.gz HFTUHNFRCNLXOQ-NRFANRHFSA-N 1 1 398.463 3.637 20 5 GHBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000799846155 933139558 /nfs/dbraw/zinc/13/95/58/933139558.db2.gz VAEFBJRZPGXLJH-OAHLLOKOSA-N 1 1 385.489 3.960 20 5 GHBDMO Cc1nn(C[NH+]2CCC(N3CCc4ccccc43)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000799943227 933182302 /nfs/dbraw/zinc/18/23/02/933182302.db2.gz RNOMWNFYZJRZOQ-UHFFFAOYSA-N 1 1 391.475 3.738 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)c([N+](=O)[O-])c1 ZINC001116340475 933493460 /nfs/dbraw/zinc/49/34/60/933493460.db2.gz SFBKYPJJJHBARS-VGOFRKELSA-N 1 1 395.459 3.943 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)c([N+](=O)[O-])c1 ZINC001116340475 933493463 /nfs/dbraw/zinc/49/34/63/933493463.db2.gz SFBKYPJJJHBARS-VGOFRKELSA-N 1 1 395.459 3.943 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116349396 933501130 /nfs/dbraw/zinc/50/11/30/933501130.db2.gz KPPXCLHGKMTUCT-CABCVRRESA-N 1 1 393.447 3.678 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116349396 933501137 /nfs/dbraw/zinc/50/11/37/933501137.db2.gz KPPXCLHGKMTUCT-CABCVRRESA-N 1 1 393.447 3.678 20 5 GHBDMO C[C@@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001116497317 933592064 /nfs/dbraw/zinc/59/20/64/933592064.db2.gz IHFDNNWCYQAZTD-AEFFLSMTSA-N 1 1 394.475 3.531 20 5 GHBDMO C[C@H]1C[C@@H](C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001117743927 934003074 /nfs/dbraw/zinc/00/30/74/934003074.db2.gz OLQZUMMHPCFXPV-GJZGRUSLSA-N 1 1 375.469 3.946 20 5 GHBDMO C[C@H]1C[C@@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001117743927 934003081 /nfs/dbraw/zinc/00/30/81/934003081.db2.gz OLQZUMMHPCFXPV-GJZGRUSLSA-N 1 1 375.469 3.946 20 5 GHBDMO C[C@@H]1C[C@@H](C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001117743926 934003469 /nfs/dbraw/zinc/00/34/69/934003469.db2.gz OLQZUMMHPCFXPV-CABCVRRESA-N 1 1 375.469 3.946 20 5 GHBDMO C[C@@H]1C[C@@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001117743926 934003477 /nfs/dbraw/zinc/00/34/77/934003477.db2.gz OLQZUMMHPCFXPV-CABCVRRESA-N 1 1 375.469 3.946 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)o1 ZINC000932196148 934847253 /nfs/dbraw/zinc/84/72/53/934847253.db2.gz KBDDYTRMOWFRDW-CYBMUJFWSA-N 1 1 385.449 3.556 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)o1 ZINC000932196148 934847258 /nfs/dbraw/zinc/84/72/58/934847258.db2.gz KBDDYTRMOWFRDW-CYBMUJFWSA-N 1 1 385.449 3.556 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000468742484 1015983138 /nfs/dbraw/zinc/98/31/38/1015983138.db2.gz BWXYHQIYUHHKHH-NIHHCSOHSA-N 1 1 394.475 3.560 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000469760919 1016616633 /nfs/dbraw/zinc/61/66/33/1016616633.db2.gz ORQITFLWOYZRIW-QZTJIDSGSA-N 1 1 383.492 3.720 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000470535656 1016815865 /nfs/dbraw/zinc/81/58/65/1016815865.db2.gz HBEQIFWMWMZRDR-LBPRGKRZSA-N 1 1 378.375 3.880 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000470535656 1016815874 /nfs/dbraw/zinc/81/58/74/1016815874.db2.gz HBEQIFWMWMZRDR-LBPRGKRZSA-N 1 1 378.375 3.880 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001226909302 1032189900 /nfs/dbraw/zinc/18/99/00/1032189900.db2.gz SACJLVCNZFZJNE-CQSZACIVSA-N 1 1 380.803 3.667 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1O[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001226909302 1032189916 /nfs/dbraw/zinc/18/99/16/1032189916.db2.gz SACJLVCNZFZJNE-CQSZACIVSA-N 1 1 380.803 3.667 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001227048268 1032252415 /nfs/dbraw/zinc/25/24/15/1032252415.db2.gz IOBQNLVMDBQESL-WSTZPKSXSA-N 1 1 396.443 3.671 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001227124909 1032279569 /nfs/dbraw/zinc/27/95/69/1032279569.db2.gz SIMYMISBZPQIIS-BEFAXECRSA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001227123330 1032280058 /nfs/dbraw/zinc/28/00/58/1032280058.db2.gz ARLGSWMALJENDV-XKGZKEIXSA-N 1 1 396.443 3.671 20 5 GHBDMO C[NH+](C)Cc1ccc(-c2noc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)n2)cc1 ZINC001212995422 1032290131 /nfs/dbraw/zinc/29/01/31/1032290131.db2.gz YWZPMAUOKXCLED-UHFFFAOYSA-N 1 1 390.403 3.764 20 5 GHBDMO CCOC(=O)c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001227297105 1032359667 /nfs/dbraw/zinc/35/96/67/1032359667.db2.gz LFJBHOBLVAXHAZ-GOSISDBHSA-N 1 1 384.432 3.815 20 5 GHBDMO CC1(Nc2cc([N+](=O)[O-])cc[n+]2[O-])C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001155305613 1032493828 /nfs/dbraw/zinc/49/38/28/1032493828.db2.gz KTHODIFNUWLBPS-UHFFFAOYSA-N 1 1 390.443 3.504 20 5 GHBDMO CC[N@@H+]1CCC[C@@H](Oc2c(O)cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001227701793 1032523233 /nfs/dbraw/zinc/52/32/33/1032523233.db2.gz JISUMWNIMZMFOH-QGZVFWFLSA-N 1 1 384.432 3.703 20 5 GHBDMO CC[N@H+]1CCC[C@@H](Oc2c(O)cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001227701793 1032523237 /nfs/dbraw/zinc/52/32/37/1032523237.db2.gz JISUMWNIMZMFOH-QGZVFWFLSA-N 1 1 384.432 3.703 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC001155727826 1032667003 /nfs/dbraw/zinc/66/70/03/1032667003.db2.gz WHNNZEBCGHDXCU-GOSISDBHSA-N 1 1 387.867 3.906 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000558181582 1017134640 /nfs/dbraw/zinc/13/46/40/1017134640.db2.gz KJDCEWKMPMYSPZ-IBGZPJMESA-N 1 1 378.831 3.814 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000558181582 1017134646 /nfs/dbraw/zinc/13/46/46/1017134646.db2.gz KJDCEWKMPMYSPZ-IBGZPJMESA-N 1 1 378.831 3.814 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560527780 1017652830 /nfs/dbraw/zinc/65/28/30/1017652830.db2.gz FEEGJDIRJGZIHL-PMACEKPBSA-N 1 1 385.512 3.662 20 5 GHBDMO C[C@]1(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCC[N@H+]1Cc1ccccc1 ZINC000778071695 1018125711 /nfs/dbraw/zinc/12/57/11/1018125711.db2.gz ZJULHZWWBVUXLF-HXUWFJFHSA-N 1 1 389.402 3.658 20 5 GHBDMO CCOc1cccc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000564502645 1019082994 /nfs/dbraw/zinc/08/29/94/1019082994.db2.gz DHHMOVDGIPLWEM-MRXNPFEDSA-N 1 1 385.464 3.826 20 5 GHBDMO CCOc1cccc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000564502645 1019083004 /nfs/dbraw/zinc/08/30/04/1019083004.db2.gz DHHMOVDGIPLWEM-MRXNPFEDSA-N 1 1 385.464 3.826 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000156843553 1019745696 /nfs/dbraw/zinc/74/56/96/1019745696.db2.gz FPYIETJWANXNLX-INIZCTEOSA-N 1 1 394.475 3.580 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000045622694 1019813311 /nfs/dbraw/zinc/81/33/11/1019813311.db2.gz VQMUUXNJDYKLIP-KRWDZBQOSA-N 1 1 396.491 3.969 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001156317343 1032980592 /nfs/dbraw/zinc/98/05/92/1032980592.db2.gz LRIYNXMINOCYOF-NSISKUIASA-N 1 1 389.459 3.861 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000755066253 1023056791 /nfs/dbraw/zinc/05/67/91/1023056791.db2.gz PJURCXVOKCPGBR-GOEBONIOSA-N 1 1 393.484 3.871 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC001228806903 1033109918 /nfs/dbraw/zinc/10/99/18/1033109918.db2.gz RMAHTUKYOZTOBK-QAPCUYQASA-N 1 1 394.427 3.991 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cn(Cc4ccccc4)nn3)C2)cc1 ZINC000831538816 1024627122 /nfs/dbraw/zinc/62/71/22/1024627122.db2.gz JIWYTPLYMIIUHV-IBGZPJMESA-N 1 1 377.448 3.614 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cn(Cc4ccccc4)nn3)C2)cc1 ZINC000831538816 1024627124 /nfs/dbraw/zinc/62/71/24/1024627124.db2.gz JIWYTPLYMIIUHV-IBGZPJMESA-N 1 1 377.448 3.614 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000839092303 1025590137 /nfs/dbraw/zinc/59/01/37/1025590137.db2.gz QYNXKGCPOUKVPJ-GDBMZVCRSA-N 1 1 393.484 3.586 20 5 GHBDMO COCC[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832529702 1025657348 /nfs/dbraw/zinc/65/73/48/1025657348.db2.gz KORFGHMHTZTUJA-GOSISDBHSA-N 1 1 382.819 3.569 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001162267834 1025696983 /nfs/dbraw/zinc/69/69/83/1025696983.db2.gz WOLVFKXIYSUNIE-WBVHZDCISA-N 1 1 383.448 3.937 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001162442615 1025749550 /nfs/dbraw/zinc/74/95/50/1025749550.db2.gz LMCWTKIADAEUEE-UHFFFAOYSA-N 1 1 397.475 3.791 20 5 GHBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001141592374 1025769368 /nfs/dbraw/zinc/76/93/68/1025769368.db2.gz HTXAUNCHOXKXNZ-UHFFFAOYSA-N 1 1 393.487 3.581 20 5 GHBDMO CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001162791481 1025919008 /nfs/dbraw/zinc/91/90/08/1025919008.db2.gz DMZCUMCYQIFRNC-INIZCTEOSA-N 1 1 377.391 3.907 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC001141633188 1025968655 /nfs/dbraw/zinc/96/86/55/1025968655.db2.gz NAINSUHSNHHZLR-HNNXBMFYSA-N 1 1 385.439 3.896 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1n1ccnc1 ZINC000839524971 1026010127 /nfs/dbraw/zinc/01/01/27/1026010127.db2.gz OBLHWZQVUAWZSR-SWLSCSKDSA-N 1 1 379.258 3.637 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1n1ccnc1 ZINC000839524971 1026010143 /nfs/dbraw/zinc/01/01/43/1026010143.db2.gz OBLHWZQVUAWZSR-SWLSCSKDSA-N 1 1 379.258 3.637 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000839640401 1026147326 /nfs/dbraw/zinc/14/73/26/1026147326.db2.gz KWLPMCIKABRSIK-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Cl ZINC000839662030 1026180667 /nfs/dbraw/zinc/18/06/67/1026180667.db2.gz UIQZVJKFDAXFKL-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO C[N@H+]1CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)[C@@H](c2ccccc2)C1 ZINC001163675020 1026278554 /nfs/dbraw/zinc/27/85/54/1026278554.db2.gz WTUCHXAKAAMBMO-HXUWFJFHSA-N 1 1 393.422 3.684 20 5 GHBDMO CC(=O)Nc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1[N+](=O)[O-] ZINC001164491793 1026529219 /nfs/dbraw/zinc/52/92/19/1026529219.db2.gz GIQUPAHLUAAKKN-YSIASYRMSA-N 1 1 394.475 3.876 20 5 GHBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC([N@H+]3CCc4ccccc4C3)CC2)n1 ZINC001165148994 1026633827 /nfs/dbraw/zinc/63/38/27/1026633827.db2.gz DKZFNWYZMNUJGZ-UHFFFAOYSA-N 1 1 386.883 3.979 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001166816525 1027093479 /nfs/dbraw/zinc/09/34/79/1027093479.db2.gz ZRJYWFVFUBMPRF-HXUWFJFHSA-N 1 1 399.466 3.645 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000840218265 1027353730 /nfs/dbraw/zinc/35/37/30/1027353730.db2.gz CYANNFSVIMRHPM-AWEZNQCLSA-N 1 1 375.450 3.750 20 5 GHBDMO COc1ccc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232302 1069454587 /nfs/dbraw/zinc/45/45/87/1069454587.db2.gz OGMCGTIYQIBDJD-KXBFYZLASA-N 1 1 375.494 3.838 20 5 GHBDMO COc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232302 1069454591 /nfs/dbraw/zinc/45/45/91/1069454591.db2.gz OGMCGTIYQIBDJD-KXBFYZLASA-N 1 1 375.494 3.838 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1Nc1cc2c(ccn2C(=O)C[NH+](C)C)cc1OC ZINC001210448023 1027515222 /nfs/dbraw/zinc/51/52/22/1027515222.db2.gz QODMJCSSZBKVRE-UHFFFAOYSA-N 1 1 398.419 3.512 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000841024411 1028050689 /nfs/dbraw/zinc/05/06/89/1028050689.db2.gz STQYTYHKNZBRAB-ZJDLJICXSA-N 1 1 391.471 3.841 20 5 GHBDMO CC(C)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC001461432715 1069547079 /nfs/dbraw/zinc/54/70/79/1069547079.db2.gz RVGILWJEHRIAPD-FQEVSTJZSA-N 1 1 383.492 3.575 20 5 GHBDMO CC(C)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC001461432715 1069547083 /nfs/dbraw/zinc/54/70/83/1069547083.db2.gz RVGILWJEHRIAPD-FQEVSTJZSA-N 1 1 383.492 3.575 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC001216391044 1029624005 /nfs/dbraw/zinc/62/40/05/1029624005.db2.gz UYSDGFBXVXFDRG-RYUDHWBXSA-N 1 1 399.289 3.742 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222931587 1030355902 /nfs/dbraw/zinc/35/59/02/1030355902.db2.gz LHPLZMGEIKULOA-GOEBONIOSA-N 1 1 382.420 3.873 20 5 GHBDMO COC(=O)c1c(CO[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001223292930 1030512471 /nfs/dbraw/zinc/51/24/71/1030512471.db2.gz DLNBCLMHFLWWOD-UZLBHIALSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1ccc(CO[C@@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001223414961 1030566457 /nfs/dbraw/zinc/56/64/57/1030566457.db2.gz UFFPGHLJIOXDPA-CRAIPNDOSA-N 1 1 399.447 3.519 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@@H]2CC[NH2+]C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218036937 1030735390 /nfs/dbraw/zinc/73/53/90/1030735390.db2.gz SPCHZCXKXDEKLJ-CYBMUJFWSA-N 1 1 381.428 3.607 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001224094823 1030880856 /nfs/dbraw/zinc/88/08/56/1030880856.db2.gz GGVMIRPZYSVYRI-FOIQADDNSA-N 1 1 385.420 3.930 20 5 GHBDMO O=[N+]([O-])c1ccc(COC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cn1 ZINC001224109577 1030888787 /nfs/dbraw/zinc/88/87/87/1030888787.db2.gz ULKMJFOMIORNFP-UHFFFAOYSA-N 1 1 375.428 3.980 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001219318016 1031353873 /nfs/dbraw/zinc/35/38/73/1031353873.db2.gz OTHUPWDHHVHGCE-INIZCTEOSA-N 1 1 378.473 3.770 20 5 GHBDMO CCOc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001219317589 1031354458 /nfs/dbraw/zinc/35/44/58/1031354458.db2.gz GSVLSYGTWNIMAM-CRAIPNDOSA-N 1 1 398.463 3.778 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2c(Cl)nccc2[N+](=O)[O-])O1 ZINC001225435799 1031410919 /nfs/dbraw/zinc/41/09/19/1031410919.db2.gz VABZBQRGROAMGO-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2c(Cl)nccc2[N+](=O)[O-])O1 ZINC001225435799 1031410928 /nfs/dbraw/zinc/41/09/28/1031410928.db2.gz VABZBQRGROAMGO-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2cc(F)c(F)cc2[N+](=O)[O-])O1 ZINC001225776538 1031598559 /nfs/dbraw/zinc/59/85/59/1031598559.db2.gz SMIGLULKJNZDKX-OAHLLOKOSA-N 1 1 392.402 3.931 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2cc(F)c(F)cc2[N+](=O)[O-])O1 ZINC001225776538 1031598570 /nfs/dbraw/zinc/59/85/70/1031598570.db2.gz SMIGLULKJNZDKX-OAHLLOKOSA-N 1 1 392.402 3.931 20 5 GHBDMO CC[N@H+]1CC[C@@H](Oc2ccc3c(c2)occ(-c2ccc([N+](=O)[O-])cc2)c3=O)C1 ZINC001229267816 1033380582 /nfs/dbraw/zinc/38/05/82/1033380582.db2.gz TUMPVFPMWXGLBN-QGZVFWFLSA-N 1 1 380.400 3.841 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)n2ccc(C[NH2+]Cc3ccccc3)n2)nc1Cl ZINC001157609913 1033689770 /nfs/dbraw/zinc/68/97/70/1033689770.db2.gz VVLQZJISGNTNHE-UHFFFAOYSA-N 1 1 393.781 3.727 20 5 GHBDMO C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H](C[N+](=O)[O-])C2CC2)c1-3 ZINC001230129734 1033913286 /nfs/dbraw/zinc/91/32/86/1033913286.db2.gz OWUZRKHZYGLLIW-MJGOQNOKSA-N 1 1 380.444 3.578 20 5 GHBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3nccc4c5ccccc5ccc43)C[C@H]1[N@H+]2C ZINC001230203175 1033942877 /nfs/dbraw/zinc/94/28/77/1033942877.db2.gz JFXOAWQTFRXPTL-QPAOKJHLSA-N 1 1 376.456 3.934 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001230315501 1033992166 /nfs/dbraw/zinc/99/21/66/1033992166.db2.gz NMAKSNWEIGYNIE-CQSZACIVSA-N 1 1 375.356 3.686 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001230315501 1033992170 /nfs/dbraw/zinc/99/21/70/1033992170.db2.gz NMAKSNWEIGYNIE-CQSZACIVSA-N 1 1 375.356 3.686 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001230316394 1033992225 /nfs/dbraw/zinc/99/22/25/1033992225.db2.gz WAKUEPIDMFFWIR-ZDUSSCGKSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001230316394 1033992230 /nfs/dbraw/zinc/99/22/30/1033992230.db2.gz WAKUEPIDMFFWIR-ZDUSSCGKSA-N 1 1 377.784 3.810 20 5 GHBDMO CC[C@@H](NC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3)c1cccc([N+](=O)[O-])c1 ZINC001230515874 1034098407 /nfs/dbraw/zinc/09/84/07/1034098407.db2.gz XOXNLONVHBJFOT-NRSPTQNISA-N 1 1 386.496 3.563 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001207669601 1034518833 /nfs/dbraw/zinc/51/88/33/1034518833.db2.gz HSODIJZTZOWTSU-OTMARIDSSA-N 1 1 375.469 3.939 20 5 GHBDMO CCCC(=O)Nc1c(O[C@@H]2CC[N@H+]([C@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001231360961 1034535819 /nfs/dbraw/zinc/53/58/19/1034535819.db2.gz BOYKVFTWJDBPFO-HZPDHXFCSA-N 1 1 398.463 3.943 20 5 GHBDMO O=C1Nc2ccccc2[C@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@H]12 ZINC001232219120 1035168446 /nfs/dbraw/zinc/16/84/46/1035168446.db2.gz RUKXPUMIPZORDN-UXHICEINSA-N 1 1 380.451 3.951 20 5 GHBDMO CCOc1nc(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC001161180344 1035169503 /nfs/dbraw/zinc/16/95/03/1035169503.db2.gz DMKWYCAPKPTTPI-HNNXBMFYSA-N 1 1 376.844 3.728 20 5 GHBDMO COc1cc(N2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)ccn1 ZINC001232225366 1035171186 /nfs/dbraw/zinc/17/11/86/1035171186.db2.gz BQMYTKNOSDNGAF-UHFFFAOYSA-N 1 1 385.471 3.509 20 5 GHBDMO COCCN1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2cccnc21 ZINC001232223492 1035171399 /nfs/dbraw/zinc/17/13/99/1035171399.db2.gz ZZTMLJZLYQJNJC-UHFFFAOYSA-N 1 1 399.498 3.647 20 5 GHBDMO COCCN1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2cccnc21 ZINC001232223492 1035171404 /nfs/dbraw/zinc/17/14/04/1035171404.db2.gz ZZTMLJZLYQJNJC-UHFFFAOYSA-N 1 1 399.498 3.647 20 5 GHBDMO O=[N+]([O-])c1cc(-c2ccc(N[C@H]3CC[N@@H+](CC4CCCC4)C3)nn2)ccc1F ZINC001161187682 1035171634 /nfs/dbraw/zinc/17/16/34/1035171634.db2.gz RURZCSXUQFKZNJ-INIZCTEOSA-N 1 1 385.443 3.867 20 5 GHBDMO Cc1ccc2cccc(-c3noc([C@H]([NH3+])Cc4cccc([N+](=O)[O-])c4)n3)c2n1 ZINC001248207211 1035637701 /nfs/dbraw/zinc/63/77/01/1035637701.db2.gz BFSMZVBQNGZRQP-QGZVFWFLSA-N 1 1 375.388 3.744 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001247666389 1038302399 /nfs/dbraw/zinc/30/23/99/1038302399.db2.gz NNWNHJDRYYSZJZ-ZDUSSCGKSA-N 1 1 378.310 3.906 20 5 GHBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001248067475 1038564689 /nfs/dbraw/zinc/56/46/89/1038564689.db2.gz KYXHRFWEVFOXHD-AWEZNQCLSA-N 1 1 383.383 3.559 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)cc1 ZINC001252794535 1039174150 /nfs/dbraw/zinc/17/41/50/1039174150.db2.gz VTRHAEPMAALTCQ-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)c1 ZINC001253173482 1039462357 /nfs/dbraw/zinc/46/23/57/1039462357.db2.gz OKYKGPJQDAQGHZ-SYYKKAFVSA-N 1 1 382.460 3.736 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(F)c3F)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001233768086 1039601719 /nfs/dbraw/zinc/60/17/19/1039601719.db2.gz CHBQOQZGSWDTRB-XCRHUMRWSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(F)c3F)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001233768086 1039601731 /nfs/dbraw/zinc/60/17/31/1039601731.db2.gz CHBQOQZGSWDTRB-XCRHUMRWSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001253434815 1039635779 /nfs/dbraw/zinc/63/57/79/1039635779.db2.gz QUDCJLMXTHWFIR-HNNXBMFYSA-N 1 1 393.447 3.679 20 5 GHBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c1)C2 ZINC001234535348 1040108569 /nfs/dbraw/zinc/10/85/69/1040108569.db2.gz GZSLWHHAXXBBNY-AGGWBTHJSA-N 1 1 377.441 3.946 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001254551504 1040318228 /nfs/dbraw/zinc/31/82/28/1040318228.db2.gz CHSRQDHIJACZRA-YWZLYKJASA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001254550461 1040319169 /nfs/dbraw/zinc/31/91/69/1040319169.db2.gz KBEINSJVCPAQEP-WMLDXEAASA-N 1 1 375.469 3.515 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001254558027 1040328426 /nfs/dbraw/zinc/32/84/26/1040328426.db2.gz SBFVDSSNJWSMAO-LQBOVUBWSA-N 1 1 397.475 3.623 20 5 GHBDMO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C3)CC2=O)cc1 ZINC001254561692 1040333449 /nfs/dbraw/zinc/33/34/49/1040333449.db2.gz IIUDYQHMMKFGQA-JPYJTQIMSA-N 1 1 393.487 3.963 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254561684 1040334778 /nfs/dbraw/zinc/33/47/78/1040334778.db2.gz IGPAFPVRUYZFJS-MRXNPFEDSA-N 1 1 389.496 3.859 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2nn(CC3CC3)cc21 ZINC001254563018 1040335629 /nfs/dbraw/zinc/33/56/29/1040335629.db2.gz WJHZAFZNDKUOHN-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2nn(CC3CC3)cc21 ZINC001254563018 1040335646 /nfs/dbraw/zinc/33/56/46/1040335646.db2.gz WJHZAFZNDKUOHN-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001254562381 1040336228 /nfs/dbraw/zinc/33/62/28/1040336228.db2.gz LIGBBRAKVGYOKK-CQSZACIVSA-N 1 1 394.397 3.762 20 5 GHBDMO O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254593829 1040365332 /nfs/dbraw/zinc/36/53/32/1040365332.db2.gz CAYPJDVVSKDSEQ-TZIWHRDSSA-N 1 1 397.500 3.643 20 5 GHBDMO CC(C)[N@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001254605729 1040376454 /nfs/dbraw/zinc/37/64/54/1040376454.db2.gz DBWBXRFZUNVUFT-RBUKOAKNSA-N 1 1 389.496 3.782 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606823 1040378406 /nfs/dbraw/zinc/37/84/06/1040378406.db2.gz HYFIOUMPMAUBEZ-JOCHJYFZSA-N 1 1 383.467 3.798 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606824 1040378757 /nfs/dbraw/zinc/37/87/57/1040378757.db2.gz HYFIOUMPMAUBEZ-QFIPXVFZSA-N 1 1 383.467 3.798 20 5 GHBDMO O=[N+]([O-])c1c(F)cc(F)cc1-c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255477327 1041078314 /nfs/dbraw/zinc/07/83/14/1041078314.db2.gz DJJYTQHULGGAFJ-CYBMUJFWSA-N 1 1 386.358 3.913 20 5 GHBDMO CCN(C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475161615 1041707550 /nfs/dbraw/zinc/70/75/50/1041707550.db2.gz HMCSPHHUCAEVPQ-PKOBYXMFSA-N 1 1 396.491 3.962 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001293349285 1044128540 /nfs/dbraw/zinc/12/85/40/1044128540.db2.gz GIDRVNRFZWUENH-KRWDZBQOSA-N 1 1 391.512 3.689 20 5 GHBDMO O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001294550518 1044698712 /nfs/dbraw/zinc/69/87/12/1044698712.db2.gz QUHHXRZLNUSMLY-FQEVSTJZSA-N 1 1 399.878 3.798 20 5 GHBDMO O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001294550518 1044698718 /nfs/dbraw/zinc/69/87/18/1044698718.db2.gz QUHHXRZLNUSMLY-FQEVSTJZSA-N 1 1 399.878 3.798 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)c1ccc([S@@](C)=O)cc1 ZINC001262239423 1046216957 /nfs/dbraw/zinc/21/69/57/1046216957.db2.gz YVBUPYRIHJKKOT-QVQLBTGDSA-N 1 1 397.294 3.946 20 5 GHBDMO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001303074019 1047270971 /nfs/dbraw/zinc/27/09/71/1047270971.db2.gz XXDDMCQGFVVFNH-VQIMIIECSA-N 1 1 398.511 3.572 20 5 GHBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@H]1C)[N@@H+](C)C1CC1 ZINC001305079236 1047880738 /nfs/dbraw/zinc/88/07/38/1047880738.db2.gz KUNAAYXTMOWNSM-BZUAXINKSA-N 1 1 398.511 3.571 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001287694377 1048891941 /nfs/dbraw/zinc/89/19/41/1048891941.db2.gz RVZUTLBXHFMNOA-CRAIPNDOSA-N 1 1 393.443 3.839 20 5 GHBDMO COC(=O)c1ccnc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC001306930290 1048965567 /nfs/dbraw/zinc/96/55/67/1048965567.db2.gz JWBOLIXKRYYJNY-HNNXBMFYSA-N 1 1 398.463 3.620 20 5 GHBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1cccc(Br)c1[N+](=O)[O-] ZINC001306995814 1048998048 /nfs/dbraw/zinc/99/80/48/1048998048.db2.gz IQEXNHZLZYREII-UHFFFAOYSA-N 1 1 393.241 3.641 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC001288586255 1049150702 /nfs/dbraw/zinc/15/07/02/1049150702.db2.gz XKFQUUONQKHSRV-UHFFFAOYSA-N 1 1 382.464 3.555 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC001307421788 1049260419 /nfs/dbraw/zinc/26/04/19/1049260419.db2.gz JVSNLUQTRAJEHY-SFHVURJKSA-N 1 1 375.469 3.977 20 5 GHBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C[C@]2(C)C1 ZINC001289376366 1049451533 /nfs/dbraw/zinc/45/15/33/1049451533.db2.gz CQTZMBNKZANQLU-VFNWGFHPSA-N 1 1 397.500 3.770 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1OC ZINC001307629911 1049462739 /nfs/dbraw/zinc/46/27/39/1049462739.db2.gz NGFVZHJEOMZVSF-JYJNAYRXSA-N 1 1 379.501 3.553 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC001307743966 1049556001 /nfs/dbraw/zinc/55/60/01/1049556001.db2.gz GHZXAMWPVQNHHC-INIZCTEOSA-N 1 1 398.381 3.789 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC001307804107 1049603120 /nfs/dbraw/zinc/60/31/20/1049603120.db2.gz ZDLYGVJDVRSVQA-RKVPGOIHSA-N 1 1 383.448 3.808 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307819470 1049614481 /nfs/dbraw/zinc/61/44/81/1049614481.db2.gz VKXJAEXSYOCTFF-HIFRSBDPSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307819470 1049614483 /nfs/dbraw/zinc/61/44/83/1049614483.db2.gz VKXJAEXSYOCTFF-HIFRSBDPSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307892659 1049670860 /nfs/dbraw/zinc/67/08/60/1049670860.db2.gz ATCOUKIGOUFYBB-RQXXJAGISA-N 1 1 383.492 3.612 20 5 GHBDMO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307892659 1049670864 /nfs/dbraw/zinc/67/08/64/1049670864.db2.gz ATCOUKIGOUFYBB-RQXXJAGISA-N 1 1 383.492 3.612 20 5 GHBDMO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307892659 1049670867 /nfs/dbraw/zinc/67/08/67/1049670867.db2.gz ATCOUKIGOUFYBB-RQXXJAGISA-N 1 1 383.492 3.612 20 5 GHBDMO CC(C)[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001307935685 1049708556 /nfs/dbraw/zinc/70/85/56/1049708556.db2.gz VRGWGDHJACUUIZ-OAQYLSRUSA-N 1 1 383.492 3.816 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001308055138 1049801836 /nfs/dbraw/zinc/80/18/36/1049801836.db2.gz OWQPFHBZGJBZQD-KRWDZBQOSA-N 1 1 387.411 3.524 20 5 GHBDMO C[NH2+][C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1Cl ZINC001329810176 1050907974 /nfs/dbraw/zinc/90/79/74/1050907974.db2.gz UOGVSMCKSQTFCX-KRWDZBQOSA-N 1 1 394.258 3.747 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001310261502 1051255593 /nfs/dbraw/zinc/25/55/93/1051255593.db2.gz JHDKEDINGAUHAI-CXAGYDPISA-N 1 1 388.855 3.890 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC001310508381 1051404016 /nfs/dbraw/zinc/40/40/16/1051404016.db2.gz FKWPOVKCOJMZOE-VXGBXAGGSA-N 1 1 399.289 3.599 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001311331578 1052025195 /nfs/dbraw/zinc/02/51/95/1052025195.db2.gz NLKGFIHUQDNBMW-ICSRJNTNSA-N 1 1 398.463 3.513 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001335103333 1052035039 /nfs/dbraw/zinc/03/50/39/1052035039.db2.gz VSJDJLNKLGAGDL-YCRPNKLZSA-N 1 1 394.431 3.689 20 5 GHBDMO CC[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001311691951 1052333414 /nfs/dbraw/zinc/33/34/14/1052333414.db2.gz BVFHZKQMUBUCFK-CRAIPNDOSA-N 1 1 376.501 3.856 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@]2(CCOC2)O1 ZINC001321079194 1056083825 /nfs/dbraw/zinc/08/38/25/1056083825.db2.gz HFSSWEHORVWEDD-DJJJIMSYSA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@]2(CCOC2)O1 ZINC001321079194 1056083831 /nfs/dbraw/zinc/08/38/31/1056083831.db2.gz HFSSWEHORVWEDD-DJJJIMSYSA-N 1 1 392.839 3.888 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(F)cc1 ZINC001323001854 1056905632 /nfs/dbraw/zinc/90/56/32/1056905632.db2.gz BBHNFHDKHVDGQX-LPHOPBHVSA-N 1 1 383.379 3.655 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(F)cc1 ZINC001323001854 1056905638 /nfs/dbraw/zinc/90/56/38/1056905638.db2.gz BBHNFHDKHVDGQX-LPHOPBHVSA-N 1 1 383.379 3.655 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC001354920013 1056983526 /nfs/dbraw/zinc/98/35/26/1056983526.db2.gz FETKLMLNIFMBMA-INIZCTEOSA-N 1 1 397.475 3.908 20 5 GHBDMO CCC[C@@H]([NH2+]Cc1ccccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001323991844 1057050858 /nfs/dbraw/zinc/05/08/58/1057050858.db2.gz NETVEQZQVLMJIE-OAQYLSRUSA-N 1 1 382.508 3.978 20 5 GHBDMO C[C@H](CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC001355308592 1057114038 /nfs/dbraw/zinc/11/40/38/1057114038.db2.gz BWJDXIUUYWYYMW-CZAAIQMYSA-N 1 1 381.476 3.725 20 5 GHBDMO C[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[N@H+]1CCC[C@H](C)C1 ZINC001441362152 1058765444 /nfs/dbraw/zinc/76/54/44/1058765444.db2.gz PXVWQMAWJMXHLT-VHSXEESVSA-N 1 1 392.258 3.891 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001442347078 1058950003 /nfs/dbraw/zinc/95/00/03/1058950003.db2.gz ZZDVWULYNPQEBQ-HZPDHXFCSA-N 1 1 382.464 3.507 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001442521085 1058971587 /nfs/dbraw/zinc/97/15/87/1058971587.db2.gz GGUNITOGZWNVFS-HNNXBMFYSA-N 1 1 387.402 3.998 20 5 GHBDMO Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[nH+]1 ZINC001443870645 1059220270 /nfs/dbraw/zinc/22/02/70/1059220270.db2.gz ANMSACBBKKNKBF-CYBMUJFWSA-N 1 1 392.818 3.807 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC001447434384 1059964446 /nfs/dbraw/zinc/96/44/46/1059964446.db2.gz SNEYCYSPASJGTF-GOSISDBHSA-N 1 1 382.464 3.941 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC001435307599 1062490921 /nfs/dbraw/zinc/49/09/21/1062490921.db2.gz IBKZEVUDYZSRDT-HXUWFJFHSA-N 1 1 396.491 3.570 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001456937128 1062923542 /nfs/dbraw/zinc/92/35/42/1062923542.db2.gz KJNVVSCACRCRBH-GOSISDBHSA-N 1 1 399.466 3.647 20 5 GHBDMO CC(C)Oc1nc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001458198270 1063649253 /nfs/dbraw/zinc/64/92/53/1063649253.db2.gz BSOZINCOIGXJDZ-KRWDZBQOSA-N 1 1 384.480 3.878 20 5 GHBDMO CC[N@@H+](CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC)CCC(F)(F)F ZINC001458317052 1063740000 /nfs/dbraw/zinc/74/00/00/1063740000.db2.gz ROYXUIDAUCOMIH-UHFFFAOYSA-N 1 1 397.781 3.721 20 5 GHBDMO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc[nH+]c(N(C)C)c3)cc2[N+](=O)[O-])C1 ZINC001458491908 1063844680 /nfs/dbraw/zinc/84/46/80/1063844680.db2.gz MHIWLMODWLLFSB-HUUCEWRRSA-N 1 1 397.479 3.790 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 ZINC001458612246 1063904761 /nfs/dbraw/zinc/90/47/61/1063904761.db2.gz WIRWADMAHUYQDU-SFHVURJKSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 ZINC001458612246 1063904765 /nfs/dbraw/zinc/90/47/65/1063904765.db2.gz WIRWADMAHUYQDU-SFHVURJKSA-N 1 1 392.459 3.764 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001438200149 1064005261 /nfs/dbraw/zinc/00/52/61/1064005261.db2.gz XBXWSVAXPWAEBX-HNNXBMFYSA-N 1 1 385.489 3.836 20 5 GHBDMO CC(C)[N@@H+](CCOc1ccc2cc(Br)ccc2c1)CC[N+](=O)[O-] ZINC001459585893 1064135493 /nfs/dbraw/zinc/13/54/93/1064135493.db2.gz GVSFUINDZNMZCJ-UHFFFAOYSA-N 1 1 381.270 3.968 20 5 GHBDMO C[C@@]1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001300206346 1065693608 /nfs/dbraw/zinc/69/36/08/1065693608.db2.gz HPBSGXAHCBBZFS-JOCHJYFZSA-N 1 1 396.491 3.568 20 5 GHBDMO C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1Cc1ccccc1 ZINC001465543600 1065702319 /nfs/dbraw/zinc/70/23/19/1065702319.db2.gz SRMRCWDOWLTRBK-MRXNPFEDSA-N 1 1 388.855 3.639 20 5 GHBDMO C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1Cc1ccccc1 ZINC001465543600 1065702330 /nfs/dbraw/zinc/70/23/30/1065702330.db2.gz SRMRCWDOWLTRBK-MRXNPFEDSA-N 1 1 388.855 3.639 20 5 GHBDMO CCc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001300433561 1066319725 /nfs/dbraw/zinc/31/97/25/1066319725.db2.gz CECVIMMOJRIWCI-FQEVSTJZSA-N 1 1 381.476 3.546 20 5 GHBDMO CCc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001300433563 1066319834 /nfs/dbraw/zinc/31/98/34/1066319834.db2.gz CECVIMMOJRIWCI-HXUWFJFHSA-N 1 1 381.476 3.546 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001468275949 1067664132 /nfs/dbraw/zinc/66/41/32/1067664132.db2.gz LOFKOEGZALYVBP-ZHALLVOQSA-N 1 1 396.491 3.833 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC001460085208 1068771069 /nfs/dbraw/zinc/77/10/69/1068771069.db2.gz GBCYIWVRHUNLFU-UHFFFAOYSA-N 1 1 397.519 3.726 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC001460085208 1068771079 /nfs/dbraw/zinc/77/10/79/1068771079.db2.gz GBCYIWVRHUNLFU-UHFFFAOYSA-N 1 1 397.519 3.726 20 5 GHBDMO COC[C@@H](C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC001460578066 1069005871 /nfs/dbraw/zinc/00/58/71/1069005871.db2.gz PEHGNRZDVULBQE-IIBYNOLFSA-N 1 1 397.475 3.948 20 5 GHBDMO Cc1c(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC001478428515 1078864686 /nfs/dbraw/zinc/86/46/86/1078864686.db2.gz AISLNBSSKHMFEC-UHFFFAOYSA-N 1 1 396.491 3.709 20 5 GHBDMO CC[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001472721151 1073635437 /nfs/dbraw/zinc/63/54/37/1073635437.db2.gz ZEAQKHUYXDMAPN-WMZOPIPTSA-N 1 1 390.871 3.735 20 5 GHBDMO CC[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001472721151 1073635443 /nfs/dbraw/zinc/63/54/43/1073635443.db2.gz ZEAQKHUYXDMAPN-WMZOPIPTSA-N 1 1 390.871 3.735 20 5 GHBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1Cc1ccccc1 ZINC001472780006 1073662259 /nfs/dbraw/zinc/66/22/59/1073662259.db2.gz OCZVSQWFNKKMNK-INIZCTEOSA-N 1 1 379.382 3.977 20 5 GHBDMO CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001473109601 1073784168 /nfs/dbraw/zinc/78/41/68/1073784168.db2.gz WEXYPTJQCUTTNJ-QGZVFWFLSA-N 1 1 378.856 3.899 20 5 GHBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC001473214183 1073865030 /nfs/dbraw/zinc/86/50/30/1073865030.db2.gz VKNNDYPVNCDPKO-QGZVFWFLSA-N 1 1 376.428 3.822 20 5 GHBDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001473237817 1073881254 /nfs/dbraw/zinc/88/12/54/1073881254.db2.gz NYTNNDXJDKNTKC-QZTJIDSGSA-N 1 1 377.485 3.757 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)cc1OC ZINC001473391345 1073947108 /nfs/dbraw/zinc/94/71/08/1073947108.db2.gz QMVJSWHFTMBGPI-BXTJHSDWSA-N 1 1 380.485 3.885 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)cc1OC ZINC001473391345 1073947110 /nfs/dbraw/zinc/94/71/10/1073947110.db2.gz QMVJSWHFTMBGPI-BXTJHSDWSA-N 1 1 380.485 3.885 20 5 GHBDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC001473400326 1073950272 /nfs/dbraw/zinc/95/02/72/1073950272.db2.gz PKROOAWTZVLSIE-AWEZNQCLSA-N 1 1 381.274 3.544 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001473453433 1073971483 /nfs/dbraw/zinc/97/14/83/1073971483.db2.gz ZEEAYJOPLQMMBN-GOSISDBHSA-N 1 1 391.468 3.627 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001473453433 1073971484 /nfs/dbraw/zinc/97/14/84/1073971484.db2.gz ZEEAYJOPLQMMBN-GOSISDBHSA-N 1 1 391.468 3.627 20 5 GHBDMO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001473493416 1073988109 /nfs/dbraw/zinc/98/81/09/1073988109.db2.gz BLFFAYSZUVYARU-OAHLLOKOSA-N 1 1 375.856 3.838 20 5 GHBDMO C[C@@H]1CN(Cc2ccc(C[N@H+](C)CCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC001473598171 1074039270 /nfs/dbraw/zinc/03/92/70/1074039270.db2.gz NGTQRXUSDQHAGO-KDURUIRLSA-N 1 1 397.519 3.879 20 5 GHBDMO C[C@@H]1CN(Cc2ccc(C[N@@H+](C)CCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC001473598171 1074039288 /nfs/dbraw/zinc/03/92/88/1074039288.db2.gz NGTQRXUSDQHAGO-KDURUIRLSA-N 1 1 397.519 3.879 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1F ZINC001473649303 1074066954 /nfs/dbraw/zinc/06/69/54/1074066954.db2.gz TYTKELYIUYPFDB-UHFFFAOYSA-N 1 1 389.427 3.983 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001473721307 1074106835 /nfs/dbraw/zinc/10/68/35/1074106835.db2.gz OGZKGMGSJRBVEZ-HNNXBMFYSA-N 1 1 393.447 3.679 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001473773637 1074135421 /nfs/dbraw/zinc/13/54/21/1074135421.db2.gz XEGUVPITEKVYEV-GJZGRUSLSA-N 1 1 385.468 3.648 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001473773637 1074135428 /nfs/dbraw/zinc/13/54/28/1074135428.db2.gz XEGUVPITEKVYEV-GJZGRUSLSA-N 1 1 385.468 3.648 20 5 GHBDMO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001473856090 1074177672 /nfs/dbraw/zinc/17/76/72/1074177672.db2.gz YKRDBXSISFYBMH-OAHLLOKOSA-N 1 1 387.411 3.593 20 5 GHBDMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001473856090 1074177677 /nfs/dbraw/zinc/17/76/77/1074177677.db2.gz YKRDBXSISFYBMH-OAHLLOKOSA-N 1 1 387.411 3.593 20 5 GHBDMO CCOc1cccc(N2CC[NH+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001474378300 1074373221 /nfs/dbraw/zinc/37/32/21/1074373221.db2.gz PFVBITDQACMIIY-SAPNQHFASA-N 1 1 382.464 3.614 20 5 GHBDMO COc1cccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000007493944 212074538 /nfs/dbraw/zinc/07/45/38/212074538.db2.gz NXSKFAFSAMGBSX-UHFFFAOYSA-N 1 1 395.381 3.944 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825976623 608521991 /nfs/dbraw/zinc/52/19/91/608521991.db2.gz NYPVCYRTBAAESQ-UHFFFAOYSA-N 1 1 390.403 3.667 20 5 GHBDMO Cc1c(C)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164996347 722202185 /nfs/dbraw/zinc/20/21/85/722202185.db2.gz UETKYEULQNRQJE-OAQYLSRUSA-N 1 1 384.455 3.991 20 5 GHBDMO C[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000581225585 837485278 /nfs/dbraw/zinc/48/52/78/837485278.db2.gz BVCAULSYDHRYJO-ZWOKBUDYSA-N 1 1 381.476 3.725 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176580453 837682900 /nfs/dbraw/zinc/68/29/00/837682900.db2.gz PTNGSUZHHQUTBG-HKUYNNGSSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@H](C)CCO ZINC000180990743 837767466 /nfs/dbraw/zinc/76/74/66/837767466.db2.gz QKTJBPUZYUJQBQ-QGZVFWFLSA-N 1 1 385.464 3.505 20 5 GHBDMO Cc1ccc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510081917 834992891 /nfs/dbraw/zinc/99/28/91/834992891.db2.gz CCOZLTXRMVKQLZ-HKUYNNGSSA-N 1 1 381.476 3.934 20 5 GHBDMO CNc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000610200143 835022134 /nfs/dbraw/zinc/02/21/34/835022134.db2.gz KXQOSPHOKABRHI-KBXCAEBGSA-N 1 1 388.493 3.511 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000544070451 835083289 /nfs/dbraw/zinc/08/32/89/835083289.db2.gz ZZHMQGSIHXQDFC-IRXDYDNUSA-N 1 1 376.840 3.825 20 5 GHBDMO O=C([C@@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)CC2)N1CCCCC1 ZINC000611795725 835253428 /nfs/dbraw/zinc/25/34/28/835253428.db2.gz AVBHWYLBCRCSQW-KRWDZBQOSA-N 1 1 391.899 3.863 20 5 GHBDMO COc1cc(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000510112457 835324289 /nfs/dbraw/zinc/32/42/89/835324289.db2.gz JZXRUDMKKCDYOY-AEFFLSMTSA-N 1 1 397.475 3.634 20 5 GHBDMO COc1cccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3OC)CCOCC2)c1F ZINC000430239686 835326081 /nfs/dbraw/zinc/32/60/81/835326081.db2.gz LAYSYSBETYVUMV-UHFFFAOYSA-N 1 1 390.411 3.547 20 5 GHBDMO CNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1 ZINC000102424949 835370991 /nfs/dbraw/zinc/37/09/91/835370991.db2.gz PKFAQANUYHSOKL-UHFFFAOYSA-N 1 1 395.415 3.513 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000612131573 835581557 /nfs/dbraw/zinc/58/15/57/835581557.db2.gz FDQMDMLQPVBYTD-NBHGPNQESA-N 1 1 397.450 3.764 20 5 GHBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000134547913 835799711 /nfs/dbraw/zinc/79/97/11/835799711.db2.gz CBPOIGYXFNTZBS-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000134547913 835799715 /nfs/dbraw/zinc/79/97/15/835799715.db2.gz CBPOIGYXFNTZBS-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000512541288 844103508 /nfs/dbraw/zinc/10/35/08/844103508.db2.gz DZIOUEJGFCYERM-MRXNPFEDSA-N 1 1 385.464 3.983 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000134875919 836160859 /nfs/dbraw/zinc/16/08/59/836160859.db2.gz JKUKQUDSRCPXHX-GDBMZVCRSA-N 1 1 385.489 3.710 20 5 GHBDMO CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000236655626 836357523 /nfs/dbraw/zinc/35/75/23/836357523.db2.gz CQVMGWDLDVNGQR-NRFANRHFSA-N 1 1 399.539 3.841 20 5 GHBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000582572884 836443178 /nfs/dbraw/zinc/44/31/78/836443178.db2.gz BKQGUOYAEOUYOE-LJQANCHMSA-N 1 1 387.480 3.580 20 5 GHBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000247556979 844197728 /nfs/dbraw/zinc/19/77/28/844197728.db2.gz ZHGMSNSBICEPKG-DNVCBOLYSA-N 1 1 382.464 3.751 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000175634618 836846502 /nfs/dbraw/zinc/84/65/02/836846502.db2.gz GXZHRSBPVSEOAX-FXAWDEMLSA-N 1 1 396.491 3.789 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000376389338 836915073 /nfs/dbraw/zinc/91/50/73/836915073.db2.gz VZXJTDXHQLOOPM-OAHLLOKOSA-N 1 1 385.468 3.514 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177021923 837840981 /nfs/dbraw/zinc/84/09/81/837840981.db2.gz ANJQPGVMGSESMQ-LBPRGKRZSA-N 1 1 398.301 3.598 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109764158 837842291 /nfs/dbraw/zinc/84/22/91/837842291.db2.gz KJRFJVDWLQSNTE-CQSZACIVSA-N 1 1 393.447 3.678 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181308899 837929686 /nfs/dbraw/zinc/92/96/86/837929686.db2.gz QQQHCYVMVBXWET-OAHLLOKOSA-N 1 1 381.411 3.899 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181308899 837929689 /nfs/dbraw/zinc/92/96/89/837929689.db2.gz QQQHCYVMVBXWET-OAHLLOKOSA-N 1 1 381.411 3.899 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000101561582 837954684 /nfs/dbraw/zinc/95/46/84/837954684.db2.gz QPRPKWIEHXMVSJ-AWEZNQCLSA-N 1 1 386.427 3.637 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134947838 838017421 /nfs/dbraw/zinc/01/74/21/838017421.db2.gz WRBURLKVSMYIBS-GJZGRUSLSA-N 1 1 379.888 3.975 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](CC2CC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001167314027 838203702 /nfs/dbraw/zinc/20/37/02/838203702.db2.gz JOAWRJYLNXMRBO-UHFFFAOYSA-N 1 1 375.469 3.977 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000122721853 838213789 /nfs/dbraw/zinc/21/37/89/838213789.db2.gz LNXJXYAVJNZWOZ-KXBFYZLASA-N 1 1 385.439 3.683 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](C2CC2)C1)Nc1cc(N2CC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000535727171 844351693 /nfs/dbraw/zinc/35/16/93/844351693.db2.gz SDKJMNHHDULDSF-QZTJIDSGSA-N 1 1 398.507 3.502 20 5 GHBDMO [NH3+][C@H]1CCC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000414925374 838990249 /nfs/dbraw/zinc/99/02/49/838990249.db2.gz LSTZJNYRKOYSQL-NWDGAFQWSA-N 1 1 394.269 3.977 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000549159894 839095922 /nfs/dbraw/zinc/09/59/22/839095922.db2.gz ZDOVTQUSPNLHJG-JTJHWIPRSA-N 1 1 382.460 3.745 20 5 GHBDMO COc1cc(C[NH2+][C@@H](CN)C(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415051608 839122381 /nfs/dbraw/zinc/12/23/81/839122381.db2.gz GLAVQTBGAPMBGH-FQEVSTJZSA-N 1 1 387.480 3.645 20 5 GHBDMO CC(C)[C@@H](NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000549169002 839139315 /nfs/dbraw/zinc/13/93/15/839139315.db2.gz RFWAJENVONPFNA-OAQYLSRUSA-N 1 1 387.455 3.722 20 5 GHBDMO CC(C)[C@@H](NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000549169002 839139321 /nfs/dbraw/zinc/13/93/21/839139321.db2.gz RFWAJENVONPFNA-OAQYLSRUSA-N 1 1 387.455 3.722 20 5 GHBDMO C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000610420417 839256718 /nfs/dbraw/zinc/25/67/18/839256718.db2.gz XRXQLYCNSYHCBW-NSHDSACASA-N 1 1 375.226 3.856 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000118993528 839287151 /nfs/dbraw/zinc/28/71/51/839287151.db2.gz OYSSNTGXCXFRAP-UHFFFAOYSA-N 1 1 395.463 3.645 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)cn1 ZINC000536638657 839418172 /nfs/dbraw/zinc/41/81/72/839418172.db2.gz BSFOLVQTDRALNR-UHFFFAOYSA-N 1 1 382.464 3.633 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000471569145 839440497 /nfs/dbraw/zinc/44/04/97/839440497.db2.gz FENPKOUFFLQTNL-IGOJGBNBSA-N 1 1 382.464 3.873 20 5 GHBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000261892075 839856938 /nfs/dbraw/zinc/85/69/38/839856938.db2.gz ZVMUGTLEFCPLDV-INIZCTEOSA-N 1 1 397.456 3.605 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000119244343 839931901 /nfs/dbraw/zinc/93/19/01/839931901.db2.gz JPUFVWBOXVXRNY-YLJYHZDGSA-N 1 1 381.476 3.697 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCSC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000535803049 844486385 /nfs/dbraw/zinc/48/63/85/844486385.db2.gz YRQKIRKSZMWWBM-GOSISDBHSA-N 1 1 387.505 3.663 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCSC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000535803049 844486388 /nfs/dbraw/zinc/48/63/88/844486388.db2.gz YRQKIRKSZMWWBM-GOSISDBHSA-N 1 1 387.505 3.663 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000610451590 840023809 /nfs/dbraw/zinc/02/38/09/840023809.db2.gz USYHYEXGNZFPTI-ZWKOTPCHSA-N 1 1 396.491 3.518 20 5 GHBDMO CSc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000262103305 840077141 /nfs/dbraw/zinc/07/71/41/840077141.db2.gz ZLSSPIJPENODMT-INIZCTEOSA-N 1 1 391.880 3.757 20 5 GHBDMO Cc1cccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000015100712 840194560 /nfs/dbraw/zinc/19/45/60/840194560.db2.gz ALVOJIYDLGASES-CQSZACIVSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1cccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000015100712 840194566 /nfs/dbraw/zinc/19/45/66/840194566.db2.gz ALVOJIYDLGASES-CQSZACIVSA-N 1 1 391.855 3.894 20 5 GHBDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000047127984 840216577 /nfs/dbraw/zinc/21/65/77/840216577.db2.gz SKMXNERNQALUOI-HOTGVXAUSA-N 1 1 398.463 3.526 20 5 GHBDMO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610476389 840660834 /nfs/dbraw/zinc/66/08/34/840660834.db2.gz JLGVHFNHEQANOD-FQEVSTJZSA-N 1 1 377.460 3.737 20 5 GHBDMO COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000511766232 840690719 /nfs/dbraw/zinc/69/07/19/840690719.db2.gz CWHDQXPDETXDLR-FQEVSTJZSA-N 1 1 397.475 3.634 20 5 GHBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000276030923 840769067 /nfs/dbraw/zinc/76/90/67/840769067.db2.gz RIDASDRJBWZOQJ-YVNCXZRQSA-N 1 1 394.475 3.516 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](Cc3cccc(O)c3)CC3CC3)n2)c1 ZINC000120620411 844608532 /nfs/dbraw/zinc/60/85/32/844608532.db2.gz POOPSLPPJGHVDN-UHFFFAOYSA-N 1 1 380.404 3.763 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](Cc3cccc(O)c3)CC3CC3)n2)c1 ZINC000120620411 844608539 /nfs/dbraw/zinc/60/85/39/844608539.db2.gz POOPSLPPJGHVDN-UHFFFAOYSA-N 1 1 380.404 3.763 20 5 GHBDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000106878797 841127820 /nfs/dbraw/zinc/12/78/20/841127820.db2.gz WCMNEXAPTPKIGD-ZDUSSCGKSA-N 1 1 376.482 3.998 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000107555585 841378347 /nfs/dbraw/zinc/37/83/47/841378347.db2.gz OCBXULXFOPRWSL-QGZVFWFLSA-N 1 1 397.475 3.664 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000014926748 841407698 /nfs/dbraw/zinc/40/76/98/841407698.db2.gz HOWSFZKEUIOMNW-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000014926748 841407707 /nfs/dbraw/zinc/40/77/07/841407707.db2.gz HOWSFZKEUIOMNW-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO O=C(CC[N@@H+](Cc1ccccc1)CC1(O)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000500098355 841429872 /nfs/dbraw/zinc/42/98/72/841429872.db2.gz LNLZJXDSDGNGGN-UHFFFAOYSA-N 1 1 397.475 3.731 20 5 GHBDMO COc1cc(C[N@@H+](C)CC2(C)COC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000600189647 861216361 /nfs/dbraw/zinc/21/63/61/861216361.db2.gz INBHQGDSZZDFRL-UHFFFAOYSA-N 1 1 386.448 3.651 20 5 GHBDMO Cc1cc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302171982 861230681 /nfs/dbraw/zinc/23/06/81/861230681.db2.gz MFFDWDAAKFBJCM-CALCHBBNSA-N 1 1 398.507 3.777 20 5 GHBDMO Cc1cc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302171982 861230696 /nfs/dbraw/zinc/23/06/96/861230696.db2.gz MFFDWDAAKFBJCM-CALCHBBNSA-N 1 1 398.507 3.777 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000603839391 861231784 /nfs/dbraw/zinc/23/17/84/861231784.db2.gz XUYKOQJQIARPBG-UHFFFAOYSA-N 1 1 382.464 3.951 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000603840651 861236894 /nfs/dbraw/zinc/23/68/94/861236894.db2.gz PGKDOSOPXLWCMQ-PKOBYXMFSA-N 1 1 376.840 3.825 20 5 GHBDMO CN(C(=O)C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000051132709 841849939 /nfs/dbraw/zinc/84/99/39/841849939.db2.gz BSXVBURHUUUHHO-PGRDOPGGSA-N 1 1 397.475 3.657 20 5 GHBDMO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000110388847 841902191 /nfs/dbraw/zinc/90/21/91/841902191.db2.gz KZHZBFFAWQGGDA-YQQQUEKLSA-N 1 1 395.459 3.529 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000111261450 842036090 /nfs/dbraw/zinc/03/60/90/842036090.db2.gz QTNBYEJXRWWVPV-UHFFFAOYSA-N 1 1 397.475 3.771 20 5 GHBDMO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000581739212 842121225 /nfs/dbraw/zinc/12/12/25/842121225.db2.gz UEQVTWNQFAQRQZ-UHFFFAOYSA-N 1 1 377.448 3.957 20 5 GHBDMO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000581739212 842121226 /nfs/dbraw/zinc/12/12/26/842121226.db2.gz UEQVTWNQFAQRQZ-UHFFFAOYSA-N 1 1 377.448 3.957 20 5 GHBDMO COc1cc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000599516207 861275358 /nfs/dbraw/zinc/27/53/58/861275358.db2.gz YECWQLRRDAJYBC-QWRGUYRKSA-N 1 1 394.365 3.970 20 5 GHBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000477641051 842330855 /nfs/dbraw/zinc/33/08/55/842330855.db2.gz VEJDYQVSCLRTIO-UHFFFAOYSA-N 1 1 383.473 3.738 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000134658376 842420314 /nfs/dbraw/zinc/42/03/14/842420314.db2.gz LJKMCWAIKJPWMW-STQMWFEESA-N 1 1 390.440 3.614 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000134658376 842420318 /nfs/dbraw/zinc/42/03/18/842420318.db2.gz LJKMCWAIKJPWMW-STQMWFEESA-N 1 1 390.440 3.614 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000134656721 842420578 /nfs/dbraw/zinc/42/05/78/842420578.db2.gz SGUHXXYMHONEKN-HOTGVXAUSA-N 1 1 393.484 3.741 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000512140393 842622394 /nfs/dbraw/zinc/62/23/94/842622394.db2.gz WHGJFGXJLIFVSN-CQSZACIVSA-N 1 1 377.510 3.723 20 5 GHBDMO COC(=O)c1cnc(C2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000599555506 861328312 /nfs/dbraw/zinc/32/83/12/861328312.db2.gz NOBKVGUUPKGRRA-LBPRGKRZSA-N 1 1 375.450 3.779 20 5 GHBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000093809048 842735596 /nfs/dbraw/zinc/73/55/96/842735596.db2.gz QDDFXJSYOXBHHV-AWEZNQCLSA-N 1 1 387.411 3.614 20 5 GHBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc3ccccc3c3cccnc23)CCCO1 ZINC000432554206 843124678 /nfs/dbraw/zinc/12/46/78/843124678.db2.gz CHWIAOUJEXBTHU-QGZVFWFLSA-N 1 1 377.488 3.619 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430910769 843169307 /nfs/dbraw/zinc/16/93/07/843169307.db2.gz XQOFRVZCUGMCDE-LAUBAEHRSA-N 1 1 397.475 3.646 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430910769 843169312 /nfs/dbraw/zinc/16/93/12/843169312.db2.gz XQOFRVZCUGMCDE-LAUBAEHRSA-N 1 1 397.475 3.646 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512246441 843211865 /nfs/dbraw/zinc/21/18/65/843211865.db2.gz UQISMWYJFTYBGB-QFIPXVFZSA-N 1 1 381.476 3.701 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH+]1CCC2(CC2)CC1 ZINC000611177677 843417902 /nfs/dbraw/zinc/41/79/02/843417902.db2.gz UDZBSAUSFQYTGU-ZDUSSCGKSA-N 1 1 386.477 3.921 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000610666712 843452768 /nfs/dbraw/zinc/45/27/68/843452768.db2.gz WQYKYIMEPIKPDY-HXUWFJFHSA-N 1 1 381.476 3.556 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176039454 843545717 /nfs/dbraw/zinc/54/57/17/843545717.db2.gz WJZSIJDHFGFJQO-INIZCTEOSA-N 1 1 384.480 3.915 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599646486 861444272 /nfs/dbraw/zinc/44/42/72/861444272.db2.gz XJQADYMGWWXTHT-UHFFFAOYSA-N 1 1 386.452 3.709 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000599680649 861519559 /nfs/dbraw/zinc/51/95/59/861519559.db2.gz VLHGEMKTGRGEMU-UKRRQHHQSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000599680649 861519570 /nfs/dbraw/zinc/51/95/70/861519570.db2.gz VLHGEMKTGRGEMU-UKRRQHHQSA-N 1 1 387.411 3.559 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000433063518 845109596 /nfs/dbraw/zinc/10/95/96/845109596.db2.gz SQKIHRCHAYMROP-GOSISDBHSA-N 1 1 397.475 3.984 20 5 GHBDMO CCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000513483526 845504090 /nfs/dbraw/zinc/50/40/90/845504090.db2.gz DVWURBRIAKODFA-CTNGQTDRSA-N 1 1 384.476 3.604 20 5 GHBDMO Cc1c(CC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000119529212 845512471 /nfs/dbraw/zinc/51/24/71/845512471.db2.gz YFMYSNWWSKWYFK-UHFFFAOYSA-N 1 1 395.503 3.816 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Br)c1 ZINC000538738574 845599848 /nfs/dbraw/zinc/59/98/48/845599848.db2.gz DXZCYQIQHYHSBC-CQSZACIVSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Br)c1 ZINC000538738574 845599851 /nfs/dbraw/zinc/59/98/51/845599851.db2.gz DXZCYQIQHYHSBC-CQSZACIVSA-N 1 1 391.269 3.747 20 5 GHBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001267082285 846173250 /nfs/dbraw/zinc/17/32/50/846173250.db2.gz BFGUNFMQIVGSAR-UHFFFAOYSA-N 1 1 397.450 3.862 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000513672419 846218959 /nfs/dbraw/zinc/21/89/59/846218959.db2.gz RJFYJHAASLSTKH-UHFFFAOYSA-N 1 1 386.452 3.636 20 5 GHBDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000511071263 846277579 /nfs/dbraw/zinc/27/75/79/846277579.db2.gz BUAYHBBNTPWNNX-UHFFFAOYSA-N 1 1 375.856 3.978 20 5 GHBDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000511071263 846277589 /nfs/dbraw/zinc/27/75/89/846277589.db2.gz BUAYHBBNTPWNNX-UHFFFAOYSA-N 1 1 375.856 3.978 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000421535455 846332765 /nfs/dbraw/zinc/33/27/65/846332765.db2.gz BIOVDDBYKFIOAP-QHCPKHFHSA-N 1 1 393.487 3.950 20 5 GHBDMO Cc1c(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000280698639 846494667 /nfs/dbraw/zinc/49/46/67/846494667.db2.gz HMFBUTDQSXFYGN-GWCFXTLKSA-N 1 1 399.289 3.612 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000501037489 846584272 /nfs/dbraw/zinc/58/42/72/846584272.db2.gz PYBUFVDIGQUPQM-LJQANCHMSA-N 1 1 396.491 3.520 20 5 GHBDMO CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501037489 846584277 /nfs/dbraw/zinc/58/42/77/846584277.db2.gz PYBUFVDIGQUPQM-LJQANCHMSA-N 1 1 396.491 3.520 20 5 GHBDMO CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501037489 846584284 /nfs/dbraw/zinc/58/42/84/846584284.db2.gz PYBUFVDIGQUPQM-LJQANCHMSA-N 1 1 396.491 3.520 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000555739556 861700798 /nfs/dbraw/zinc/70/07/98/861700798.db2.gz BDCKRNQLPBKFNC-UHFFFAOYSA-N 1 1 389.455 3.749 20 5 GHBDMO C[N@@H+](CCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCCC1 ZINC000548720626 846779116 /nfs/dbraw/zinc/77/91/16/846779116.db2.gz SJKJHJRUUQWGDK-UHFFFAOYSA-N 1 1 387.402 3.884 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001167561939 846811346 /nfs/dbraw/zinc/81/13/46/846811346.db2.gz CHYYQNZGARRETN-FQEVSTJZSA-N 1 1 397.475 3.648 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000478281019 847040788 /nfs/dbraw/zinc/04/07/88/847040788.db2.gz TZFNAIJIZPZDNI-ZDUSSCGKSA-N 1 1 386.260 3.858 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000127590475 847108220 /nfs/dbraw/zinc/10/82/20/847108220.db2.gz UXTCKOWAZVLUMU-HNNXBMFYSA-N 1 1 382.464 3.780 20 5 GHBDMO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126432 847257645 /nfs/dbraw/zinc/25/76/45/847257645.db2.gz PYVOFPXMALTXQW-MAUKXSAKSA-N 1 1 387.505 3.883 20 5 GHBDMO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126432 847257657 /nfs/dbraw/zinc/25/76/57/847257657.db2.gz PYVOFPXMALTXQW-MAUKXSAKSA-N 1 1 387.505 3.883 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303673514 861833624 /nfs/dbraw/zinc/83/36/24/861833624.db2.gz XKMUWUHECGQOTD-KZNAEPCWSA-N 1 1 388.512 3.508 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000479972897 847996185 /nfs/dbraw/zinc/99/61/85/847996185.db2.gz WYIAKSFXOXAHCG-SFHVURJKSA-N 1 1 397.475 3.948 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611713205 848216675 /nfs/dbraw/zinc/21/66/75/848216675.db2.gz ZXRHDVBGECAKQX-HOTGVXAUSA-N 1 1 377.448 3.637 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000611826386 848264220 /nfs/dbraw/zinc/26/42/20/848264220.db2.gz SLDVWHAYVKICAL-UHFFFAOYSA-N 1 1 398.463 3.652 20 5 GHBDMO C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000612485980 848633259 /nfs/dbraw/zinc/63/32/59/848633259.db2.gz OMZOHGAITDMFJO-DLBZAZTESA-N 1 1 399.466 3.960 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000573137450 848885186 /nfs/dbraw/zinc/88/51/86/848885186.db2.gz NYFDKTJEBXFNKQ-LSDHHAIUSA-N 1 1 382.338 3.804 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000278196814 849598570 /nfs/dbraw/zinc/59/85/70/849598570.db2.gz UVGPTHASRIQNAU-UHFFFAOYSA-N 1 1 396.447 3.556 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423380350 849893339 /nfs/dbraw/zinc/89/33/39/849893339.db2.gz YLMXHJKXCWNJMT-AZOIQLNYSA-N 1 1 375.419 3.539 20 5 GHBDMO C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504279660 849995191 /nfs/dbraw/zinc/99/51/91/849995191.db2.gz MQGPNRWRGPQZRE-WMZOPIPTSA-N 1 1 379.460 3.785 20 5 GHBDMO COc1cc(CN[C@H](C)[C@H]2CCC[NH2+]C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414863175 849996006 /nfs/dbraw/zinc/99/60/06/849996006.db2.gz YARZWPQITSNRTJ-APWZRJJASA-N 1 1 399.491 3.660 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000486761579 850065807 /nfs/dbraw/zinc/06/58/07/850065807.db2.gz WEAQFJAYVDCMSU-AWEZNQCLSA-N 1 1 397.431 3.950 20 5 GHBDMO CN(C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000029827981 862092145 /nfs/dbraw/zinc/09/21/45/862092145.db2.gz XLMNQJLOZIUBAF-HNNXBMFYSA-N 1 1 394.431 3.578 20 5 GHBDMO CN(C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000029827981 862092162 /nfs/dbraw/zinc/09/21/62/862092162.db2.gz XLMNQJLOZIUBAF-HNNXBMFYSA-N 1 1 394.431 3.578 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000504523620 850119285 /nfs/dbraw/zinc/11/92/85/850119285.db2.gz GDCBIFBXZVLFHG-KRWDZBQOSA-N 1 1 389.402 3.999 20 5 GHBDMO CCCC[N@@H+](C)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435330482 850377845 /nfs/dbraw/zinc/37/78/45/850377845.db2.gz TUICWSREMDPPEM-UHFFFAOYSA-N 1 1 387.278 3.519 20 5 GHBDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000043801571 850582393 /nfs/dbraw/zinc/58/23/93/850582393.db2.gz QXJAOWPVSYJLNM-GOSISDBHSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000043801571 850582400 /nfs/dbraw/zinc/58/24/00/850582400.db2.gz QXJAOWPVSYJLNM-GOSISDBHSA-N 1 1 380.404 3.991 20 5 GHBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426562008 850748139 /nfs/dbraw/zinc/74/81/39/850748139.db2.gz PXCYWKCEWAFSJZ-MRXNPFEDSA-N 1 1 385.464 3.540 20 5 GHBDMO CC[N@H+]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)[C@H](C)C1 ZINC000910280038 851104120 /nfs/dbraw/zinc/10/41/20/851104120.db2.gz NYUVKJGSWJRICA-CYBMUJFWSA-N 1 1 399.441 3.516 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000425461713 851186253 /nfs/dbraw/zinc/18/62/53/851186253.db2.gz SEHVVAGQXFDKOW-BGJPBQGDSA-N 1 1 397.294 3.946 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000604474824 862219435 /nfs/dbraw/zinc/21/94/35/862219435.db2.gz ZMSNOYSUGJRPCA-QGZVFWFLSA-N 1 1 396.491 3.826 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000436137245 851249625 /nfs/dbraw/zinc/24/96/25/851249625.db2.gz ZBKKGLNGCVMVBG-GOSISDBHSA-N 1 1 397.475 3.887 20 5 GHBDMO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000436157188 851269160 /nfs/dbraw/zinc/26/91/60/851269160.db2.gz WJCOXDQUPCCOBX-UHFFFAOYSA-N 1 1 391.515 3.875 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436155656 851269396 /nfs/dbraw/zinc/26/93/96/851269396.db2.gz SHQUPAXYBQUUPC-MRXNPFEDSA-N 1 1 391.515 3.922 20 5 GHBDMO CC[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)[N@H+]1CCc2ccccc2C1 ZINC000514226813 851423527 /nfs/dbraw/zinc/42/35/27/851423527.db2.gz LTLZMCHENVXPIM-GOSISDBHSA-N 1 1 382.464 3.862 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CCCCC1 ZINC000436312336 851447516 /nfs/dbraw/zinc/44/75/16/851447516.db2.gz ZEXISNYHVWGWRX-UHFFFAOYSA-N 1 1 395.478 3.815 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000488472465 851542948 /nfs/dbraw/zinc/54/29/48/851542948.db2.gz UXRFMNGJXATKHR-DNVCBOLYSA-N 1 1 393.443 3.981 20 5 GHBDMO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000488483283 851554652 /nfs/dbraw/zinc/55/46/52/851554652.db2.gz GVTDVSBUUQSMLU-QFBILLFUSA-N 1 1 397.475 3.634 20 5 GHBDMO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000894580879 851745424 /nfs/dbraw/zinc/74/54/24/851745424.db2.gz XQOJAUGPAHMQCW-UHFFFAOYSA-N 1 1 392.481 3.645 20 5 GHBDMO CC[N@H+]1CCCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000517680414 852266082 /nfs/dbraw/zinc/26/60/82/852266082.db2.gz XNHHZXUUDDCKQA-UHFFFAOYSA-N 1 1 379.526 3.901 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOC[C@H]3Cc3ccccc3)o2)c1 ZINC000426778603 852384461 /nfs/dbraw/zinc/38/44/61/852384461.db2.gz YXSSYUXUGYXVEE-HXUWFJFHSA-N 1 1 393.443 3.736 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000426814595 852426005 /nfs/dbraw/zinc/42/60/05/852426005.db2.gz HNIWMHCJWZGIHL-IYBDPMFKSA-N 1 1 395.931 3.960 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000505919693 852589453 /nfs/dbraw/zinc/58/94/53/852589453.db2.gz ULWSECLINGVSPZ-HZPDHXFCSA-N 1 1 384.480 3.803 20 5 GHBDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000481842861 862382728 /nfs/dbraw/zinc/38/27/28/862382728.db2.gz QIOXFDGMLMCCHP-CYBMUJFWSA-N 1 1 381.274 3.544 20 5 GHBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)C1 ZINC000293842794 852723199 /nfs/dbraw/zinc/72/31/99/852723199.db2.gz CQQBHBNTUWDXKY-HSZRJFAPSA-N 1 1 375.472 3.652 20 5 GHBDMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000507302447 852779505 /nfs/dbraw/zinc/77/95/05/852779505.db2.gz MGBUSGDOIZOUPR-CRAIPNDOSA-N 1 1 383.448 3.598 20 5 GHBDMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000507302447 852779510 /nfs/dbraw/zinc/77/95/10/852779510.db2.gz MGBUSGDOIZOUPR-CRAIPNDOSA-N 1 1 383.448 3.598 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490330183 852959946 /nfs/dbraw/zinc/95/99/46/852959946.db2.gz YRRCTWDJBCSPBN-NVXWUHKLSA-N 1 1 395.431 3.888 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490330183 852959952 /nfs/dbraw/zinc/95/99/52/852959952.db2.gz YRRCTWDJBCSPBN-NVXWUHKLSA-N 1 1 395.431 3.888 20 5 GHBDMO Cc1ccc([C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000437348036 853029307 /nfs/dbraw/zinc/02/93/07/853029307.db2.gz ORULHOMVBWBNNO-JGLAZKSCSA-N 1 1 388.489 3.680 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000054698823 853054848 /nfs/dbraw/zinc/05/48/48/853054848.db2.gz ZDFITTIDRHQEMD-BXWFABGCSA-N 1 1 382.464 3.791 20 5 GHBDMO C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000437463428 853163628 /nfs/dbraw/zinc/16/36/28/853163628.db2.gz SJFZNKGAWAFFHD-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO Cc1ccc([C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[NH+]2CCCC2)o1 ZINC000506463847 853197211 /nfs/dbraw/zinc/19/72/11/853197211.db2.gz OUHMIWFWPDLAAI-MRXNPFEDSA-N 1 1 383.404 3.809 20 5 GHBDMO Cc1ccc(N2CCC(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000439149518 853345477 /nfs/dbraw/zinc/34/54/77/853345477.db2.gz BEELUPVYXHVMMB-UHFFFAOYSA-N 1 1 388.855 3.659 20 5 GHBDMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491105757 853453068 /nfs/dbraw/zinc/45/30/68/853453068.db2.gz BSPGJMMJOMYRBL-UHFFFAOYSA-N 1 1 375.375 3.724 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000491159963 853474588 /nfs/dbraw/zinc/47/45/88/853474588.db2.gz FRTSHGMASCTMOL-DOMZBBRYSA-N 1 1 386.477 3.777 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439314458 853531746 /nfs/dbraw/zinc/53/17/46/853531746.db2.gz JZXZBJTVYYYNHI-AEFFLSMTSA-N 1 1 388.489 3.637 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439314458 853531752 /nfs/dbraw/zinc/53/17/52/853531752.db2.gz JZXZBJTVYYYNHI-AEFFLSMTSA-N 1 1 388.489 3.637 20 5 GHBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000437853929 853606085 /nfs/dbraw/zinc/60/60/85/853606085.db2.gz TYLRSFCIEYLCCR-YOEHRIQHSA-N 1 1 377.460 3.751 20 5 GHBDMO C[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458882470 854410202 /nfs/dbraw/zinc/41/02/02/854410202.db2.gz AKOFKNOYEZVAME-BZSNNMDCSA-N 1 1 388.512 3.952 20 5 GHBDMO C[C@@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC000588854745 854552365 /nfs/dbraw/zinc/55/23/65/854552365.db2.gz LLJJFSQILRRYHC-PBHICJAKSA-N 1 1 380.448 3.554 20 5 GHBDMO CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248375362 854713342 /nfs/dbraw/zinc/71/33/42/854713342.db2.gz WQBVLAZMSAUXDH-MJGOQNOKSA-N 1 1 386.448 3.570 20 5 GHBDMO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000590196235 855317837 /nfs/dbraw/zinc/31/78/37/855317837.db2.gz STTUJLIKUMSPLU-ORAYPTAESA-N 1 1 389.402 3.715 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](CCN)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC001170315973 881344762 /nfs/dbraw/zinc/34/47/62/881344762.db2.gz ZWBSXXYONJJKCK-BZSISCHUSA-N 1 1 387.524 3.764 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591036201 855731166 /nfs/dbraw/zinc/73/11/66/855731166.db2.gz QFZIWTZTUMXSKH-YUXAGFNASA-N 1 1 393.487 3.727 20 5 GHBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000573109176 855847194 /nfs/dbraw/zinc/84/71/94/855847194.db2.gz BATUEZPBAVAKNY-CYBMUJFWSA-N 1 1 387.402 3.742 20 5 GHBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000573109176 855847202 /nfs/dbraw/zinc/84/72/02/855847202.db2.gz BATUEZPBAVAKNY-CYBMUJFWSA-N 1 1 387.402 3.742 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000485011608 855991836 /nfs/dbraw/zinc/99/18/36/855991836.db2.gz ATIRJAKWEMQDDC-VXGBXAGGSA-N 1 1 386.399 3.533 20 5 GHBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000614660606 856162758 /nfs/dbraw/zinc/16/27/58/856162758.db2.gz LJYSHJHPITTWCA-QFIPXVFZSA-N 1 1 389.411 3.951 20 5 GHBDMO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485167048 856180072 /nfs/dbraw/zinc/18/00/72/856180072.db2.gz LFIQCSMCHQRVGW-QAPCUYQASA-N 1 1 394.475 3.802 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000157456707 856271135 /nfs/dbraw/zinc/27/11/35/856271135.db2.gz QFWQIWFCICENJG-MRXNPFEDSA-N 1 1 385.439 3.779 20 5 GHBDMO CCC[C@@H]([NH2+]Cc1ccc(N2CCN(CC)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000159508541 862794671 /nfs/dbraw/zinc/79/46/71/862794671.db2.gz PXNXVESDKZBEDL-OAQYLSRUSA-N 1 1 397.523 3.763 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592139746 856689845 /nfs/dbraw/zinc/68/98/45/856689845.db2.gz QAYUNUJKKVLBSS-OAQYLSRUSA-N 1 1 397.475 3.505 20 5 GHBDMO COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429236754 856697895 /nfs/dbraw/zinc/69/78/95/856697895.db2.gz MJYZTVIKPOEOLL-HNNXBMFYSA-N 1 1 385.464 3.648 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000508014295 856800859 /nfs/dbraw/zinc/80/08/59/856800859.db2.gz RKHHYKKOQSIUEJ-FQEVSTJZSA-N 1 1 394.475 3.606 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000508014295 856800877 /nfs/dbraw/zinc/80/08/77/856800877.db2.gz RKHHYKKOQSIUEJ-FQEVSTJZSA-N 1 1 394.475 3.606 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000173314462 856849781 /nfs/dbraw/zinc/84/97/81/856849781.db2.gz LQCCOHMMEIOXAW-UHFFFAOYSA-N 1 1 387.402 3.998 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000245458945 856874812 /nfs/dbraw/zinc/87/48/12/856874812.db2.gz VCCCLWIBFXAYHX-RHSMWYFYSA-N 1 1 387.436 3.998 20 5 GHBDMO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1 ZINC000301666101 856950555 /nfs/dbraw/zinc/95/05/55/856950555.db2.gz MCGYYUGLZCMACS-UHFFFAOYSA-N 1 1 391.269 3.829 20 5 GHBDMO Cc1sc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc1[N+](=O)[O-] ZINC000552869408 857086281 /nfs/dbraw/zinc/08/62/81/857086281.db2.gz RLOTWUVZYAAOBS-OAHLLOKOSA-N 1 1 385.445 3.819 20 5 GHBDMO CN(C(=O)C[N@H+]1CC[C@H](CSc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173750471 857128363 /nfs/dbraw/zinc/12/83/63/857128363.db2.gz OFLUCHCNKRBLRA-INIZCTEOSA-N 1 1 385.489 3.672 20 5 GHBDMO C[C@@H](O)CC[N@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000173821755 857163159 /nfs/dbraw/zinc/16/31/59/857163159.db2.gz RZHVWGDTCLAICT-ACJLOTCBSA-N 1 1 391.855 3.631 20 5 GHBDMO C[C@@H](O)CC[N@@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000173821755 857163164 /nfs/dbraw/zinc/16/31/64/857163164.db2.gz RZHVWGDTCLAICT-ACJLOTCBSA-N 1 1 391.855 3.631 20 5 GHBDMO CCS[C@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173868394 857170279 /nfs/dbraw/zinc/17/02/79/857170279.db2.gz KXYLNXQCGXHIKH-ZFWWWQNUSA-N 1 1 381.498 3.538 20 5 GHBDMO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000174170276 857218376 /nfs/dbraw/zinc/21/83/76/857218376.db2.gz IZBKBLCIVBTOLT-GJZGRUSLSA-N 1 1 394.435 3.596 20 5 GHBDMO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000174170276 857218383 /nfs/dbraw/zinc/21/83/83/857218383.db2.gz IZBKBLCIVBTOLT-GJZGRUSLSA-N 1 1 394.435 3.596 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC000520810795 857239273 /nfs/dbraw/zinc/23/92/73/857239273.db2.gz GAFPQMKJEDGBLU-BEFAXECRSA-N 1 1 376.840 3.825 20 5 GHBDMO CC(=O)c1ccc(NC(=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130926827 857296628 /nfs/dbraw/zinc/29/66/28/857296628.db2.gz LNEJAINJRPXGSZ-UHFFFAOYSA-N 1 1 381.432 3.791 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000486097807 857425336 /nfs/dbraw/zinc/42/53/36/857425336.db2.gz RDQJUJNQDCCZKB-CQSZACIVSA-N 1 1 395.525 3.710 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000486097806 857425872 /nfs/dbraw/zinc/42/58/72/857425872.db2.gz RDQJUJNQDCCZKB-AWEZNQCLSA-N 1 1 395.525 3.710 20 5 GHBDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000055152300 857438257 /nfs/dbraw/zinc/43/82/57/857438257.db2.gz CMZHCDDIVMLXCT-QWHCGFSZSA-N 1 1 375.400 3.729 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c(Cl)c1 ZINC000301737884 857475212 /nfs/dbraw/zinc/47/52/12/857475212.db2.gz VYRIKIGEBCEZRH-KXBFYZLASA-N 1 1 375.856 3.543 20 5 GHBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000027211761 857650279 /nfs/dbraw/zinc/65/02/79/857650279.db2.gz MVINDEJSKKQJQT-ZDUSSCGKSA-N 1 1 375.400 3.510 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000027211761 857650287 /nfs/dbraw/zinc/65/02/87/857650287.db2.gz MVINDEJSKKQJQT-ZDUSSCGKSA-N 1 1 375.400 3.510 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000058949590 857833709 /nfs/dbraw/zinc/83/37/09/857833709.db2.gz VBGDIDKDUHGCQG-QGZVFWFLSA-N 1 1 397.475 3.522 20 5 GHBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000132184485 857835894 /nfs/dbraw/zinc/83/58/94/857835894.db2.gz RJCABXQADCMTPH-FQEVSTJZSA-N 1 1 378.432 3.668 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC000595024555 858355069 /nfs/dbraw/zinc/35/50/69/858355069.db2.gz AKMPZOJJWZHWEC-DOMZBBRYSA-N 1 1 392.481 3.764 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000595050996 858380199 /nfs/dbraw/zinc/38/01/99/858380199.db2.gz WINCQXUOHHZZOK-YLJYHZDGSA-N 1 1 399.491 3.545 20 5 GHBDMO CC(C)(CO)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccnc1 ZINC000595502247 858546812 /nfs/dbraw/zinc/54/68/12/858546812.db2.gz XQXCWCRRFPLKTO-INIZCTEOSA-N 1 1 383.370 3.858 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115553818 858566753 /nfs/dbraw/zinc/56/67/53/858566753.db2.gz LPHASPQSZCCUMZ-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595790810 858689874 /nfs/dbraw/zinc/68/98/74/858689874.db2.gz YDDBSLQEQOMIPP-QFBILLFUSA-N 1 1 375.469 3.513 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)s1 ZINC000595921083 858735037 /nfs/dbraw/zinc/73/50/37/858735037.db2.gz SSDRALNVKKNXFX-QWHCGFSZSA-N 1 1 375.450 3.779 20 5 GHBDMO C[N@@H+](Cc1ccccc1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000059888526 858738340 /nfs/dbraw/zinc/73/83/40/858738340.db2.gz VPUBFBRJLYKFLF-UHFFFAOYSA-N 1 1 396.491 3.872 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)F)ccc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000596189874 858802743 /nfs/dbraw/zinc/80/27/43/858802743.db2.gz MMVKEQHZCYJIGK-INIZCTEOSA-N 1 1 377.391 3.711 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000439258937 858869894 /nfs/dbraw/zinc/86/98/94/858869894.db2.gz JDZADSSKSIKMTR-OAQYLSRUSA-N 1 1 385.464 3.505 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)F)ccc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000596424056 858892812 /nfs/dbraw/zinc/89/28/12/858892812.db2.gz PKPSADHSVRPLKS-INIZCTEOSA-N 1 1 377.391 3.711 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(c3ncccn3)CCOCC2)s1 ZINC000923010118 858943915 /nfs/dbraw/zinc/94/39/15/858943915.db2.gz VBTJUZOYVKEEPO-UHFFFAOYSA-N 1 1 396.472 3.909 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170327206 881363939 /nfs/dbraw/zinc/36/39/39/881363939.db2.gz FRQHJARBHCHYFY-HOCLYGCPSA-N 1 1 393.484 3.524 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1Oc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000596636772 858990617 /nfs/dbraw/zinc/99/06/17/858990617.db2.gz NPPCBTQKNBICRF-UHFFFAOYSA-N 1 1 394.431 3.620 20 5 GHBDMO CCN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000596748925 859042931 /nfs/dbraw/zinc/04/29/31/859042931.db2.gz PNNGBHOVURJXLH-QGZVFWFLSA-N 1 1 384.436 3.945 20 5 GHBDMO COc1cc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000160624245 859070029 /nfs/dbraw/zinc/07/00/29/859070029.db2.gz HXTUEBBHIMYZLX-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000160624245 859070039 /nfs/dbraw/zinc/07/00/39/859070039.db2.gz HXTUEBBHIMYZLX-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO Cc1ccoc1C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000429359156 859138590 /nfs/dbraw/zinc/13/85/90/859138590.db2.gz AZKKZXICMFWTGZ-UHFFFAOYSA-N 1 1 386.189 3.733 20 5 GHBDMO Cc1ccoc1C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000429359156 859138597 /nfs/dbraw/zinc/13/85/97/859138597.db2.gz AZKKZXICMFWTGZ-UHFFFAOYSA-N 1 1 386.189 3.733 20 5 GHBDMO CCc1nn(C)c(NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301942939 859212128 /nfs/dbraw/zinc/21/21/28/859212128.db2.gz XSUIIINLOCCQSV-WBMJQRKESA-N 1 1 395.866 3.788 20 5 GHBDMO CCc1nn(C)c(NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301942939 859212141 /nfs/dbraw/zinc/21/21/41/859212141.db2.gz XSUIIINLOCCQSV-WBMJQRKESA-N 1 1 395.866 3.788 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c([N+](=O)[O-])c1 ZINC001170355654 881398505 /nfs/dbraw/zinc/39/85/05/881398505.db2.gz NZFUFWQDEPHELR-LPHOPBHVSA-N 1 1 385.464 3.781 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000474143115 859255684 /nfs/dbraw/zinc/25/56/84/859255684.db2.gz RYPGYGVECLZUIS-QFIPXVFZSA-N 1 1 398.507 3.532 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000474143115 859255696 /nfs/dbraw/zinc/25/56/96/859255696.db2.gz RYPGYGVECLZUIS-QFIPXVFZSA-N 1 1 398.507 3.532 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000474143115 859255707 /nfs/dbraw/zinc/25/57/07/859255707.db2.gz RYPGYGVECLZUIS-QFIPXVFZSA-N 1 1 398.507 3.532 20 5 GHBDMO CCOc1cc(N2CC[NH+](Cc3cc4ccncc4s3)CC2)ccc1[N+](=O)[O-] ZINC000597116863 859293441 /nfs/dbraw/zinc/29/34/41/859293441.db2.gz KFGFNIZMQMJGNE-UHFFFAOYSA-N 1 1 398.488 3.925 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)ccc1Oc1ccc(F)cc1 ZINC000597173098 859335251 /nfs/dbraw/zinc/33/52/51/859335251.db2.gz DWQNLWCCFPCZTN-MRXNPFEDSA-N 1 1 397.410 3.640 20 5 GHBDMO Cc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000483488641 859395855 /nfs/dbraw/zinc/39/58/55/859395855.db2.gz IABRMSQMUYBCBC-UHFFFAOYSA-N 1 1 385.283 3.722 20 5 GHBDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000483488641 859395861 /nfs/dbraw/zinc/39/58/61/859395861.db2.gz IABRMSQMUYBCBC-UHFFFAOYSA-N 1 1 385.283 3.722 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])cc1 ZINC000593324743 859409082 /nfs/dbraw/zinc/40/90/82/859409082.db2.gz ZHTPNEVMGQJVMA-NQIIRXRSSA-N 1 1 391.475 3.824 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000483641489 859504808 /nfs/dbraw/zinc/50/48/08/859504808.db2.gz JNEZHBMGWWCMOQ-ZNMIVQPWSA-N 1 1 379.526 3.803 20 5 GHBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C[C@@H]1C ZINC000611088446 859600344 /nfs/dbraw/zinc/60/03/44/859600344.db2.gz WZBLCWBSVQJVKY-HNNXBMFYSA-N 1 1 399.447 3.562 20 5 GHBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C[C@@H]1C ZINC000611088446 859600353 /nfs/dbraw/zinc/60/03/53/859600353.db2.gz WZBLCWBSVQJVKY-HNNXBMFYSA-N 1 1 399.447 3.562 20 5 GHBDMO Cc1nn(C[NH+]2CCC(OCc3ccccc3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764867147 859650537 /nfs/dbraw/zinc/65/05/37/859650537.db2.gz XVVWXKWVHTZMJX-UHFFFAOYSA-N 1 1 380.448 3.892 20 5 GHBDMO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765005441 859732578 /nfs/dbraw/zinc/73/25/78/859732578.db2.gz CPEIYXRAWFIDEU-OAHLLOKOSA-N 1 1 396.447 3.522 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000765030936 859739537 /nfs/dbraw/zinc/73/95/37/859739537.db2.gz UBJXLNZOJOULOA-LJQANCHMSA-N 1 1 379.432 3.567 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000765030936 859739546 /nfs/dbraw/zinc/73/95/46/859739546.db2.gz UBJXLNZOJOULOA-LJQANCHMSA-N 1 1 379.432 3.567 20 5 GHBDMO COC(=O)CC[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345450 881469517 /nfs/dbraw/zinc/46/95/17/881469517.db2.gz KTPUYMRSEPIDQZ-MRXNPFEDSA-N 1 1 386.448 3.600 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000597855070 859873506 /nfs/dbraw/zinc/87/35/06/859873506.db2.gz QLVUSMQKEMMFKO-ZDUSSCGKSA-N 1 1 388.493 3.569 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000185340110 859919930 /nfs/dbraw/zinc/91/99/30/859919930.db2.gz DUGGJBWTWCPNHI-FQEVSTJZSA-N 1 1 399.516 3.957 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351236 881486280 /nfs/dbraw/zinc/48/62/80/881486280.db2.gz BQEXBIBMTIEIHJ-GJZGRUSLSA-N 1 1 378.469 3.588 20 5 GHBDMO COc1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000092435638 860046146 /nfs/dbraw/zinc/04/61/46/860046146.db2.gz RDSLQGVDJPWPQJ-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000092435638 860046156 /nfs/dbraw/zinc/04/61/56/860046156.db2.gz RDSLQGVDJPWPQJ-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092534977 860072537 /nfs/dbraw/zinc/07/25/37/860072537.db2.gz NSQRSKPGYROTCU-XBXARRHUSA-N 1 1 397.450 3.524 20 5 GHBDMO O=C(Cc1cccc(F)c1)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092534977 860072542 /nfs/dbraw/zinc/07/25/42/860072542.db2.gz NSQRSKPGYROTCU-XBXARRHUSA-N 1 1 397.450 3.524 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598219427 860164717 /nfs/dbraw/zinc/16/47/17/860164717.db2.gz LTGRCSVDIPGBNC-CYBMUJFWSA-N 1 1 385.386 3.750 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598220052 860166669 /nfs/dbraw/zinc/16/66/69/860166669.db2.gz OOEJMTFALXPWAL-LBPRGKRZSA-N 1 1 385.386 3.750 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000602661109 860197450 /nfs/dbraw/zinc/19/74/50/860197450.db2.gz JFMYJELMQAMZAG-CYBMUJFWSA-N 1 1 386.292 3.893 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000602661109 860197454 /nfs/dbraw/zinc/19/74/54/860197454.db2.gz JFMYJELMQAMZAG-CYBMUJFWSA-N 1 1 386.292 3.893 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[N@@H+](CC4CCCCC4)CC3)o2)cc1 ZINC000124023992 860202487 /nfs/dbraw/zinc/20/24/87/860202487.db2.gz FIDCXHMIFGCVGJ-UHFFFAOYSA-N 1 1 399.495 3.733 20 5 GHBDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093754311 860343401 /nfs/dbraw/zinc/34/34/01/860343401.db2.gz XSZCYJGVTDWFBL-HNNXBMFYSA-N 1 1 376.478 3.808 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552277517 860415548 /nfs/dbraw/zinc/41/55/48/860415548.db2.gz WZEDMZKGJAKOQB-UXHICEINSA-N 1 1 385.512 3.518 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000053232758 860442634 /nfs/dbraw/zinc/44/26/34/860442634.db2.gz DSGNJKQLGQLQGW-LBPRGKRZSA-N 1 1 377.828 3.888 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000053232758 860442637 /nfs/dbraw/zinc/44/26/37/860442637.db2.gz DSGNJKQLGQLQGW-LBPRGKRZSA-N 1 1 377.828 3.888 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cncc(Cl)c1)[C@H]1CC[C@H](O)CC1 ZINC000598624375 860451442 /nfs/dbraw/zinc/45/14/42/860451442.db2.gz GKHKJTYWPIWTBJ-IYARVYRRSA-N 1 1 375.856 3.949 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cncc(Cl)c1)[C@H]1CC[C@H](O)CC1 ZINC000598624375 860451447 /nfs/dbraw/zinc/45/14/47/860451447.db2.gz GKHKJTYWPIWTBJ-IYARVYRRSA-N 1 1 375.856 3.949 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000301337912 860456659 /nfs/dbraw/zinc/45/66/59/860456659.db2.gz DMLGFKOHEHQTCI-UHFFFAOYSA-N 1 1 388.225 3.859 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000155298143 860472013 /nfs/dbraw/zinc/47/20/13/860472013.db2.gz DSRGFNFRDCHCSY-CQSZACIVSA-N 1 1 389.839 3.685 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000155298143 860472017 /nfs/dbraw/zinc/47/20/17/860472017.db2.gz DSRGFNFRDCHCSY-CQSZACIVSA-N 1 1 389.839 3.685 20 5 GHBDMO COCC[N@H+]1CCC[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000729987188 860485468 /nfs/dbraw/zinc/48/54/68/860485468.db2.gz FXCVAQOADLQQIM-SNVBAGLBSA-N 1 1 381.782 3.790 20 5 GHBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000484942914 860512715 /nfs/dbraw/zinc/51/27/15/860512715.db2.gz RMVKARFENHLQSM-IRXDYDNUSA-N 1 1 399.878 3.842 20 5 GHBDMO O=[N+]([O-])c1ccc(Cn2cc(C[NH2+][C@H]3CCc4ccccc43)nn2)c(Cl)c1 ZINC000603219001 860565841 /nfs/dbraw/zinc/56/58/41/860565841.db2.gz QLHKTZZMCOJQRQ-IBGZPJMESA-N 1 1 383.839 3.665 20 5 GHBDMO COc1ccc(OC2CC[NH+](Cn3nc(C)c4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000761288901 860589888 /nfs/dbraw/zinc/58/98/88/860589888.db2.gz WWPZANZTYQMDOH-UHFFFAOYSA-N 1 1 396.447 3.762 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000156103195 860682635 /nfs/dbraw/zinc/68/26/35/860682635.db2.gz JPSDBMYLAHWBJJ-NRFANRHFSA-N 1 1 397.475 3.941 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599204149 860917834 /nfs/dbraw/zinc/91/78/34/860917834.db2.gz SSJJVSAGPYJXTM-XLIONFOSSA-N 1 1 386.496 3.501 20 5 GHBDMO CNc1ccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000603664224 861016155 /nfs/dbraw/zinc/01/61/55/861016155.db2.gz QCUXOWOEZGVFDW-MRXNPFEDSA-N 1 1 396.491 3.941 20 5 GHBDMO Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000302027889 861175056 /nfs/dbraw/zinc/17/50/56/861175056.db2.gz QXBUYFZSJGOJCI-UHFFFAOYSA-N 1 1 392.459 3.896 20 5 GHBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444005964 863135303 /nfs/dbraw/zinc/13/53/03/863135303.db2.gz ZQTNEVSIXXCSGV-AWEZNQCLSA-N 1 1 399.441 3.564 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC[N@H+]1C ZINC000444086642 863357992 /nfs/dbraw/zinc/35/79/92/863357992.db2.gz JMEHWPJCRCFZFH-GXTWGEPZSA-N 1 1 399.441 3.514 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC001126576192 863539158 /nfs/dbraw/zinc/53/91/58/863539158.db2.gz LDVTUZXBHIKUBH-HXUWFJFHSA-N 1 1 399.516 3.982 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](COCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000444162988 863570634 /nfs/dbraw/zinc/57/06/34/863570634.db2.gz AJRMYWYVNOIYGF-MJGOQNOKSA-N 1 1 397.475 3.769 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001126576954 863592184 /nfs/dbraw/zinc/59/21/84/863592184.db2.gz UXHQWLFOWKAPPF-GOSISDBHSA-N 1 1 389.402 3.782 20 5 GHBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000522873361 863617204 /nfs/dbraw/zinc/61/72/04/863617204.db2.gz XSVYCRVRYYRIPL-LJQANCHMSA-N 1 1 379.460 3.786 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000522882183 863652859 /nfs/dbraw/zinc/65/28/59/863652859.db2.gz KKRDUAHAIWSBLT-MRXNPFEDSA-N 1 1 382.247 3.934 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000143243355 863707468 /nfs/dbraw/zinc/70/74/68/863707468.db2.gz JRFMKKARGSJPBM-AWEZNQCLSA-N 1 1 396.472 3.886 20 5 GHBDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000444234471 863716442 /nfs/dbraw/zinc/71/64/42/863716442.db2.gz DMPXRDPNCNNZMG-MRXNPFEDSA-N 1 1 399.447 3.524 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)OC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594058907 863941048 /nfs/dbraw/zinc/94/10/48/863941048.db2.gz ULDGPWDOZSXMRY-OAHLLOKOSA-N 1 1 375.469 3.655 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172898800 864096013 /nfs/dbraw/zinc/09/60/13/864096013.db2.gz YRKCAFASKZLKBX-SFHVURJKSA-N 1 1 393.447 3.527 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000843800615 864107846 /nfs/dbraw/zinc/10/78/46/864107846.db2.gz UBYLBJFEYFMJML-GOEBONIOSA-N 1 1 377.460 3.769 20 5 GHBDMO CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000475109419 864188390 /nfs/dbraw/zinc/18/83/90/864188390.db2.gz QUXGOJZCFSWFIJ-FUHWJXTLSA-N 1 1 397.475 3.901 20 5 GHBDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000523007596 864434743 /nfs/dbraw/zinc/43/47/43/864434743.db2.gz RQTZTNIYUDHYDB-RDTXWAMCSA-N 1 1 378.856 3.551 20 5 GHBDMO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000734852455 864480628 /nfs/dbraw/zinc/48/06/28/864480628.db2.gz UUGOQWJIGCOVRI-QGZVFWFLSA-N 1 1 381.461 3.984 20 5 GHBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000554600278 864611326 /nfs/dbraw/zinc/61/13/26/864611326.db2.gz GNQMZKHGBSOJMU-AWEZNQCLSA-N 1 1 398.301 3.612 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792901424 881787032 /nfs/dbraw/zinc/78/70/32/881787032.db2.gz CELKPQYUWZAUIC-ZBFHGGJFSA-N 1 1 386.279 3.748 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000554641608 864645964 /nfs/dbraw/zinc/64/59/64/864645964.db2.gz LNFGVBLNOBXONT-ZNLUXHQJSA-N 1 1 395.503 3.943 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475286506 864715456 /nfs/dbraw/zinc/71/54/56/864715456.db2.gz QIUNDMWHRKSYFM-MRXNPFEDSA-N 1 1 392.374 3.545 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475286506 864715464 /nfs/dbraw/zinc/71/54/64/864715464.db2.gz QIUNDMWHRKSYFM-MRXNPFEDSA-N 1 1 392.374 3.545 20 5 GHBDMO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554846902 865035410 /nfs/dbraw/zinc/03/54/10/865035410.db2.gz LKKUGMROTGWOCO-UHFFFAOYSA-N 1 1 393.846 3.520 20 5 GHBDMO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554846902 865035419 /nfs/dbraw/zinc/03/54/19/865035419.db2.gz LKKUGMROTGWOCO-UHFFFAOYSA-N 1 1 393.846 3.520 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000554848180 865036650 /nfs/dbraw/zinc/03/66/50/865036650.db2.gz IXKPUYRNGUKQMI-UHFFFAOYSA-N 1 1 381.476 3.895 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)c3cccc([N+](=O)[O-])c3C)CC[N@H+]2C)cc1 ZINC000735905783 865046387 /nfs/dbraw/zinc/04/63/87/865046387.db2.gz WAIDFBOHAQNMOY-OXQOHEQNSA-N 1 1 384.432 3.762 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000063619373 865065122 /nfs/dbraw/zinc/06/51/22/865065122.db2.gz LAQYCGWSKXTVQQ-LJQANCHMSA-N 1 1 383.448 3.996 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000063619373 865065136 /nfs/dbraw/zinc/06/51/36/865065136.db2.gz LAQYCGWSKXTVQQ-LJQANCHMSA-N 1 1 383.448 3.996 20 5 GHBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000792951413 881843523 /nfs/dbraw/zinc/84/35/23/881843523.db2.gz VWHXIKCUWDWRHV-GFCCVEGCSA-N 1 1 382.869 3.893 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000554961363 865220121 /nfs/dbraw/zinc/22/01/21/865220121.db2.gz JPWNNNGXMAKXBC-GOSISDBHSA-N 1 1 397.475 3.730 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594197512 865338184 /nfs/dbraw/zinc/33/81/84/865338184.db2.gz OWBYDAMUASLMOL-IRXDYDNUSA-N 1 1 377.510 3.844 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128485647 865527370 /nfs/dbraw/zinc/52/73/70/865527370.db2.gz QBGRVOJZYHAXAS-SFHVURJKSA-N 1 1 387.411 3.908 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+]([C@H]4CCc5ccc(F)cc54)CC3)nc2c1 ZINC000481176497 865926905 /nfs/dbraw/zinc/92/69/05/865926905.db2.gz OSZVCZOKVPSHPL-FQEVSTJZSA-N 1 1 395.438 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCCc4ccsc4)CC3)nc2c1 ZINC000481177052 865928985 /nfs/dbraw/zinc/92/89/85/865928985.db2.gz PUBPRZKRPXHAAQ-UHFFFAOYSA-N 1 1 385.493 3.678 20 5 GHBDMO Cc1nn(C[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000741240116 866335118 /nfs/dbraw/zinc/33/51/18/866335118.db2.gz INNQDYLIVUSOEO-UHFFFAOYSA-N 1 1 393.285 3.792 20 5 GHBDMO Cc1nn(C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000741240116 866335132 /nfs/dbraw/zinc/33/51/32/866335132.db2.gz INNQDYLIVUSOEO-UHFFFAOYSA-N 1 1 393.285 3.792 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475577939 866390083 /nfs/dbraw/zinc/39/00/83/866390083.db2.gz JSDMTIXDSTVNQU-GOSISDBHSA-N 1 1 388.411 3.638 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475574541 866394978 /nfs/dbraw/zinc/39/49/78/866394978.db2.gz OPTMAPXEKWUJBY-SFHVURJKSA-N 1 1 384.432 3.792 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000475580346 866398115 /nfs/dbraw/zinc/39/81/15/866398115.db2.gz YHYHTFGSTGXBHL-MRXNPFEDSA-N 1 1 386.448 3.956 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000456316400 866418781 /nfs/dbraw/zinc/41/87/81/866418781.db2.gz ACQMQHIDRGQPKW-MRXNPFEDSA-N 1 1 399.516 3.911 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248774763 866491917 /nfs/dbraw/zinc/49/19/17/866491917.db2.gz WARHCOZMZFAHHT-QKKBWIMNSA-N 1 1 392.415 3.837 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248774763 866491926 /nfs/dbraw/zinc/49/19/26/866491926.db2.gz WARHCOZMZFAHHT-QKKBWIMNSA-N 1 1 392.415 3.837 20 5 GHBDMO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440494410 866997364 /nfs/dbraw/zinc/99/73/64/866997364.db2.gz LVVAANGJNQUDJM-GOEBONIOSA-N 1 1 379.420 3.892 20 5 GHBDMO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440494410 866997370 /nfs/dbraw/zinc/99/73/70/866997370.db2.gz LVVAANGJNQUDJM-GOEBONIOSA-N 1 1 379.420 3.892 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000553272947 867078872 /nfs/dbraw/zinc/07/88/72/867078872.db2.gz VDYAGXHTSLCWII-OAHLLOKOSA-N 1 1 398.463 3.620 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])c1 ZINC000920337483 882056634 /nfs/dbraw/zinc/05/66/34/882056634.db2.gz AZIMRHVBNCOFQC-LUAWRHEFSA-N 1 1 383.448 3.845 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1cccs1 ZINC000444829894 867279189 /nfs/dbraw/zinc/27/91/89/867279189.db2.gz PZWVYQDTQRGSBR-GOSISDBHSA-N 1 1 391.496 3.776 20 5 GHBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000742485048 867336816 /nfs/dbraw/zinc/33/68/16/867336816.db2.gz IXUFDTGQNZCFEM-IMTHGLKYSA-N 1 1 379.460 3.636 20 5 GHBDMO CC(=O)c1cc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000553582998 867728590 /nfs/dbraw/zinc/72/85/90/867728590.db2.gz GKZRPIUVEJKQBI-GOSISDBHSA-N 1 1 385.489 3.827 20 5 GHBDMO CC(=O)c1cc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000553582998 867728599 /nfs/dbraw/zinc/72/85/99/867728599.db2.gz GKZRPIUVEJKQBI-GOSISDBHSA-N 1 1 385.489 3.827 20 5 GHBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c2C1 ZINC000535078498 868121762 /nfs/dbraw/zinc/12/17/62/868121762.db2.gz LGLMHHPWRUTCFV-UHFFFAOYSA-N 1 1 383.404 3.547 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)c3cc(C)ccc3[N+](=O)[O-])CC[N@H+]2C)cc1 ZINC000744152725 868628128 /nfs/dbraw/zinc/62/81/28/868628128.db2.gz OWWBJARNEHRYMC-OXJNMPFZSA-N 1 1 384.432 3.762 20 5 GHBDMO COc1cc(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000479863604 868659304 /nfs/dbraw/zinc/65/93/04/868659304.db2.gz UTDPHTVHFFHKEB-HNNXBMFYSA-N 1 1 385.464 3.552 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000029828889 868791061 /nfs/dbraw/zinc/79/10/61/868791061.db2.gz CTYXZICKABAVPY-OAHLLOKOSA-N 1 1 394.431 3.944 20 5 GHBDMO COc1cc(Cc2noc([C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445824525 869036724 /nfs/dbraw/zinc/03/67/24/869036724.db2.gz MYBAPPRWTORPOM-XQQFMLRXSA-N 1 1 390.440 3.520 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000539427818 869114495 /nfs/dbraw/zinc/11/44/95/869114495.db2.gz DORQVPMJSGYOHB-KRWDZBQOSA-N 1 1 399.495 3.568 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000539427818 869114502 /nfs/dbraw/zinc/11/45/02/869114502.db2.gz DORQVPMJSGYOHB-KRWDZBQOSA-N 1 1 399.495 3.568 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000539427818 869114508 /nfs/dbraw/zinc/11/45/08/869114508.db2.gz DORQVPMJSGYOHB-KRWDZBQOSA-N 1 1 399.495 3.568 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000539427818 869114515 /nfs/dbraw/zinc/11/45/15/869114515.db2.gz DORQVPMJSGYOHB-KRWDZBQOSA-N 1 1 399.495 3.568 20 5 GHBDMO C[C@@H]1C[NH+](CCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000491262453 869276713 /nfs/dbraw/zinc/27/67/13/869276713.db2.gz YRMWXGOAUXQXDA-JBYIUTFZSA-N 1 1 383.492 3.773 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475701791 882290983 /nfs/dbraw/zinc/29/09/83/882290983.db2.gz ZVUHQABJVPWONW-MRXNPFEDSA-N 1 1 386.448 3.518 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000462426227 869421536 /nfs/dbraw/zinc/42/15/36/869421536.db2.gz JQZLLKOWBKBOGN-OAQYLSRUSA-N 1 1 395.503 3.550 20 5 GHBDMO CC[C@@]1(O)CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000428438835 869654340 /nfs/dbraw/zinc/65/43/40/869654340.db2.gz OFTWCJISOAOEDV-JOCHJYFZSA-N 1 1 392.459 3.794 20 5 GHBDMO COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)ccc1OC(F)F ZINC000539803586 869810677 /nfs/dbraw/zinc/81/06/77/869810677.db2.gz SCPVUQVNEOABAH-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)ccc1OC(F)F ZINC000539803586 869810690 /nfs/dbraw/zinc/81/06/90/869810690.db2.gz SCPVUQVNEOABAH-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000539828413 869862427 /nfs/dbraw/zinc/86/24/27/869862427.db2.gz GYEJYRSMWOQLRD-UHFFFAOYSA-N 1 1 396.399 3.695 20 5 GHBDMO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000539828413 869862438 /nfs/dbraw/zinc/86/24/38/869862438.db2.gz GYEJYRSMWOQLRD-UHFFFAOYSA-N 1 1 396.399 3.695 20 5 GHBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000746107022 870049920 /nfs/dbraw/zinc/04/99/20/870049920.db2.gz VRWHFIKMSAVRTL-GJZGRUSLSA-N 1 1 397.431 3.625 20 5 GHBDMO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000441073510 870154155 /nfs/dbraw/zinc/15/41/55/870154155.db2.gz SGHAGORZAYEYNH-JTSKRJEESA-N 1 1 376.460 3.870 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ccc1[N+](=O)[O-] ZINC000462837955 870188378 /nfs/dbraw/zinc/18/83/78/870188378.db2.gz RAFNWNOGXUMEJG-CQSZACIVSA-N 1 1 377.391 3.958 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ccc1[N+](=O)[O-] ZINC000462837955 870188383 /nfs/dbraw/zinc/18/83/83/870188383.db2.gz RAFNWNOGXUMEJG-CQSZACIVSA-N 1 1 377.391 3.958 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461471066 870256586 /nfs/dbraw/zinc/25/65/86/870256586.db2.gz MJFLDMLBBHXFQF-SFHVURJKSA-N 1 1 399.466 3.695 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C)(c2ccccc2)CC1 ZINC001192282305 870263312 /nfs/dbraw/zinc/26/33/12/870263312.db2.gz HISDECHSQUQCAG-MRXNPFEDSA-N 1 1 397.475 3.984 20 5 GHBDMO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746358070 870541701 /nfs/dbraw/zinc/54/17/01/870541701.db2.gz YSERYCNQOLTTLX-SZRHCGQDSA-N 1 1 379.460 3.731 20 5 GHBDMO CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000525408857 870642095 /nfs/dbraw/zinc/64/20/95/870642095.db2.gz PYDKBALMZVKGMQ-KBAYOESNSA-N 1 1 386.452 3.670 20 5 GHBDMO CCNc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000441153148 870664862 /nfs/dbraw/zinc/66/48/62/870664862.db2.gz IELYJJFFSRXQCH-SFHVURJKSA-N 1 1 396.491 3.621 20 5 GHBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804274841 870717120 /nfs/dbraw/zinc/71/71/20/870717120.db2.gz RIJYOTBTLAQSNQ-KTZABMDBSA-N 1 1 391.427 3.848 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000593053930 882444408 /nfs/dbraw/zinc/44/44/08/882444408.db2.gz OOXCMWZIWWTVPI-CQSZACIVSA-N 1 1 388.411 3.637 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000593053930 882444415 /nfs/dbraw/zinc/44/44/15/882444415.db2.gz OOXCMWZIWWTVPI-CQSZACIVSA-N 1 1 388.411 3.637 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000540236866 870822166 /nfs/dbraw/zinc/82/21/66/870822166.db2.gz MRPJXPNWJWPROC-UHFFFAOYSA-N 1 1 391.512 3.580 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765312 870843581 /nfs/dbraw/zinc/84/35/81/870843581.db2.gz PWSJLVRIJXIDDJ-UWJYYQICSA-N 1 1 383.492 3.971 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000447061362 870938251 /nfs/dbraw/zinc/93/82/51/870938251.db2.gz SIPAJRCANDDXIZ-UHFFFAOYSA-N 1 1 393.390 3.943 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169010260 871093987 /nfs/dbraw/zinc/09/39/87/871093987.db2.gz BYYKBTNGZVIKQN-YRXWBPOGSA-N 1 1 395.544 3.791 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1c1ccccc1 ZINC001169038383 871116758 /nfs/dbraw/zinc/11/67/58/871116758.db2.gz YJVQAKITZFHCRB-QRQLOZEOSA-N 1 1 389.496 3.726 20 5 GHBDMO CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169046317 871127685 /nfs/dbraw/zinc/12/76/85/871127685.db2.gz KLGMXARKKMKGDQ-RDTXWAMCSA-N 1 1 375.469 3.837 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443326063 871173991 /nfs/dbraw/zinc/17/39/91/871173991.db2.gz JAVONZCDQYXYRU-UHFFFAOYSA-N 1 1 375.469 3.655 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000122352380 871269926 /nfs/dbraw/zinc/26/99/26/871269926.db2.gz KUJCOCILGCYMFT-UHFFFAOYSA-N 1 1 396.491 3.964 20 5 GHBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000525779239 871423509 /nfs/dbraw/zinc/42/35/09/871423509.db2.gz QJIMUFSKVZQFLF-HNNXBMFYSA-N 1 1 387.402 3.608 20 5 GHBDMO C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000447352008 871460704 /nfs/dbraw/zinc/46/07/04/871460704.db2.gz VRXGICHNCPVAHC-NSHDSACASA-N 1 1 399.357 3.705 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000618302222 871496187 /nfs/dbraw/zinc/49/61/87/871496187.db2.gz DMPVHMXPRZUXAN-SFHVURJKSA-N 1 1 382.420 3.501 20 5 GHBDMO O=C(NCc1ccccc1)[C@H](Cc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000540613645 871722687 /nfs/dbraw/zinc/72/26/87/871722687.db2.gz FXKFRLDVXILYSJ-IBGZPJMESA-N 1 1 395.484 3.674 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000447668198 872112057 /nfs/dbraw/zinc/11/20/57/872112057.db2.gz MJGAZOWWRGHYMB-UHFFFAOYSA-N 1 1 393.241 3.504 20 5 GHBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)nc1 ZINC000182281889 872133615 /nfs/dbraw/zinc/13/36/15/872133615.db2.gz RFDIYKWPXWNNGZ-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000619450820 872668469 /nfs/dbraw/zinc/66/84/69/872668469.db2.gz ISKUPHOLONSQEP-UHFFFAOYSA-N 1 1 375.494 3.621 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H]2CCCC[C@H]12 ZINC001195902990 872744879 /nfs/dbraw/zinc/74/48/79/872744879.db2.gz QMHXPPINQMYEBI-QRVBRYPASA-N 1 1 390.480 3.936 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475714448 882649445 /nfs/dbraw/zinc/64/94/45/882649445.db2.gz IGXCUFIZNAFXHC-YJBOKZPZSA-N 1 1 384.432 3.525 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+](Cc2cccs2)CC1 ZINC000768198273 873134497 /nfs/dbraw/zinc/13/44/97/873134497.db2.gz RBHYFFKHGLOUAY-UHFFFAOYSA-N 1 1 396.310 3.737 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000768178001 873147012 /nfs/dbraw/zinc/14/70/12/873147012.db2.gz BKXNVXOTOJTHNL-ZDUSSCGKSA-N 1 1 393.237 3.629 20 5 GHBDMO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000768178001 873147024 /nfs/dbraw/zinc/14/70/24/873147024.db2.gz BKXNVXOTOJTHNL-ZDUSSCGKSA-N 1 1 393.237 3.629 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H](OC2CCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001197070248 873577368 /nfs/dbraw/zinc/57/73/68/873577368.db2.gz WIBJPQLDNSLWEW-HNNXBMFYSA-N 1 1 381.860 3.610 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H](OC2CCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001197070248 873577370 /nfs/dbraw/zinc/57/73/70/873577370.db2.gz WIBJPQLDNSLWEW-HNNXBMFYSA-N 1 1 381.860 3.610 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001197169050 873636416 /nfs/dbraw/zinc/63/64/16/873636416.db2.gz VAUFRBYUMUWGGA-PBHICJAKSA-N 1 1 393.459 3.955 20 5 GHBDMO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)nc1 ZINC000858039863 882768063 /nfs/dbraw/zinc/76/80/63/882768063.db2.gz KOFFAUQVYCTEBR-HNNXBMFYSA-N 1 1 381.354 3.970 20 5 GHBDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)nc1 ZINC000858039863 882768071 /nfs/dbraw/zinc/76/80/71/882768071.db2.gz KOFFAUQVYCTEBR-HNNXBMFYSA-N 1 1 381.354 3.970 20 5 GHBDMO C[C@H]([NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC001197506940 873876538 /nfs/dbraw/zinc/87/65/38/873876538.db2.gz PWILICKGIACLCE-INIZCTEOSA-N 1 1 383.492 3.902 20 5 GHBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001197671274 873959390 /nfs/dbraw/zinc/95/93/90/873959390.db2.gz GTXKFDBTVYMDKI-CQSZACIVSA-N 1 1 397.447 3.574 20 5 GHBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001197671274 873959397 /nfs/dbraw/zinc/95/93/97/873959397.db2.gz GTXKFDBTVYMDKI-CQSZACIVSA-N 1 1 397.447 3.574 20 5 GHBDMO O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000921273890 882795022 /nfs/dbraw/zinc/79/50/22/882795022.db2.gz MJQKEOHMMJAEHI-KRWDZBQOSA-N 1 1 384.505 3.793 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769516338 874123744 /nfs/dbraw/zinc/12/37/44/874123744.db2.gz SULYERYDZBKFOY-AWEZNQCLSA-N 1 1 382.302 3.521 20 5 GHBDMO CC(C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccn1 ZINC001198002680 874156130 /nfs/dbraw/zinc/15/61/30/874156130.db2.gz WTKBJGZBVYNXTJ-UHFFFAOYSA-N 1 1 376.844 3.740 20 5 GHBDMO CC(C)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccn1 ZINC001198002680 874156137 /nfs/dbraw/zinc/15/61/37/874156137.db2.gz WTKBJGZBVYNXTJ-UHFFFAOYSA-N 1 1 376.844 3.740 20 5 GHBDMO O=C1[C@@H]([N@H+]2CC[C@@H](CSc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000464766668 874458816 /nfs/dbraw/zinc/45/88/16/874458816.db2.gz UWVXULBHFXBKOO-UZLBHIALSA-N 1 1 397.500 3.814 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000449367913 874766776 /nfs/dbraw/zinc/76/67/76/874766776.db2.gz ZWBCSUMYVOXURN-DNVCBOLYSA-N 1 1 380.473 3.897 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+](CCO)C3CCSCC3)o2)c([N+](=O)[O-])c1 ZINC000449683529 875236727 /nfs/dbraw/zinc/23/67/27/875236727.db2.gz JADGOWAZYUQGHE-UHFFFAOYSA-N 1 1 392.477 3.553 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCCc1ccccc1 ZINC001202408859 876180669 /nfs/dbraw/zinc/18/06/69/876180669.db2.gz SYBWZPDQGCKIJF-INIZCTEOSA-N 1 1 393.443 3.692 20 5 GHBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000450385320 876360836 /nfs/dbraw/zinc/36/08/36/876360836.db2.gz CBGLILJJCSPVIL-KUHUBIRLSA-N 1 1 382.464 3.605 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000746639078 877175114 /nfs/dbraw/zinc/17/51/14/877175114.db2.gz CQZTVRCQYYVSKX-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285260695 912224417 /nfs/dbraw/zinc/22/44/17/912224417.db2.gz HWHXLMIKAPQYIM-CYBMUJFWSA-N 1 1 397.391 3.789 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285260695 912224428 /nfs/dbraw/zinc/22/44/28/912224428.db2.gz HWHXLMIKAPQYIM-CYBMUJFWSA-N 1 1 397.391 3.789 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000067977723 877710481 /nfs/dbraw/zinc/71/04/81/877710481.db2.gz LLZNVKBROSACTM-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000067977723 877710490 /nfs/dbraw/zinc/71/04/90/877710490.db2.gz LLZNVKBROSACTM-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO NC(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000179807128 878042309 /nfs/dbraw/zinc/04/23/09/878042309.db2.gz CJLFTYMAVCXGCS-HXUWFJFHSA-N 1 1 393.418 3.906 20 5 GHBDMO CN(C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)C(=O)OC(C)(C)C ZINC000788475957 878090084 /nfs/dbraw/zinc/09/00/84/878090084.db2.gz JRSPVTVWBRUQDS-OAHLLOKOSA-N 1 1 381.448 3.813 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)C(=O)OC(C)(C)C ZINC000788475957 878090099 /nfs/dbraw/zinc/09/00/99/878090099.db2.gz JRSPVTVWBRUQDS-OAHLLOKOSA-N 1 1 381.448 3.813 20 5 GHBDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580760 878195386 /nfs/dbraw/zinc/19/53/86/878195386.db2.gz ZYKZESLUSCXTIX-QFIPXVFZSA-N 1 1 394.475 3.871 20 5 GHBDMO CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000776581741 878200555 /nfs/dbraw/zinc/20/05/55/878200555.db2.gz LOMQHCAXSUUDNB-WTOYTKOKSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000776581741 878200574 /nfs/dbraw/zinc/20/05/74/878200574.db2.gz LOMQHCAXSUUDNB-WTOYTKOKSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000776581741 878200594 /nfs/dbraw/zinc/20/05/94/878200594.db2.gz LOMQHCAXSUUDNB-WTOYTKOKSA-N 1 1 383.492 3.786 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1[N+](=O)[O-] ZINC000537857723 878398929 /nfs/dbraw/zinc/39/89/29/878398929.db2.gz PQRMXTLBXPGKFO-CQSZACIVSA-N 1 1 397.353 3.671 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1[N+](=O)[O-] ZINC000537857723 878398944 /nfs/dbraw/zinc/39/89/44/878398944.db2.gz PQRMXTLBXPGKFO-CQSZACIVSA-N 1 1 397.353 3.671 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000530756501 878428240 /nfs/dbraw/zinc/42/82/40/878428240.db2.gz MSWXYJWNILGPLU-MRXNPFEDSA-N 1 1 376.501 3.726 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cccc1[N+](=O)[O-] ZINC000537853465 878432316 /nfs/dbraw/zinc/43/23/16/878432316.db2.gz KYZMJYNPWBPRLZ-OAHLLOKOSA-N 1 1 381.354 3.970 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852596959 878449474 /nfs/dbraw/zinc/44/94/74/878449474.db2.gz PUICKMZIYMVNEU-GLJUWKHASA-N 1 1 395.887 3.856 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852596959 878449479 /nfs/dbraw/zinc/44/94/79/878449479.db2.gz PUICKMZIYMVNEU-GLJUWKHASA-N 1 1 395.887 3.856 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)ccc1Br ZINC000852759863 878582623 /nfs/dbraw/zinc/58/26/23/878582623.db2.gz WYMUYAVLUNDGCF-CALCHBBNSA-N 1 1 381.270 3.750 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)ccc1Br ZINC000852759863 878582635 /nfs/dbraw/zinc/58/26/35/878582635.db2.gz WYMUYAVLUNDGCF-CALCHBBNSA-N 1 1 381.270 3.750 20 5 GHBDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000285612803 912361864 /nfs/dbraw/zinc/36/18/64/912361864.db2.gz YYXJRJSLNHZPOG-HNNXBMFYSA-N 1 1 375.381 3.761 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452121922 878969004 /nfs/dbraw/zinc/96/90/04/878969004.db2.gz HCLFTSIGDWKWCZ-UTKZUKDTSA-N 1 1 397.475 3.677 20 5 GHBDMO CC(=O)NC1CCC([N@@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000542464523 879260399 /nfs/dbraw/zinc/26/03/99/879260399.db2.gz ZGNNCXRMDNFNEK-UHFFFAOYSA-N 1 1 388.493 3.597 20 5 GHBDMO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000789772207 879287436 /nfs/dbraw/zinc/28/74/36/879287436.db2.gz WMMYEBUMFXZJMG-HXUWFJFHSA-N 1 1 394.540 3.993 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000493312180 879373292 /nfs/dbraw/zinc/37/32/92/879373292.db2.gz WXYCMHNQOHNUQI-GOSISDBHSA-N 1 1 396.491 3.800 20 5 GHBDMO CC[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCC(F)(F)F ZINC000493341619 879386998 /nfs/dbraw/zinc/38/69/98/879386998.db2.gz ZBHZYRXFYNXYGC-UHFFFAOYSA-N 1 1 382.770 3.644 20 5 GHBDMO CNc1c(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000461467716 879888553 /nfs/dbraw/zinc/88/85/53/879888553.db2.gz USDBDZNSBNLJGR-GOSISDBHSA-N 1 1 396.491 3.669 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494118562 879915387 /nfs/dbraw/zinc/91/53/87/879915387.db2.gz GCLHILIZDAONKK-OALUTQOASA-N 1 1 389.402 3.827 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494118562 879915396 /nfs/dbraw/zinc/91/53/96/879915396.db2.gz GCLHILIZDAONKK-OALUTQOASA-N 1 1 389.402 3.827 20 5 GHBDMO CC(C)C[N@H+](Cc1ccccc1F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520172646 880013483 /nfs/dbraw/zinc/01/34/83/880013483.db2.gz SFSURTKXYAJTLN-SFHVURJKSA-N 1 1 376.428 3.632 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000520184731 880075404 /nfs/dbraw/zinc/07/54/04/880075404.db2.gz PWEYOQRTUFAXSR-OAHLLOKOSA-N 1 1 377.510 3.700 20 5 GHBDMO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452833942 880117591 /nfs/dbraw/zinc/11/75/91/880117591.db2.gz BKEBQRHZOYBPCE-RTBURBONSA-N 1 1 385.508 3.955 20 5 GHBDMO C[NH+](C)[C@H](c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)c1ccccc1 ZINC000453236546 880663530 /nfs/dbraw/zinc/66/35/30/880663530.db2.gz LIFIPFOCORLMHA-SFHVURJKSA-N 1 1 379.420 3.654 20 5 GHBDMO CCOc1ccc([C@H](C)[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000453289588 880730327 /nfs/dbraw/zinc/73/03/27/880730327.db2.gz TYNDQIDKBNPHBX-LSDHHAIUSA-N 1 1 377.485 3.668 20 5 GHBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+]([C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000453287946 880730758 /nfs/dbraw/zinc/73/07/58/880730758.db2.gz RRHFRAYGRLJCMS-CUDHKJQZSA-N 1 1 393.487 3.587 20 5 GHBDMO CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000520365537 881082415 /nfs/dbraw/zinc/08/24/15/881082415.db2.gz RQCFMTDEZAGMPI-IBGZPJMESA-N 1 1 394.475 3.516 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000609382887 883126202 /nfs/dbraw/zinc/12/62/02/883126202.db2.gz GIQKPVLDXDLDQM-MRXNPFEDSA-N 1 1 397.500 3.960 20 5 GHBDMO CC(C)[N@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350480 883163751 /nfs/dbraw/zinc/16/37/51/883163751.db2.gz JEMZOQYFBIHCRU-UHFFFAOYSA-N 1 1 375.856 3.775 20 5 GHBDMO CC(C)[N@@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350480 883163759 /nfs/dbraw/zinc/16/37/59/883163759.db2.gz JEMZOQYFBIHCRU-UHFFFAOYSA-N 1 1 375.856 3.775 20 5 GHBDMO C[C@@H](NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000476860922 883317194 /nfs/dbraw/zinc/31/71/94/883317194.db2.gz XMQZMJIQLUEYFB-IERDGZPVSA-N 1 1 396.491 3.866 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000609664356 883508448 /nfs/dbraw/zinc/50/84/48/883508448.db2.gz CRFXKJYVISVONH-INIZCTEOSA-N 1 1 382.464 3.752 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609731138 883584506 /nfs/dbraw/zinc/58/45/06/883584506.db2.gz UEBGUEFKVFZULF-UHFFFAOYSA-N 1 1 397.903 3.596 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000609792431 883687031 /nfs/dbraw/zinc/68/70/31/883687031.db2.gz NVOAFYATWGVZSD-QGZVFWFLSA-N 1 1 387.867 3.572 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609793516 883687913 /nfs/dbraw/zinc/68/79/13/883687913.db2.gz BZRGUQCJWGUMGG-UHFFFAOYSA-N 1 1 381.904 3.761 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000805794168 884081850 /nfs/dbraw/zinc/08/18/50/884081850.db2.gz QAZZADLILWYYQQ-FQEVSTJZSA-N 1 1 375.469 3.818 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000805794944 884083511 /nfs/dbraw/zinc/08/35/11/884083511.db2.gz CAWKVOBHCITDFG-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000805794944 884083527 /nfs/dbraw/zinc/08/35/27/884083527.db2.gz CAWKVOBHCITDFG-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859928027 884178433 /nfs/dbraw/zinc/17/84/33/884178433.db2.gz YANCJCOOPXZZCF-YTQUADARSA-N 1 1 393.443 3.628 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccs1 ZINC000026231526 884220106 /nfs/dbraw/zinc/22/01/06/884220106.db2.gz XBLIPYTWMXYAHC-HNNXBMFYSA-N 1 1 375.450 3.831 20 5 GHBDMO CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000494935179 884226912 /nfs/dbraw/zinc/22/69/12/884226912.db2.gz HJXOYOUEOXUWLB-CQSZACIVSA-N 1 1 376.844 3.728 20 5 GHBDMO CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000494935179 884226928 /nfs/dbraw/zinc/22/69/28/884226928.db2.gz HJXOYOUEOXUWLB-CQSZACIVSA-N 1 1 376.844 3.728 20 5 GHBDMO C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498382025 884235629 /nfs/dbraw/zinc/23/56/29/884235629.db2.gz JCYVOMLSOCTQPC-MJGOQNOKSA-N 1 1 395.503 3.899 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000153257637 884309991 /nfs/dbraw/zinc/30/99/91/884309991.db2.gz TWLPFDPKOLSOLD-HNNXBMFYSA-N 1 1 385.464 3.661 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000194734680 884328705 /nfs/dbraw/zinc/32/87/05/884328705.db2.gz MAHYTQGADYHCDA-WBVHZDCISA-N 1 1 395.459 3.529 20 5 GHBDMO Cc1ccccc1C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000556435728 884913515 /nfs/dbraw/zinc/91/35/15/884913515.db2.gz REFUVQXTYCRORF-UHFFFAOYSA-N 1 1 377.444 3.767 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000532483682 885810304 /nfs/dbraw/zinc/81/03/04/885810304.db2.gz ZDSCIVMGKHTDRJ-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000532483682 885810312 /nfs/dbraw/zinc/81/03/12/885810312.db2.gz ZDSCIVMGKHTDRJ-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000532576538 886154889 /nfs/dbraw/zinc/15/48/89/886154889.db2.gz BJCYEVSQWLENOT-QAPCUYQASA-N 1 1 383.448 3.668 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000532576538 886154897 /nfs/dbraw/zinc/15/48/97/886154897.db2.gz BJCYEVSQWLENOT-QAPCUYQASA-N 1 1 383.448 3.668 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)cc1 ZINC000487940236 886254376 /nfs/dbraw/zinc/25/43/76/886254376.db2.gz GAIROJVEWXTFNA-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000862435215 886378048 /nfs/dbraw/zinc/37/80/48/886378048.db2.gz RQMKVEIRPAVQLA-LLVKDONJSA-N 1 1 383.157 3.991 20 5 GHBDMO CSc1ccc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000556879185 886470529 /nfs/dbraw/zinc/47/05/29/886470529.db2.gz FAKKAMCTOGMBBC-IBGZPJMESA-N 1 1 382.489 3.972 20 5 GHBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC001127363583 886565149 /nfs/dbraw/zinc/56/51/49/886565149.db2.gz BEHNQAKVRTZTFR-UHFFFAOYSA-N 1 1 391.309 3.755 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000863273133 886989458 /nfs/dbraw/zinc/98/94/58/886989458.db2.gz LQVJLAFOQDRXRS-AWEZNQCLSA-N 1 1 387.390 3.763 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000863273133 886989464 /nfs/dbraw/zinc/98/94/64/886989464.db2.gz LQVJLAFOQDRXRS-AWEZNQCLSA-N 1 1 387.390 3.763 20 5 GHBDMO COc1cccc2c1CC[N@H+]([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000193724359 887304066 /nfs/dbraw/zinc/30/40/66/887304066.db2.gz PULUQGIKPARDGL-AWEZNQCLSA-N 1 1 394.431 3.815 20 5 GHBDMO C[C@H](O)C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000272481633 887562814 /nfs/dbraw/zinc/56/28/14/887562814.db2.gz CBUMILMZXOHITF-SCWSEQNSSA-N 1 1 394.475 3.562 20 5 GHBDMO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272489182 887576959 /nfs/dbraw/zinc/57/69/59/887576959.db2.gz DNXQHDTYFALGSY-CDHQVMDDSA-N 1 1 380.448 3.520 20 5 GHBDMO CCC[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@@H]1CCCc2cccnc21 ZINC000794644055 887672625 /nfs/dbraw/zinc/67/26/25/887672625.db2.gz XNXXREFOZFBLLM-OAHLLOKOSA-N 1 1 382.420 3.645 20 5 GHBDMO CCC[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@@H]1CCCc2cccnc21 ZINC000794644055 887672632 /nfs/dbraw/zinc/67/26/32/887672632.db2.gz XNXXREFOZFBLLM-OAHLLOKOSA-N 1 1 382.420 3.645 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794640782 887672828 /nfs/dbraw/zinc/67/28/28/887672828.db2.gz SECJTPNECUOQAN-GUYCJALGSA-N 1 1 383.404 3.552 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794640782 887672832 /nfs/dbraw/zinc/67/28/32/887672832.db2.gz SECJTPNECUOQAN-GUYCJALGSA-N 1 1 383.404 3.552 20 5 GHBDMO C[C@]1(C[C@@H]2CCC[N@H+]2Cc2c3ccccc3cc3ccccc32)NC(=O)NC1=O ZINC000809704785 887725345 /nfs/dbraw/zinc/72/53/45/887725345.db2.gz JIMPVPMHNUEXOW-MHECFPHRSA-N 1 1 387.483 3.946 20 5 GHBDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809770308 887758707 /nfs/dbraw/zinc/75/87/07/887758707.db2.gz VYNCZRSRAKKLHD-MGPUTAFESA-N 1 1 390.867 3.790 20 5 GHBDMO Cc1[nH+]ccn1CCCN(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000120222678 887991954 /nfs/dbraw/zinc/99/19/54/887991954.db2.gz GRNBNZGSACKRCK-UHFFFAOYSA-N 1 1 387.318 3.553 20 5 GHBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[N@@H+](C)Cc1ccccc1 ZINC000809919256 888002414 /nfs/dbraw/zinc/00/24/14/888002414.db2.gz ZAMAZBOWZSVQSH-ZDUSSCGKSA-N 1 1 376.844 3.890 20 5 GHBDMO COc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194413885 888305650 /nfs/dbraw/zinc/30/56/50/888305650.db2.gz RRKTWAYNJOXQBW-FUHWJXTLSA-N 1 1 397.475 3.729 20 5 GHBDMO Cc1nn(C)c(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301108725 888392445 /nfs/dbraw/zinc/39/24/45/888392445.db2.gz NVWSBLTVJSVPIE-AWEZNQCLSA-N 1 1 381.839 3.678 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000810589275 888668088 /nfs/dbraw/zinc/66/80/88/888668088.db2.gz GESYTOOMGBTHMX-LJQANCHMSA-N 1 1 391.399 3.506 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)C1 ZINC000916425371 888983169 /nfs/dbraw/zinc/98/31/69/888983169.db2.gz LYNRGHLHPJLYEU-CQSZACIVSA-N 1 1 398.419 3.987 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000532795695 889003441 /nfs/dbraw/zinc/00/34/41/889003441.db2.gz QHXWIZNTGBGZKR-PXNSSMCTSA-N 1 1 396.491 3.695 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nc1 ZINC000153986179 889011293 /nfs/dbraw/zinc/01/12/93/889011293.db2.gz HJZOKQZXCBKAEJ-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nc1 ZINC000153986179 889011306 /nfs/dbraw/zinc/01/13/06/889011306.db2.gz HJZOKQZXCBKAEJ-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000532821332 889014056 /nfs/dbraw/zinc/01/40/56/889014056.db2.gz MHICZSQPZSEEET-UHFFFAOYSA-N 1 1 380.448 3.717 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000532926624 889294670 /nfs/dbraw/zinc/29/46/70/889294670.db2.gz XUEBBTROEMBNAO-GFCCVEGCSA-N 1 1 393.390 3.903 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000532926624 889294681 /nfs/dbraw/zinc/29/46/81/889294681.db2.gz XUEBBTROEMBNAO-GFCCVEGCSA-N 1 1 393.390 3.903 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000811467338 889627353 /nfs/dbraw/zinc/62/73/53/889627353.db2.gz KJZBGYJANVPJHT-WBVHZDCISA-N 1 1 390.461 3.531 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000795098139 890174762 /nfs/dbraw/zinc/17/47/62/890174762.db2.gz CHIVJVKZEAYVJW-FUHWJXTLSA-N 1 1 375.469 3.735 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000533299442 890246713 /nfs/dbraw/zinc/24/67/13/890246713.db2.gz BEMDKZUBJJFEGA-QGZVFWFLSA-N 1 1 385.439 3.936 20 5 GHBDMO COc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000455108575 890360330 /nfs/dbraw/zinc/36/03/30/890360330.db2.gz UQYDKECFENCMGW-MRXNPFEDSA-N 1 1 398.463 3.589 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000795131120 890417483 /nfs/dbraw/zinc/41/74/83/890417483.db2.gz MJGHPZZUDKKBOE-BBRMVZONSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000795131120 890417494 /nfs/dbraw/zinc/41/74/94/890417494.db2.gz MJGHPZZUDKKBOE-BBRMVZONSA-N 1 1 379.432 3.565 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000747839622 891297399 /nfs/dbraw/zinc/29/73/99/891297399.db2.gz IPOMCVDANQAJIQ-UHFFFAOYSA-N 1 1 393.484 3.730 20 5 GHBDMO CC[C@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(OC)cc1 ZINC000813170615 891328955 /nfs/dbraw/zinc/32/89/55/891328955.db2.gz RAONHOXOCPMTQN-SFTDATJTSA-N 1 1 398.459 3.915 20 5 GHBDMO CC[C@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(OC)cc1 ZINC000813170615 891328969 /nfs/dbraw/zinc/32/89/69/891328969.db2.gz RAONHOXOCPMTQN-SFTDATJTSA-N 1 1 398.459 3.915 20 5 GHBDMO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172645 891331859 /nfs/dbraw/zinc/33/18/59/891331859.db2.gz MDAVUYXMHNHBJV-KSZLIROESA-N 1 1 386.473 3.886 20 5 GHBDMO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172645 891331871 /nfs/dbraw/zinc/33/18/71/891331871.db2.gz MDAVUYXMHNHBJV-KSZLIROESA-N 1 1 386.473 3.886 20 5 GHBDMO COc1cc(C)c([C@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000614962393 891645884 /nfs/dbraw/zinc/64/58/84/891645884.db2.gz AJHMFFQLWDHADL-KRWDZBQOSA-N 1 1 397.475 3.739 20 5 GHBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC001134144525 892388046 /nfs/dbraw/zinc/38/80/46/892388046.db2.gz QEKXIALNHZWGMD-CQSZACIVSA-N 1 1 391.880 3.833 20 5 GHBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC001134144525 892388064 /nfs/dbraw/zinc/38/80/64/892388064.db2.gz QEKXIALNHZWGMD-CQSZACIVSA-N 1 1 391.880 3.833 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000825797452 892644939 /nfs/dbraw/zinc/64/49/39/892644939.db2.gz WYALRAJPROVPIY-CQSZACIVSA-N 1 1 375.856 3.807 20 5 GHBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194534295 892926712 /nfs/dbraw/zinc/92/67/12/892926712.db2.gz MVKDTQVVDZNXEV-INIZCTEOSA-N 1 1 385.464 3.634 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000814645200 893037282 /nfs/dbraw/zinc/03/72/82/893037282.db2.gz YWRSQUPOBOVVJD-UHFFFAOYSA-N 1 1 381.498 3.879 20 5 GHBDMO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154644595 893174038 /nfs/dbraw/zinc/17/40/38/893174038.db2.gz VWBJSQZWKZTAPT-GOSISDBHSA-N 1 1 389.427 3.507 20 5 GHBDMO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154644595 893174046 /nfs/dbraw/zinc/17/40/46/893174046.db2.gz VWBJSQZWKZTAPT-GOSISDBHSA-N 1 1 389.427 3.507 20 5 GHBDMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001134821192 893330136 /nfs/dbraw/zinc/33/01/36/893330136.db2.gz PGSGFLBPRXTJAJ-CEXWTWQISA-N 1 1 379.460 3.625 20 5 GHBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815069420 893413080 /nfs/dbraw/zinc/41/30/80/893413080.db2.gz APFLLRPSGWQOMU-NSHDSACASA-N 1 1 391.390 3.959 20 5 GHBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815069420 893413087 /nfs/dbraw/zinc/41/30/87/893413087.db2.gz APFLLRPSGWQOMU-NSHDSACASA-N 1 1 391.390 3.959 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000563510394 893847711 /nfs/dbraw/zinc/84/77/11/893847711.db2.gz ZKWJVWBQJFDTOS-NEPJUHHUSA-N 1 1 398.301 3.516 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459652492 893987408 /nfs/dbraw/zinc/98/74/08/893987408.db2.gz BYSQQDJDKHPIAQ-INIZCTEOSA-N 1 1 388.386 3.784 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(F)c1 ZINC000459654347 893992248 /nfs/dbraw/zinc/99/22/48/893992248.db2.gz FHROEHVTTONMIG-OAHLLOKOSA-N 1 1 376.350 3.915 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(F)c1 ZINC000459654347 893992255 /nfs/dbraw/zinc/99/22/55/893992255.db2.gz FHROEHVTTONMIG-OAHLLOKOSA-N 1 1 376.350 3.915 20 5 GHBDMO CN(c1ccccc1)C1CC[NH+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878168276 894067992 /nfs/dbraw/zinc/06/79/92/894067992.db2.gz RLWTZJWBIHJISY-UHFFFAOYSA-N 1 1 393.447 3.746 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000935014016 894117715 /nfs/dbraw/zinc/11/77/15/894117715.db2.gz VQTSHXFZVLJVOW-KBXCAEBGSA-N 1 1 391.899 3.656 20 5 GHBDMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000537023849 894229329 /nfs/dbraw/zinc/22/93/29/894229329.db2.gz PGJJUCNKGHDXFL-AWEZNQCLSA-N 1 1 387.436 3.680 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000816453776 894814036 /nfs/dbraw/zinc/81/40/36/894814036.db2.gz UPTRROIJUSRFSZ-UTKZUKDTSA-N 1 1 382.460 3.981 20 5 GHBDMO COc1c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000476086134 895145003 /nfs/dbraw/zinc/14/50/03/895145003.db2.gz XJXJVKOJNNNZPZ-FUHWJXTLSA-N 1 1 397.475 3.729 20 5 GHBDMO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000564840327 895275769 /nfs/dbraw/zinc/27/57/69/895275769.db2.gz AGOWAVDEPUJVFW-MRXNPFEDSA-N 1 1 397.328 3.539 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817288567 895443921 /nfs/dbraw/zinc/44/39/21/895443921.db2.gz XQYKXFVTEHXISJ-UHFFFAOYSA-N 1 1 391.468 3.579 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000565869081 895944868 /nfs/dbraw/zinc/94/48/68/895944868.db2.gz UQOZGNTZQVZRTD-SFHVURJKSA-N 1 1 397.475 3.634 20 5 GHBDMO O=[N+]([O-])c1cc(Cn2cc(C[NH2+][C@H]3CCc4ccccc43)nn2)ccc1Cl ZINC000881227002 896251435 /nfs/dbraw/zinc/25/14/35/896251435.db2.gz FMBDIAIPVKNVCF-SFHVURJKSA-N 1 1 383.839 3.665 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000819224008 896517183 /nfs/dbraw/zinc/51/71/83/896517183.db2.gz SYKGJHYTVIIIRZ-MLDBQTBOSA-N 1 1 395.503 3.519 20 5 GHBDMO Cc1c(Br)cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001136225435 896773392 /nfs/dbraw/zinc/77/33/92/896773392.db2.gz BUKYWYRPBGIMHE-VXGBXAGGSA-N 1 1 398.301 3.516 20 5 GHBDMO COc1ccc2c(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc(=O)oc2c1 ZINC000130995660 897283473 /nfs/dbraw/zinc/28/34/73/897283473.db2.gz BCOCVZJDSVLJFX-UHFFFAOYSA-N 1 1 380.400 3.874 20 5 GHBDMO COc1ccc2c(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc(=O)oc2c1 ZINC000130995660 897283482 /nfs/dbraw/zinc/28/34/82/897283482.db2.gz BCOCVZJDSVLJFX-UHFFFAOYSA-N 1 1 380.400 3.874 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCNc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000567599618 897284360 /nfs/dbraw/zinc/28/43/60/897284360.db2.gz MFRBBJQDKIENQF-IBGZPJMESA-N 1 1 383.427 3.649 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3cc(OC)c(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000820616118 897413244 /nfs/dbraw/zinc/41/32/44/897413244.db2.gz JQWWXBWLWDJMHX-UHFFFAOYSA-N 1 1 385.464 3.633 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001136465891 897976938 /nfs/dbraw/zinc/97/69/38/897976938.db2.gz YJJRUJQUEHAHQV-ICSRJNTNSA-N 1 1 375.513 3.934 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](CNc4ccccn4)C3)o2)c1 ZINC000104681757 898155157 /nfs/dbraw/zinc/15/51/57/898155157.db2.gz NBYZWZJGSISYCM-INIZCTEOSA-N 1 1 393.447 3.621 20 5 GHBDMO CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000569171241 898388532 /nfs/dbraw/zinc/38/85/32/898388532.db2.gz NQVYEFFLOAWNMT-HTAPYJJXSA-N 1 1 395.503 3.897 20 5 GHBDMO CCCc1[nH]nc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1[N+](=O)[O-] ZINC000110056936 898644138 /nfs/dbraw/zinc/64/41/38/898644138.db2.gz ZAUGYUVMRPCOHO-UHFFFAOYSA-N 1 1 396.451 3.891 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823243346 898937658 /nfs/dbraw/zinc/93/76/58/898937658.db2.gz JIQGLEHZJONYQI-AEFFLSMTSA-N 1 1 378.469 3.605 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)o1 ZINC000289722332 914313590 /nfs/dbraw/zinc/31/35/90/914313590.db2.gz PJYZCXOGMANYMM-SWLSCSKDSA-N 1 1 384.354 3.848 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823598250 899122340 /nfs/dbraw/zinc/12/23/40/899122340.db2.gz GUHYDBZXWRUSRI-JLTOFOAXSA-N 1 1 382.420 3.545 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)nc2c1 ZINC000134807332 900124571 /nfs/dbraw/zinc/12/45/71/900124571.db2.gz JOBOSUZEOBKGIW-CRAIPNDOSA-N 1 1 385.395 3.963 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000843860154 900257835 /nfs/dbraw/zinc/25/78/35/900257835.db2.gz XCGACVMKKCDXHA-NRFANRHFSA-N 1 1 385.439 3.827 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000843876176 900277315 /nfs/dbraw/zinc/27/73/15/900277315.db2.gz JTUSLRKZZNXSBA-NRFANRHFSA-N 1 1 385.439 3.684 20 5 GHBDMO C[C@@]1(CNc2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+](Cc2ccccc2)C1 ZINC001186316224 914468219 /nfs/dbraw/zinc/46/82/19/914468219.db2.gz PXPPNYYGRCAOIM-NRFANRHFSA-N 1 1 377.448 3.862 20 5 GHBDMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000046981014 901211927 /nfs/dbraw/zinc/21/19/27/901211927.db2.gz DYWCDGAUIUICQN-SFHVURJKSA-N 1 1 396.472 3.514 20 5 GHBDMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000046981014 901211939 /nfs/dbraw/zinc/21/19/39/901211939.db2.gz DYWCDGAUIUICQN-SFHVURJKSA-N 1 1 396.472 3.514 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000575628786 901253286 /nfs/dbraw/zinc/25/32/86/901253286.db2.gz ZCLJESDPMWBOLM-MRXNPFEDSA-N 1 1 382.464 3.895 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000575628786 901253300 /nfs/dbraw/zinc/25/33/00/901253300.db2.gz ZCLJESDPMWBOLM-MRXNPFEDSA-N 1 1 382.464 3.895 20 5 GHBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000576218617 901827500 /nfs/dbraw/zinc/82/75/00/901827500.db2.gz MVDSWJICOIWXAT-HNNXBMFYSA-N 1 1 385.489 3.818 20 5 GHBDMO COc1cc(C[N@@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000778947550 902069675 /nfs/dbraw/zinc/06/96/75/902069675.db2.gz WNJHMNDJWLVGHZ-IBGZPJMESA-N 1 1 376.428 3.934 20 5 GHBDMO CCC[N@@H+](C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000576536968 902081398 /nfs/dbraw/zinc/08/13/98/902081398.db2.gz KXJWDDPPTVWVQU-IBGZPJMESA-N 1 1 389.883 3.990 20 5 GHBDMO Cc1ccnc([C@@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000576595559 902117131 /nfs/dbraw/zinc/11/71/31/902117131.db2.gz NJUHIPBJRIGNDD-GOEBONIOSA-N 1 1 379.420 3.899 20 5 GHBDMO C[C@H](Nc1ccc(C(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000845813254 902417217 /nfs/dbraw/zinc/41/72/17/902417217.db2.gz BQBFCRFPGZKBHC-UXLLHSPISA-N 1 1 398.463 3.660 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000778982360 902494530 /nfs/dbraw/zinc/49/45/30/902494530.db2.gz KXHMIYPWHDMESE-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000778982360 902494533 /nfs/dbraw/zinc/49/45/33/902494533.db2.gz KXHMIYPWHDMESE-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001274043140 902899662 /nfs/dbraw/zinc/89/96/62/902899662.db2.gz RLRFUYZMKZNBLL-YQQQUEKLSA-N 1 1 394.475 3.614 20 5 GHBDMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000577717444 903099953 /nfs/dbraw/zinc/09/99/53/903099953.db2.gz YIYIOODKHPZWQB-YJBOKZPZSA-N 1 1 398.463 3.778 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCc4[nH+]c[nH]c4C3)c([N+](=O)[O-])c2)cc1 ZINC000577993917 903425139 /nfs/dbraw/zinc/42/51/39/903425139.db2.gz UPINIKMGBZCCTD-MRXNPFEDSA-N 1 1 391.431 3.848 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCc4[nH]c[nH+]c4C3)c([N+](=O)[O-])c2)cc1 ZINC000577993917 903425141 /nfs/dbraw/zinc/42/51/41/903425141.db2.gz UPINIKMGBZCCTD-MRXNPFEDSA-N 1 1 391.431 3.848 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826584895 903819605 /nfs/dbraw/zinc/81/96/05/903819605.db2.gz JMYTXXQIBNXRNS-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO CNc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001148113077 903977571 /nfs/dbraw/zinc/97/75/71/903977571.db2.gz VJCMBXPGJXUUKG-OAQYLSRUSA-N 1 1 396.491 3.619 20 5 GHBDMO COc1ccc(C)[nH+]c1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000578940692 904240410 /nfs/dbraw/zinc/24/04/10/904240410.db2.gz JCNXDIWQUMGFBE-UHFFFAOYSA-N 1 1 399.188 3.524 20 5 GHBDMO C[C@H](CSc1ccccc1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171773046 905014582 /nfs/dbraw/zinc/01/45/82/905014582.db2.gz RBRMYVSGWGLSHS-OAHLLOKOSA-N 1 1 385.489 3.597 20 5 GHBDMO C[C@H](CSc1ccccc1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171773046 905014602 /nfs/dbraw/zinc/01/46/02/905014602.db2.gz RBRMYVSGWGLSHS-OAHLLOKOSA-N 1 1 385.489 3.597 20 5 GHBDMO C[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](Cc2ccccc2)C1 ZINC001171735185 905018091 /nfs/dbraw/zinc/01/80/91/905018091.db2.gz PPMJTNSQDGASTH-OAQYLSRUSA-N 1 1 392.459 3.609 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H]2C[C@@H]21 ZINC001172903083 905925487 /nfs/dbraw/zinc/92/54/87/905925487.db2.gz DUPWPWBVYQIQEG-QRQLOZEOSA-N 1 1 387.480 3.536 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H]2C[C@@H]21 ZINC001172903083 905925499 /nfs/dbraw/zinc/92/54/99/905925499.db2.gz DUPWPWBVYQIQEG-QRQLOZEOSA-N 1 1 387.480 3.536 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1)CC2 ZINC001172903605 905927447 /nfs/dbraw/zinc/92/74/47/905927447.db2.gz HQJVIILRGBULIP-HYVNUMGLSA-N 1 1 390.377 3.570 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@H]3[C@H]1CCN3Cc1cccnc1)CC2 ZINC001172908977 905937691 /nfs/dbraw/zinc/93/76/91/905937691.db2.gz QDCQGIJJLLEBDS-AKIFATBCSA-N 1 1 392.503 3.586 20 5 GHBDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2ccccc21 ZINC001172920995 905990353 /nfs/dbraw/zinc/99/03/53/905990353.db2.gz NOFSLJHOEPQTGA-GHTZIAJQSA-N 1 1 380.444 3.615 20 5 GHBDMO CC[C@@H]1[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC[C@]12CCC(=O)N2C ZINC001172909698 906016503 /nfs/dbraw/zinc/01/65/03/906016503.db2.gz UFXJCCRYZUXMDJ-VCOUNFBDSA-N 1 1 385.508 3.708 20 5 GHBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCN(c2ccccn2)CC1 ZINC000177174296 906056099 /nfs/dbraw/zinc/05/60/99/906056099.db2.gz YUIVWNCYLSVJBU-UHFFFAOYSA-N 1 1 395.463 3.870 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1F ZINC001173189686 906269654 /nfs/dbraw/zinc/26/96/54/906269654.db2.gz LTFRTRUBSBIFKC-ZIAGYGMSSA-N 1 1 396.459 3.727 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(Oc3cccnc3)CC2)c1F ZINC001173190726 906271482 /nfs/dbraw/zinc/27/14/82/906271482.db2.gz WFXBVGISIWFFPP-AWEZNQCLSA-N 1 1 389.427 3.612 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001173222755 906301047 /nfs/dbraw/zinc/30/10/47/906301047.db2.gz VHLAODHLVGWBQO-HNNXBMFYSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001173223157 906303030 /nfs/dbraw/zinc/30/30/30/906303030.db2.gz YSGIEZMGGVNXDY-OAHLLOKOSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001173223157 906303049 /nfs/dbraw/zinc/30/30/49/906303049.db2.gz YSGIEZMGGVNXDY-OAHLLOKOSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001173223569 906303626 /nfs/dbraw/zinc/30/36/26/906303626.db2.gz AYRPZNBMFGFXFH-MGPUTAFESA-N 1 1 377.485 3.905 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cn(CC3CC3)nc21 ZINC001173224758 906306727 /nfs/dbraw/zinc/30/67/27/906306727.db2.gz LARZNOPYYXXTCU-UZLBHIALSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001173229625 906315214 /nfs/dbraw/zinc/31/52/14/906315214.db2.gz XYNTVRDZNYCQEN-UCNVEGJOSA-N 1 1 397.475 3.623 20 5 GHBDMO COC(=O)[C@](C)([NH3+])Cc1cn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173231974 906319056 /nfs/dbraw/zinc/31/90/56/906319056.db2.gz BTEGPVVQAIFKLY-IVZQSRNASA-N 1 1 395.459 3.786 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001173233798 906320576 /nfs/dbraw/zinc/32/05/76/906320576.db2.gz YWSNTTYBWXTMTL-JLSDUUJJSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001173233798 906320589 /nfs/dbraw/zinc/32/05/89/906320589.db2.gz YWSNTTYBWXTMTL-JLSDUUJJSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173238414 906349647 /nfs/dbraw/zinc/34/96/47/906349647.db2.gz RXHJNIZDLZGPHK-DNVCBOLYSA-N 1 1 389.496 4.000 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000365974960 921272511 /nfs/dbraw/zinc/27/25/11/921272511.db2.gz IYUVCKUIALBQBF-ROUUACIJSA-N 1 1 395.459 3.530 20 5 GHBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181664226 907052090 /nfs/dbraw/zinc/05/20/90/907052090.db2.gz QHGICEZUFAIOBV-CABCVRRESA-N 1 1 382.464 3.526 20 5 GHBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181667155 907052122 /nfs/dbraw/zinc/05/21/22/907052122.db2.gz DMUHQZITSGMVDM-UKRRQHHQSA-N 1 1 379.888 3.560 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000191651520 907118589 /nfs/dbraw/zinc/11/85/89/907118589.db2.gz GZTRBXQINPMYIP-SFHVURJKSA-N 1 1 388.411 3.578 20 5 GHBDMO Cc1cccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1[N+](=O)[O-] ZINC000299349514 921299746 /nfs/dbraw/zinc/29/97/46/921299746.db2.gz OUSWPPAKDUEPET-UHFFFAOYSA-N 1 1 379.460 3.566 20 5 GHBDMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001174914808 907285787 /nfs/dbraw/zinc/28/57/87/907285787.db2.gz GHPWFPSSUQHLJP-KUHUBIRLSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001174914808 907285799 /nfs/dbraw/zinc/28/57/99/907285799.db2.gz GHPWFPSSUQHLJP-KUHUBIRLSA-N 1 1 379.432 3.613 20 5 GHBDMO COc1cccc(C[NH+]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)c1 ZINC001175491613 907572816 /nfs/dbraw/zinc/57/28/16/907572816.db2.gz LDOLAJKYKHYUCV-UHFFFAOYSA-N 1 1 375.856 3.575 20 5 GHBDMO CN(C[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001175775614 907738767 /nfs/dbraw/zinc/73/87/67/907738767.db2.gz SPEXSOZGNMBLFD-GOSISDBHSA-N 1 1 377.485 3.859 20 5 GHBDMO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000185663914 907809103 /nfs/dbraw/zinc/80/91/03/907809103.db2.gz KHWXQNHONNYRRX-GFCCVEGCSA-N 1 1 378.812 3.651 20 5 GHBDMO O=C(C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1)C(F)(F)F ZINC000186020940 907866633 /nfs/dbraw/zinc/86/66/33/907866633.db2.gz XJAFBQRCKLCKPZ-UHFFFAOYSA-N 1 1 397.353 3.636 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000773634874 908497979 /nfs/dbraw/zinc/49/79/79/908497979.db2.gz FQBXLKKEOWLMKD-UHFFFAOYSA-N 1 1 393.459 3.957 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000194061511 908912629 /nfs/dbraw/zinc/91/26/29/908912629.db2.gz ISOHKOLTUPELIF-XJKSGUPXSA-N 1 1 377.422 3.653 20 5 GHBDMO COc1ccc(C[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C2CCCCC2)cc1OC ZINC000779858657 909051916 /nfs/dbraw/zinc/05/19/16/909051916.db2.gz KQBIINNCEIXZIF-UHFFFAOYSA-N 1 1 388.468 3.909 20 5 GHBDMO COc1ccc(C[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C2CCCCC2)cc1OC ZINC000779858657 909051934 /nfs/dbraw/zinc/05/19/34/909051934.db2.gz KQBIINNCEIXZIF-UHFFFAOYSA-N 1 1 388.468 3.909 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245570191 909750569 /nfs/dbraw/zinc/75/05/69/909750569.db2.gz AJUILKIDZZNBOW-NVXWUHKLSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245570191 909750579 /nfs/dbraw/zinc/75/05/79/909750579.db2.gz AJUILKIDZZNBOW-NVXWUHKLSA-N 1 1 377.803 3.563 20 5 GHBDMO C[C@@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000271609295 910982900 /nfs/dbraw/zinc/98/29/00/910982900.db2.gz CCTTZUNUOYTQJV-IEBWSBKVSA-N 1 1 396.491 3.819 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000274129607 911234109 /nfs/dbraw/zinc/23/41/09/911234109.db2.gz DVGKHSRBLZSNKZ-ACJLOTCBSA-N 1 1 389.402 3.513 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1 ZINC000796363024 915000604 /nfs/dbraw/zinc/00/06/04/915000604.db2.gz LECZDZZYYIXTOZ-PKTZIBPZSA-N 1 1 392.455 3.864 20 5 GHBDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292943379 915914944 /nfs/dbraw/zinc/91/49/44/915914944.db2.gz BNLGQTSZCACNLG-ZDUSSCGKSA-N 1 1 387.402 3.598 20 5 GHBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292943379 915914955 /nfs/dbraw/zinc/91/49/55/915914955.db2.gz BNLGQTSZCACNLG-ZDUSSCGKSA-N 1 1 387.402 3.598 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC4(CC3)OCc3ccccc34)n2)cc1 ZINC000361342005 916651251 /nfs/dbraw/zinc/65/12/51/916651251.db2.gz IGIYCVPABUPIHG-UHFFFAOYSA-N 1 1 392.415 3.666 20 5 GHBDMO C[S@](=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000294606189 916885391 /nfs/dbraw/zinc/88/53/91/916885391.db2.gz NYPXNQIZIGJEDC-DXPJPUQTSA-N 1 1 386.395 3.823 20 5 GHBDMO CCOc1cc(C[N@@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001190707171 917496034 /nfs/dbraw/zinc/49/60/34/917496034.db2.gz FOJBYZPGURBRSS-INIZCTEOSA-N 1 1 393.484 3.825 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001190707171 917496045 /nfs/dbraw/zinc/49/60/45/917496045.db2.gz FOJBYZPGURBRSS-INIZCTEOSA-N 1 1 393.484 3.825 20 5 GHBDMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000117864844 919573246 /nfs/dbraw/zinc/57/32/46/919573246.db2.gz XWEFJNOZEWMCCE-FQEVSTJZSA-N 1 1 392.463 3.714 20 5 GHBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000117864844 919573251 /nfs/dbraw/zinc/57/32/51/919573251.db2.gz XWEFJNOZEWMCCE-FQEVSTJZSA-N 1 1 392.463 3.714 20 5 GHBDMO O=c1ccccn1C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000800314602 919891692 /nfs/dbraw/zinc/89/16/92/919891692.db2.gz IXKQPAXOGBYVIS-SFHVURJKSA-N 1 1 383.835 3.941 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000900820691 920634977 /nfs/dbraw/zinc/63/49/77/920634977.db2.gz ACSGVLJWHZHPKQ-JOYOIKCWSA-N 1 1 392.258 3.843 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cn(CCOC)nc32)cc1[N+](=O)[O-] ZINC000369462842 923353285 /nfs/dbraw/zinc/35/32/85/923353285.db2.gz KNNXQHGIBHRTCX-PBHICJAKSA-N 1 1 388.468 3.565 20 5 GHBDMO O=C(CC[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000409902308 925116032 /nfs/dbraw/zinc/11/60/32/925116032.db2.gz XCDPHENTRPBABY-HNNXBMFYSA-N 1 1 389.477 3.666 20 5 GHBDMO CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000410576699 925741581 /nfs/dbraw/zinc/74/15/81/925741581.db2.gz TYOINTSVIOVXLE-SFHVURJKSA-N 1 1 381.476 3.605 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411220391 926221366 /nfs/dbraw/zinc/22/13/66/926221366.db2.gz SBRBBSDBBZXCFC-GOSISDBHSA-N 1 1 397.431 3.532 20 5 GHBDMO CCC[N@@H+](CC1CCCCC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726587473 926745492 /nfs/dbraw/zinc/74/54/92/926745492.db2.gz PGOCVSBCEKVVIW-UHFFFAOYSA-N 1 1 388.468 3.613 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000726601061 926755836 /nfs/dbraw/zinc/75/58/36/926755836.db2.gz PQJKUDHOKOSOFT-MAUKXSAKSA-N 1 1 377.485 3.905 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000411809045 926804100 /nfs/dbraw/zinc/80/41/00/926804100.db2.gz SVRQBTCWVPDGSI-VXGBXAGGSA-N 1 1 389.374 3.595 20 5 GHBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000726796477 926858146 /nfs/dbraw/zinc/85/81/46/926858146.db2.gz AZCYTLYGVRZLOI-OAHLLOKOSA-N 1 1 389.502 3.790 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000749602739 927209244 /nfs/dbraw/zinc/20/92/44/927209244.db2.gz RGFXXPHROBFNMR-HNNXBMFYSA-N 1 1 392.456 3.504 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000750616042 927753655 /nfs/dbraw/zinc/75/36/55/927753655.db2.gz MZNBRRNUEHXUIW-UHFFFAOYSA-N 1 1 381.411 3.899 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000375014057 927814183 /nfs/dbraw/zinc/81/41/83/927814183.db2.gz SHMBYWKBZDZHHD-BZUAXINKSA-N 1 1 386.452 3.844 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br ZINC000467027123 928610007 /nfs/dbraw/zinc/61/00/07/928610007.db2.gz UDMCUVHCDMCKSP-UHFFFAOYSA-N 1 1 392.253 3.600 20 5 GHBDMO O=C(C[NH+]1CCC(c2cccc(F)c2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000752328292 928764068 /nfs/dbraw/zinc/76/40/68/928764068.db2.gz PZEVXUDMZJPKLG-UHFFFAOYSA-N 1 1 383.423 3.503 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000544070452 928765034 /nfs/dbraw/zinc/76/50/34/928765034.db2.gz ZZHMQGSIHXQDFC-SJORKVTESA-N 1 1 376.840 3.825 20 5 GHBDMO O=C(C[NH+]1CCC(c2cccc(F)c2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000752329267 928766701 /nfs/dbraw/zinc/76/67/01/928766701.db2.gz ZJCICDAPFOKYFJ-UHFFFAOYSA-N 1 1 383.423 3.503 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544189166 928912792 /nfs/dbraw/zinc/91/27/92/928912792.db2.gz LJTAGPNCZYTFGB-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO Cc1ccccc1OCCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000753914540 929589380 /nfs/dbraw/zinc/58/93/80/929589380.db2.gz GZOUJXRDKIWZHK-UHFFFAOYSA-N 1 1 389.427 3.772 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107695 929645439 /nfs/dbraw/zinc/64/54/39/929645439.db2.gz VDUDQMZHPOEAEK-WMLDXEAASA-N 1 1 393.484 3.729 20 5 GHBDMO O=C(OC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)c1ccccc1[N+](=O)[O-] ZINC000757892257 929841855 /nfs/dbraw/zinc/84/18/55/929841855.db2.gz SWMSFCVHUXKJNP-AWEZNQCLSA-N 1 1 390.386 3.942 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000469477331 929926562 /nfs/dbraw/zinc/92/65/62/929926562.db2.gz DEGNJTCHSRIWOP-OAQYLSRUSA-N 1 1 383.492 3.800 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+]C(C)(C)c2cnn(C)c2)cc1OC ZINC000546704600 930369607 /nfs/dbraw/zinc/36/96/07/930369607.db2.gz DJFMKTSZABFWIS-AWEZNQCLSA-N 1 1 390.484 3.787 20 5 GHBDMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470170533 930427515 /nfs/dbraw/zinc/42/75/15/930427515.db2.gz WKXRFKDTQYDYFF-WJDWOHSUSA-N 1 1 385.439 3.776 20 5 GHBDMO CCc1nsc(N2CCC[N@@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000470178339 930435159 /nfs/dbraw/zinc/43/51/59/930435159.db2.gz JMRQSGAQXCJSCS-NTCAYCPXSA-N 1 1 387.509 3.624 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(C)cc3C)C2)c([N+](=O)[O-])c1 ZINC000470994306 931083203 /nfs/dbraw/zinc/08/32/03/931083203.db2.gz FKXAWIXKWVQZSY-MRXNPFEDSA-N 1 1 383.448 3.648 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccc(C)cc3C)C2)c([N+](=O)[O-])c1 ZINC000470994306 931083211 /nfs/dbraw/zinc/08/32/11/931083211.db2.gz FKXAWIXKWVQZSY-MRXNPFEDSA-N 1 1 383.448 3.648 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470995670 931084652 /nfs/dbraw/zinc/08/46/52/931084652.db2.gz UITKSKPMMIANOV-GOSISDBHSA-N 1 1 397.475 3.730 20 5 GHBDMO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1c(F)cccc1Cl ZINC000782474124 931234655 /nfs/dbraw/zinc/23/46/55/931234655.db2.gz CVVWIPAULFSGJR-UHFFFAOYSA-N 1 1 383.782 3.987 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1c(F)cccc1Cl ZINC000782474124 931234661 /nfs/dbraw/zinc/23/46/61/931234661.db2.gz CVVWIPAULFSGJR-UHFFFAOYSA-N 1 1 383.782 3.987 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782484906 931238558 /nfs/dbraw/zinc/23/85/58/931238558.db2.gz XCFGDHSTZZEQOD-MRXNPFEDSA-N 1 1 389.402 3.909 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000782499123 931242840 /nfs/dbraw/zinc/24/28/40/931242840.db2.gz LNLDBRPUFXKXMR-NIKGAXFTSA-N 1 1 393.459 3.588 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000777513655 931324622 /nfs/dbraw/zinc/32/46/22/931324622.db2.gz IENPXIOZENJVBA-UHFFFAOYSA-N 1 1 375.335 3.697 20 5 GHBDMO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc(F)cc1[N+](=O)[O-] ZINC000557456357 931439889 /nfs/dbraw/zinc/43/98/89/931439889.db2.gz BXGIFWCNICDFSA-QGZVFWFLSA-N 1 1 383.379 3.588 20 5 GHBDMO CN(C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC000783558682 931581742 /nfs/dbraw/zinc/58/17/42/931581742.db2.gz FZDSLXMNLJTSQY-AWEZNQCLSA-N 1 1 383.876 3.937 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC000783558682 931581745 /nfs/dbraw/zinc/58/17/45/931581745.db2.gz FZDSLXMNLJTSQY-AWEZNQCLSA-N 1 1 383.876 3.937 20 5 GHBDMO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000784008486 931753727 /nfs/dbraw/zinc/75/37/27/931753727.db2.gz IIKVKALLYGNSKC-SFTDATJTSA-N 1 1 378.432 3.988 20 5 GHBDMO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000784008486 931753742 /nfs/dbraw/zinc/75/37/42/931753742.db2.gz IIKVKALLYGNSKC-SFTDATJTSA-N 1 1 378.432 3.988 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000558773427 932226061 /nfs/dbraw/zinc/22/60/61/932226061.db2.gz RLYWDZLTUSMZJO-CQSZACIVSA-N 1 1 394.431 3.979 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000927113537 932417846 /nfs/dbraw/zinc/41/78/46/932417846.db2.gz ZUWAUVIEZFLAJP-SFTDATJTSA-N 1 1 392.459 3.711 20 5 GHBDMO C[C@@H](NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000798373253 932619233 /nfs/dbraw/zinc/61/92/33/932619233.db2.gz ZCWDSTHWJYHIMW-VGOFRKELSA-N 1 1 396.491 3.867 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000798484567 932668093 /nfs/dbraw/zinc/66/80/93/932668093.db2.gz SVIZGHHLLYELPI-OAQYLSRUSA-N 1 1 382.464 3.937 20 5 GHBDMO COc1cc(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000798527229 932690981 /nfs/dbraw/zinc/69/09/81/932690981.db2.gz QGPLPSFESMTZOT-JOCHJYFZSA-N 1 1 397.475 3.554 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000799360235 932970431 /nfs/dbraw/zinc/97/04/31/932970431.db2.gz HCRHUPFLAHATBZ-HNNXBMFYSA-N 1 1 393.484 3.730 20 5 GHBDMO Cc1cccc(O[C@@H](C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000560528543 933313247 /nfs/dbraw/zinc/31/32/47/933313247.db2.gz HODMLISLFIEACJ-OXJNMPFZSA-N 1 1 380.448 3.783 20 5 GHBDMO Cn1ccnc1[C@@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560536890 933322542 /nfs/dbraw/zinc/32/25/42/933322542.db2.gz GCONNYJUYFNPMI-SFTDATJTSA-N 1 1 397.523 3.804 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116349397 933500741 /nfs/dbraw/zinc/50/07/41/933500741.db2.gz KPPXCLHGKMTUCT-GJZGRUSLSA-N 1 1 393.447 3.678 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116349397 933500747 /nfs/dbraw/zinc/50/07/47/933500747.db2.gz KPPXCLHGKMTUCT-GJZGRUSLSA-N 1 1 393.447 3.678 20 5 GHBDMO Nc1cc(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC001117674626 933979156 /nfs/dbraw/zinc/97/91/56/933979156.db2.gz MMJKCRKBDHOZPL-IHWFROFDSA-N 1 1 396.491 3.667 20 5 GHBDMO C[C@H]1C[C@H](C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001117743929 934003298 /nfs/dbraw/zinc/00/32/98/934003298.db2.gz OLQZUMMHPCFXPV-LSDHHAIUSA-N 1 1 375.469 3.946 20 5 GHBDMO C[C@H]1C[C@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001117743929 934003303 /nfs/dbraw/zinc/00/33/03/934003303.db2.gz OLQZUMMHPCFXPV-LSDHHAIUSA-N 1 1 375.469 3.946 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931191268 934427652 /nfs/dbraw/zinc/42/76/52/934427652.db2.gz SRLPIPNHDKWWES-YSSFQJQWSA-N 1 1 399.516 3.788 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000561878322 934531633 /nfs/dbraw/zinc/53/16/33/934531633.db2.gz XWPQOZGBTCHTQE-CYBMUJFWSA-N 1 1 395.381 3.864 20 5 GHBDMO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC001120918708 934536162 /nfs/dbraw/zinc/53/61/62/934536162.db2.gz WRWIQKUENYDPHB-HNNXBMFYSA-N 1 1 397.479 3.815 20 5 GHBDMO Cc1c(Br)cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001125026586 935510373 /nfs/dbraw/zinc/51/03/73/935510373.db2.gz PPSCSOZJKRLMTA-RYUDHWBXSA-N 1 1 398.301 3.658 20 5 GHBDMO CC[N@H+]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001625950867 1014522529 /nfs/dbraw/zinc/52/25/29/1014522529.db2.gz LRSMGORTSQECDW-KRWDZBQOSA-N 1 1 396.491 3.763 20 5 GHBDMO Cc1cccc(N2CCC(Nc3ncc([N+](=O)[O-])cc3Br)CC2)[nH+]1 ZINC000301573361 1014839075 /nfs/dbraw/zinc/83/90/75/1014839075.db2.gz XTPLZIMHEOQZOH-UHFFFAOYSA-N 1 1 392.257 3.537 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001227043209 1032247887 /nfs/dbraw/zinc/24/78/87/1032247887.db2.gz BIKGYTLXNQSTKN-MRXNPFEDSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC001227043209 1032247895 /nfs/dbraw/zinc/24/78/95/1032247895.db2.gz BIKGYTLXNQSTKN-MRXNPFEDSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001227048256 1032252040 /nfs/dbraw/zinc/25/20/40/1032252040.db2.gz IOBQNLVMDBQESL-NLWGTHIKSA-N 1 1 396.443 3.671 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001221177214 1032318230 /nfs/dbraw/zinc/31/82/30/1032318230.db2.gz COXZNUJVCXOLDW-QGZVFWFLSA-N 1 1 396.491 3.746 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001227465546 1032430760 /nfs/dbraw/zinc/43/07/60/1032430760.db2.gz GCPBZQLJOMMCAS-OAHLLOKOSA-N 1 1 375.356 3.686 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001227465546 1032430768 /nfs/dbraw/zinc/43/07/68/1032430768.db2.gz GCPBZQLJOMMCAS-OAHLLOKOSA-N 1 1 375.356 3.686 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2c1 ZINC001227742640 1032539258 /nfs/dbraw/zinc/53/92/58/1032539258.db2.gz CGIUIJGMSSSWAP-XAUMDUMWSA-N 1 1 378.432 3.761 20 5 GHBDMO CO[C@@H](C[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1)c1ccccc1 ZINC001155713838 1032657115 /nfs/dbraw/zinc/65/71/15/1032657115.db2.gz ARSGTZBKJRCHAN-NRFANRHFSA-N 1 1 392.459 3.653 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000558062412 1017104001 /nfs/dbraw/zinc/10/40/01/1017104001.db2.gz CWMLXMLBKVSBNR-FQEVSTJZSA-N 1 1 383.448 3.576 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2c1 ZINC001156315432 1032976776 /nfs/dbraw/zinc/97/67/76/1032976776.db2.gz OACCBTNZPCBMLD-QXAKKESOSA-N 1 1 389.459 3.861 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000835068017 1021847270 /nfs/dbraw/zinc/84/72/70/1021847270.db2.gz CNOIITWXHXRITL-GDBMZVCRSA-N 1 1 393.484 3.586 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000754169122 1022520111 /nfs/dbraw/zinc/52/01/11/1022520111.db2.gz LGQGQHFUGQWFJY-YYOLLNNXSA-N 1 1 379.460 3.950 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000836224961 1022744342 /nfs/dbraw/zinc/74/43/42/1022744342.db2.gz GDYQOBDYFYBACN-INIZCTEOSA-N 1 1 377.828 3.717 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000754699240 1022840453 /nfs/dbraw/zinc/84/04/53/1022840453.db2.gz IGEZAPSMLUPROE-LLVKDONJSA-N 1 1 386.433 3.502 20 5 GHBDMO COC(=O)c1cc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc([N+](=O)[O-])c1 ZINC001228769927 1033087567 /nfs/dbraw/zinc/08/75/67/1033087567.db2.gz DYDWJYSCJJTUIP-QGZVFWFLSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1cc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc([N+](=O)[O-])c1 ZINC001228769927 1033087574 /nfs/dbraw/zinc/08/75/74/1033087574.db2.gz DYDWJYSCJJTUIP-QGZVFWFLSA-N 1 1 388.395 3.564 20 5 GHBDMO CCOc1cc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000755067671 1023057103 /nfs/dbraw/zinc/05/71/03/1023057103.db2.gz QLGSGGQMBLAGAE-HOCLYGCPSA-N 1 1 393.484 3.729 20 5 GHBDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000755168158 1023107497 /nfs/dbraw/zinc/10/74/97/1023107497.db2.gz QWFNSXKVYVLAGG-FZKQIMNGSA-N 1 1 382.420 3.591 20 5 GHBDMO O=c1oc2ccccc2c(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001228808008 1033110134 /nfs/dbraw/zinc/11/01/34/1033110134.db2.gz WGWRANHOAFGEBW-HNNXBMFYSA-N 1 1 398.390 3.884 20 5 GHBDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000755765859 1023368052 /nfs/dbraw/zinc/36/80/52/1023368052.db2.gz XRGBPFVXZGKXLB-SFHVURJKSA-N 1 1 390.447 3.725 20 5 GHBDMO N[C@H]1C[C@H](O)C[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958477 1033183378 /nfs/dbraw/zinc/18/33/78/1033183378.db2.gz WPBHQQSSRPJEPP-GJZGRUSLSA-N 1 1 384.483 3.850 20 5 GHBDMO N[C@H]1C[C@H](O)C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958477 1033183385 /nfs/dbraw/zinc/18/33/85/1033183385.db2.gz WPBHQQSSRPJEPP-GJZGRUSLSA-N 1 1 384.483 3.850 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001205007088 1033203973 /nfs/dbraw/zinc/20/39/73/1033203973.db2.gz FFACCJPPZNTFQM-HZPDHXFCSA-N 1 1 377.485 3.947 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)ccc1[N+](=O)[O-] ZINC000832054057 1025188089 /nfs/dbraw/zinc/18/80/89/1025188089.db2.gz DJKJPHIIFGTXQK-SJORKVTESA-N 1 1 376.453 3.501 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC001205169189 1033282208 /nfs/dbraw/zinc/28/22/08/1033282208.db2.gz DAJHZFICAYWMRV-QGZVFWFLSA-N 1 1 383.496 3.909 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2ccc(/C=C/[N+](=O)[O-])cc2)O1 ZINC001229114979 1033287857 /nfs/dbraw/zinc/28/78/57/1033287857.db2.gz ODTQAVVPWJFNPT-JNCYCUAHSA-N 1 1 382.460 3.992 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2ccc(/C=C/[N+](=O)[O-])cc2)O1 ZINC001229114979 1033287866 /nfs/dbraw/zinc/28/78/66/1033287866.db2.gz ODTQAVVPWJFNPT-JNCYCUAHSA-N 1 1 382.460 3.992 20 5 GHBDMO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC001141569430 1025598752 /nfs/dbraw/zinc/59/87/52/1025598752.db2.gz HYSAGXBKODPPPS-QGZVFWFLSA-N 1 1 387.867 3.815 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1F ZINC000839147127 1025645770 /nfs/dbraw/zinc/64/57/70/1025645770.db2.gz DGQRVIIORDTDAS-HNNXBMFYSA-N 1 1 376.350 3.915 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1F ZINC000839147127 1025645777 /nfs/dbraw/zinc/64/57/77/1025645777.db2.gz DGQRVIIORDTDAS-HNNXBMFYSA-N 1 1 376.350 3.915 20 5 GHBDMO COCC[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832529703 1025657044 /nfs/dbraw/zinc/65/70/44/1025657044.db2.gz KORFGHMHTZTUJA-SFHVURJKSA-N 1 1 382.819 3.569 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccccc1Br ZINC000832679946 1025830196 /nfs/dbraw/zinc/83/01/96/1025830196.db2.gz MFXSFDCDHOTJHC-KRWDZBQOSA-N 1 1 379.254 3.565 20 5 GHBDMO CC1(Nc2ncc([N+](=O)[O-])cn2)C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001162854196 1025941071 /nfs/dbraw/zinc/94/10/71/1025941071.db2.gz MNNGRJZQMBOGTL-UHFFFAOYSA-N 1 1 375.432 3.661 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3c(F)cccc3[N+](=O)[O-])cc2)C1 ZINC001141632577 1025968179 /nfs/dbraw/zinc/96/81/79/1025968179.db2.gz GBWAFLACYMGPLJ-OAHLLOKOSA-N 1 1 385.439 3.896 20 5 GHBDMO CCCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@H]1CC[N@@H+](C)C1 ZINC001162975453 1025995307 /nfs/dbraw/zinc/99/53/07/1025995307.db2.gz YKJTYEJEAQOQHG-VIFPVBQESA-N 1 1 378.231 3.597 20 5 GHBDMO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@H+](C2CCC2)C1 ZINC000839607164 1026105426 /nfs/dbraw/zinc/10/54/26/1026105426.db2.gz UTXYNHKDQGZWNB-CYBMUJFWSA-N 1 1 382.302 3.664 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])cn1 ZINC001141730292 1026371364 /nfs/dbraw/zinc/37/13/64/1026371364.db2.gz CUDIMYJTQHOJDV-UHFFFAOYSA-N 1 1 391.309 3.755 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001165183858 1026652701 /nfs/dbraw/zinc/65/27/01/1026652701.db2.gz SSPVSMFRIBAXOD-DNVCBOLYSA-N 1 1 379.464 3.818 20 5 GHBDMO C[C@@H]1CN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165202896 1026664913 /nfs/dbraw/zinc/66/49/13/1026664913.db2.gz QDWNOSZEYJCJBD-LSSLULSBSA-N 1 1 395.507 3.621 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001165606542 1026775423 /nfs/dbraw/zinc/77/54/23/1026775423.db2.gz QAGDIHXQDMTNPQ-FQEVSTJZSA-N 1 1 395.503 3.909 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001165606591 1026776478 /nfs/dbraw/zinc/77/64/78/1026776478.db2.gz QUPKILJYFCAPLB-NRFANRHFSA-N 1 1 395.503 3.648 20 5 GHBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC001209889648 1027264319 /nfs/dbraw/zinc/26/43/19/1027264319.db2.gz VHRQFWYHMVWONS-GFCCVEGCSA-N 1 1 388.390 3.870 20 5 GHBDMO Cc1nnc(CC(=O)Nc2cc3[nH+]c4cc(N(C)C)ccc4cc3cc2C)o1 ZINC001141999094 1027847124 /nfs/dbraw/zinc/84/71/24/1027847124.db2.gz UHOQGLWDSXRWNS-UHFFFAOYSA-N 1 1 375.432 3.635 20 5 GHBDMO CC[C@@H](NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177796153 1028460589 /nfs/dbraw/zinc/46/05/89/1028460589.db2.gz JLLFJFSZMDFFSK-LJQANCHMSA-N 1 1 382.464 3.782 20 5 GHBDMO COc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001461593552 1069627976 /nfs/dbraw/zinc/62/79/76/1069627976.db2.gz BBLJEWRASQLMGG-HXUWFJFHSA-N 1 1 397.475 3.586 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001222772817 1030303232 /nfs/dbraw/zinc/30/32/32/1030303232.db2.gz GCBOGBZNDXHPCD-KRWDZBQOSA-N 1 1 384.432 3.563 20 5 GHBDMO O=[N+]([O-])c1ccc(CO[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c([N+](=O)[O-])c1 ZINC001224095908 1030881486 /nfs/dbraw/zinc/88/14/86/1030881486.db2.gz HBXSBRQLESMDAB-LFUKPOHLSA-N 1 1 397.431 3.930 20 5 GHBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC[C@H]21 ZINC001151993378 1031071008 /nfs/dbraw/zinc/07/10/08/1031071008.db2.gz QZSJRRWMKAAODX-DNVCBOLYSA-N 1 1 397.500 3.912 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001225661613 1031527540 /nfs/dbraw/zinc/52/75/40/1031527540.db2.gz MYQCGWLHMCSSPA-GXTWGEPZSA-N 1 1 392.253 3.967 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cccc2ccnn21 ZINC001153563497 1031650183 /nfs/dbraw/zinc/65/01/83/1031650183.db2.gz QQIYGYMJCLEYGU-UHFFFAOYSA-N 1 1 397.438 3.591 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225888483 1031676156 /nfs/dbraw/zinc/67/61/56/1031676156.db2.gz BXIAVFKIHGERIS-SCLBCKFNSA-N 1 1 389.383 3.932 20 5 GHBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001157022327 1033374705 /nfs/dbraw/zinc/37/47/05/1033374705.db2.gz XBCBUHLDBJGZSW-CQSZACIVSA-N 1 1 375.860 3.624 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001157075116 1033403054 /nfs/dbraw/zinc/40/30/54/1033403054.db2.gz XRQKXEKHFVLVHN-UHFFFAOYSA-N 1 1 383.427 3.711 20 5 GHBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001157818740 1033781271 /nfs/dbraw/zinc/78/12/71/1033781271.db2.gz UMSJVZOMAVEYGQ-SECBINFHSA-N 1 1 378.231 3.597 20 5 GHBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001157818740 1033781288 /nfs/dbraw/zinc/78/12/88/1033781288.db2.gz UMSJVZOMAVEYGQ-SECBINFHSA-N 1 1 378.231 3.597 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001230314729 1033992181 /nfs/dbraw/zinc/99/21/81/1033992181.db2.gz GEPGLHAUFHUAMK-MNZLEMJZSA-N 1 1 383.404 3.792 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001207103674 1034094974 /nfs/dbraw/zinc/09/49/74/1034094974.db2.gz ZCGNBBMUYYJRQC-DOTOQJQBSA-N 1 1 380.448 3.594 20 5 GHBDMO CC(C)(C)C(=O)C[NH+]1CCC(Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001161120381 1035147992 /nfs/dbraw/zinc/14/79/92/1035147992.db2.gz WIVWGDMRMMGRHS-UHFFFAOYSA-N 1 1 389.283 3.788 20 5 GHBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218666 1035168176 /nfs/dbraw/zinc/16/81/76/1035168176.db2.gz JRYMTQQRAMOGMS-QFBILLFUSA-N 1 1 382.467 3.564 20 5 GHBDMO COC(=O)CC[N@H+](Cc1ccco1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232221974 1035169904 /nfs/dbraw/zinc/16/99/04/1035169904.db2.gz NNIBUFLCBNDPGM-UHFFFAOYSA-N 1 1 375.428 3.941 20 5 GHBDMO COC(=O)CC[N@@H+](Cc1ccco1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232221974 1035169909 /nfs/dbraw/zinc/16/99/09/1035169909.db2.gz NNIBUFLCBNDPGM-UHFFFAOYSA-N 1 1 375.428 3.941 20 5 GHBDMO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)nc12 ZINC001232221914 1035170030 /nfs/dbraw/zinc/17/00/30/1035170030.db2.gz MIEKOOVDMWCEPO-ZJSXRUAMSA-N 1 1 389.499 3.943 20 5 GHBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001161187055 1035170465 /nfs/dbraw/zinc/17/04/65/1035170465.db2.gz WOGMHEIOBHJXLI-ZDUSSCGKSA-N 1 1 375.860 3.868 20 5 GHBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])c4ccccc43)C2)c1 ZINC001161187339 1035171957 /nfs/dbraw/zinc/17/19/57/1035171957.db2.gz DUJJIYQWFPECGU-INIZCTEOSA-N 1 1 378.432 3.838 20 5 GHBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3nc(Cl)c(C)cc3[N+](=O)[O-])C2)c1 ZINC001161188459 1035172654 /nfs/dbraw/zinc/17/26/54/1035172654.db2.gz YSSFWIBIWNIEAI-AWEZNQCLSA-N 1 1 376.844 3.647 20 5 GHBDMO C[C@@H]1C[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001461984801 1069930031 /nfs/dbraw/zinc/93/00/31/1069930031.db2.gz XFIBGMREGIHMJJ-CVEARBPZSA-N 1 1 389.496 3.989 20 5 GHBDMO COc1ccc(C[C@H](C)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001246685372 1037547596 /nfs/dbraw/zinc/54/75/96/1037547596.db2.gz OMNDWOYTJFPZBI-LXBDKUERSA-N 1 1 395.503 3.614 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001247666935 1038302628 /nfs/dbraw/zinc/30/26/28/1038302628.db2.gz QHNULKIMHDBOAH-NSHDSACASA-N 1 1 380.738 3.819 20 5 GHBDMO CSc1cc(F)c(-c2noc([C@@H]([NH3+])Cc3ccccc3[N+](=O)[O-])n2)cc1F ZINC001247667378 1038303594 /nfs/dbraw/zinc/30/35/94/1038303594.db2.gz VWZYWZHSYWJPCH-ZDUSSCGKSA-N 1 1 392.387 3.887 20 5 GHBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H](c2ccccc2)[NH+]2CCCCC2)n1 ZINC001248062313 1038561235 /nfs/dbraw/zinc/56/12/35/1038561235.db2.gz BFYGFJKAKWTHJZ-KRWDZBQOSA-N 1 1 383.383 3.754 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCN(Cc4ccccc4)CC3)CC2)cc1 ZINC001254478994 1040265693 /nfs/dbraw/zinc/26/56/93/1040265693.db2.gz NTZIBRNFGCJNKS-UHFFFAOYSA-N 1 1 394.519 3.772 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC(N3CCC[N@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001254478994 1040265706 /nfs/dbraw/zinc/26/57/06/1040265706.db2.gz NTZIBRNFGCJNKS-UHFFFAOYSA-N 1 1 394.519 3.772 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC(N3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001254478994 1040265722 /nfs/dbraw/zinc/26/57/22/1040265722.db2.gz NTZIBRNFGCJNKS-UHFFFAOYSA-N 1 1 394.519 3.772 20 5 GHBDMO CC(C)c1noc([C@H]2CCC[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)n1 ZINC001254479981 1040266504 /nfs/dbraw/zinc/26/65/04/1040266504.db2.gz SMUVLYGMPBIOKP-INIZCTEOSA-N 1 1 399.495 3.950 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001254483346 1040271191 /nfs/dbraw/zinc/27/11/91/1040271191.db2.gz RBFJKAJGMWEVDS-KDURUIRLSA-N 1 1 392.503 3.632 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)c1ccc(Br)cc1 ZINC001254539914 1040309809 /nfs/dbraw/zinc/30/98/09/1040309809.db2.gz LVRDVYYJTUCMES-WBMJQRKESA-N 1 1 378.270 3.578 20 5 GHBDMO CCOC(=O)[C@H]([NH3+])Cc1cn([C@@H](C)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC001254538469 1040310636 /nfs/dbraw/zinc/31/06/36/1040310636.db2.gz VTAJKRJCCFORHJ-HNAYVOBHSA-N 1 1 395.459 3.786 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001254551435 1040318858 /nfs/dbraw/zinc/31/88/58/1040318858.db2.gz AVMPAVDASNQCSV-HOTGVXAUSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254551491 1040319326 /nfs/dbraw/zinc/31/93/26/1040319326.db2.gz CGSVQUYXTDZPHN-CGTJXYLNSA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254553864 1040323328 /nfs/dbraw/zinc/32/33/28/1040323328.db2.gz ZSLARZSFRHUIKB-NVXWUHKLSA-N 1 1 377.485 3.905 20 5 GHBDMO Cc1cccc(N2C[C@]3(CC[N@H+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C3)CC2=O)c1 ZINC001254555093 1040324808 /nfs/dbraw/zinc/32/48/08/1040324808.db2.gz FRYIYIHAMLPAAU-FDDCHVKYSA-N 1 1 393.487 3.963 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC001254556441 1040326701 /nfs/dbraw/zinc/32/67/01/1040326701.db2.gz KZTISJQJFBTXLL-IAGOWNOFSA-N 1 1 385.512 3.639 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001254559211 1040330094 /nfs/dbraw/zinc/33/00/94/1040330094.db2.gz JSABDTADGHYZPT-HOTGVXAUSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001254559204 1040330743 /nfs/dbraw/zinc/33/07/43/1040330743.db2.gz JQLICKRYAXNOOH-BFYDXBDKSA-N 1 1 377.485 3.903 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001254562744 1040336746 /nfs/dbraw/zinc/33/67/46/1040336746.db2.gz TYEPWCYXKHULRK-AOMKIAJQSA-N 1 1 397.450 3.794 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001254571519 1040348723 /nfs/dbraw/zinc/34/87/23/1040348723.db2.gz XCEJLRJPISIVTJ-DOTOQJQBSA-N 1 1 377.485 3.857 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595126 1040366979 /nfs/dbraw/zinc/36/69/79/1040366979.db2.gz VLLXRXNSGMXCAZ-NQIIRXRSSA-N 1 1 387.480 3.537 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCc3ncnc(-c4ccccc4)c3CC1)C2 ZINC001254596101 1040369039 /nfs/dbraw/zinc/36/90/39/1040369039.db2.gz OGQBWIUJZLEQJH-HXUWFJFHSA-N 1 1 386.455 3.620 20 5 GHBDMO CC(C)[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605727 1040376782 /nfs/dbraw/zinc/37/67/82/1040376782.db2.gz DBWBXRFZUNVUFT-MOPGFXCFSA-N 1 1 389.496 3.782 20 5 GHBDMO Cc1c(Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cccc1[N+](=O)[O-] ZINC001255426490 1041023535 /nfs/dbraw/zinc/02/35/35/1041023535.db2.gz GAYINLJTNIJYCY-GOSISDBHSA-N 1 1 378.432 3.867 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@H](c4ccccn4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099763 1041527658 /nfs/dbraw/zinc/52/76/58/1041527658.db2.gz WINGDLVMSWZDPD-KRWDZBQOSA-N 1 1 396.491 3.847 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C)Cc3cccc(F)c3F)CC2)ccc1[N+](=O)[O-] ZINC001256101981 1041528613 /nfs/dbraw/zinc/52/86/13/1041528613.db2.gz SROIXGYZHLCNMC-UHFFFAOYSA-N 1 1 391.418 3.982 20 5 GHBDMO C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C1 ZINC001278304103 1042855665 /nfs/dbraw/zinc/85/56/65/1042855665.db2.gz OPMWAOKODYZBFE-IBGZPJMESA-N 1 1 395.503 3.891 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C1 ZINC001278304103 1042855667 /nfs/dbraw/zinc/85/56/67/1042855667.db2.gz OPMWAOKODYZBFE-IBGZPJMESA-N 1 1 395.503 3.891 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001279364300 1047781236 /nfs/dbraw/zinc/78/12/36/1047781236.db2.gz JTIXPVAOUZHZCY-HXUWFJFHSA-N 1 1 397.475 3.586 20 5 GHBDMO CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001306641406 1048783439 /nfs/dbraw/zinc/78/34/39/1048783439.db2.gz KNUNLECAJNVGCF-VQIMIIECSA-N 1 1 398.511 3.716 20 5 GHBDMO CCc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307126685 1049091572 /nfs/dbraw/zinc/09/15/72/1049091572.db2.gz XVVIHSGXXHSBME-MRXNPFEDSA-N 1 1 395.507 3.925 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC001307199207 1049134001 /nfs/dbraw/zinc/13/40/01/1049134001.db2.gz FUPGYUDCRPQQIJ-SFHVURJKSA-N 1 1 387.455 3.717 20 5 GHBDMO C[N@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC001307502991 1049345353 /nfs/dbraw/zinc/34/53/53/1049345353.db2.gz AXDPTGNWBUPSIP-UHFFFAOYSA-N 1 1 382.302 3.808 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001307515162 1049356053 /nfs/dbraw/zinc/35/60/53/1049356053.db2.gz IGXPZVYPFVVEIY-WMZHIEFXSA-N 1 1 396.487 3.705 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001307515161 1049356281 /nfs/dbraw/zinc/35/62/81/1049356281.db2.gz IGXPZVYPFVVEIY-CVDCTZTESA-N 1 1 396.487 3.705 20 5 GHBDMO CCCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCC[C@H]1OC ZINC001307769646 1049580314 /nfs/dbraw/zinc/58/03/14/1049580314.db2.gz KWMCZVWCJLRHGJ-RTBURBONSA-N 1 1 377.485 3.901 20 5 GHBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001307849761 1049632921 /nfs/dbraw/zinc/63/29/21/1049632921.db2.gz JFYZQZLSLRHNKR-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001307849761 1049632930 /nfs/dbraw/zinc/63/29/30/1049632930.db2.gz JFYZQZLSLRHNKR-GFCCVEGCSA-N 1 1 377.828 3.716 20 5 GHBDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307856741 1049638940 /nfs/dbraw/zinc/63/89/40/1049638940.db2.gz KGSHFTXOXSOMNX-CVEARBPZSA-N 1 1 378.469 3.806 20 5 GHBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001307893048 1049671938 /nfs/dbraw/zinc/67/19/38/1049671938.db2.gz DOUGUJDWLLNLCE-ZACQAIPSSA-N 1 1 398.463 3.986 20 5 GHBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001308027651 1049779551 /nfs/dbraw/zinc/77/95/51/1049779551.db2.gz MCFXXGJOCKXSPD-LJQANCHMSA-N 1 1 393.491 3.958 20 5 GHBDMO CN(C[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001308039627 1049790981 /nfs/dbraw/zinc/79/09/81/1049790981.db2.gz LDXIKMYQIFYJOT-QGZVFWFLSA-N 1 1 393.484 3.695 20 5 GHBDMO CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nc1C ZINC001308043703 1049793643 /nfs/dbraw/zinc/79/36/43/1049793643.db2.gz REWDBNOGHVWWOM-HNNXBMFYSA-N 1 1 389.477 3.834 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)cn1 ZINC001290986908 1049965208 /nfs/dbraw/zinc/96/52/08/1049965208.db2.gz FNTVXNAOLABFDN-UHFFFAOYSA-N 1 1 375.747 3.529 20 5 GHBDMO CCC[N@H+]1CC[C@H](NCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC001308475382 1049984518 /nfs/dbraw/zinc/98/45/18/1049984518.db2.gz PLSAPGQQVSSZIT-IBGZPJMESA-N 1 1 399.491 3.756 20 5 GHBDMO CCCN1CC[C@H]([NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC001308475382 1049984521 /nfs/dbraw/zinc/98/45/21/1049984521.db2.gz PLSAPGQQVSSZIT-IBGZPJMESA-N 1 1 399.491 3.756 20 5 GHBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+](C2CCC2)C1 ZINC001327730304 1050266146 /nfs/dbraw/zinc/26/61/46/1050266146.db2.gz YPRQDFVYWZHYPP-ZDUSSCGKSA-N 1 1 382.302 3.664 20 5 GHBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001329851724 1050912524 /nfs/dbraw/zinc/91/25/24/1050912524.db2.gz VNYUFNUSHAWZJU-AWEZNQCLSA-N 1 1 382.844 3.726 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)c1 ZINC001311019796 1051777974 /nfs/dbraw/zinc/77/79/74/1051777974.db2.gz BSJUMPGHKAYVPJ-UHFFFAOYSA-N 1 1 393.447 3.916 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001335093997 1052032856 /nfs/dbraw/zinc/03/28/56/1052032856.db2.gz WNYNBTOAYVZHSG-BKTGTZMESA-N 1 1 386.427 3.540 20 5 GHBDMO CC[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001311691952 1052333524 /nfs/dbraw/zinc/33/35/24/1052333524.db2.gz BVFHZKQMUBUCFK-MAUKXSAKSA-N 1 1 376.501 3.856 20 5 GHBDMO Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1[N+](=O)[O-] ZINC001313156993 1052971691 /nfs/dbraw/zinc/97/16/91/1052971691.db2.gz TZMBMNDUVLBUQX-IBGZPJMESA-N 1 1 388.512 3.747 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001345884230 1055312096 /nfs/dbraw/zinc/31/20/96/1055312096.db2.gz ABVMOSQFRNNTGZ-UHFFFAOYSA-N 1 1 390.484 3.723 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001320413321 1055791738 /nfs/dbraw/zinc/79/17/38/1055791738.db2.gz XODFRTCHTYOQJE-CQSZACIVSA-N 1 1 382.302 3.521 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320664690 1055921227 /nfs/dbraw/zinc/92/12/27/1055921227.db2.gz NANRERAUHJZVJE-APWZRJJASA-N 1 1 386.427 3.918 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320664690 1055921232 /nfs/dbraw/zinc/92/12/32/1055921232.db2.gz NANRERAUHJZVJE-APWZRJJASA-N 1 1 386.427 3.918 20 5 GHBDMO CCCNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC001320705088 1055934236 /nfs/dbraw/zinc/93/42/36/1055934236.db2.gz JVGTYXDDACIJIO-UHFFFAOYSA-N 1 1 398.301 3.676 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001322447222 1056708344 /nfs/dbraw/zinc/70/83/44/1056708344.db2.gz UINRNAHDLQTMTH-HXUWFJFHSA-N 1 1 380.448 3.867 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC001322782100 1056847314 /nfs/dbraw/zinc/84/73/14/1056847314.db2.gz UOJOAELIRXXHDD-MRXNPFEDSA-N 1 1 385.464 3.803 20 5 GHBDMO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001324151481 1057079819 /nfs/dbraw/zinc/07/98/19/1057079819.db2.gz YUNSSZUTASVFRQ-CYBMUJFWSA-N 1 1 399.285 3.913 20 5 GHBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001324151481 1057079822 /nfs/dbraw/zinc/07/98/22/1057079822.db2.gz YUNSSZUTASVFRQ-CYBMUJFWSA-N 1 1 399.285 3.913 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000848478118 1057115107 /nfs/dbraw/zinc/11/51/07/1057115107.db2.gz GNHWULRQBLKFPW-NRFANRHFSA-N 1 1 378.432 3.879 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000848478118 1057115109 /nfs/dbraw/zinc/11/51/09/1057115109.db2.gz GNHWULRQBLKFPW-NRFANRHFSA-N 1 1 378.432 3.879 20 5 GHBDMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc([N+](=O)[O-])c1C ZINC001326287858 1057448800 /nfs/dbraw/zinc/44/88/00/1057448800.db2.gz NYJAFAQXOQQEDP-UHFFFAOYSA-N 1 1 397.475 3.568 20 5 GHBDMO Cc1csc(Sc2ccc(-c3nnc(C[NH+](C)C)o3)cc2[N+](=O)[O-])n1 ZINC001326524123 1057504203 /nfs/dbraw/zinc/50/42/03/1057504203.db2.gz PTBLLXDMJRTDQT-UHFFFAOYSA-N 1 1 377.451 3.623 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001442227899 1058935771 /nfs/dbraw/zinc/93/57/71/1058935771.db2.gz WUVOWJNBANWDEQ-AWEZNQCLSA-N 1 1 384.480 3.571 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001442331592 1058948804 /nfs/dbraw/zinc/94/88/04/1058948804.db2.gz JBWHUCIIEBYXGU-UHFFFAOYSA-N 1 1 381.476 3.778 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001449229576 1060358951 /nfs/dbraw/zinc/35/89/51/1060358951.db2.gz RZGNJCGRJRVORF-UHFFFAOYSA-N 1 1 383.807 3.574 20 5 GHBDMO Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1CC[N@H+](C)C1CCCC1 ZINC001492788421 1061925707 /nfs/dbraw/zinc/92/57/07/1061925707.db2.gz OLKBELSCQFUUMM-UHFFFAOYSA-N 1 1 398.511 3.538 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001545813262 1062017564 /nfs/dbraw/zinc/01/75/64/1062017564.db2.gz CMLOVPUACDTTFE-RHSMWYFYSA-N 1 1 395.793 3.702 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001545813262 1062017592 /nfs/dbraw/zinc/01/75/92/1062017592.db2.gz CMLOVPUACDTTFE-RHSMWYFYSA-N 1 1 395.793 3.702 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001456563991 1062753600 /nfs/dbraw/zinc/75/36/00/1062753600.db2.gz QTGHIHOPWMNDIR-KRWDZBQOSA-N 1 1 381.476 3.948 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001348111748 1062923847 /nfs/dbraw/zinc/92/38/47/1062923847.db2.gz GDYVCUOATVSGDH-IBGZPJMESA-N 1 1 397.475 3.953 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001456962128 1062932016 /nfs/dbraw/zinc/93/20/16/1062932016.db2.gz BMRNJGPHDCSKQN-GOSISDBHSA-N 1 1 383.448 3.513 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001457231925 1063049079 /nfs/dbraw/zinc/04/90/79/1063049079.db2.gz UOESRXMBOPEJNV-ZKMOHVOUSA-N 1 1 393.487 3.868 20 5 GHBDMO CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457541521 1063234375 /nfs/dbraw/zinc/23/43/75/1063234375.db2.gz BVIBUCDOCRLKDU-BHIFYINESA-N 1 1 393.487 3.821 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001457991489 1063491205 /nfs/dbraw/zinc/49/12/05/1063491205.db2.gz GSBPPVCUXZUTBE-LSDHHAIUSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001457991489 1063491213 /nfs/dbraw/zinc/49/12/13/1063491213.db2.gz GSBPPVCUXZUTBE-LSDHHAIUSA-N 1 1 387.867 3.983 20 5 GHBDMO COC(=O)/C=C\c1ccc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC001458346095 1063757110 /nfs/dbraw/zinc/75/71/10/1063757110.db2.gz XBFRLBZQJUXFBC-ANGAQGJPSA-N 1 1 387.480 3.990 20 5 GHBDMO Cc1cc(N2CC[NH+](CCc3ccncc3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001458533708 1063871798 /nfs/dbraw/zinc/87/17/98/1063871798.db2.gz GRYBJGHTPJOPND-UHFFFAOYSA-N 1 1 394.397 3.682 20 5 GHBDMO CSc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001438339170 1064037454 /nfs/dbraw/zinc/03/74/54/1064037454.db2.gz XLAZCIFKNMGGJF-QAPCUYQASA-N 1 1 399.516 3.815 20 5 GHBDMO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)c1C ZINC001459860430 1064246111 /nfs/dbraw/zinc/24/61/11/1064246111.db2.gz WEDYHMSVSCZSMA-INIZCTEOSA-N 1 1 387.436 3.640 20 5 GHBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001300171350 1065550223 /nfs/dbraw/zinc/55/02/23/1065550223.db2.gz FOHCSHJZYJGPRA-UHFFFAOYSA-N 1 1 391.431 3.986 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001466055572 1065968462 /nfs/dbraw/zinc/96/84/62/1065968462.db2.gz ANHUAXXOZDWTAA-IBGZPJMESA-N 1 1 387.867 3.919 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC001477575137 1078473262 /nfs/dbraw/zinc/47/32/62/1078473262.db2.gz RVQGOIBHYLRDKH-UHFFFAOYSA-N 1 1 397.410 3.536 20 5 GHBDMO CC(C)[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001470142819 1068593845 /nfs/dbraw/zinc/59/38/45/1068593845.db2.gz SOSIABLFAHMZEQ-FQEVSTJZSA-N 1 1 385.439 3.717 20 5 GHBDMO CC[C@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460346440 1068935728 /nfs/dbraw/zinc/93/57/28/1068935728.db2.gz XSOKOINMCLGTRH-OALUTQOASA-N 1 1 386.448 3.655 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001460671949 1069075132 /nfs/dbraw/zinc/07/51/32/1069075132.db2.gz XTJYPRHIOWDVEN-HNNXBMFYSA-N 1 1 378.469 3.936 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001460671949 1069075135 /nfs/dbraw/zinc/07/51/35/1069075135.db2.gz XTJYPRHIOWDVEN-HNNXBMFYSA-N 1 1 378.469 3.936 20 5 GHBDMO Cc1c(NC(=O)CC[NH+]2CCN([C@@H](C)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001460709695 1069109401 /nfs/dbraw/zinc/10/94/01/1069109401.db2.gz XIONAYWUECJKOD-SFHVURJKSA-N 1 1 396.491 3.611 20 5 GHBDMO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001460902393 1069264527 /nfs/dbraw/zinc/26/45/27/1069264527.db2.gz GKHOLXDOTGOWMH-AWEZNQCLSA-N 1 1 387.411 3.593 20 5 GHBDMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001460902393 1069264544 /nfs/dbraw/zinc/26/45/44/1069264544.db2.gz GKHOLXDOTGOWMH-AWEZNQCLSA-N 1 1 387.411 3.593 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001471826636 1073228014 /nfs/dbraw/zinc/22/80/14/1073228014.db2.gz QAMXMJUNOLUMNF-LSDHHAIUSA-N 1 1 377.510 3.551 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473175377 1073833044 /nfs/dbraw/zinc/83/30/44/1073833044.db2.gz KGXHMBPHPSOJIK-LJQANCHMSA-N 1 1 383.492 3.960 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473175377 1073833051 /nfs/dbraw/zinc/83/30/51/1073833051.db2.gz KGXHMBPHPSOJIK-LJQANCHMSA-N 1 1 383.492 3.960 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473175377 1073833064 /nfs/dbraw/zinc/83/30/64/1073833064.db2.gz KGXHMBPHPSOJIK-LJQANCHMSA-N 1 1 383.492 3.960 20 5 GHBDMO COc1cc(CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC001473196288 1073847767 /nfs/dbraw/zinc/84/77/67/1073847767.db2.gz WSLAOJJLNAMTTJ-MRXNPFEDSA-N 1 1 387.455 3.839 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001473220795 1073868642 /nfs/dbraw/zinc/86/86/42/1073868642.db2.gz MHXKCDNSFFGOGT-GOSISDBHSA-N 1 1 396.491 3.962 20 5 GHBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001473237818 1073880981 /nfs/dbraw/zinc/88/09/81/1073880981.db2.gz NYTNNDXJDKNTKC-ROUUACIJSA-N 1 1 377.485 3.757 20 5 GHBDMO CC[C@@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001473365256 1073936349 /nfs/dbraw/zinc/93/63/49/1073936349.db2.gz ARMLJDNPCFCMDJ-GOSISDBHSA-N 1 1 387.455 3.839 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC001473449680 1073968306 /nfs/dbraw/zinc/96/83/06/1073968306.db2.gz RPPWQAOEKZXRRU-KRWDZBQOSA-N 1 1 391.468 3.580 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC001473449680 1073968308 /nfs/dbraw/zinc/96/83/08/1073968308.db2.gz RPPWQAOEKZXRRU-KRWDZBQOSA-N 1 1 391.468 3.580 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001473455448 1073972185 /nfs/dbraw/zinc/97/21/85/1073972185.db2.gz ZDZTXKFWXPVXFJ-INIZCTEOSA-N 1 1 393.484 3.743 20 5 GHBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccc(F)cc1 ZINC001473486674 1073985603 /nfs/dbraw/zinc/98/56/03/1073985603.db2.gz MQGIYWYUQDYPJJ-UZLBHIALSA-N 1 1 383.423 3.719 20 5 GHBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccc(F)cc1 ZINC001473486674 1073985608 /nfs/dbraw/zinc/98/56/08/1073985608.db2.gz MQGIYWYUQDYPJJ-UZLBHIALSA-N 1 1 383.423 3.719 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)cc1 ZINC001473582521 1074029764 /nfs/dbraw/zinc/02/97/64/1074029764.db2.gz OLRDFJPANQUJDI-FCHUYYIVSA-N 1 1 384.476 3.822 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001473709507 1074100884 /nfs/dbraw/zinc/10/08/84/1074100884.db2.gz WIJPFBFQAAEGGR-INIZCTEOSA-N 1 1 393.484 3.743 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c(Br)c1 ZINC001473869684 1074183255 /nfs/dbraw/zinc/18/32/55/1074183255.db2.gz AXIQAGUXRSPDIL-ZFWWWQNUSA-N 1 1 383.286 3.996 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001473898180 1074195899 /nfs/dbraw/zinc/19/58/99/1074195899.db2.gz USKAIURORHDTIV-JKSUJKDBSA-N 1 1 399.495 3.753 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001473898180 1074195902 /nfs/dbraw/zinc/19/59/02/1074195902.db2.gz USKAIURORHDTIV-JKSUJKDBSA-N 1 1 399.495 3.753 20 5 GHBDMO CCN(C(=O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC001474269612 1074319057 /nfs/dbraw/zinc/31/90/57/1074319057.db2.gz OUJONPPMUHLHHR-UHFFFAOYSA-N 1 1 379.416 3.998 20 5 GHBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC001474345991 1074354778 /nfs/dbraw/zinc/35/47/78/1074354778.db2.gz ZTKYBMFORMHFTJ-KRWDZBQOSA-N 1 1 398.381 3.623 20 5 GHBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC001474345991 1074354784 /nfs/dbraw/zinc/35/47/84/1074354784.db2.gz ZTKYBMFORMHFTJ-KRWDZBQOSA-N 1 1 398.381 3.623 20 5 GHBDMO COc1c(O)ccc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC001474373576 1074370154 /nfs/dbraw/zinc/37/01/54/1074370154.db2.gz AZASEMSCINAVJH-INIZCTEOSA-N 1 1 391.512 3.786 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](c3cncn3C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001474755851 1074547268 /nfs/dbraw/zinc/54/72/68/1074547268.db2.gz VSIAWUUJGCQMCA-CQSZACIVSA-N 1 1 388.468 3.640 20 5 GHBDMO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000736481013 599173239 /nfs/dbraw/zinc/17/32/39/599173239.db2.gz QPSGHPYEXHGZRD-UHFFFAOYSA-N 1 1 386.843 3.841 20 5 GHBDMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000736481013 599173240 /nfs/dbraw/zinc/17/32/40/599173240.db2.gz QPSGHPYEXHGZRD-UHFFFAOYSA-N 1 1 386.843 3.841 20 5 GHBDMO Cc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1[N+](=O)[O-] ZINC001164840941 720662122 /nfs/dbraw/zinc/66/21/22/720662122.db2.gz OCQZDPKTYNBDNF-LJQANCHMSA-N 1 1 396.491 3.558 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955029 722012763 /nfs/dbraw/zinc/01/27/63/722012763.db2.gz ROFZBFIMRAJGFF-UHFFFAOYSA-N 1 1 387.871 3.531 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccccc2OCCO)c2ccccc2)c1 ZINC000180618732 837403697 /nfs/dbraw/zinc/40/36/97/837403697.db2.gz WSIAIDHOTNYFIF-QFIPXVFZSA-N 1 1 378.428 3.845 20 5 GHBDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000180631560 837414252 /nfs/dbraw/zinc/41/42/52/837414252.db2.gz RPNABDVNAKJTGG-MRXNPFEDSA-N 1 1 396.451 3.802 20 5 GHBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000180631560 837414272 /nfs/dbraw/zinc/41/42/72/837414272.db2.gz RPNABDVNAKJTGG-MRXNPFEDSA-N 1 1 396.451 3.802 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176581615 837436912 /nfs/dbraw/zinc/43/69/12/837436912.db2.gz KOSHPAYDKKJLGT-MJGOQNOKSA-N 1 1 396.491 3.566 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581072318 837456972 /nfs/dbraw/zinc/45/69/72/837456972.db2.gz ZGMVMKRXNICPFY-LJQANCHMSA-N 1 1 381.476 3.890 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000581072318 837456979 /nfs/dbraw/zinc/45/69/79/837456979.db2.gz ZGMVMKRXNICPFY-LJQANCHMSA-N 1 1 381.476 3.890 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000613296905 837538457 /nfs/dbraw/zinc/53/84/57/837538457.db2.gz FJXPBPCPWAWLPJ-GOSISDBHSA-N 1 1 382.464 3.950 20 5 GHBDMO C[N@@H+](Cc1ccccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000180966183 837748026 /nfs/dbraw/zinc/74/80/26/837748026.db2.gz JTTMWHHUAFZOJT-UHFFFAOYSA-N 1 1 396.491 3.872 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000180990723 837767400 /nfs/dbraw/zinc/76/74/00/837767400.db2.gz QKTJBPUZYUJQBQ-KRWDZBQOSA-N 1 1 385.464 3.505 20 5 GHBDMO CC[N@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000120119235 834550963 /nfs/dbraw/zinc/55/09/63/834550963.db2.gz FTRDTAUIYVBXRH-CYBMUJFWSA-N 1 1 375.400 3.592 20 5 GHBDMO CC[N@@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000120119235 834550968 /nfs/dbraw/zinc/55/09/68/834550968.db2.gz FTRDTAUIYVBXRH-CYBMUJFWSA-N 1 1 375.400 3.592 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)o1 ZINC000093766443 834703428 /nfs/dbraw/zinc/70/34/28/834703428.db2.gz GXUGCMBCFKUTQU-KRWDZBQOSA-N 1 1 384.354 3.990 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153907843 834716269 /nfs/dbraw/zinc/71/62/69/834716269.db2.gz NYUZUDDFHXOVEV-HXUWFJFHSA-N 1 1 381.476 3.508 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181061269 837809646 /nfs/dbraw/zinc/80/96/46/837809646.db2.gz YKHIGGCUGRDRJN-QGZVFWFLSA-N 1 1 396.491 3.789 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000187081773 835004351 /nfs/dbraw/zinc/00/43/51/835004351.db2.gz CGUPRVJEROSHSK-PBHICJAKSA-N 1 1 385.489 3.567 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126868091 835107772 /nfs/dbraw/zinc/10/77/72/835107772.db2.gz SFKTVMQNBOBFLF-GJZGRUSLSA-N 1 1 394.431 3.943 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126868091 835107778 /nfs/dbraw/zinc/10/77/78/835107778.db2.gz SFKTVMQNBOBFLF-GJZGRUSLSA-N 1 1 394.431 3.943 20 5 GHBDMO C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000055404297 861190218 /nfs/dbraw/zinc/19/02/18/861190218.db2.gz CJBLXXVZVXMYKR-HIFRSBDPSA-N 1 1 387.461 3.637 20 5 GHBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169323 835362682 /nfs/dbraw/zinc/36/26/82/835362682.db2.gz NRLFOBQXFIRLIV-IBGZPJMESA-N 1 1 393.447 3.746 20 5 GHBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169323 835362694 /nfs/dbraw/zinc/36/26/94/835362694.db2.gz NRLFOBQXFIRLIV-IBGZPJMESA-N 1 1 393.447 3.746 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000584065913 835534847 /nfs/dbraw/zinc/53/48/47/835534847.db2.gz ZIWSLTSUVXYQTP-UHFFFAOYSA-N 1 1 381.354 3.727 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000584065913 835534851 /nfs/dbraw/zinc/53/48/51/835534851.db2.gz ZIWSLTSUVXYQTP-UHFFFAOYSA-N 1 1 381.354 3.727 20 5 GHBDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000055404297 861190233 /nfs/dbraw/zinc/19/02/33/861190233.db2.gz CJBLXXVZVXMYKR-HIFRSBDPSA-N 1 1 387.461 3.637 20 5 GHBDMO CCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 ZINC000179641171 835917651 /nfs/dbraw/zinc/91/76/51/835917651.db2.gz YTZOJCWNENKOKE-CQSZACIVSA-N 1 1 394.518 3.722 20 5 GHBDMO CCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 ZINC000179641171 835917658 /nfs/dbraw/zinc/91/76/58/835917658.db2.gz YTZOJCWNENKOKE-CQSZACIVSA-N 1 1 394.518 3.722 20 5 GHBDMO C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000609506186 835929731 /nfs/dbraw/zinc/92/97/31/835929731.db2.gz LFEGLNMUYYXNFS-CVEARBPZSA-N 1 1 387.505 3.712 20 5 GHBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000411228084 836101851 /nfs/dbraw/zinc/10/18/51/836101851.db2.gz OEDNEQAYCJPEFV-LEWJYISDSA-N 1 1 397.450 3.572 20 5 GHBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000411228084 836101858 /nfs/dbraw/zinc/10/18/58/836101858.db2.gz OEDNEQAYCJPEFV-LEWJYISDSA-N 1 1 397.450 3.572 20 5 GHBDMO COc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000548931736 836242657 /nfs/dbraw/zinc/24/26/57/836242657.db2.gz ZFESLDDJTVGBIN-OAQYLSRUSA-N 1 1 383.492 3.994 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000548931736 836242671 /nfs/dbraw/zinc/24/26/71/836242671.db2.gz ZFESLDDJTVGBIN-OAQYLSRUSA-N 1 1 383.492 3.994 20 5 GHBDMO O=C(CC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411996011 836487230 /nfs/dbraw/zinc/48/72/30/836487230.db2.gz FTFDUIKJBDCBRF-NRFANRHFSA-N 1 1 395.459 3.777 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000452013559 836607159 /nfs/dbraw/zinc/60/71/59/836607159.db2.gz HDEKKUUWIUMOJC-SAABIXHNSA-N 1 1 383.448 3.728 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000578396402 836619886 /nfs/dbraw/zinc/61/98/86/836619886.db2.gz MRDBNSQEHDRORM-KRWDZBQOSA-N 1 1 385.395 3.869 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)c1C ZINC000893838811 844188023 /nfs/dbraw/zinc/18/80/23/844188023.db2.gz HNRYRAUABOXZOU-LJQANCHMSA-N 1 1 394.475 3.748 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2CSC)c([N+](=O)[O-])cc1OCC(F)F ZINC000180219437 836723099 /nfs/dbraw/zinc/72/30/99/836723099.db2.gz RTMZTRZKIMENLT-GFCCVEGCSA-N 1 1 376.425 3.575 20 5 GHBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000247085996 836767002 /nfs/dbraw/zinc/76/70/02/836767002.db2.gz XFPQDDMUPUNOKF-LIRRHRJNSA-N 1 1 387.411 3.525 20 5 GHBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000247085996 836767004 /nfs/dbraw/zinc/76/70/04/836767004.db2.gz XFPQDDMUPUNOKF-LIRRHRJNSA-N 1 1 387.411 3.525 20 5 GHBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247142221 836937503 /nfs/dbraw/zinc/93/75/03/836937503.db2.gz WGDFCLLSQIKHLV-FUHWJXTLSA-N 1 1 385.489 3.783 20 5 GHBDMO Cc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(C)c1 ZINC000580352282 837337778 /nfs/dbraw/zinc/33/77/78/837337778.db2.gz NSSOVUBLWBIHQG-AWEZNQCLSA-N 1 1 385.420 3.572 20 5 GHBDMO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(C)c1 ZINC000580352282 837337796 /nfs/dbraw/zinc/33/77/96/837337796.db2.gz NSSOVUBLWBIHQG-AWEZNQCLSA-N 1 1 385.420 3.572 20 5 GHBDMO Cc1cc(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000472520191 837366791 /nfs/dbraw/zinc/36/67/91/837366791.db2.gz VCMTXHHSWHDXRD-LFUKPOHLSA-N 1 1 381.476 3.790 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000610281879 837907908 /nfs/dbraw/zinc/90/79/08/837907908.db2.gz UEBJBMRNJFEUMP-INIZCTEOSA-N 1 1 377.391 3.907 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)c([N+](=O)[O-])c1 ZINC000102774758 838215408 /nfs/dbraw/zinc/21/54/08/838215408.db2.gz FXLRTEBUEDZNIV-UHFFFAOYSA-N 1 1 395.459 3.573 20 5 GHBDMO CC(C)Oc1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000412303759 838245078 /nfs/dbraw/zinc/24/50/78/838245078.db2.gz MFTJASGLGKXZFQ-SFHVURJKSA-N 1 1 397.475 3.634 20 5 GHBDMO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412311076 838249980 /nfs/dbraw/zinc/24/99/80/838249980.db2.gz FHKLNUUHGURGEL-UHFFFAOYSA-N 1 1 385.386 3.562 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412317940 838338958 /nfs/dbraw/zinc/33/89/58/838338958.db2.gz PJVQWXXCQDFYTI-UHFFFAOYSA-N 1 1 385.386 3.562 20 5 GHBDMO CC(C)[C@@H]1[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000414530906 838611883 /nfs/dbraw/zinc/61/18/83/838611883.db2.gz RAGRXGJRBSGLLT-FQEVSTJZSA-N 1 1 384.480 3.632 20 5 GHBDMO C[C@H]1C[NH2+]CC[C@H]1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414946580 839010484 /nfs/dbraw/zinc/01/04/84/839010484.db2.gz UCDDAIRWMBAAEY-HRAATJIYSA-N 1 1 391.475 3.535 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000053181984 839060498 /nfs/dbraw/zinc/06/04/98/839060498.db2.gz RCAMLDVZBGACNK-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO C[C@@H](OC[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549172949 839155931 /nfs/dbraw/zinc/15/59/31/839155931.db2.gz PZHFUASBAUTMPB-QRWLVFNGSA-N 1 1 392.883 3.861 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000118971115 839234330 /nfs/dbraw/zinc/23/43/30/839234330.db2.gz NDQDLTAGNBGPNZ-UHFFFAOYSA-N 1 1 395.463 3.645 20 5 GHBDMO COc1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415125849 839235214 /nfs/dbraw/zinc/23/52/14/839235214.db2.gz LLJQAVDODLNDDB-VQIMIIECSA-N 1 1 399.491 3.599 20 5 GHBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000412385655 839505850 /nfs/dbraw/zinc/50/58/50/839505850.db2.gz XMAWOROCBFWFGZ-BULFRSBZSA-N 1 1 393.487 3.679 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000024493001 839709121 /nfs/dbraw/zinc/70/91/21/839709121.db2.gz PQVVKNHBYIMPIY-QGZVFWFLSA-N 1 1 389.477 3.867 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458238045 844488582 /nfs/dbraw/zinc/48/85/82/844488582.db2.gz ZJNUPALQZFVMHE-OAHLLOKOSA-N 1 1 379.526 3.805 20 5 GHBDMO CC(C)Oc1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000580760482 840144031 /nfs/dbraw/zinc/14/40/31/840144031.db2.gz BGBYRALLVNQTDF-UHFFFAOYSA-N 1 1 377.485 3.574 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000053718379 840355946 /nfs/dbraw/zinc/35/59/46/840355946.db2.gz VMOZPFJHDOLSTJ-GOSISDBHSA-N 1 1 387.411 3.908 20 5 GHBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000511754553 840641381 /nfs/dbraw/zinc/64/13/81/840641381.db2.gz HVVVLUGCNABQHE-HXUWFJFHSA-N 1 1 381.476 3.934 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000511802055 840809056 /nfs/dbraw/zinc/80/90/56/840809056.db2.gz OCASDMYEEQGWLL-LJQANCHMSA-N 1 1 385.439 3.764 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500148219 841518590 /nfs/dbraw/zinc/51/85/90/841518590.db2.gz JZXMXTNVPLDBAH-VQIMIIECSA-N 1 1 381.476 3.509 20 5 GHBDMO C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700628 861209890 /nfs/dbraw/zinc/20/98/90/861209890.db2.gz FRHZGIPVTBBZHR-NVXWUHKLSA-N 1 1 384.480 3.992 20 5 GHBDMO CCC[N@@H+](CCc1cccc(F)c1)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000500228248 841694330 /nfs/dbraw/zinc/69/43/30/841694330.db2.gz IIDWYXIPAFXZHJ-UHFFFAOYSA-N 1 1 389.427 3.636 20 5 GHBDMO C[NH+](C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1Cl ZINC000603838480 861229280 /nfs/dbraw/zinc/22/92/80/861229280.db2.gz OBDCITCMQMBAQP-SFHVURJKSA-N 1 1 388.855 3.848 20 5 GHBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000123752896 841843221 /nfs/dbraw/zinc/84/32/21/841843221.db2.gz IOKRVMWMYLRBSW-HNNXBMFYSA-N 1 1 379.526 3.757 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@H]1C ZINC000585699790 842112349 /nfs/dbraw/zinc/11/23/49/842112349.db2.gz FEEVGLASLPHLSM-YPMHNXCESA-N 1 1 398.301 3.611 20 5 GHBDMO C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCN(C)CC1 ZINC000127315305 842252846 /nfs/dbraw/zinc/25/28/46/842252846.db2.gz XFTDQYZUBFXUTQ-CVEARBPZSA-N 1 1 388.537 3.610 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCOc3cccc(Cl)c3)C2)nc1 ZINC000112656675 842358690 /nfs/dbraw/zinc/35/86/90/842358690.db2.gz BUVVRXAHQHPAFI-HNNXBMFYSA-N 1 1 376.844 3.599 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCOc3cccc(Cl)c3)C2)nc1 ZINC000112656678 842368675 /nfs/dbraw/zinc/36/86/75/842368675.db2.gz BUVVRXAHQHPAFI-OAHLLOKOSA-N 1 1 376.844 3.599 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(OC4CCCCC4)CC3)o2)cc1 ZINC000125607950 842380724 /nfs/dbraw/zinc/38/07/24/842380724.db2.gz BPQYZMDXBHJVBI-UHFFFAOYSA-N 1 1 386.452 3.959 20 5 GHBDMO COc1ccc(OCC[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000278985124 842430698 /nfs/dbraw/zinc/43/06/98/842430698.db2.gz RMTFCEQKBZDRIC-SECBINFHSA-N 1 1 391.371 3.808 20 5 GHBDMO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000178206142 842478717 /nfs/dbraw/zinc/47/87/17/842478717.db2.gz LKUFRDJPVPHUJC-CYBMUJFWSA-N 1 1 397.410 3.517 20 5 GHBDMO Cc1sc(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000121514528 842529421 /nfs/dbraw/zinc/52/94/21/842529421.db2.gz XVDJARFORLJNNN-STQMWFEESA-N 1 1 389.477 3.826 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000512119336 842559521 /nfs/dbraw/zinc/55/95/21/842559521.db2.gz BTVZDFYLNLTPGZ-CALCHBBNSA-N 1 1 390.528 3.535 20 5 GHBDMO Cc1c(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000555583274 861332634 /nfs/dbraw/zinc/33/26/34/861332634.db2.gz CYIKMXKRQXSTDW-UHFFFAOYSA-N 1 1 375.856 3.683 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000408351872 842742543 /nfs/dbraw/zinc/74/25/43/842742543.db2.gz JQEXDLZCLPGPJT-FRRDWIJNSA-N 1 1 383.290 3.594 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000603901678 861356491 /nfs/dbraw/zinc/35/64/91/861356491.db2.gz CEDUAMTWLYWTMJ-IYBDPMFKSA-N 1 1 388.512 3.657 20 5 GHBDMO CC(C)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000481437950 861363476 /nfs/dbraw/zinc/36/34/76/861363476.db2.gz QAUWABSRGCJZLC-CTNGQTDRSA-N 1 1 399.491 3.765 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000603933608 861395370 /nfs/dbraw/zinc/39/53/70/861395370.db2.gz AXPHPHGYOXCZCA-UHFFFAOYSA-N 1 1 393.418 3.845 20 5 GHBDMO CC(C)Oc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001126285234 843636568 /nfs/dbraw/zinc/63/65/68/843636568.db2.gz AHOWBYVTGVLBTD-LJQANCHMSA-N 1 1 397.475 3.776 20 5 GHBDMO CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843695965 843845518 /nfs/dbraw/zinc/84/55/18/843845518.db2.gz LMKHWUBUHVODED-GOSISDBHSA-N 1 1 385.439 3.859 20 5 GHBDMO CC(C)n1ccnc1C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000573691586 844644704 /nfs/dbraw/zinc/64/47/04/844644704.db2.gz ZMMLVTASRZPZHP-UHFFFAOYSA-N 1 1 394.479 3.633 20 5 GHBDMO CC(C)n1ccnc1C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000573691586 844644716 /nfs/dbraw/zinc/64/47/16/844644716.db2.gz ZMMLVTASRZPZHP-UHFFFAOYSA-N 1 1 394.479 3.633 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000573741774 844669229 /nfs/dbraw/zinc/66/92/29/844669229.db2.gz LZCAKVANGJBGSF-MQBCKMQZSA-N 1 1 383.414 3.977 20 5 GHBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1c1ccccc1 ZINC001167499370 845306458 /nfs/dbraw/zinc/30/64/58/845306458.db2.gz HMAXEJDIRWEGCQ-OXQOHEQNSA-N 1 1 379.460 3.610 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001128534799 861562990 /nfs/dbraw/zinc/56/29/90/861562990.db2.gz BUBQJKRANKYJBA-LJQANCHMSA-N 1 1 393.487 3.655 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000513398382 845354938 /nfs/dbraw/zinc/35/49/38/845354938.db2.gz RQKYGQIERYNFAR-SFHVURJKSA-N 1 1 378.856 3.899 20 5 GHBDMO COc1cccc(C(C)(C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000611560888 845434303 /nfs/dbraw/zinc/43/43/03/845434303.db2.gz XWZGJZKUCZGFRH-FQEVSTJZSA-N 1 1 394.475 3.994 20 5 GHBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000600309527 861571371 /nfs/dbraw/zinc/57/13/71/861571371.db2.gz BFIRFJQAGJZDRC-SFHVURJKSA-N 1 1 396.491 3.669 20 5 GHBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000600313099 861582653 /nfs/dbraw/zinc/58/26/53/861582653.db2.gz HQHGVPUSTVMQIF-SFHVURJKSA-N 1 1 397.475 3.636 20 5 GHBDMO C[C@H](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000472054299 845622066 /nfs/dbraw/zinc/62/20/66/845622066.db2.gz RAXLBEAZFGOARE-OAHLLOKOSA-N 1 1 380.448 3.717 20 5 GHBDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000047714858 845652242 /nfs/dbraw/zinc/65/22/42/845652242.db2.gz RZOBNVBOCKLJAZ-UHFFFAOYSA-N 1 1 389.402 3.576 20 5 GHBDMO O=C(c1cc(F)ccc1F)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534802 845771482 /nfs/dbraw/zinc/77/14/82/845771482.db2.gz XTNZJJLSWOKQCD-UHFFFAOYSA-N 1 1 390.386 3.847 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000599753845 861632206 /nfs/dbraw/zinc/63/22/06/861632206.db2.gz UCOJDZQJGLECBL-KRWDZBQOSA-N 1 1 398.463 3.616 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000599753845 861632214 /nfs/dbraw/zinc/63/22/14/861632214.db2.gz UCOJDZQJGLECBL-KRWDZBQOSA-N 1 1 398.463 3.616 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)n2)c1 ZINC000361998451 846278135 /nfs/dbraw/zinc/27/81/35/846278135.db2.gz SDUMOVFVVABVMP-LPHOPBHVSA-N 1 1 380.404 3.512 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000513691890 846369551 /nfs/dbraw/zinc/36/95/51/846369551.db2.gz XHURBXGEXKRNMR-INIZCTEOSA-N 1 1 376.869 3.965 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501004486 846535369 /nfs/dbraw/zinc/53/53/69/846535369.db2.gz AMRDOIQVDNHFRY-LJQANCHMSA-N 1 1 393.447 3.647 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421765832 846569553 /nfs/dbraw/zinc/56/95/53/846569553.db2.gz ANKPEHVPPWHMFR-LJQANCHMSA-N 1 1 396.491 3.733 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000501095205 846636056 /nfs/dbraw/zinc/63/60/56/846636056.db2.gz AVQPHPRTINTLCI-BXUZGUMPSA-N 1 1 399.289 3.694 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000503065730 846763599 /nfs/dbraw/zinc/76/35/99/846763599.db2.gz WFNNSWAMKDMPAT-FQEVSTJZSA-N 1 1 375.432 3.731 20 5 GHBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000183248387 846831836 /nfs/dbraw/zinc/83/18/36/846831836.db2.gz DYUKCQLBCKWWIO-TZIWHRDSSA-N 1 1 395.459 3.620 20 5 GHBDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000126354611 847016020 /nfs/dbraw/zinc/01/60/20/847016020.db2.gz UHMHGQTWGHQTIX-FQEVSTJZSA-N 1 1 383.448 3.614 20 5 GHBDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000126354611 847016040 /nfs/dbraw/zinc/01/60/40/847016040.db2.gz UHMHGQTWGHQTIX-FQEVSTJZSA-N 1 1 383.448 3.614 20 5 GHBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3C)CC[N@H+]2C2CC2)c1 ZINC000183278503 847026818 /nfs/dbraw/zinc/02/68/18/847026818.db2.gz SBSFGDMUDAHNGA-NHCUHLMSSA-N 1 1 395.459 3.620 20 5 GHBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000478506691 847105762 /nfs/dbraw/zinc/10/57/62/847105762.db2.gz KQUBTNSMRWEUKD-DNVCBOLYSA-N 1 1 397.475 3.552 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000511118891 847171892 /nfs/dbraw/zinc/17/18/92/847171892.db2.gz BNYLAGIUZBURLW-OAHLLOKOSA-N 1 1 398.381 3.528 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833912 861762935 /nfs/dbraw/zinc/76/29/35/861762935.db2.gz DBVRWHGFZPREQN-HNNXBMFYSA-N 1 1 383.452 3.672 20 5 GHBDMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511123760 847223452 /nfs/dbraw/zinc/22/34/52/847223452.db2.gz ROGZHEIESSMBLV-QGZVFWFLSA-N 1 1 387.505 3.667 20 5 GHBDMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511123760 847223462 /nfs/dbraw/zinc/22/34/62/847223462.db2.gz ROGZHEIESSMBLV-QGZVFWFLSA-N 1 1 387.505 3.667 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]3CCC[C@H]3OCc3ccccc3)n2)cc1 ZINC000503526728 847759252 /nfs/dbraw/zinc/75/92/52/847759252.db2.gz RSHQTASLCYFYBM-RBUKOAKNSA-N 1 1 394.431 3.872 20 5 GHBDMO Cc1c(CNC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000479728404 847822474 /nfs/dbraw/zinc/82/24/74/847822474.db2.gz HAXQAEGTZSLPPV-YLJYHZDGSA-N 1 1 396.491 3.613 20 5 GHBDMO CN(c1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000611704781 848039004 /nfs/dbraw/zinc/03/90/04/848039004.db2.gz CDPCVTXVIXMKKB-GOSISDBHSA-N 1 1 377.448 3.639 20 5 GHBDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000604126676 861858497 /nfs/dbraw/zinc/85/84/97/861858497.db2.gz QPLKRDFPSVJIBE-KRWDZBQOSA-N 1 1 382.464 3.573 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1[N+](=O)[O-] ZINC000612132006 848495489 /nfs/dbraw/zinc/49/54/89/848495489.db2.gz LGKAIHJFPFOVID-NSISKUIASA-N 1 1 397.450 3.764 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000132132399 861917215 /nfs/dbraw/zinc/91/72/15/861917215.db2.gz MKOLTAMDJQEMKO-FUHWJXTLSA-N 1 1 397.475 3.729 20 5 GHBDMO CCc1ccc([C@H](NCCN2CCC(OC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612410204 848602925 /nfs/dbraw/zinc/60/29/25/848602925.db2.gz DZOXKLXRPZYPKT-OAQYLSRUSA-N 1 1 387.480 3.540 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CCN2CCC(OC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612410204 848602929 /nfs/dbraw/zinc/60/29/29/848602929.db2.gz DZOXKLXRPZYPKT-OAQYLSRUSA-N 1 1 387.480 3.540 20 5 GHBDMO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000896841869 861930537 /nfs/dbraw/zinc/93/05/37/861930537.db2.gz XVUZIMBFEDSEOK-UHFFFAOYSA-N 1 1 382.264 3.656 20 5 GHBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000601669763 861942040 /nfs/dbraw/zinc/94/20/40/861942040.db2.gz GQBVQVSGNYPXFS-QGZVFWFLSA-N 1 1 397.450 3.766 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000278084008 849088893 /nfs/dbraw/zinc/08/88/93/849088893.db2.gz MPHYCOLXGJHITL-UHFFFAOYSA-N 1 1 375.812 3.635 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001167653913 849129342 /nfs/dbraw/zinc/12/93/42/849129342.db2.gz UOAXGUDWQWLHAG-SFHVURJKSA-N 1 1 383.448 3.612 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001167653913 849129351 /nfs/dbraw/zinc/12/93/51/849129351.db2.gz UOAXGUDWQWLHAG-SFHVURJKSA-N 1 1 383.448 3.612 20 5 GHBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000583237794 849405645 /nfs/dbraw/zinc/40/56/45/849405645.db2.gz OUVMHKJNJKHEGZ-GOSISDBHSA-N 1 1 391.830 3.954 20 5 GHBDMO Cc1cccc(-c2n[nH]cc2C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000505570837 849902492 /nfs/dbraw/zinc/90/24/92/849902492.db2.gz QELVSSMOKTYJKG-UHFFFAOYSA-N 1 1 377.448 3.616 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)[C@H](CC)Cc3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000505572483 849904953 /nfs/dbraw/zinc/90/49/53/849904953.db2.gz KQEISMTZYFDHJS-KNQAVFIVSA-N 1 1 395.503 3.899 20 5 GHBDMO COCC[N@@H+](C)CC[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000434948834 849938381 /nfs/dbraw/zinc/93/83/81/849938381.db2.gz XBYLEFHJMVQUNH-INIZCTEOSA-N 1 1 378.860 3.765 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000514529103 849973538 /nfs/dbraw/zinc/97/35/38/849973538.db2.gz ADBKAHKNCLAYFI-OAHLLOKOSA-N 1 1 379.526 3.846 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@H](c4ccc(Cl)cc4)C3)n2)cc1 ZINC000732187739 862112846 /nfs/dbraw/zinc/11/28/46/862112846.db2.gz ZEIUVYNAXVKPOG-INIZCTEOSA-N 1 1 383.839 3.954 20 5 GHBDMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000027574118 850424445 /nfs/dbraw/zinc/42/44/45/850424445.db2.gz HYQYXWNKLRPMCJ-UHFFFAOYSA-N 1 1 397.431 3.707 20 5 GHBDMO [NH3+]C[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435391156 850459012 /nfs/dbraw/zinc/45/90/12/850459012.db2.gz VMVQUIWOZWFRDL-QGZVFWFLSA-N 1 1 391.475 3.618 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000439935091 850605752 /nfs/dbraw/zinc/60/57/52/850605752.db2.gz UDKTUNUZVBJMBV-HNNXBMFYSA-N 1 1 378.473 3.627 20 5 GHBDMO CCOc1ccc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487253074 850622175 /nfs/dbraw/zinc/62/21/75/850622175.db2.gz UDDGSEOXFJELAG-LPHOPBHVSA-N 1 1 397.475 3.634 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000488055853 851127287 /nfs/dbraw/zinc/12/72/87/851127287.db2.gz JINUFOIDYRAOAS-DNVCBOLYSA-N 1 1 385.439 3.884 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000488055853 851127291 /nfs/dbraw/zinc/12/72/91/851127291.db2.gz JINUFOIDYRAOAS-DNVCBOLYSA-N 1 1 385.439 3.884 20 5 GHBDMO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000425464702 851198851 /nfs/dbraw/zinc/19/88/51/851198851.db2.gz XZLHMHGMLKARMY-IQMFZBJNSA-N 1 1 397.294 3.567 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000604474823 862219310 /nfs/dbraw/zinc/21/93/10/862219310.db2.gz ZMSNOYSUGJRPCA-KRWDZBQOSA-N 1 1 396.491 3.826 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000514104227 851242384 /nfs/dbraw/zinc/24/23/84/851242384.db2.gz HXKGGXUOEAPKDP-LJQANCHMSA-N 1 1 380.423 3.878 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000514184901 851337439 /nfs/dbraw/zinc/33/74/39/851337439.db2.gz AAFPSHWBVNBVFD-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CC2([S@](C)=O)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000436301535 851437589 /nfs/dbraw/zinc/43/75/89/851437589.db2.gz ZPUYKWCGGCVSNV-DWXRJYCRSA-N 1 1 376.478 3.730 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000505787023 851443881 /nfs/dbraw/zinc/44/38/81/851443881.db2.gz JFMDYCRYPAZXOQ-GJZGRUSLSA-N 1 1 379.526 3.947 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000488470907 851541871 /nfs/dbraw/zinc/54/18/71/851541871.db2.gz SBSPUYHVVUDTOR-OXQOHEQNSA-N 1 1 399.516 3.714 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC[NH2+]2)cc1 ZINC000505492080 851562069 /nfs/dbraw/zinc/56/20/69/851562069.db2.gz WDVMBSDTXIKYKM-XOBRGWDASA-N 1 1 385.439 3.573 20 5 GHBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@@H](C)C1 ZINC000488764985 851754282 /nfs/dbraw/zinc/75/42/82/851754282.db2.gz LZMVALYRGQAXDL-SQGPQFPESA-N 1 1 396.491 3.735 20 5 GHBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000516080546 852127270 /nfs/dbraw/zinc/12/72/70/852127270.db2.gz KWOVXKBRSCUBRB-IFXJQAMLSA-N 1 1 384.411 3.614 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000505855243 852140128 /nfs/dbraw/zinc/14/01/28/852140128.db2.gz BPDFRPONBZALOE-SJORKVTESA-N 1 1 383.448 3.631 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000505855243 852140130 /nfs/dbraw/zinc/14/01/30/852140130.db2.gz BPDFRPONBZALOE-SJORKVTESA-N 1 1 383.448 3.631 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cc2)C1 ZINC000516122721 852171770 /nfs/dbraw/zinc/17/17/70/852171770.db2.gz XUQAZBKALSBZHD-ZDUSSCGKSA-N 1 1 386.427 3.800 20 5 GHBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000516143950 852202056 /nfs/dbraw/zinc/20/20/56/852202056.db2.gz SPNWMVCZGNLOHV-UHFFFAOYSA-N 1 1 384.480 3.628 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425975945 852216554 /nfs/dbraw/zinc/21/65/54/852216554.db2.gz PBHBQPSOINODKX-XMSQKQJNSA-N 1 1 383.492 3.533 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425975945 852216563 /nfs/dbraw/zinc/21/65/63/852216563.db2.gz PBHBQPSOINODKX-XMSQKQJNSA-N 1 1 383.492 3.533 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425975945 852216568 /nfs/dbraw/zinc/21/65/68/852216568.db2.gz PBHBQPSOINODKX-XMSQKQJNSA-N 1 1 383.492 3.533 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438505680 852505231 /nfs/dbraw/zinc/50/52/31/852505231.db2.gz QJKRROPPGBTPLB-BTYIYWSLSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438505680 852505240 /nfs/dbraw/zinc/50/52/40/852505240.db2.gz QJKRROPPGBTPLB-BTYIYWSLSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438505684 852505259 /nfs/dbraw/zinc/50/52/59/852505259.db2.gz QJKRROPPGBTPLB-VFNWGFHPSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438505684 852505269 /nfs/dbraw/zinc/50/52/69/852505269.db2.gz QJKRROPPGBTPLB-VFNWGFHPSA-N 1 1 383.448 3.594 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425656886 852521184 /nfs/dbraw/zinc/52/11/84/852521184.db2.gz AECHYUDKYWNDEM-GHTZIAJQSA-N 1 1 394.475 3.950 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C2CC2)c1 ZINC000507172454 852643621 /nfs/dbraw/zinc/64/36/21/852643621.db2.gz CYKFAMKFYAIWOW-UHFFFAOYSA-N 1 1 392.415 3.878 20 5 GHBDMO CCC(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000516716308 852932783 /nfs/dbraw/zinc/93/27/83/852932783.db2.gz KWASCNJUFGNXNI-KRWDZBQOSA-N 1 1 398.891 3.507 20 5 GHBDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000506017709 852958590 /nfs/dbraw/zinc/95/85/90/852958590.db2.gz VDACCGRZETVART-UHFFFAOYSA-N 1 1 390.436 3.651 20 5 GHBDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000506017709 852958593 /nfs/dbraw/zinc/95/85/93/852958593.db2.gz VDACCGRZETVART-UHFFFAOYSA-N 1 1 390.436 3.651 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000120852338 852983223 /nfs/dbraw/zinc/98/32/23/852983223.db2.gz SSYMNTXIJIBOHF-KDOFPFPSSA-N 1 1 389.477 3.755 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000120852338 852983233 /nfs/dbraw/zinc/98/32/33/852983233.db2.gz SSYMNTXIJIBOHF-KDOFPFPSSA-N 1 1 389.477 3.755 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c([N+](=O)[O-])cc1F ZINC000550287643 853000041 /nfs/dbraw/zinc/00/00/41/853000041.db2.gz JKDBZGTYHWOCFK-LBPRGKRZSA-N 1 1 388.374 3.918 20 5 GHBDMO COc1c(C)cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000507605384 853082411 /nfs/dbraw/zinc/08/24/11/853082411.db2.gz ALHPYPRPNHRCQR-INIZCTEOSA-N 1 1 385.464 3.988 20 5 GHBDMO COc1c(C)cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000507605384 853082418 /nfs/dbraw/zinc/08/24/18/853082418.db2.gz ALHPYPRPNHRCQR-INIZCTEOSA-N 1 1 385.464 3.988 20 5 GHBDMO C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490779287 853256255 /nfs/dbraw/zinc/25/62/55/853256255.db2.gz AYIWYONJUHKCOS-WMZOPIPTSA-N 1 1 399.516 3.714 20 5 GHBDMO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000437590859 853306064 /nfs/dbraw/zinc/30/60/64/853306064.db2.gz ICUPTBDCSKSZAD-GOSISDBHSA-N 1 1 396.447 3.706 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000437590859 853306074 /nfs/dbraw/zinc/30/60/74/853306074.db2.gz ICUPTBDCSKSZAD-GOSISDBHSA-N 1 1 396.447 3.706 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000138797676 853408440 /nfs/dbraw/zinc/40/84/40/853408440.db2.gz AFOKDXMMSOQKIQ-IBGZPJMESA-N 1 1 381.432 3.694 20 5 GHBDMO C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000519757153 853467783 /nfs/dbraw/zinc/46/77/83/853467783.db2.gz GVLJIRNOGHOMBY-HXUWFJFHSA-N 1 1 387.867 3.572 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 ZINC000586778961 853542014 /nfs/dbraw/zinc/54/20/14/853542014.db2.gz KZGRCAYTMNLJTC-YPAWHYETSA-N 1 1 382.460 3.868 20 5 GHBDMO CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760654999 853631422 /nfs/dbraw/zinc/63/14/22/853631422.db2.gz HPACXDGJULGTLV-MRXNPFEDSA-N 1 1 387.867 3.985 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000591015047 853719307 /nfs/dbraw/zinc/71/93/07/853719307.db2.gz ZCYOCNIUEOXSJY-ZDUSSCGKSA-N 1 1 387.411 3.690 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438496524 854050172 /nfs/dbraw/zinc/05/01/72/854050172.db2.gz YKIVBJIKVMWHQJ-YCRPNKLZSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438496524 854050180 /nfs/dbraw/zinc/05/01/80/854050180.db2.gz YKIVBJIKVMWHQJ-YCRPNKLZSA-N 1 1 383.448 3.594 20 5 GHBDMO CC[C@@H](CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000843766082 854250537 /nfs/dbraw/zinc/25/05/37/854250537.db2.gz XRTFYFRIOMHURC-KRWDZBQOSA-N 1 1 385.439 3.609 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282494064 862554899 /nfs/dbraw/zinc/55/48/99/862554899.db2.gz QBPKPDNGZYKTLW-ZDUSSCGKSA-N 1 1 397.391 3.789 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)ccn1 ZINC000856534006 881344251 /nfs/dbraw/zinc/34/42/51/881344251.db2.gz BUXHVOIQOQATQS-QGZVFWFLSA-N 1 1 390.871 3.753 20 5 GHBDMO O=[N+]([O-])c1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)ccc1C(F)(F)F ZINC000589114005 854696343 /nfs/dbraw/zinc/69/63/43/854696343.db2.gz MENAXVIWLPTTEF-UHFFFAOYSA-N 1 1 381.354 3.641 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000589743929 855120794 /nfs/dbraw/zinc/12/07/94/855120794.db2.gz LOZWIDYZFRYNGZ-DFQSSKMNSA-N 1 1 389.496 3.637 20 5 GHBDMO O=C(c1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301486455 855142838 /nfs/dbraw/zinc/14/28/38/855142838.db2.gz ZXQXVABBTTZKJR-SFHVURJKSA-N 1 1 386.496 3.507 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000057004907 855163042 /nfs/dbraw/zinc/16/30/42/855163042.db2.gz WSGOEEHIXYQWCV-QGZVFWFLSA-N 1 1 396.491 3.826 20 5 GHBDMO Cc1cc(N2CCC(Nc3ccc4cc([N+](=O)[O-])ccc4n3)CC2)nc(C)[nH+]1 ZINC000301581618 855252348 /nfs/dbraw/zinc/25/23/48/855252348.db2.gz UWJDSWYVNNKXSA-UHFFFAOYSA-N 1 1 378.436 3.631 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000301572596 855255682 /nfs/dbraw/zinc/25/56/82/855255682.db2.gz PAAWPDVSNKETTO-UHFFFAOYSA-N 1 1 399.882 3.917 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000301572596 855255685 /nfs/dbraw/zinc/25/56/85/855255685.db2.gz PAAWPDVSNKETTO-UHFFFAOYSA-N 1 1 399.882 3.917 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159448134 862680668 /nfs/dbraw/zinc/68/06/68/862680668.db2.gz ULOLUAHFINJMAY-WDEREUQCSA-N 1 1 379.363 3.559 20 5 GHBDMO COC(=O)c1c(Cl)c(NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000590570139 855493301 /nfs/dbraw/zinc/49/33/01/855493301.db2.gz WFBSAHFPRRQXHY-AWEZNQCLSA-N 1 1 393.827 3.877 20 5 GHBDMO Cc1nc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)co1 ZINC000590605009 855527334 /nfs/dbraw/zinc/52/73/34/855527334.db2.gz WOVVDKDEWZERKJ-UHFFFAOYSA-N 1 1 398.488 3.938 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])[C@@H](C)C2)cc1 ZINC000441550156 855610439 /nfs/dbraw/zinc/61/04/39/855610439.db2.gz YUEVOLBDVHBCGB-HOTGVXAUSA-N 1 1 383.448 3.653 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])[C@@H](C)C2)cc1 ZINC000441550156 855610442 /nfs/dbraw/zinc/61/04/42/855610442.db2.gz YUEVOLBDVHBCGB-HOTGVXAUSA-N 1 1 383.448 3.653 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000129576537 855773757 /nfs/dbraw/zinc/77/37/57/855773757.db2.gz LMYSNEOOKBGSMY-NRFANRHFSA-N 1 1 386.448 3.529 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000129576537 855773763 /nfs/dbraw/zinc/77/37/63/855773763.db2.gz LMYSNEOOKBGSMY-NRFANRHFSA-N 1 1 386.448 3.529 20 5 GHBDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000216443626 856199416 /nfs/dbraw/zinc/19/94/16/856199416.db2.gz ZCZMULGEBMVYGQ-UHFFFAOYSA-N 1 1 379.888 3.909 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619993 856204971 /nfs/dbraw/zinc/20/49/71/856204971.db2.gz ZKVNHMCTLONDNL-UHFFFAOYSA-N 1 1 378.432 3.771 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619993 856204980 /nfs/dbraw/zinc/20/49/80/856204980.db2.gz ZKVNHMCTLONDNL-UHFFFAOYSA-N 1 1 378.432 3.771 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153815056 856223104 /nfs/dbraw/zinc/22/31/04/856223104.db2.gz AEPROSWMSIMELV-UNMCSNQZSA-N 1 1 395.459 3.695 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153815056 856223112 /nfs/dbraw/zinc/22/31/12/856223112.db2.gz AEPROSWMSIMELV-UNMCSNQZSA-N 1 1 395.459 3.695 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000274005999 856307039 /nfs/dbraw/zinc/30/70/39/856307039.db2.gz ZYGRIPGSDXVNLC-KBXCAEBGSA-N 1 1 387.386 3.630 20 5 GHBDMO COc1cc(Br)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1O ZINC000554872833 856381575 /nfs/dbraw/zinc/38/15/75/856381575.db2.gz CCLLOLHOIAGEAB-UHFFFAOYSA-N 1 1 395.253 3.746 20 5 GHBDMO COc1cc(Br)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1O ZINC000554872833 856381579 /nfs/dbraw/zinc/38/15/79/856381579.db2.gz CCLLOLHOIAGEAB-UHFFFAOYSA-N 1 1 395.253 3.746 20 5 GHBDMO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172468207 856449646 /nfs/dbraw/zinc/44/96/46/856449646.db2.gz ABFWNFUOAPDKNN-UHFFFAOYSA-N 1 1 398.410 3.678 20 5 GHBDMO CC(C)OCc1ccc(CNC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429233895 856500266 /nfs/dbraw/zinc/50/02/66/856500266.db2.gz FBUJMWYYQRGITI-UHFFFAOYSA-N 1 1 399.491 3.661 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2C[C@H](C)O)cc1OC ZINC000542918265 856811056 /nfs/dbraw/zinc/81/10/56/856811056.db2.gz WCRCBFUFFQTKER-ZOBUZTSGSA-N 1 1 380.485 3.764 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000544111000 856833081 /nfs/dbraw/zinc/83/30/81/856833081.db2.gz JLKDLSOOUDDSJO-VLIAUNLRSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000544111000 856833087 /nfs/dbraw/zinc/83/30/87/856833087.db2.gz JLKDLSOOUDDSJO-VLIAUNLRSA-N 1 1 383.448 3.933 20 5 GHBDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)CC2 ZINC000245455703 856876013 /nfs/dbraw/zinc/87/60/13/856876013.db2.gz SSHOKVIHSJQZEB-INMHGKMJSA-N 1 1 377.510 3.549 20 5 GHBDMO COc1cc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC000485720250 856991336 /nfs/dbraw/zinc/99/13/36/856991336.db2.gz XTUBEWGDCSTCHL-UHFFFAOYSA-N 1 1 378.375 3.925 20 5 GHBDMO COc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]2CCCO2)c1 ZINC000485738264 857017440 /nfs/dbraw/zinc/01/74/40/857017440.db2.gz NDLJRJUTGAZKMV-LJQANCHMSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]2CCCO2)c1 ZINC000485738264 857017459 /nfs/dbraw/zinc/01/74/59/857017459.db2.gz NDLJRJUTGAZKMV-LJQANCHMSA-N 1 1 386.448 3.793 20 5 GHBDMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245714369 857135871 /nfs/dbraw/zinc/13/58/71/857135871.db2.gz PTJNXBMCLADXHR-MEDUHNTESA-N 1 1 397.859 3.872 20 5 GHBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245714369 857135877 /nfs/dbraw/zinc/13/58/77/857135877.db2.gz PTJNXBMCLADXHR-MEDUHNTESA-N 1 1 397.859 3.872 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)s1 ZINC000593030775 857186469 /nfs/dbraw/zinc/18/64/69/857186469.db2.gz MUZDJQSTMPDNAQ-HNNXBMFYSA-N 1 1 399.520 3.795 20 5 GHBDMO CCc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000174041627 857201864 /nfs/dbraw/zinc/20/18/64/857201864.db2.gz BIPPFYWHGYGQDS-UHFFFAOYSA-N 1 1 385.439 3.644 20 5 GHBDMO CCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000174041627 857201867 /nfs/dbraw/zinc/20/18/67/857201867.db2.gz BIPPFYWHGYGQDS-UHFFFAOYSA-N 1 1 385.439 3.644 20 5 GHBDMO COc1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000542965087 857222604 /nfs/dbraw/zinc/22/26/04/857222604.db2.gz QYUYTLHYZLZBBR-UHFFFAOYSA-N 1 1 386.452 3.765 20 5 GHBDMO CCOC[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000246140932 857248396 /nfs/dbraw/zinc/24/83/96/857248396.db2.gz GERPGAHEDJTIRG-DYESRHJHSA-N 1 1 397.475 3.941 20 5 GHBDMO CCOC[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000246140932 857248401 /nfs/dbraw/zinc/24/84/01/857248401.db2.gz GERPGAHEDJTIRG-DYESRHJHSA-N 1 1 397.475 3.941 20 5 GHBDMO CC[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000046310138 857263914 /nfs/dbraw/zinc/26/39/14/857263914.db2.gz LWYBJICTJHMPMR-FQEVSTJZSA-N 1 1 396.491 3.573 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246173940 857265098 /nfs/dbraw/zinc/26/50/98/857265098.db2.gz CVEPUGPGCIVWEJ-UIFIKXQLSA-N 1 1 397.475 3.676 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000520891329 857369049 /nfs/dbraw/zinc/36/90/49/857369049.db2.gz OMXKISXMERDGRY-HNNXBMFYSA-N 1 1 380.448 3.553 20 5 GHBDMO CC(=O)Nc1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000113317105 857424286 /nfs/dbraw/zinc/42/42/86/857424286.db2.gz GTEUYGLOXMZENJ-UHFFFAOYSA-N 1 1 382.445 3.967 20 5 GHBDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000301790919 857768226 /nfs/dbraw/zinc/76/82/26/857768226.db2.gz NUUCRPCICFYMFX-QRWLVFNGSA-N 1 1 383.496 3.739 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065868491 857867785 /nfs/dbraw/zinc/86/77/85/857867785.db2.gz YFIYKWWZZFSWDZ-UHFFFAOYSA-N 1 1 394.475 3.706 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000114193564 857935651 /nfs/dbraw/zinc/93/56/51/857935651.db2.gz KWYWBNUYUCDJFT-OAQYLSRUSA-N 1 1 397.475 3.604 20 5 GHBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442825323 858149902 /nfs/dbraw/zinc/14/99/02/858149902.db2.gz UTMMWBMPLJWDRE-UHFFFAOYSA-N 1 1 383.473 3.738 20 5 GHBDMO COc1cc(C[N@H+](C[C@@H](C)O)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000594613253 858241772 /nfs/dbraw/zinc/24/17/72/858241772.db2.gz BDXHMXBJGNMVRJ-OAHLLOKOSA-N 1 1 386.448 3.528 20 5 GHBDMO COc1cc(C[N@@H+](C[C@@H](C)O)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000594613253 858241775 /nfs/dbraw/zinc/24/17/75/858241775.db2.gz BDXHMXBJGNMVRJ-OAHLLOKOSA-N 1 1 386.448 3.528 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000066853206 858322010 /nfs/dbraw/zinc/32/20/10/858322010.db2.gz KQNMNNLVJMVQPE-MGPUTAFESA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000066853206 858322017 /nfs/dbraw/zinc/32/20/17/858322017.db2.gz KQNMNNLVJMVQPE-MGPUTAFESA-N 1 1 383.448 3.694 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592882399 858336300 /nfs/dbraw/zinc/33/63/00/858336300.db2.gz RXRSTPWGJTYHMF-MDYRTPRTSA-N 1 1 399.516 3.537 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592883510 858336815 /nfs/dbraw/zinc/33/68/15/858336815.db2.gz ZVWNYKZAINULPZ-APWZRJJASA-N 1 1 399.516 3.782 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439099047 858340131 /nfs/dbraw/zinc/34/01/31/858340131.db2.gz KDOKWTULEGFOKO-HNNXBMFYSA-N 1 1 382.464 3.680 20 5 GHBDMO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000159795275 863012222 /nfs/dbraw/zinc/01/22/22/863012222.db2.gz HTJAFBGAIMVGRK-UHFFFAOYSA-N 1 1 382.873 3.596 20 5 GHBDMO CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000159795275 863012231 /nfs/dbraw/zinc/01/22/31/863012231.db2.gz HTJAFBGAIMVGRK-UHFFFAOYSA-N 1 1 382.873 3.596 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000595006179 858364715 /nfs/dbraw/zinc/36/47/15/858364715.db2.gz GIKVXNWGUPLZQK-LLVKDONJSA-N 1 1 385.342 3.790 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067066394 858413866 /nfs/dbraw/zinc/41/38/66/858413866.db2.gz FJUHWFJUXQAIFO-UHFFFAOYSA-N 1 1 396.491 3.648 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000765973027 858428107 /nfs/dbraw/zinc/42/81/07/858428107.db2.gz VCLKMXBDNBQQAN-GDBMZVCRSA-N 1 1 390.461 3.876 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000765973027 858428111 /nfs/dbraw/zinc/42/81/11/858428111.db2.gz VCLKMXBDNBQQAN-GDBMZVCRSA-N 1 1 390.461 3.876 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000595314032 858469420 /nfs/dbraw/zinc/46/94/20/858469420.db2.gz DEUZYDUDHLSCOZ-UHFFFAOYSA-N 1 1 383.221 3.530 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000115553820 858566724 /nfs/dbraw/zinc/56/67/24/858566724.db2.gz LPHASPQSZCCUMZ-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO C[C@H]1[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000575084827 858578857 /nfs/dbraw/zinc/57/88/57/858578857.db2.gz IEYITKUKWHNLHQ-OXJNMPFZSA-N 1 1 396.491 3.792 20 5 GHBDMO C[C@@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCc2ccccc21 ZINC000593091874 858631955 /nfs/dbraw/zinc/63/19/55/858631955.db2.gz QNZZRZMOOXQXDH-OAHLLOKOSA-N 1 1 381.432 3.555 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595784889 858687274 /nfs/dbraw/zinc/68/72/74/858687274.db2.gz CFNXJSDYWCVPGI-VQIMIIECSA-N 1 1 375.469 3.513 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)c2c(c1)COCO2 ZINC000595828071 858700496 /nfs/dbraw/zinc/70/04/96/858700496.db2.gz HVCWECFTSCFQNC-UHFFFAOYSA-N 1 1 396.443 3.821 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000543173460 858727875 /nfs/dbraw/zinc/72/78/75/858727875.db2.gz VLHJVAVKQAMOMW-AUUYWEPGSA-N 1 1 399.447 3.634 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000543173460 858727880 /nfs/dbraw/zinc/72/78/80/858727880.db2.gz VLHJVAVKQAMOMW-AUUYWEPGSA-N 1 1 399.447 3.634 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000080046330 858771667 /nfs/dbraw/zinc/77/16/67/858771667.db2.gz AINOMJCRUHZTTO-MRXNPFEDSA-N 1 1 376.501 3.809 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3sccc3[N+](=O)[O-])C2)ccn1 ZINC000856535177 881347736 /nfs/dbraw/zinc/34/77/36/881347736.db2.gz QHGPWBZEPPRITG-MRXNPFEDSA-N 1 1 376.482 3.549 20 5 GHBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000556992779 881355392 /nfs/dbraw/zinc/35/53/92/881355392.db2.gz UCBBJTWYTAUBOK-UHFFFAOYSA-N 1 1 391.487 3.806 20 5 GHBDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543208389 858891758 /nfs/dbraw/zinc/89/17/58/858891758.db2.gz BAYUIRFGZSQXPB-GOSISDBHSA-N 1 1 390.505 3.712 20 5 GHBDMO O=C(c1cc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596557796 858934389 /nfs/dbraw/zinc/93/43/89/858934389.db2.gz LLDPUZSVUXIUCP-IBGZPJMESA-N 1 1 394.475 3.517 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000543254234 859061392 /nfs/dbraw/zinc/06/13/92/859061392.db2.gz VCTCOYKVYQWZLB-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596829510 859112634 /nfs/dbraw/zinc/11/26/34/859112634.db2.gz PHQXFPNFFCRZHA-KRWDZBQOSA-N 1 1 386.496 3.676 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC001307596286 859129703 /nfs/dbraw/zinc/12/97/03/859129703.db2.gz FAJFNMJNSIMOOH-UHFFFAOYSA-N 1 1 385.287 3.588 20 5 GHBDMO COc1ccc2c(c1)CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000597212649 859350334 /nfs/dbraw/zinc/35/03/34/859350334.db2.gz WNZFCJIIEDPFJY-UHFFFAOYSA-N 1 1 378.432 3.562 20 5 GHBDMO CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127775671 859486381 /nfs/dbraw/zinc/48/63/81/859486381.db2.gz GIZVVHUGCWIPLL-FDFHNCONSA-N 1 1 393.487 3.821 20 5 GHBDMO O=[N+]([O-])c1c(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc2sccn21 ZINC000474169005 859495415 /nfs/dbraw/zinc/49/54/15/859495415.db2.gz JFDRBTDKMPLRQL-HXUWFJFHSA-N 1 1 397.504 3.797 20 5 GHBDMO C[C@H]1c2ccccc2OCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611262745 859671919 /nfs/dbraw/zinc/67/19/19/859671919.db2.gz RRBHNJGYQJAGIY-HNNXBMFYSA-N 1 1 378.432 3.951 20 5 GHBDMO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611262745 859671924 /nfs/dbraw/zinc/67/19/24/859671924.db2.gz RRBHNJGYQJAGIY-HNNXBMFYSA-N 1 1 378.432 3.951 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611266515 859673879 /nfs/dbraw/zinc/67/38/79/859673879.db2.gz NTGGRJJOJPSDJS-QGZVFWFLSA-N 1 1 384.432 3.582 20 5 GHBDMO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000611379896 859728807 /nfs/dbraw/zinc/72/88/07/859728807.db2.gz KEESMZMDXFKORV-MRXNPFEDSA-N 1 1 391.855 3.614 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(NCCc3c[nH+]cn3C)c([N+](=O)[O-])c2)cc1 ZINC000543443799 859739682 /nfs/dbraw/zinc/73/96/82/859739682.db2.gz YSZWSKYONVCFST-UHFFFAOYSA-N 1 1 379.420 3.544 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000611526570 859794547 /nfs/dbraw/zinc/79/45/47/859794547.db2.gz USQPMXSKYCEBTF-UHFFFAOYSA-N 1 1 381.354 3.641 20 5 GHBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000593416947 859810932 /nfs/dbraw/zinc/81/09/32/859810932.db2.gz FTNFOZWXQYDGHC-UHFFFAOYSA-N 1 1 392.456 3.748 20 5 GHBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474328700 859861579 /nfs/dbraw/zinc/86/15/79/859861579.db2.gz GMHYLPVYRROZMA-INIZCTEOSA-N 1 1 388.855 3.986 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597859910 859876871 /nfs/dbraw/zinc/87/68/71/859876871.db2.gz HVDYKJGFZBVJHB-CQSZACIVSA-N 1 1 379.526 3.946 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000597861885 859877781 /nfs/dbraw/zinc/87/77/81/859877781.db2.gz XRXSDISPCWWTFP-KRWDZBQOSA-N 1 1 397.475 3.776 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)nccc2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000593467225 859890370 /nfs/dbraw/zinc/89/03/70/859890370.db2.gz JZPRWZMTVBIWGJ-IBGZPJMESA-N 1 1 392.459 3.712 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000727138114 859946644 /nfs/dbraw/zinc/94/66/44/859946644.db2.gz PWLUUEIOAUGIBW-KRWDZBQOSA-N 1 1 377.485 3.716 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1Br ZINC000602479894 860050042 /nfs/dbraw/zinc/05/00/42/860050042.db2.gz RRGUTFBWQVIGCF-NSHDSACASA-N 1 1 375.288 3.667 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1Br ZINC000602479894 860050046 /nfs/dbraw/zinc/05/00/46/860050046.db2.gz RRGUTFBWQVIGCF-NSHDSACASA-N 1 1 375.288 3.667 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001170351758 881497269 /nfs/dbraw/zinc/49/72/69/881497269.db2.gz IADQZPCMPWMPMB-VFNWGFHPSA-N 1 1 388.439 3.921 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001170351758 881497343 /nfs/dbraw/zinc/49/73/43/881497343.db2.gz IADQZPCMPWMPMB-VFNWGFHPSA-N 1 1 388.439 3.921 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000602672315 860190776 /nfs/dbraw/zinc/19/07/76/860190776.db2.gz WSXBKAITNRFJHD-UHFFFAOYSA-N 1 1 380.370 3.899 20 5 GHBDMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000484640696 860192701 /nfs/dbraw/zinc/19/27/01/860192701.db2.gz HCPURYQKCWWSCW-AWEZNQCLSA-N 1 1 379.416 3.923 20 5 GHBDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000484640696 860192702 /nfs/dbraw/zinc/19/27/02/860192702.db2.gz HCPURYQKCWWSCW-AWEZNQCLSA-N 1 1 379.416 3.923 20 5 GHBDMO Cn1cc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093341726 860253745 /nfs/dbraw/zinc/25/37/45/860253745.db2.gz ZPVUZCGGOFLTLN-QFIPXVFZSA-N 1 1 392.459 3.743 20 5 GHBDMO Cn1cc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093341726 860253756 /nfs/dbraw/zinc/25/37/56/860253756.db2.gz ZPVUZCGGOFLTLN-QFIPXVFZSA-N 1 1 392.459 3.743 20 5 GHBDMO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000484700839 860263523 /nfs/dbraw/zinc/26/35/23/860263523.db2.gz SFQSLIYZEACCIE-QWXGXRTQSA-N 1 1 375.494 3.562 20 5 GHBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000484700839 860263530 /nfs/dbraw/zinc/26/35/30/860263530.db2.gz SFQSLIYZEACCIE-QWXGXRTQSA-N 1 1 375.494 3.562 20 5 GHBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093420293 860269826 /nfs/dbraw/zinc/26/98/26/860269826.db2.gz PAFBRZWURFWXQU-OLZOCXBDSA-N 1 1 382.507 3.577 20 5 GHBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093420293 860269837 /nfs/dbraw/zinc/26/98/37/860269837.db2.gz PAFBRZWURFWXQU-OLZOCXBDSA-N 1 1 382.507 3.577 20 5 GHBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000093717354 860336176 /nfs/dbraw/zinc/33/61/76/860336176.db2.gz YGCNJHCECXNOAS-UHFFFAOYSA-N 1 1 391.855 3.999 20 5 GHBDMO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H](O)Cc1ccccc1 ZINC000552292095 860409749 /nfs/dbraw/zinc/40/97/49/860409749.db2.gz FVBQOLIYJVNISO-IBGZPJMESA-N 1 1 383.473 3.754 20 5 GHBDMO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H](O)Cc1ccccc1 ZINC000552292095 860409763 /nfs/dbraw/zinc/40/97/63/860409763.db2.gz FVBQOLIYJVNISO-IBGZPJMESA-N 1 1 383.473 3.754 20 5 GHBDMO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](O)Cc1ccccc1 ZINC000552292096 860410608 /nfs/dbraw/zinc/41/06/08/860410608.db2.gz FVBQOLIYJVNISO-LJQANCHMSA-N 1 1 383.473 3.754 20 5 GHBDMO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](O)Cc1ccccc1 ZINC000552292096 860410619 /nfs/dbraw/zinc/41/06/19/860410619.db2.gz FVBQOLIYJVNISO-LJQANCHMSA-N 1 1 383.473 3.754 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598651044 860482991 /nfs/dbraw/zinc/48/29/91/860482991.db2.gz QFRNOMYNPIUEDI-BLIXFSHQSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598651044 860483000 /nfs/dbraw/zinc/48/30/00/860483000.db2.gz QFRNOMYNPIUEDI-BLIXFSHQSA-N 1 1 397.475 3.533 20 5 GHBDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000552407847 860523985 /nfs/dbraw/zinc/52/39/85/860523985.db2.gz HDGBCKRHAFWAPI-LJQANCHMSA-N 1 1 375.494 3.949 20 5 GHBDMO Cc1nn(CN2CCC[N@@H+](CC3CCCCC3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761292299 860658196 /nfs/dbraw/zinc/65/81/96/860658196.db2.gz YRNOPEPKJYKLLX-UHFFFAOYSA-N 1 1 385.512 3.798 20 5 GHBDMO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000429019305 860706175 /nfs/dbraw/zinc/70/61/75/860706175.db2.gz ITTYPMHAUJANBK-BMIGLBTASA-N 1 1 383.217 3.881 20 5 GHBDMO COC(=O)c1cc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc(C)c1[N+](=O)[O-] ZINC000474781346 860769179 /nfs/dbraw/zinc/76/91/79/860769179.db2.gz SKYFAVLKDABTNT-GOSISDBHSA-N 1 1 397.475 3.666 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000555417813 860869358 /nfs/dbraw/zinc/86/93/58/860869358.db2.gz OVBICEWFGUGFLR-ZDUSSCGKSA-N 1 1 388.386 3.631 20 5 GHBDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000603603846 860891226 /nfs/dbraw/zinc/89/12/26/860891226.db2.gz XQFRAYFBADYYPR-WIBUTAKZSA-N 1 1 386.448 3.716 20 5 GHBDMO CNC(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000555461996 860955367 /nfs/dbraw/zinc/95/53/67/860955367.db2.gz BBLMNCFDQCQSQH-INIZCTEOSA-N 1 1 381.354 3.581 20 5 GHBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609193888 881617922 /nfs/dbraw/zinc/61/79/22/881617922.db2.gz WSNZWGIQWNJRCQ-IAGOWNOFSA-N 1 1 391.512 3.899 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c2ccncc21 ZINC000302049814 861183331 /nfs/dbraw/zinc/18/33/31/861183331.db2.gz NGGDPFMGSGPSNK-SFHVURJKSA-N 1 1 392.459 3.712 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000251516061 863204734 /nfs/dbraw/zinc/20/47/34/863204734.db2.gz CJTUFLYKQGYRRO-QFBILLFUSA-N 1 1 391.512 3.585 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC[N@H+]1C ZINC000444086645 863357850 /nfs/dbraw/zinc/35/78/50/863357850.db2.gz JMEHWPJCRCFZFH-TZMCWYRMSA-N 1 1 399.441 3.514 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)OC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594058906 863940374 /nfs/dbraw/zinc/94/03/74/863940374.db2.gz ULDGPWDOZSXMRY-HNNXBMFYSA-N 1 1 375.469 3.655 20 5 GHBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734145308 864033333 /nfs/dbraw/zinc/03/33/33/864033333.db2.gz NNANZYHWRGJSIT-IBGZPJMESA-N 1 1 394.475 3.564 20 5 GHBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000475097200 864184561 /nfs/dbraw/zinc/18/45/61/864184561.db2.gz YEOGWKVMFNBUAQ-QKVQGTQPSA-N 1 1 390.484 3.609 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)C1 ZINC000734482678 864247728 /nfs/dbraw/zinc/24/77/28/864247728.db2.gz SIHNUDPKFWDCHY-ZFWWWQNUSA-N 1 1 378.498 3.753 20 5 GHBDMO C[C@@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000184412708 864432480 /nfs/dbraw/zinc/43/24/80/864432480.db2.gz CQCJFRQLILUDFO-HZPDHXFCSA-N 1 1 387.455 3.864 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC([C@@H](O)c4ccccc4)CC3)n2)c1 ZINC000025938272 864810019 /nfs/dbraw/zinc/81/00/19/864810019.db2.gz JGRSQHROMJOOQV-FQEVSTJZSA-N 1 1 394.431 3.590 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186328157 864830756 /nfs/dbraw/zinc/83/07/56/864830756.db2.gz DLPMGABSZKASNT-OAQYLSRUSA-N 1 1 396.491 3.647 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(C)C ZINC000608838735 865740850 /nfs/dbraw/zinc/74/08/50/865740850.db2.gz DPGIQXAJOXHRGC-MRXNPFEDSA-N 1 1 399.495 3.623 20 5 GHBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000609874171 865807101 /nfs/dbraw/zinc/80/71/01/865807101.db2.gz RJRFHZIDXQUEOT-UHFFFAOYSA-N 1 1 379.888 3.976 20 5 GHBDMO C[C@@H]1C[C@H](N(C)c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000737414462 866212283 /nfs/dbraw/zinc/21/22/83/866212283.db2.gz ZGDVCJHTHOEWHI-SJLPKXTDSA-N 1 1 379.464 3.732 20 5 GHBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000552793062 866237037 /nfs/dbraw/zinc/23/70/37/866237037.db2.gz DLNLEBZHEYEPRK-UHFFFAOYSA-N 1 1 391.431 3.801 20 5 GHBDMO O=[N+]([O-])c1c(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc2sccn21 ZINC000534243946 866359094 /nfs/dbraw/zinc/35/90/94/866359094.db2.gz FGWGYMIIDBYWSV-UHFFFAOYSA-N 1 1 397.504 3.797 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183209171 866375855 /nfs/dbraw/zinc/37/58/55/866375855.db2.gz FQVPTXVSFCPQGT-HXUWFJFHSA-N 1 1 396.422 3.788 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000475575144 866387144 /nfs/dbraw/zinc/38/71/44/866387144.db2.gz YZICYTGQLPENMV-LPHOPBHVSA-N 1 1 382.464 3.854 20 5 GHBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000609063351 866420541 /nfs/dbraw/zinc/42/05/41/866420541.db2.gz BBSGYZRQBMNHDH-UHFFFAOYSA-N 1 1 383.448 3.974 20 5 GHBDMO COc1ccccc1[C@@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[NH+](C)C ZINC000475583786 866431794 /nfs/dbraw/zinc/43/17/94/866431794.db2.gz NBMVZCQPPXUXDB-GOSISDBHSA-N 1 1 386.452 3.645 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)ccc1Cl ZINC000274864138 866484469 /nfs/dbraw/zinc/48/44/69/866484469.db2.gz CCEJBLJQAMYDKP-UHFFFAOYSA-N 1 1 375.860 3.556 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[C@H]1c1cccs1 ZINC000741606858 866654292 /nfs/dbraw/zinc/65/42/92/866654292.db2.gz RSPXLQKUNDFNRG-PXAZEXFGSA-N 1 1 377.441 3.608 20 5 GHBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000444647383 867002062 /nfs/dbraw/zinc/00/20/62/867002062.db2.gz DYQJRRMTXLZZDQ-GOSISDBHSA-N 1 1 379.464 3.568 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H]2CCc2ccccc2)nc1-c1ccncc1 ZINC000742145484 867078797 /nfs/dbraw/zinc/07/87/97/867078797.db2.gz KSJNYATTZHTVOA-IBGZPJMESA-N 1 1 377.448 3.908 20 5 GHBDMO C[C@H]1C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1c1ccccc1 ZINC000742165952 867088624 /nfs/dbraw/zinc/08/86/24/867088624.db2.gz MVAWWHRKGFAXFY-JXFKEZNVSA-N 1 1 377.448 3.936 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000183694717 867276435 /nfs/dbraw/zinc/27/64/35/867276435.db2.gz BHQAUSHXEXMMHI-AWEZNQCLSA-N 1 1 399.944 3.825 20 5 GHBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000742485051 867336709 /nfs/dbraw/zinc/33/67/09/867336709.db2.gz IXUFDTGQNZCFEM-YPNIWSFNSA-N 1 1 379.460 3.636 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000523488139 867389744 /nfs/dbraw/zinc/38/97/44/867389744.db2.gz SEVQJYSRFYTGLG-ROUUACIJSA-N 1 1 387.524 3.985 20 5 GHBDMO CCC(=O)c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000479362961 867670762 /nfs/dbraw/zinc/67/07/62/867670762.db2.gz FOSXLBMRIKITCP-UHFFFAOYSA-N 1 1 383.448 3.632 20 5 GHBDMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000523705101 867781935 /nfs/dbraw/zinc/78/19/35/867781935.db2.gz AIFIBUJVDMFFOG-UZLBHIALSA-N 1 1 382.464 3.620 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857244374 882138162 /nfs/dbraw/zinc/13/81/62/882138162.db2.gz HWEXTJNEPGVAHN-HXUWFJFHSA-N 1 1 381.476 3.719 20 5 GHBDMO C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000445343028 868291343 /nfs/dbraw/zinc/29/13/43/868291343.db2.gz QAVLBCADFZAKKT-INIZCTEOSA-N 1 1 379.460 3.603 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000743782709 868411676 /nfs/dbraw/zinc/41/16/76/868411676.db2.gz ZHQIAYGWAMIZMB-KRWDZBQOSA-N 1 1 385.439 3.718 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)c2c(c1)COCO2 ZINC000121576344 868565692 /nfs/dbraw/zinc/56/56/92/868565692.db2.gz MNORTFHRFAAMGA-UHFFFAOYSA-N 1 1 389.496 3.549 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000021920790 869058847 /nfs/dbraw/zinc/05/88/47/869058847.db2.gz SZESPZYIQMCSDG-LBPRGKRZSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000021920790 869058856 /nfs/dbraw/zinc/05/88/56/869058856.db2.gz SZESPZYIQMCSDG-LBPRGKRZSA-N 1 1 392.253 3.816 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000462601842 869746912 /nfs/dbraw/zinc/74/69/12/869746912.db2.gz JPSZQZBQVAXJRI-GOSISDBHSA-N 1 1 387.455 3.551 20 5 GHBDMO COc1cc(CNCC[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525288223 870292132 /nfs/dbraw/zinc/29/21/32/870292132.db2.gz IUNYSJFXWACLQK-KRWDZBQOSA-N 1 1 399.491 3.614 20 5 GHBDMO COc1cc(C[NH2+]CCN2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525288223 870292147 /nfs/dbraw/zinc/29/21/47/870292147.db2.gz IUNYSJFXWACLQK-KRWDZBQOSA-N 1 1 399.491 3.614 20 5 GHBDMO Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736610 870483735 /nfs/dbraw/zinc/48/37/35/870483735.db2.gz RDGQFLISKVQSSJ-OAHLLOKOSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736610 870483744 /nfs/dbraw/zinc/48/37/44/870483744.db2.gz RDGQFLISKVQSSJ-OAHLLOKOSA-N 1 1 391.269 3.747 20 5 GHBDMO C[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000446838886 870558868 /nfs/dbraw/zinc/55/88/68/870558868.db2.gz NBWXLIBJDCJVBO-RDJZCZTQSA-N 1 1 379.464 3.614 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000617698863 870751535 /nfs/dbraw/zinc/75/15/35/870751535.db2.gz ZFKZZSJEZDTUEW-GOSISDBHSA-N 1 1 381.476 3.741 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000540233951 870788235 /nfs/dbraw/zinc/78/82/35/870788235.db2.gz ZMHGDBDNDBHECX-UHFFFAOYSA-N 1 1 375.513 3.744 20 5 GHBDMO Cc1ccc(CCC[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC001193177446 870910863 /nfs/dbraw/zinc/91/08/63/870910863.db2.gz ZJKKUHRYCDHTNN-UHFFFAOYSA-N 1 1 393.491 3.924 20 5 GHBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461783626 870951529 /nfs/dbraw/zinc/95/15/29/870951529.db2.gz FRAFCXABESHHPH-CYBMUJFWSA-N 1 1 388.434 3.608 20 5 GHBDMO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169021993 871124840 /nfs/dbraw/zinc/12/48/40/871124840.db2.gz MBBJRYCPHMFYMG-WUOIFLIFSA-N 1 1 377.554 3.726 20 5 GHBDMO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169021993 871124849 /nfs/dbraw/zinc/12/48/49/871124849.db2.gz MBBJRYCPHMFYMG-WUOIFLIFSA-N 1 1 377.554 3.726 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000463278547 871314928 /nfs/dbraw/zinc/31/49/28/871314928.db2.gz NRHYDYBQPCYADC-OXQOHEQNSA-N 1 1 396.491 3.650 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cccs1 ZINC000019537839 871426810 /nfs/dbraw/zinc/42/68/10/871426810.db2.gz HHRIMAOKBAHTEO-UHFFFAOYSA-N 1 1 398.282 3.879 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cccs1 ZINC000019537839 871426822 /nfs/dbraw/zinc/42/68/22/871426822.db2.gz HHRIMAOKBAHTEO-UHFFFAOYSA-N 1 1 398.282 3.879 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CCCCC1 ZINC000921028163 882513731 /nfs/dbraw/zinc/51/37/31/882513731.db2.gz QLXXJCNQNGFGTG-UHFFFAOYSA-N 1 1 388.512 3.579 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000540588083 871687953 /nfs/dbraw/zinc/68/79/53/871687953.db2.gz VLPDGRNVCWOAPI-SJLPKXTDSA-N 1 1 397.475 3.776 20 5 GHBDMO COC(=O)c1ccc(OC)c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001194477215 871738499 /nfs/dbraw/zinc/73/84/99/871738499.db2.gz IPNKTXGKKIGLRJ-QGZVFWFLSA-N 1 1 384.432 3.770 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+]([C@@H]4CCc5ccccc54)CC3)nc2c1 ZINC000618754238 871952904 /nfs/dbraw/zinc/95/29/04/871952904.db2.gz AEQGXLIUFOSCJR-HXUWFJFHSA-N 1 1 377.448 3.671 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447679405 872089770 /nfs/dbraw/zinc/08/97/70/872089770.db2.gz NUGWAFQBKBHLFM-UHFFFAOYSA-N 1 1 379.464 3.820 20 5 GHBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001195021841 872105838 /nfs/dbraw/zinc/10/58/38/872105838.db2.gz ICSIADFJAKLUCX-UXHICEINSA-N 1 1 388.489 3.637 20 5 GHBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001195021841 872105848 /nfs/dbraw/zinc/10/58/48/872105848.db2.gz ICSIADFJAKLUCX-UXHICEINSA-N 1 1 388.489 3.637 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)nc2c1 ZINC000447685290 872163331 /nfs/dbraw/zinc/16/33/31/872163331.db2.gz JSKNMJFUCJHBEX-UWJYYQICSA-N 1 1 391.475 3.962 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H]2CCCC[C@@H]12 ZINC001195902988 872745342 /nfs/dbraw/zinc/74/53/42/872745342.db2.gz QMHXPPINQMYEBI-IPMKNSEASA-N 1 1 390.480 3.936 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475714444 882649117 /nfs/dbraw/zinc/64/91/17/882649117.db2.gz IGXCUFIZNAFXHC-MAUKXSAKSA-N 1 1 384.432 3.525 20 5 GHBDMO CC1(C)C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000448373903 873288167 /nfs/dbraw/zinc/28/81/67/873288167.db2.gz REKRYFPGEGNRSM-HXUWFJFHSA-N 1 1 392.459 3.650 20 5 GHBDMO C[N@@H+](CCOc1ccc(Cl)cc1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026226454 873729216 /nfs/dbraw/zinc/72/92/16/873729216.db2.gz VJIIACHANBUMKC-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000769342362 873986039 /nfs/dbraw/zinc/98/60/39/873986039.db2.gz LJHCWHYSDPSICS-SFHVURJKSA-N 1 1 383.448 3.832 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001197863945 874102667 /nfs/dbraw/zinc/10/26/67/874102667.db2.gz JOBLSYDFOSCTJO-HUUCEWRRSA-N 1 1 388.493 3.641 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001197863945 874102673 /nfs/dbraw/zinc/10/26/73/874102673.db2.gz JOBLSYDFOSCTJO-HUUCEWRRSA-N 1 1 388.493 3.641 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541703435 874144251 /nfs/dbraw/zinc/14/42/51/874144251.db2.gz HLLPTUHDTJNATQ-FQEVSTJZSA-N 1 1 397.475 3.565 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC ZINC000537648011 882817273 /nfs/dbraw/zinc/81/72/73/882817273.db2.gz LJUICRAGOYSNRS-INIZCTEOSA-N 1 1 392.839 3.919 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC ZINC000537648011 882817284 /nfs/dbraw/zinc/81/72/84/882817284.db2.gz LJUICRAGOYSNRS-INIZCTEOSA-N 1 1 392.839 3.919 20 5 GHBDMO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1ccccc1 ZINC000770040213 874420902 /nfs/dbraw/zinc/42/09/02/874420902.db2.gz HVIBTIUDQIURKG-KRWDZBQOSA-N 1 1 378.856 3.899 20 5 GHBDMO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1ccccc1 ZINC000770040213 874420907 /nfs/dbraw/zinc/42/09/07/874420907.db2.gz HVIBTIUDQIURKG-KRWDZBQOSA-N 1 1 378.856 3.899 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000026264706 874439969 /nfs/dbraw/zinc/43/99/69/874439969.db2.gz PLDUXPFTGJDTRB-UHFFFAOYSA-N 1 1 387.411 3.736 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770668209 874812770 /nfs/dbraw/zinc/81/27/70/874812770.db2.gz WNXHCDRRGDTQMI-GOSISDBHSA-N 1 1 389.249 3.989 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770668209 874812785 /nfs/dbraw/zinc/81/27/85/874812785.db2.gz WNXHCDRRGDTQMI-GOSISDBHSA-N 1 1 389.249 3.989 20 5 GHBDMO Cc1nn(C)c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1Br ZINC000449503877 874967173 /nfs/dbraw/zinc/96/71/73/874967173.db2.gz UYYAKVOLHRMVSH-AWEZNQCLSA-N 1 1 393.285 3.779 20 5 GHBDMO Cc1nn(C)c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1Br ZINC000449503877 874967177 /nfs/dbraw/zinc/96/71/77/874967177.db2.gz UYYAKVOLHRMVSH-AWEZNQCLSA-N 1 1 393.285 3.779 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(Br)o1 ZINC000030217580 875937293 /nfs/dbraw/zinc/93/72/93/875937293.db2.gz DTAVKVLJZODTJN-UHFFFAOYSA-N 1 1 396.241 3.719 20 5 GHBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)c2)C[C@@H](C)O1 ZINC000609974838 877234837 /nfs/dbraw/zinc/23/48/37/877234837.db2.gz BFRJCQYEJJHYPW-ZIAGYGMSSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000787813219 877632341 /nfs/dbraw/zinc/63/23/41/877632341.db2.gz UJNOJYWBOOSJTH-CJNGLKHVSA-N 1 1 388.855 3.890 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c2c(c1)COCO2 ZINC000477488478 877691691 /nfs/dbraw/zinc/69/16/91/877691691.db2.gz XIBDWYNUTIBINB-KRWDZBQOSA-N 1 1 384.388 3.527 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c2c(c1)COCO2 ZINC000477488478 877691698 /nfs/dbraw/zinc/69/16/98/877691698.db2.gz XIBDWYNUTIBINB-KRWDZBQOSA-N 1 1 384.388 3.527 20 5 GHBDMO COc1cc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)ccc1[N+](=O)[O-] ZINC000492877846 877714666 /nfs/dbraw/zinc/71/46/66/877714666.db2.gz MXBRPYZZQAHDQW-UHFFFAOYSA-N 1 1 382.416 3.664 20 5 GHBDMO COc1cc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)ccc1[N+](=O)[O-] ZINC000492877846 877714679 /nfs/dbraw/zinc/71/46/79/877714679.db2.gz MXBRPYZZQAHDQW-UHFFFAOYSA-N 1 1 382.416 3.664 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CCO)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000451301406 877749084 /nfs/dbraw/zinc/74/90/84/877749084.db2.gz BXVGRWPTJILBGP-AWEZNQCLSA-N 1 1 394.353 3.703 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CCO)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000451301407 877749748 /nfs/dbraw/zinc/74/97/48/877749748.db2.gz BXVGRWPTJILBGP-CQSZACIVSA-N 1 1 394.353 3.703 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851853916 877942718 /nfs/dbraw/zinc/94/27/18/877942718.db2.gz MMNRIKMTGNQLHU-UONOGXRCSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851853916 877942723 /nfs/dbraw/zinc/94/27/23/877942723.db2.gz MMNRIKMTGNQLHU-UONOGXRCSA-N 1 1 381.448 3.859 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCc2ccccc2C1 ZINC000451543776 878110207 /nfs/dbraw/zinc/11/02/07/878110207.db2.gz CSBIHXAXQTUQFT-FQEVSTJZSA-N 1 1 393.487 3.749 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H](O)COc3cccc4[nH]ccc43)C2)cc1 ZINC000451543488 878112616 /nfs/dbraw/zinc/11/26/16/878112616.db2.gz BZSZLPCMYUFSKJ-IEBWSBKVSA-N 1 1 395.459 3.695 20 5 GHBDMO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545203 878117606 /nfs/dbraw/zinc/11/76/06/878117606.db2.gz HAEPNSJHUKFHEF-HOCLYGCPSA-N 1 1 378.432 3.922 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCCS(=O)(=O)c3ccccc3)C2)cc1 ZINC000451548738 878124064 /nfs/dbraw/zinc/12/40/64/878124064.db2.gz OEUIHOLYWSJGSF-GOSISDBHSA-N 1 1 388.489 3.638 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCCS(=O)(=O)c3ccccc3)C2)cc1 ZINC000451548738 878124076 /nfs/dbraw/zinc/12/40/76/878124076.db2.gz OEUIHOLYWSJGSF-GOSISDBHSA-N 1 1 388.489 3.638 20 5 GHBDMO Cc1ccnc(-c2noc(C[N@@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)n2)c1 ZINC000451553623 878137624 /nfs/dbraw/zinc/13/76/24/878137624.db2.gz YEXVQLMAHQJTPG-INIZCTEOSA-N 1 1 379.420 3.728 20 5 GHBDMO Cc1ccnc(-c2noc(C[N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)n2)c1 ZINC000451553623 878137637 /nfs/dbraw/zinc/13/76/37/878137637.db2.gz YEXVQLMAHQJTPG-INIZCTEOSA-N 1 1 379.420 3.728 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(CSC(F)F)o3)C2)nc1 ZINC000093534695 912325038 /nfs/dbraw/zinc/32/50/38/912325038.db2.gz RGMNNWZXXVGUEG-LLVKDONJSA-N 1 1 384.408 3.725 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)nc1 ZINC000093534695 912325061 /nfs/dbraw/zinc/32/50/61/912325061.db2.gz RGMNNWZXXVGUEG-LLVKDONJSA-N 1 1 384.408 3.725 20 5 GHBDMO COc1cc(C[N@@H+]2CCSC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000451647482 878263864 /nfs/dbraw/zinc/26/38/64/878263864.db2.gz ISPFSPLNYULTIE-AWEZNQCLSA-N 1 1 388.436 3.575 20 5 GHBDMO COc1cc(C[N@H+]2CCSC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000451647482 878263879 /nfs/dbraw/zinc/26/38/79/878263879.db2.gz ISPFSPLNYULTIE-AWEZNQCLSA-N 1 1 388.436 3.575 20 5 GHBDMO Cc1ccc(CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCO2)cc1 ZINC000776588652 878292288 /nfs/dbraw/zinc/29/22/88/878292288.db2.gz MYXDQINNPZBCDE-FCHUYYIVSA-N 1 1 384.476 3.660 20 5 GHBDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591620 878298949 /nfs/dbraw/zinc/29/89/49/878298949.db2.gz LGKMAIMZPIRQCL-WOJBJXKFSA-N 1 1 380.448 3.835 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000493114757 878432737 /nfs/dbraw/zinc/43/27/37/878432737.db2.gz UGGWNUWSDBIFAH-LEWJYISDSA-N 1 1 394.475 3.564 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)s1 ZINC000852774580 878591150 /nfs/dbraw/zinc/59/11/50/878591150.db2.gz WMUBQBBITKYAGV-NSHDSACASA-N 1 1 395.868 3.871 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)s1 ZINC000852774580 878591164 /nfs/dbraw/zinc/59/11/64/878591164.db2.gz WMUBQBBITKYAGV-NSHDSACASA-N 1 1 395.868 3.871 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC3(CCC3)[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000451842578 878593582 /nfs/dbraw/zinc/59/35/82/878593582.db2.gz FSHBMGHXQNEBKT-LJQANCHMSA-N 1 1 385.420 3.752 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000853120777 878829371 /nfs/dbraw/zinc/82/93/71/878829371.db2.gz QFWMMWYUEFYWSA-IFMALSPDSA-N 1 1 395.503 3.520 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000853120777 878829377 /nfs/dbraw/zinc/82/93/77/878829377.db2.gz QFWMMWYUEFYWSA-IFMALSPDSA-N 1 1 395.503 3.520 20 5 GHBDMO O=[N+]([O-])c1nn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1Br ZINC000795687413 912393295 /nfs/dbraw/zinc/39/32/95/912393295.db2.gz LESKSBBNKOVIGP-IIAWOOMASA-N 1 1 391.269 3.779 20 5 GHBDMO O=[N+]([O-])c1nn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1Br ZINC000795687413 912393320 /nfs/dbraw/zinc/39/33/20/912393320.db2.gz LESKSBBNKOVIGP-IIAWOOMASA-N 1 1 391.269 3.779 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452175607 879043613 /nfs/dbraw/zinc/04/36/13/879043613.db2.gz UBTAHCFPVSXBKT-AWEZNQCLSA-N 1 1 377.510 3.652 20 5 GHBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853487713 879058198 /nfs/dbraw/zinc/05/81/98/879058198.db2.gz VEEGDCNCGXIDII-HXUWFJFHSA-N 1 1 391.418 3.606 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492226 879060174 /nfs/dbraw/zinc/06/01/74/879060174.db2.gz IIAYAXSKMYCYJA-QGZVFWFLSA-N 1 1 393.447 3.527 20 5 GHBDMO O=[N+]([O-])c1cn(C[NH+]2CCC(COc3ccccc3)CC2)nc1-c1ccccn1 ZINC000853497042 879064045 /nfs/dbraw/zinc/06/40/45/879064045.db2.gz OLIMEYTYZXDYCL-UHFFFAOYSA-N 1 1 393.447 3.602 20 5 GHBDMO C[C@H](NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000452183266 879098450 /nfs/dbraw/zinc/09/84/50/879098450.db2.gz NSPNLCRBHCGRDB-ULQDDVLXSA-N 1 1 397.475 3.695 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789595029 879102345 /nfs/dbraw/zinc/10/23/45/879102345.db2.gz QLJZEKUTQIFALU-RYEVTAHJSA-N 1 1 379.460 3.731 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000531103882 879135280 /nfs/dbraw/zinc/13/52/80/879135280.db2.gz UFDZQUUOKKSHDG-GOSISDBHSA-N 1 1 386.395 3.597 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000538259586 879138720 /nfs/dbraw/zinc/13/87/20/879138720.db2.gz IYSSWEFLNVFRKO-INIZCTEOSA-N 1 1 393.390 3.951 20 5 GHBDMO C[N@@H+](C[C@@H]1CCc2ccccc21)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853609765 879163960 /nfs/dbraw/zinc/16/39/60/879163960.db2.gz MGZJACMEBYACLP-RXVVDRJESA-N 1 1 379.460 3.530 20 5 GHBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000475675519 879273371 /nfs/dbraw/zinc/27/33/71/879273371.db2.gz SNBKWTMKVVWCJO-LJQANCHMSA-N 1 1 389.839 3.738 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461420506 879773689 /nfs/dbraw/zinc/77/36/89/879773689.db2.gz BAGKLZLNXHOEBP-IRXDYDNUSA-N 1 1 399.878 3.842 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1F ZINC000790549824 879806464 /nfs/dbraw/zinc/80/64/64/879806464.db2.gz CKAUKFWBJXPRNQ-UGSOOPFHSA-N 1 1 391.468 3.917 20 5 GHBDMO C[N@@H+](Cc1ccc2nc(NC(=O)CCC(C)(C)[N+](=O)[O-])sc2c1)C1CC1 ZINC000855469797 880536222 /nfs/dbraw/zinc/53/62/22/880536222.db2.gz RZIGIODOFQQCMU-UHFFFAOYSA-N 1 1 376.482 3.665 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c(Cl)c1 ZINC000774640082 912585518 /nfs/dbraw/zinc/58/55/18/912585518.db2.gz PHULSWASKCBSIE-FZKQIMNGSA-N 1 1 389.887 3.504 20 5 GHBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000531880083 880714340 /nfs/dbraw/zinc/71/43/40/880714340.db2.gz RFYKRKWNWXONCX-UTKZUKDTSA-N 1 1 396.491 3.962 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccc3ccccc3c1)CC2 ZINC000532038510 880958453 /nfs/dbraw/zinc/95/84/53/880958453.db2.gz LJYPLRUCZCYOGX-OAQYLSRUSA-N 1 1 378.428 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccc3ccccc3c1)CC2 ZINC000532038510 880958463 /nfs/dbraw/zinc/95/84/63/880958463.db2.gz LJYPLRUCZCYOGX-OAQYLSRUSA-N 1 1 378.428 3.546 20 5 GHBDMO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ncnc2cc3ccccc3cc21 ZINC001170166797 881104830 /nfs/dbraw/zinc/10/48/30/881104830.db2.gz QYIYAKRWBPTONX-UHFFFAOYSA-N 1 1 398.470 3.651 20 5 GHBDMO COCC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1c(C)nn(C)c1C ZINC000453612589 881149902 /nfs/dbraw/zinc/14/99/02/881149902.db2.gz LTIRMUDQOMJHCI-UHFFFAOYSA-N 1 1 398.463 3.854 20 5 GHBDMO COCC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1c(C)nn(C)c1C ZINC000453612589 881149910 /nfs/dbraw/zinc/14/99/10/881149910.db2.gz LTIRMUDQOMJHCI-UHFFFAOYSA-N 1 1 398.463 3.854 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000556967496 881239121 /nfs/dbraw/zinc/23/91/21/881239121.db2.gz JSXZKDOPSIBTQC-SFHVURJKSA-N 1 1 386.448 3.529 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000556967496 881239143 /nfs/dbraw/zinc/23/91/43/881239143.db2.gz JSXZKDOPSIBTQC-SFHVURJKSA-N 1 1 386.448 3.529 20 5 GHBDMO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170296678 881316900 /nfs/dbraw/zinc/31/69/00/881316900.db2.gz HMWATFKTFJGKCH-PKOBYXMFSA-N 1 1 383.492 3.646 20 5 GHBDMO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000544439371 883164031 /nfs/dbraw/zinc/16/40/31/883164031.db2.gz ANVLUIAIWVWJPE-UHFFFAOYSA-N 1 1 382.464 3.692 20 5 GHBDMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000544439371 883164041 /nfs/dbraw/zinc/16/40/41/883164041.db2.gz ANVLUIAIWVWJPE-UHFFFAOYSA-N 1 1 382.464 3.692 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC001170461208 883216846 /nfs/dbraw/zinc/21/68/46/883216846.db2.gz ZIDFDCDSAQAFFY-UHFFFAOYSA-N 1 1 391.418 3.854 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000609495223 883258890 /nfs/dbraw/zinc/25/88/90/883258890.db2.gz VOMAWYQKUISTSZ-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000859188019 883647590 /nfs/dbraw/zinc/64/75/90/883647590.db2.gz YIIJLQPMUSTMMS-MRXNPFEDSA-N 1 1 387.867 3.543 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000139338077 884023989 /nfs/dbraw/zinc/02/39/89/884023989.db2.gz DANRSYYRFDJRRW-CABCVRRESA-N 1 1 379.888 3.975 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000153211824 884051652 /nfs/dbraw/zinc/05/16/52/884051652.db2.gz IHXUURWFRYDTJJ-UHFFFAOYSA-N 1 1 387.823 3.605 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000153211824 884051671 /nfs/dbraw/zinc/05/16/71/884051671.db2.gz IHXUURWFRYDTJJ-UHFFFAOYSA-N 1 1 387.823 3.605 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000805765174 884096129 /nfs/dbraw/zinc/09/61/29/884096129.db2.gz KFLHFHAPOBEWPQ-INIZCTEOSA-N 1 1 393.484 3.873 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615984 884136098 /nfs/dbraw/zinc/13/60/98/884136098.db2.gz GMSFRRFGPAYGMM-PKXJPQMGSA-N 1 1 378.354 3.906 20 5 GHBDMO C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000498363427 884160134 /nfs/dbraw/zinc/16/01/34/884160134.db2.gz KUVPQNYEIDVLRC-KGLIPLIRSA-N 1 1 388.493 3.569 20 5 GHBDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000026466202 884259563 /nfs/dbraw/zinc/25/95/63/884259563.db2.gz ZTOAJNUQBARTBU-RYUDHWBXSA-N 1 1 384.274 3.806 20 5 GHBDMO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000918755472 884293591 /nfs/dbraw/zinc/29/35/91/884293591.db2.gz MOAYIAGCDLCRTI-UHFFFAOYSA-N 1 1 379.819 3.588 20 5 GHBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000494966517 884301471 /nfs/dbraw/zinc/30/14/71/884301471.db2.gz WFMGRZOAIIKBLL-IBGZPJMESA-N 1 1 394.475 3.516 20 5 GHBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C2 ZINC000897876633 884497739 /nfs/dbraw/zinc/49/77/39/884497739.db2.gz PLSFGZPUMSYLDQ-MRXNPFEDSA-N 1 1 390.242 3.599 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)cn1 ZINC000761912088 884955875 /nfs/dbraw/zinc/95/58/75/884955875.db2.gz QIVBSQABEXNZMZ-UHFFFAOYSA-N 1 1 388.343 3.947 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n2)cn1 ZINC000761917304 884973039 /nfs/dbraw/zinc/97/30/39/884973039.db2.gz FPGHGSHJTCBOLY-UHFFFAOYSA-N 1 1 382.767 3.854 20 5 GHBDMO COc1cccc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000498655899 885176193 /nfs/dbraw/zinc/17/61/93/885176193.db2.gz YRUBVMKUKRKEQG-HNNXBMFYSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)c([N+](=O)[O-])cc1O ZINC000532471669 885678822 /nfs/dbraw/zinc/67/88/22/885678822.db2.gz VEYDPEVATUQZOA-CQSZACIVSA-N 1 1 376.384 3.840 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000861673521 885750930 /nfs/dbraw/zinc/75/09/30/885750930.db2.gz CJUUTSAMEIWZPQ-NRFANRHFSA-N 1 1 399.878 3.986 20 5 GHBDMO CCOCCCN1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000495439877 885808475 /nfs/dbraw/zinc/80/84/75/885808475.db2.gz OHEBYJSILKLTFX-QAPCUYQASA-N 1 1 383.920 3.517 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000532576539 886154214 /nfs/dbraw/zinc/15/42/14/886154214.db2.gz BJCYEVSQWLENOT-YJBOKZPZSA-N 1 1 383.448 3.668 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000532576539 886154226 /nfs/dbraw/zinc/15/42/26/886154226.db2.gz BJCYEVSQWLENOT-YJBOKZPZSA-N 1 1 383.448 3.668 20 5 GHBDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000747469305 886158093 /nfs/dbraw/zinc/15/80/93/886158093.db2.gz ZIXXLTYHVHDDRH-QFBILLFUSA-N 1 1 377.448 3.764 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001131287549 886328068 /nfs/dbraw/zinc/32/80/68/886328068.db2.gz KSJRGUOEOUOKIT-INIZCTEOSA-N 1 1 387.867 3.572 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000488019100 887452978 /nfs/dbraw/zinc/45/29/78/887452978.db2.gz WLZCOCAXHFPSMT-HNNXBMFYSA-N 1 1 376.501 3.640 20 5 GHBDMO CC(C)(C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000763015543 887553892 /nfs/dbraw/zinc/55/38/92/887553892.db2.gz GPDXVLVBFJMMGH-HNNXBMFYSA-N 1 1 390.411 3.812 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000809688369 887705858 /nfs/dbraw/zinc/70/58/58/887705858.db2.gz JCMRKTPNLUURNC-UHFFFAOYSA-N 1 1 381.335 3.779 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000809688369 887705867 /nfs/dbraw/zinc/70/58/67/887705867.db2.gz JCMRKTPNLUURNC-UHFFFAOYSA-N 1 1 381.335 3.779 20 5 GHBDMO Cc1ccc([C@@H]2CC[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c(C)c1 ZINC000794660596 887707652 /nfs/dbraw/zinc/70/76/52/887707652.db2.gz GTWNSHJKELJFRT-GOSISDBHSA-N 1 1 377.448 3.917 20 5 GHBDMO CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000809917852 887942848 /nfs/dbraw/zinc/94/28/48/887942848.db2.gz CGGVRYRSESOJAD-HNNXBMFYSA-N 1 1 388.855 3.986 20 5 GHBDMO COc1cc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000810034586 888114252 /nfs/dbraw/zinc/11/42/52/888114252.db2.gz VXAPXVJWURHTRT-QGZVFWFLSA-N 1 1 391.468 3.627 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000810034586 888114258 /nfs/dbraw/zinc/11/42/58/888114258.db2.gz VXAPXVJWURHTRT-QGZVFWFLSA-N 1 1 391.468 3.627 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001132306441 888578358 /nfs/dbraw/zinc/57/83/58/888578358.db2.gz IBUXULKNPOJSKR-MJGOQNOKSA-N 1 1 395.503 3.757 20 5 GHBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000810617755 888683907 /nfs/dbraw/zinc/68/39/07/888683907.db2.gz FXECGOHBGWWDEG-GJZGRUSLSA-N 1 1 386.452 3.582 20 5 GHBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000794891182 888717610 /nfs/dbraw/zinc/71/76/10/888717610.db2.gz CXRCTCTZKPHEAI-HXUWFJFHSA-N 1 1 381.411 3.614 20 5 GHBDMO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000032735338 888748682 /nfs/dbraw/zinc/74/86/82/888748682.db2.gz VEEQTQUJVYHTDE-MSOLQXFVSA-N 1 1 391.515 3.534 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000032771450 888824471 /nfs/dbraw/zinc/82/44/71/888824471.db2.gz NXSYUCFPWRWOSR-MRXNPFEDSA-N 1 1 388.445 3.691 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000032771450 888824482 /nfs/dbraw/zinc/82/44/82/888824482.db2.gz NXSYUCFPWRWOSR-MRXNPFEDSA-N 1 1 388.445 3.691 20 5 GHBDMO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1c(F)cccc1Cl ZINC000532757573 888890280 /nfs/dbraw/zinc/89/02/80/888890280.db2.gz ZHZBJKGRXHNSFT-UHFFFAOYSA-N 1 1 393.802 3.817 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1c(F)cccc1Cl ZINC000532757573 888890286 /nfs/dbraw/zinc/89/02/86/888890286.db2.gz ZHZBJKGRXHNSFT-UHFFFAOYSA-N 1 1 393.802 3.817 20 5 GHBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000810846173 888938819 /nfs/dbraw/zinc/93/88/19/888938819.db2.gz XLUHQZADNMYJJJ-MJGOQNOKSA-N 1 1 396.443 3.957 20 5 GHBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)CC1 ZINC000916454344 889017801 /nfs/dbraw/zinc/01/78/01/889017801.db2.gz FYMRALYKAQWNLW-UHFFFAOYSA-N 1 1 394.431 3.735 20 5 GHBDMO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1C ZINC000532926460 889296330 /nfs/dbraw/zinc/29/63/30/889296330.db2.gz NKSUXMSLEMKRGF-QGZVFWFLSA-N 1 1 397.431 3.716 20 5 GHBDMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1C ZINC000532926460 889296336 /nfs/dbraw/zinc/29/63/36/889296336.db2.gz NKSUXMSLEMKRGF-QGZVFWFLSA-N 1 1 397.431 3.716 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000532958834 889425940 /nfs/dbraw/zinc/42/59/40/889425940.db2.gz ZKUZZVOKIPRYPM-KOHRHEQBSA-N 1 1 389.496 3.982 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000811490324 889640306 /nfs/dbraw/zinc/64/03/06/889640306.db2.gz OYFLEGZMWXEKFV-CYBMUJFWSA-N 1 1 376.359 3.649 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000811490324 889640311 /nfs/dbraw/zinc/64/03/11/889640311.db2.gz OYFLEGZMWXEKFV-CYBMUJFWSA-N 1 1 376.359 3.649 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)c2c(Cl)c1 ZINC000811784417 889951028 /nfs/dbraw/zinc/95/10/28/889951028.db2.gz WQZSUBFYTKMBHV-KRWDZBQOSA-N 1 1 397.866 3.692 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)c2c(Cl)c1 ZINC000811784417 889951037 /nfs/dbraw/zinc/95/10/37/889951037.db2.gz WQZSUBFYTKMBHV-KRWDZBQOSA-N 1 1 397.866 3.692 20 5 GHBDMO O=C(C[N@H+](Cc1ccoc1)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533292339 890208872 /nfs/dbraw/zinc/20/88/72/890208872.db2.gz GNGKFKJDOMDSSH-UHFFFAOYSA-N 1 1 383.448 3.912 20 5 GHBDMO O=C(C[N@@H+](Cc1ccoc1)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533292339 890208889 /nfs/dbraw/zinc/20/88/89/890208889.db2.gz GNGKFKJDOMDSSH-UHFFFAOYSA-N 1 1 383.448 3.912 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000533300258 890243360 /nfs/dbraw/zinc/24/33/60/890243360.db2.gz LSTRZIQGWQDORZ-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000533407160 890470866 /nfs/dbraw/zinc/47/08/66/890470866.db2.gz XVRFXHQZSPRPHP-MJGOQNOKSA-N 1 1 396.491 3.691 20 5 GHBDMO CN(C(=O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000105669129 890500009 /nfs/dbraw/zinc/50/00/09/890500009.db2.gz LHEWCENHGIGZGB-UHFFFAOYSA-N 1 1 397.475 3.608 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 ZINC000533471532 890637640 /nfs/dbraw/zinc/63/76/40/890637640.db2.gz RWCFSSGDQWNNFC-OAHLLOKOSA-N 1 1 396.472 3.683 20 5 GHBDMO COCCOc1ncccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872021323 891120941 /nfs/dbraw/zinc/12/09/41/891120941.db2.gz BKLDXTQAVPMSBJ-CYBMUJFWSA-N 1 1 377.466 3.588 20 5 GHBDMO CC[NH+]1CCN(C[C@H](C)CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001184928516 913542151 /nfs/dbraw/zinc/54/21/51/913542151.db2.gz ZELGIPUHXYLZCJ-GFCCVEGCSA-N 1 1 375.300 3.587 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000813173921 891333920 /nfs/dbraw/zinc/33/39/20/891333920.db2.gz MJYNDQPTXXPSLL-FMKPAKJESA-N 1 1 386.370 3.691 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000813173921 891333934 /nfs/dbraw/zinc/33/39/34/891333934.db2.gz MJYNDQPTXXPSLL-FMKPAKJESA-N 1 1 386.370 3.691 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cccc4c3OCO4)o2)c([N+](=O)[O-])c1 ZINC000237417796 891700265 /nfs/dbraw/zinc/70/02/65/891700265.db2.gz ULOYUGWDFWRNNX-UHFFFAOYSA-N 1 1 382.372 3.882 20 5 GHBDMO C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000497576413 891889298 /nfs/dbraw/zinc/88/92/98/891889298.db2.gz ILQKUNBAGRRYEI-MRXNPFEDSA-N 1 1 379.460 3.533 20 5 GHBDMO C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000497576413 891889310 /nfs/dbraw/zinc/88/93/10/891889310.db2.gz ILQKUNBAGRRYEI-MRXNPFEDSA-N 1 1 379.460 3.533 20 5 GHBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000918247660 893408466 /nfs/dbraw/zinc/40/84/66/893408466.db2.gz CDDXALLJUZHYMF-WDZFZDKYSA-N 1 1 399.878 3.996 20 5 GHBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000918247660 893408474 /nfs/dbraw/zinc/40/84/74/893408474.db2.gz CDDXALLJUZHYMF-WDZFZDKYSA-N 1 1 399.878 3.996 20 5 GHBDMO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877033319 893449378 /nfs/dbraw/zinc/44/93/78/893449378.db2.gz WGRNBRHJIMPWQN-LBPRGKRZSA-N 1 1 383.271 3.684 20 5 GHBDMO O=C(c1ccccc1Cl)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000934421304 893627953 /nfs/dbraw/zinc/62/79/53/893627953.db2.gz NFBNDMHNPZUPQJ-IBGZPJMESA-N 1 1 388.851 3.877 20 5 GHBDMO C[C@H](c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1)C(F)(F)F ZINC000459504220 893649654 /nfs/dbraw/zinc/64/96/54/893649654.db2.gz HQBVQBKCUSYYQE-CQSZACIVSA-N 1 1 394.397 3.978 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822773 893834870 /nfs/dbraw/zinc/83/48/70/893834870.db2.gz ILNRSGCEKRWBON-LRDDRELGSA-N 1 1 398.385 3.537 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cnc(C)o2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459673155 894045118 /nfs/dbraw/zinc/04/51/18/894045118.db2.gz IYALXKNAIHCWLS-UHFFFAOYSA-N 1 1 383.404 3.769 20 5 GHBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459773946 894176067 /nfs/dbraw/zinc/17/60/67/894176067.db2.gz VOOYJTFONPMONU-GFCCVEGCSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@H]1CC2(C[N@H+]1Cc1nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CCOCC2 ZINC000878770508 894593230 /nfs/dbraw/zinc/59/32/30/894593230.db2.gz YRNSEZQTEIUATO-LBPRGKRZSA-N 1 1 392.843 3.689 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccccc1Cl ZINC000816809016 895073031 /nfs/dbraw/zinc/07/30/31/895073031.db2.gz IGVOECUWYUGXPW-HNNXBMFYSA-N 1 1 382.247 3.934 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccccc1Cl ZINC000816809017 895073727 /nfs/dbraw/zinc/07/37/27/895073727.db2.gz IGVOECUWYUGXPW-OAHLLOKOSA-N 1 1 382.247 3.934 20 5 GHBDMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000565726540 895835798 /nfs/dbraw/zinc/83/57/98/895835798.db2.gz ZZPFPRYYFVVZGJ-NQIIRXRSSA-N 1 1 397.500 3.691 20 5 GHBDMO CSc1ccc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000566074945 896092870 /nfs/dbraw/zinc/09/28/70/896092870.db2.gz YRRZVULLUOIPAE-UHFFFAOYSA-N 1 1 386.477 3.550 20 5 GHBDMO C[C@H](NC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000819066073 896383735 /nfs/dbraw/zinc/38/37/35/896383735.db2.gz SUUPAYIFEAIDPE-LAUBAEHRSA-N 1 1 383.492 3.881 20 5 GHBDMO C[N@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC12CCCCC2 ZINC000567246659 897004533 /nfs/dbraw/zinc/00/45/33/897004533.db2.gz QCBSKSYKAVZEQN-UHFFFAOYSA-N 1 1 384.480 3.743 20 5 GHBDMO CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC12CCCCC2 ZINC000567246659 897004544 /nfs/dbraw/zinc/00/45/44/897004544.db2.gz QCBSKSYKAVZEQN-UHFFFAOYSA-N 1 1 384.480 3.743 20 5 GHBDMO CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC12CCCCC2 ZINC000567246659 897004552 /nfs/dbraw/zinc/00/45/52/897004552.db2.gz QCBSKSYKAVZEQN-UHFFFAOYSA-N 1 1 384.480 3.743 20 5 GHBDMO C[C@@H]1C[N@H+](CCCCNc2cccc(Br)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000820675620 897457559 /nfs/dbraw/zinc/45/75/59/897457559.db2.gz JQBSWPKFVSFZRR-BETUJISGSA-N 1 1 386.290 3.659 20 5 GHBDMO COc1cc(C[NH2+]Cc2cc(C)no2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000105455830 898209876 /nfs/dbraw/zinc/20/98/76/898209876.db2.gz PRZKOOXNEXKKJO-UHFFFAOYSA-N 1 1 383.404 3.769 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000043147840 898248869 /nfs/dbraw/zinc/24/88/69/898248869.db2.gz IYWSTAHKAQOKIR-UHFFFAOYSA-N 1 1 382.464 3.951 20 5 GHBDMO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)[NH+]1CCCC1 ZINC000043735253 898866626 /nfs/dbraw/zinc/86/66/26/898866626.db2.gz CWGJNXKTPQVHKT-MRXNPFEDSA-N 1 1 389.477 3.540 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001136811610 899354066 /nfs/dbraw/zinc/35/40/66/899354066.db2.gz KMAUBWVWGMTNDE-HOTGVXAUSA-N 1 1 377.460 3.769 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000332217928 899491409 /nfs/dbraw/zinc/49/14/09/899491409.db2.gz XDDLJBDEVZHKPW-UHFFFAOYSA-N 1 1 383.448 3.907 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000134110550 899587693 /nfs/dbraw/zinc/58/76/93/899587693.db2.gz SVCYLQXSXBGXPO-JKSUJKDBSA-N 1 1 393.484 3.599 20 5 GHBDMO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000156267899 899619270 /nfs/dbraw/zinc/61/92/70/899619270.db2.gz RZHPIHLPAQKQPL-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](O)C[C@H]3c3ccc(F)cc3)o2)c1 ZINC000572383909 900164676 /nfs/dbraw/zinc/16/46/76/900164676.db2.gz SDCIRUSSMRQDNM-MOPGFXCFSA-N 1 1 397.406 3.739 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@](O)(c4ccc(Cl)cc4)C3)nc2c1 ZINC000844376213 900803096 /nfs/dbraw/zinc/80/30/96/900803096.db2.gz SGXGAFUGBOKKLQ-LJQANCHMSA-N 1 1 386.839 3.608 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@](O)(c4ccc(Cl)cc4)C3)nc2c1 ZINC000844376213 900803100 /nfs/dbraw/zinc/80/31/00/900803100.db2.gz SGXGAFUGBOKKLQ-LJQANCHMSA-N 1 1 386.839 3.608 20 5 GHBDMO COc1ccc(C[C@@H]2CCCC[N@H+]2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1 ZINC000844738881 901217502 /nfs/dbraw/zinc/21/75/02/901217502.db2.gz RNNSTIOABNMMHK-KRWDZBQOSA-N 1 1 395.463 3.711 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000886698802 901232404 /nfs/dbraw/zinc/23/24/04/901232404.db2.gz NDUPXXLATTWYED-CQSZACIVSA-N 1 1 399.476 3.864 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000886698802 901232415 /nfs/dbraw/zinc/23/24/15/901232415.db2.gz NDUPXXLATTWYED-CQSZACIVSA-N 1 1 399.476 3.864 20 5 GHBDMO Cn1cc(C[N@H+]2CCC=C(c3ccncc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000576433179 902019211 /nfs/dbraw/zinc/01/92/11/902019211.db2.gz LZRHCGSYDKTMFA-UHFFFAOYSA-N 1 1 375.432 3.680 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)o2)c(Cl)c1 ZINC000577104725 902503510 /nfs/dbraw/zinc/50/35/10/902503510.db2.gz PYNBOSJKKLGHHM-IBGZPJMESA-N 1 1 392.839 3.890 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@]4(CCCOC4)C3)o2)c(Cl)c1 ZINC000577104725 902503518 /nfs/dbraw/zinc/50/35/18/902503518.db2.gz PYNBOSJKKLGHHM-IBGZPJMESA-N 1 1 392.839 3.890 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846111750 902689166 /nfs/dbraw/zinc/68/91/66/902689166.db2.gz VQCCAWARWWBTMC-ZFWWWQNUSA-N 1 1 383.279 3.981 20 5 GHBDMO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000577481338 902811140 /nfs/dbraw/zinc/81/11/40/902811140.db2.gz IVKMTKZAQJCLRO-HXUWFJFHSA-N 1 1 384.480 3.532 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)[NH+]1CCOCC1 ZINC000264431508 903089160 /nfs/dbraw/zinc/08/91/60/903089160.db2.gz KSKPJVNPJKBVNH-CYBMUJFWSA-N 1 1 389.839 3.894 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000132373385 903246652 /nfs/dbraw/zinc/24/66/52/903246652.db2.gz ZQKMEFXBNDYKKV-YLJYHZDGSA-N 1 1 381.476 3.649 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000264619389 903250915 /nfs/dbraw/zinc/25/09/15/903250915.db2.gz HQRDQQHQAHOPNX-GOSISDBHSA-N 1 1 397.479 3.817 20 5 GHBDMO Cn1cc([C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)CC2(C)C)cn1 ZINC000846933835 903314644 /nfs/dbraw/zinc/31/46/44/903314644.db2.gz XQEZHQHGKKRZRM-AWEZNQCLSA-N 1 1 393.285 3.716 20 5 GHBDMO C[C@@](CO)([NH2+]Cc1cnc(CCc2ccccc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000601148596 903392112 /nfs/dbraw/zinc/39/21/12/903392112.db2.gz DRKSGXBZKSUELO-NRFANRHFSA-N 1 1 397.500 3.834 20 5 GHBDMO Cn1ncc(Br)c1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000601292838 903545908 /nfs/dbraw/zinc/54/59/08/903545908.db2.gz UZTUDMOYTRLCRK-CQSZACIVSA-N 1 1 379.258 3.603 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000601303333 903555259 /nfs/dbraw/zinc/55/52/59/903555259.db2.gz FAXRNULACLFJIO-MOPGFXCFSA-N 1 1 384.480 3.747 20 5 GHBDMO COc1cccc(CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000775053716 914823865 /nfs/dbraw/zinc/82/38/65/914823865.db2.gz JSJTXIXDPUWDLP-UHFFFAOYSA-N 1 1 385.420 3.966 20 5 GHBDMO Cc1cccc([C@H](O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC001171561258 904829297 /nfs/dbraw/zinc/82/92/97/904829297.db2.gz NYFUOFXUAJFXAG-KCZVDYSFSA-N 1 1 384.476 3.742 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001172900672 905921447 /nfs/dbraw/zinc/92/14/47/905921447.db2.gz XTPNPUDRMZNOBM-SIKLNZKXSA-N 1 1 379.504 3.954 20 5 GHBDMO CC(=O)N1CCCC[C@]12CCC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172911857 906020082 /nfs/dbraw/zinc/02/00/82/906020082.db2.gz WTQQSZXBBPGFCG-RBBKRZOGSA-N 1 1 385.508 3.709 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC(F)(F)[C@H](F)C3)CC2)c(F)c1 ZINC001173009921 906085085 /nfs/dbraw/zinc/08/50/85/906085085.db2.gz JQZUREVZMZBNLF-CQSZACIVSA-N 1 1 379.329 3.521 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCC(F)(F)[C@H](F)C3)CC2)c(F)c1 ZINC001173009921 906085098 /nfs/dbraw/zinc/08/50/98/906085098.db2.gz JQZUREVZMZBNLF-CQSZACIVSA-N 1 1 379.329 3.521 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@@H](COCC4CC4)C3)CC2)c(F)c1 ZINC001173015951 906093791 /nfs/dbraw/zinc/09/37/91/906093791.db2.gz XMDSECGYOQNFPF-OAHLLOKOSA-N 1 1 395.450 3.590 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1F ZINC001173177787 906254424 /nfs/dbraw/zinc/25/44/24/906254424.db2.gz DHZQHZOPFFBANZ-HOCLYGCPSA-N 1 1 379.476 3.528 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1F ZINC001173177787 906254437 /nfs/dbraw/zinc/25/44/37/906254437.db2.gz DHZQHZOPFFBANZ-HOCLYGCPSA-N 1 1 379.476 3.528 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c1F ZINC001173191491 906272684 /nfs/dbraw/zinc/27/26/84/906272684.db2.gz CNLPCENZEADORT-LSDHHAIUSA-N 1 1 389.427 3.530 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001173235368 906322261 /nfs/dbraw/zinc/32/22/61/906322261.db2.gz WKKDEAYGTUIUSP-WBVHZDCISA-N 1 1 377.485 3.905 20 5 GHBDMO CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173238108 906348019 /nfs/dbraw/zinc/34/80/19/906348019.db2.gz NFRHMEDDTMRGOY-WMZHIEFXSA-N 1 1 397.519 3.749 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180600927 906799487 /nfs/dbraw/zinc/79/94/87/906799487.db2.gz QLRFOFFRUWCHJY-OALUTQOASA-N 1 1 396.447 3.676 20 5 GHBDMO Nc1cc2nc3ccccc3n(C3=CCC[N@@H+](Cc4ccccc4)C3)c-2cc1=O ZINC001174394409 906999661 /nfs/dbraw/zinc/99/96/61/906999661.db2.gz JAHGNBPTYIEKMQ-UHFFFAOYSA-N 1 1 382.467 3.830 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000183113278 907329125 /nfs/dbraw/zinc/32/91/25/907329125.db2.gz NTUQMNMNXLVQEB-WXTAPIANSA-N 1 1 376.478 3.591 20 5 GHBDMO C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713456 907820522 /nfs/dbraw/zinc/82/05/22/907820522.db2.gz BGLFRZKLKONXNL-HLLBOEOZSA-N 1 1 399.495 3.948 20 5 GHBDMO Cc1noc(C[N@H+]2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001177028039 908370185 /nfs/dbraw/zinc/37/01/85/908370185.db2.gz UOTVQQJPDAKALZ-AWEZNQCLSA-N 1 1 382.461 3.503 20 5 GHBDMO Cc1noc(C[N@@H+]2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001177028039 908370197 /nfs/dbraw/zinc/37/01/97/908370197.db2.gz UOTVQQJPDAKALZ-AWEZNQCLSA-N 1 1 382.461 3.503 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]3/C=C\c3ccccc3)n2)c1 ZINC000779886277 909059705 /nfs/dbraw/zinc/05/97/05/909059705.db2.gz BUSUBQSDNSJXGB-YAINUAMHSA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@@H]3/C=C\c3ccccc3)n2)c1 ZINC000779886277 909059719 /nfs/dbraw/zinc/05/97/19/909059719.db2.gz BUSUBQSDNSJXGB-YAINUAMHSA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3c4ccccc4OC[C@H]3CO)o2)c1 ZINC001179768786 909695463 /nfs/dbraw/zinc/69/54/63/909695463.db2.gz WIMOGIWTKKAJPY-QVKFZJNVSA-N 1 1 380.400 3.687 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000246132471 910122287 /nfs/dbraw/zinc/12/22/87/910122287.db2.gz VJHGSHWFWRGUDI-SCLBCKFNSA-N 1 1 391.468 3.917 20 5 GHBDMO CC[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CCCCC1 ZINC000795399499 910207354 /nfs/dbraw/zinc/20/73/54/910207354.db2.gz FCGPNBNUNISPTH-UHFFFAOYSA-N 1 1 396.285 3.925 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000246357227 910251734 /nfs/dbraw/zinc/25/17/34/910251734.db2.gz KIVZNYDZZTXDIB-LSDHHAIUSA-N 1 1 379.888 3.975 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269529231 910296164 /nfs/dbraw/zinc/29/61/64/910296164.db2.gz RSZHSVIPDFJFGS-DOTOQJQBSA-N 1 1 399.495 3.566 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269529231 910296171 /nfs/dbraw/zinc/29/61/71/910296171.db2.gz RSZHSVIPDFJFGS-DOTOQJQBSA-N 1 1 399.495 3.566 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269529231 910296175 /nfs/dbraw/zinc/29/61/75/910296175.db2.gz RSZHSVIPDFJFGS-DOTOQJQBSA-N 1 1 399.495 3.566 20 5 GHBDMO CCC[N@H+]1CC[C@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000774518545 911889156 /nfs/dbraw/zinc/88/91/56/911889156.db2.gz UWMKPXMBZGHRAE-SNVBAGLBSA-N 1 1 376.335 3.666 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)o2)c(Cl)c1 ZINC000291319981 915098352 /nfs/dbraw/zinc/09/83/52/915098352.db2.gz SOCXRQPINVCYSM-LLVKDONJSA-N 1 1 386.782 3.958 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000802009735 921749203 /nfs/dbraw/zinc/74/92/03/921749203.db2.gz SGSOAYVHZSZRAA-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000802009735 921749212 /nfs/dbraw/zinc/74/92/12/921749212.db2.gz SGSOAYVHZSZRAA-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO CCOc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)ccc1[N+](=O)[O-] ZINC001187360756 915193570 /nfs/dbraw/zinc/19/35/70/915193570.db2.gz AMAVNZVCVVGSLA-LJQANCHMSA-N 1 1 385.464 3.615 20 5 GHBDMO CCOc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)ccc1[N+](=O)[O-] ZINC001187360756 915193580 /nfs/dbraw/zinc/19/35/80/915193580.db2.gz AMAVNZVCVVGSLA-LJQANCHMSA-N 1 1 385.464 3.615 20 5 GHBDMO Cc1cc(N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)c(F)cc1[N+](=O)[O-] ZINC001187429932 915285797 /nfs/dbraw/zinc/28/57/97/915285797.db2.gz GLJKYLKWYMJWOG-VGOFRKELSA-N 1 1 399.466 3.912 20 5 GHBDMO O=C1[C@H]([NH+]2CCC(c3ccccc3F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001191100068 917755032 /nfs/dbraw/zinc/75/50/32/917755032.db2.gz RRXIOKAOMROLKA-HXUWFJFHSA-N 1 1 383.423 3.719 20 5 GHBDMO COC(=O)Nc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000796492253 917780633 /nfs/dbraw/zinc/78/06/33/917780633.db2.gz YSAQSPDPXPKSSM-UHFFFAOYSA-N 1 1 381.335 3.664 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000298762450 920896697 /nfs/dbraw/zinc/89/66/97/920896697.db2.gz DDODHXHYMZYCHO-MRXNPFEDSA-N 1 1 393.447 3.918 20 5 GHBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000801525469 921096444 /nfs/dbraw/zinc/09/64/44/921096444.db2.gz KZLZSVFSVYAUOK-HOCLYGCPSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000801525469 921096456 /nfs/dbraw/zinc/09/64/56/921096456.db2.gz KZLZSVFSVYAUOK-HOCLYGCPSA-N 1 1 381.448 3.859 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000367606964 922225782 /nfs/dbraw/zinc/22/57/82/922225782.db2.gz LRZAOFZNURERIZ-LJQANCHMSA-N 1 1 377.448 3.524 20 5 GHBDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000748316203 923569143 /nfs/dbraw/zinc/56/91/43/923569143.db2.gz ACMSZEGCXGQYJH-QGZVFWFLSA-N 1 1 377.485 3.512 20 5 GHBDMO Cc1c(C(=O)NCCC[N@H+](C)C2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748705810 923789684 /nfs/dbraw/zinc/78/96/84/923789684.db2.gz AUVZAEJKCQHRBG-UHFFFAOYSA-N 1 1 392.456 3.504 20 5 GHBDMO COc1ccc(NC(=O)C[NH+]2CCC(CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000011155022 924625324 /nfs/dbraw/zinc/62/53/24/924625324.db2.gz YLOBEDVKDQOUDA-UHFFFAOYSA-N 1 1 397.475 3.887 20 5 GHBDMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1 ZINC000749937247 927359393 /nfs/dbraw/zinc/35/93/93/927359393.db2.gz LBLDDSJZHQNBLY-IBGZPJMESA-N 1 1 381.436 3.841 20 5 GHBDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1 ZINC000749937247 927359404 /nfs/dbraw/zinc/35/94/04/927359404.db2.gz LBLDDSJZHQNBLY-IBGZPJMESA-N 1 1 381.436 3.841 20 5 GHBDMO Cc1nn(C[N@@H+](C)CCCOc2ccc(Cl)cc2)c2ncc([N+](=O)[O-])cc12 ZINC000749945014 927362245 /nfs/dbraw/zinc/36/22/45/927362245.db2.gz NTTLJZZFYAFZKI-UHFFFAOYSA-N 1 1 389.843 3.660 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750055966 927409439 /nfs/dbraw/zinc/40/94/39/927409439.db2.gz WRUUSHZIGMWOEO-OAQYLSRUSA-N 1 1 399.422 3.987 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000374686671 927412602 /nfs/dbraw/zinc/41/26/02/927412602.db2.gz JWZRFSWIHFNPBU-SJLPKXTDSA-N 1 1 397.475 3.634 20 5 GHBDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000374806698 927542927 /nfs/dbraw/zinc/54/29/27/927542927.db2.gz NBFNXVYWEMWGTF-QGZVFWFLSA-N 1 1 397.479 3.826 20 5 GHBDMO C[C@H]1C[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000751034452 927993057 /nfs/dbraw/zinc/99/30/57/927993057.db2.gz AQTSGTXSURJLLK-MAUKXSAKSA-N 1 1 384.505 3.934 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(O)(CC)CC2)cc1OC ZINC000543841976 928489308 /nfs/dbraw/zinc/48/93/08/928489308.db2.gz VRSIIQPLBCHWHZ-OAHLLOKOSA-N 1 1 380.485 3.765 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1csc(Br)c1 ZINC000467199140 928815976 /nfs/dbraw/zinc/81/59/76/928815976.db2.gz XJFOIRMPAGRBNQ-UHFFFAOYSA-N 1 1 398.282 3.879 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000544119129 928828759 /nfs/dbraw/zinc/82/87/59/928828759.db2.gz SALBQZXARIEXAP-LPHOPBHVSA-N 1 1 388.439 3.743 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000544188150 928909636 /nfs/dbraw/zinc/90/96/36/928909636.db2.gz RFPMJBZETNCWIO-WBVHZDCISA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000544188150 928909642 /nfs/dbraw/zinc/90/96/42/928909642.db2.gz RFPMJBZETNCWIO-WBVHZDCISA-N 1 1 383.448 3.728 20 5 GHBDMO CCc1ccc([C@@H](NC[C@H]2CCC[N@H+]2CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359192 929088827 /nfs/dbraw/zinc/08/88/27/929088827.db2.gz VZZKIJDJLVEMTI-NQIIRXRSSA-N 1 1 387.480 3.540 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]C[C@H]2CCCN2CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359192 929088836 /nfs/dbraw/zinc/08/88/36/929088836.db2.gz VZZKIJDJLVEMTI-NQIIRXRSSA-N 1 1 387.480 3.540 20 5 GHBDMO O=C(CC[N@H+]1CCSC2(CCCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000753917624 929590773 /nfs/dbraw/zinc/59/07/73/929590773.db2.gz WUXLISAQVIGZBW-UHFFFAOYSA-N 1 1 381.473 3.814 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107691 929645561 /nfs/dbraw/zinc/64/55/61/929645561.db2.gz VDUDQMZHPOEAEK-PBHICJAKSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)c3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000757902037 929848334 /nfs/dbraw/zinc/84/83/34/929848334.db2.gz NGBVUPJIBYROTA-OXJNMPFZSA-N 1 1 384.432 3.843 20 5 GHBDMO C[N@H+]1CCCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000758336102 930013487 /nfs/dbraw/zinc/01/34/87/930013487.db2.gz BNRSUUNAQSZKSN-UHFFFAOYSA-N 1 1 387.415 3.520 20 5 GHBDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000470000123 930306986 /nfs/dbraw/zinc/30/69/86/930306986.db2.gz PIBUNDVDZKBKIY-AWEZNQCLSA-N 1 1 387.358 3.556 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000780766481 930594053 /nfs/dbraw/zinc/59/40/53/930594053.db2.gz HDOZMJDWNPEHDY-VQTJNVASSA-N 1 1 392.459 3.521 20 5 GHBDMO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780768903 930594546 /nfs/dbraw/zinc/59/45/46/930594546.db2.gz VQLFVYNSOABWJB-YSGRDPCXSA-N 1 1 380.448 3.520 20 5 GHBDMO CC[NH+]1CCN(c2ccc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)cc2F)CC1 ZINC000547074886 930670399 /nfs/dbraw/zinc/67/03/99/930670399.db2.gz IPOBRNBWILCUAX-UHFFFAOYSA-N 1 1 397.410 3.593 20 5 GHBDMO O=C(OC[C@@H]1CCC[N@@H+]1Cc1ccco1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781827582 930994865 /nfs/dbraw/zinc/99/48/65/930994865.db2.gz XCCLZLFLIYPBAU-ZDUSSCGKSA-N 1 1 396.346 3.611 20 5 GHBDMO O=C(OC[C@@H]1CCC[N@H+]1Cc1ccco1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781827582 930994869 /nfs/dbraw/zinc/99/48/69/930994869.db2.gz XCCLZLFLIYPBAU-ZDUSSCGKSA-N 1 1 396.346 3.611 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(OC(C)=O)CC2)cc1OC ZINC000782052018 931074493 /nfs/dbraw/zinc/07/44/93/931074493.db2.gz OWDLEWPJHXEUKJ-CQSZACIVSA-N 1 1 394.468 3.556 20 5 GHBDMO Cc1ccc([C@@H]2CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)c(C)c1 ZINC000471016842 931097815 /nfs/dbraw/zinc/09/78/15/931097815.db2.gz FCVRNOSDQMGOJO-QGZVFWFLSA-N 1 1 395.459 3.999 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000471039636 931111577 /nfs/dbraw/zinc/11/15/77/931111577.db2.gz PXERDPYYLCTJDZ-IBGZPJMESA-N 1 1 397.475 3.604 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000782499121 931243589 /nfs/dbraw/zinc/24/35/89/931243589.db2.gz LNLDBRPUFXKXMR-KYNGSXCRSA-N 1 1 393.459 3.588 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000557559241 931541981 /nfs/dbraw/zinc/54/19/81/931541981.db2.gz SBMPTKRZLIXGBM-HNNXBMFYSA-N 1 1 383.477 3.576 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000557630266 931583875 /nfs/dbraw/zinc/58/38/75/931583875.db2.gz HZXHQJQAWKAYJE-HNNXBMFYSA-N 1 1 383.477 3.558 20 5 GHBDMO C/C(=C\C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000783929376 931720550 /nfs/dbraw/zinc/72/05/50/931720550.db2.gz UVBIPHOOEPWZTP-SDNWHVSQSA-N 1 1 394.406 3.948 20 5 GHBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000784637911 931965346 /nfs/dbraw/zinc/96/53/46/931965346.db2.gz IZPQBMQHIMHSLF-UHFFFAOYSA-N 1 1 389.883 3.989 20 5 GHBDMO CCc1ccc(C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)cc1[N+](=O)[O-] ZINC000784732091 931991361 /nfs/dbraw/zinc/99/13/61/931991361.db2.gz ISPANOJPPHAFBA-UHFFFAOYSA-N 1 1 397.475 3.539 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000797518334 932318155 /nfs/dbraw/zinc/31/81/55/932318155.db2.gz BRTVTUHAEYVLKY-KRWDZBQOSA-N 1 1 391.468 3.577 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000797518334 932318160 /nfs/dbraw/zinc/31/81/60/932318160.db2.gz BRTVTUHAEYVLKY-KRWDZBQOSA-N 1 1 391.468 3.577 20 5 GHBDMO COc1ccccc1C1(F)CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000797823690 932419141 /nfs/dbraw/zinc/41/91/41/932419141.db2.gz IAIBOLWXJRYIAZ-UHFFFAOYSA-N 1 1 384.411 3.871 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798482104 932664186 /nfs/dbraw/zinc/66/41/86/932664186.db2.gz IEGSJZHIPVAHHA-JOCHJYFZSA-N 1 1 396.491 3.648 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498210 932672928 /nfs/dbraw/zinc/67/29/28/932672928.db2.gz NFASECROXYDODU-QFIPXVFZSA-N 1 1 383.492 3.995 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CN(CCCC[N@@H+]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001116409922 933542773 /nfs/dbraw/zinc/54/27/73/933542773.db2.gz KFFWGOWETYLGHR-UHFFFAOYSA-N 1 1 382.420 3.615 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CN(CCCC[N@H+]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001116409922 933542780 /nfs/dbraw/zinc/54/27/80/933542780.db2.gz KFFWGOWETYLGHR-UHFFFAOYSA-N 1 1 382.420 3.615 20 5 GHBDMO O=C(CC[NH+]1CC(Cc2c(F)cccc2Cl)C1)Nc1ccccc1[N+](=O)[O-] ZINC001116927957 933832513 /nfs/dbraw/zinc/83/25/13/933832513.db2.gz CPHKUAFNHVKRRJ-UHFFFAOYSA-N 1 1 391.830 3.890 20 5 GHBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000561282566 934018694 /nfs/dbraw/zinc/01/86/94/934018694.db2.gz WILOEFYCLBPMQI-OAQYLSRUSA-N 1 1 399.878 3.986 20 5 GHBDMO CN1CCN(c2ccccc2C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001118026273 934080250 /nfs/dbraw/zinc/08/02/50/934080250.db2.gz DJRBPBWCLWKKMO-JOCHJYFZSA-N 1 1 394.519 3.904 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(Br)c1 ZINC001118569570 934198371 /nfs/dbraw/zinc/19/83/71/934198371.db2.gz YOIGPRHOABYWGP-CALCHBBNSA-N 1 1 381.270 3.750 20 5 GHBDMO C[C@@H](C[NH+](C)C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000561757217 934425589 /nfs/dbraw/zinc/42/55/89/934425589.db2.gz BFTNKZUKKSYZGM-NSHDSACASA-N 1 1 382.258 3.657 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC001137589739 935606396 /nfs/dbraw/zinc/60/63/96/935606396.db2.gz SEGKTGPUUFDIGG-SJLPKXTDSA-N 1 1 399.466 3.693 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1F ZINC000829477497 935815218 /nfs/dbraw/zinc/81/52/18/935815218.db2.gz OJJIYWPKVNULFG-CQSZACIVSA-N 1 1 391.418 3.822 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001625834592 1014217682 /nfs/dbraw/zinc/21/76/82/1014217682.db2.gz NSPNLCRBHCGRDB-YESZJQIVSA-N 1 1 397.475 3.695 20 5 GHBDMO CCc1ccc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487311373 1014718313 /nfs/dbraw/zinc/71/83/13/1014718313.db2.gz CWXGXWOWRXYNJD-JXFKEZNVSA-N 1 1 381.476 3.798 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2c(F)cc([N+](=O)[O-])cc2F)O1 ZINC001226749824 1032111733 /nfs/dbraw/zinc/11/17/33/1032111733.db2.gz YUBAUUUPQXJAQL-MRXNPFEDSA-N 1 1 392.402 3.931 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2c(F)cc([N+](=O)[O-])cc2F)O1 ZINC001226749824 1032111722 /nfs/dbraw/zinc/11/17/22/1032111722.db2.gz YUBAUUUPQXJAQL-MRXNPFEDSA-N 1 1 392.402 3.931 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Nc2nc(C)cs2)CC1 ZINC000547443232 1016923814 /nfs/dbraw/zinc/92/38/14/1016923814.db2.gz DXTIOZWZEDWPMI-UHFFFAOYSA-N 1 1 376.482 3.835 20 5 GHBDMO Cc1nc(Cl)nc(O[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001227333987 1032378647 /nfs/dbraw/zinc/37/86/47/1032378647.db2.gz AQAPBOYVCGCRDS-WFASDCNBSA-N 1 1 376.844 3.636 20 5 GHBDMO Cc1ccc(N2CCC[C@H](Oc3ncnc4cc(Cl)c([N+](=O)[O-])cc43)C2)[nH+]c1 ZINC001227366933 1032391183 /nfs/dbraw/zinc/39/11/83/1032391183.db2.gz QMXOATSQFFKDPI-ZDUSSCGKSA-N 1 1 399.838 3.943 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000560531408 1017654838 /nfs/dbraw/zinc/65/48/38/1017654838.db2.gz YCWBWWFKIMSQRT-VQIMIIECSA-N 1 1 385.512 3.518 20 5 GHBDMO Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000778081467 1018215896 /nfs/dbraw/zinc/21/58/96/1018215896.db2.gz LKKZUZXPVXOPOG-UHFFFAOYSA-N 1 1 396.216 3.533 20 5 GHBDMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000932636394 1018547258 /nfs/dbraw/zinc/54/72/58/1018547258.db2.gz VWKMEWKQEMNZET-OAHLLOKOSA-N 1 1 387.411 3.593 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(=S)cc4[nH]c5ccccc5nc3-4)C[C@H]21 ZINC001155996794 1032829400 /nfs/dbraw/zinc/82/94/00/1032829400.db2.gz UNCCIGIXKINOKW-BFUOFWGJSA-N 1 1 378.501 3.563 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+](C)C[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000577327143 1020169516 /nfs/dbraw/zinc/16/95/16/1020169516.db2.gz WPSRUPOAEPKSDS-KRWDZBQOSA-N 1 1 383.370 3.718 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000577327143 1020169526 /nfs/dbraw/zinc/16/95/26/1020169526.db2.gz WPSRUPOAEPKSDS-KRWDZBQOSA-N 1 1 383.370 3.718 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)c2ncc(F)cc2[N+](=O)[O-])cc1 ZINC001156293833 1032962933 /nfs/dbraw/zinc/96/29/33/1032962933.db2.gz IFONVSKDBZNOKR-QGZVFWFLSA-N 1 1 388.443 3.628 20 5 GHBDMO COc1cc([C@H](C)[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903072941 1021573137 /nfs/dbraw/zinc/57/31/37/1021573137.db2.gz MOQNNJNYOBZLJU-MGPUTAFESA-N 1 1 383.448 3.618 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000755047819 1023043516 /nfs/dbraw/zinc/04/35/16/1023043516.db2.gz KDNIFCFQIXHAPZ-GDBMZVCRSA-N 1 1 393.484 3.729 20 5 GHBDMO CCCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ncsc2C1 ZINC000830817364 1024165370 /nfs/dbraw/zinc/16/53/70/1024165370.db2.gz XSEPBWLVCQILIF-CRAIPNDOSA-N 1 1 375.494 3.744 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000830852082 1024191893 /nfs/dbraw/zinc/19/18/93/1024191893.db2.gz QERXHMPBJJILCP-OAHLLOKOSA-N 1 1 399.325 3.735 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001205007086 1033203873 /nfs/dbraw/zinc/20/38/73/1033203873.db2.gz FFACCJPPZNTFQM-CVEARBPZSA-N 1 1 377.485 3.947 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1F ZINC000831936282 1025038677 /nfs/dbraw/zinc/03/86/77/1025038677.db2.gz KGIVQCNCPAANSY-QWHCGFSZSA-N 1 1 381.423 3.564 20 5 GHBDMO CCc1cc(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162258406 1025692647 /nfs/dbraw/zinc/69/26/47/1025692647.db2.gz LGGAICFXJQSYEX-CVEARBPZSA-N 1 1 383.496 3.568 20 5 GHBDMO COC(=O)/C=C\c1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001162545848 1025788429 /nfs/dbraw/zinc/78/84/29/1025788429.db2.gz WBJDITSLLHURNF-XASXRRJKSA-N 1 1 395.459 3.858 20 5 GHBDMO CCc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162631795 1025840329 /nfs/dbraw/zinc/84/03/29/1025840329.db2.gz SVDYLBXMYDUELA-GOSISDBHSA-N 1 1 383.496 3.925 20 5 GHBDMO Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])sc1C ZINC000839522627 1026006715 /nfs/dbraw/zinc/00/67/15/1026006715.db2.gz YKSRPXBTBHMIRA-UHFFFAOYSA-N 1 1 382.873 3.785 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1Br ZINC000839562102 1026060627 /nfs/dbraw/zinc/06/06/27/1026060627.db2.gz ZLGFWVFDYOQRQI-GOSISDBHSA-N 1 1 389.249 3.989 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1Br ZINC000839562102 1026060641 /nfs/dbraw/zinc/06/06/41/1026060641.db2.gz ZLGFWVFDYOQRQI-GOSISDBHSA-N 1 1 389.249 3.989 20 5 GHBDMO CCc1cc(NCC[N@H+]2CCCC(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163165301 1026072742 /nfs/dbraw/zinc/07/27/42/1026072742.db2.gz ASBBPBUJHUESGA-UHFFFAOYSA-N 1 1 383.496 3.570 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839589840 1026088272 /nfs/dbraw/zinc/08/82/72/1026088272.db2.gz OVYBKMCEKZBRCB-LESCRADOSA-N 1 1 395.887 3.592 20 5 GHBDMO C[N@H+]1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC001163669441 1026274310 /nfs/dbraw/zinc/27/43/10/1026274310.db2.gz QQTFHYCIJHSSLP-KRWDZBQOSA-N 1 1 383.839 3.685 20 5 GHBDMO C[N@H+]1CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@H](c2ccccc2)C1 ZINC001163674818 1026278394 /nfs/dbraw/zinc/27/83/94/1026278394.db2.gz SEPWYUCTKSSUEZ-FQEVSTJZSA-N 1 1 375.432 3.545 20 5 GHBDMO Cc1cccc(C[N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3Br)C2)c1 ZINC001163831481 1026331458 /nfs/dbraw/zinc/33/14/58/1026331458.db2.gz QUPUHUCDYSFCTB-CQSZACIVSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1cccc(C[N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3Br)C2)c1 ZINC001163831481 1026331464 /nfs/dbraw/zinc/33/14/64/1026331464.db2.gz QUPUHUCDYSFCTB-CQSZACIVSA-N 1 1 391.269 3.747 20 5 GHBDMO CC(=O)Nc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1[N+](=O)[O-] ZINC001164491791 1026529616 /nfs/dbraw/zinc/52/96/16/1026529616.db2.gz GIQUPAHLUAAKKN-DFQSSKMNSA-N 1 1 394.475 3.876 20 5 GHBDMO COC(=O)c1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc([N+](=O)[O-])c1 ZINC001164498799 1026534660 /nfs/dbraw/zinc/53/46/60/1026534660.db2.gz HKGVCZMSLPDTKU-ZLGUVYLKSA-N 1 1 395.459 3.704 20 5 GHBDMO C[N@@H+]1C[C@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001165149906 1026635478 /nfs/dbraw/zinc/63/54/78/1026635478.db2.gz PIDSGKOQFJHFBO-TXEJJXNPSA-N 1 1 392.818 3.572 20 5 GHBDMO C[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165202791 1026664496 /nfs/dbraw/zinc/66/44/96/1026664496.db2.gz OXKCXMRMGOBRCT-CVEARBPZSA-N 1 1 377.448 3.637 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc2ccc(NCc3ccc(C[NH+]4CCOCC4)cc3)nc21 ZINC001165368676 1026713779 /nfs/dbraw/zinc/71/37/79/1026713779.db2.gz ZGVMEKOVQCUAEP-UHFFFAOYSA-N 1 1 396.422 3.726 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC001141775929 1027216470 /nfs/dbraw/zinc/21/64/70/1027216470.db2.gz XHUQPKKEJCBCFE-QFBILLFUSA-N 1 1 397.475 3.775 20 5 GHBDMO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001210577632 1027563275 /nfs/dbraw/zinc/56/32/75/1027563275.db2.gz WWXVZEHAEIFQCH-SFHVURJKSA-N 1 1 382.464 3.589 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000841024410 1028049959 /nfs/dbraw/zinc/04/99/59/1028049959.db2.gz STQYTYHKNZBRAB-UFGBVDADSA-N 1 1 391.471 3.841 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001142177077 1028304811 /nfs/dbraw/zinc/30/48/11/1028304811.db2.gz YPLKWGUNLDELGS-CYBMUJFWSA-N 1 1 391.830 3.734 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001142177077 1028304830 /nfs/dbraw/zinc/30/48/30/1028304830.db2.gz YPLKWGUNLDELGS-CYBMUJFWSA-N 1 1 391.830 3.734 20 5 GHBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@H]2C1 ZINC001215270392 1029123465 /nfs/dbraw/zinc/12/34/65/1029123465.db2.gz UBROAXRWNIGPFB-GKCIPKSASA-N 1 1 396.447 3.849 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])c(-c2nc(-c3ccc4nccnc4c3)no2)c1 ZINC001216552596 1029683320 /nfs/dbraw/zinc/68/33/20/1029683320.db2.gz DVNWRPCJMKGTNJ-UHFFFAOYSA-N 1 1 399.370 3.749 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])c(-c2nc(-c3ccc(N(C)C)cc3)no2)c1 ZINC001216553278 1029684050 /nfs/dbraw/zinc/68/40/50/1029684050.db2.gz XEJZABXHYGSNRU-UHFFFAOYSA-N 1 1 390.403 3.872 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126273 1029817122 /nfs/dbraw/zinc/81/71/22/1029817122.db2.gz HLQIPQPQHMQLTE-ZIAGYGMSSA-N 1 1 382.302 3.569 20 5 GHBDMO Cc1ccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c([N+](=O)[O-])c1C ZINC001217105598 1030169910 /nfs/dbraw/zinc/16/99/10/1030169910.db2.gz XQAGLTARRQSEHU-UHFFFAOYSA-N 1 1 394.431 3.761 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@@H]1CC[NH2+]C1 ZINC001218036356 1030735626 /nfs/dbraw/zinc/73/56/26/1030735626.db2.gz MCCCDXNFCMBXNS-CQSZACIVSA-N 1 1 381.428 3.607 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@H]45)ccc3c21 ZINC001218471821 1030952104 /nfs/dbraw/zinc/95/21/04/1030952104.db2.gz ILUQEQLJGVYSLS-ZTFRIQLXSA-N 1 1 377.396 3.775 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H]1CNCC(F)(F)C1 ZINC001219207685 1031304609 /nfs/dbraw/zinc/30/46/09/1031304609.db2.gz LPHNYYBWVOGMGL-MRXNPFEDSA-N 1 1 398.457 3.946 20 5 GHBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001153289800 1031523361 /nfs/dbraw/zinc/52/33/61/1031523361.db2.gz HTRGDZWBCNWNFX-IBGZPJMESA-N 1 1 387.867 3.572 20 5 GHBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001153289800 1031523380 /nfs/dbraw/zinc/52/33/80/1031523380.db2.gz HTRGDZWBCNWNFX-IBGZPJMESA-N 1 1 387.867 3.572 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(F)cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001225779443 1031599590 /nfs/dbraw/zinc/59/95/90/1031599590.db2.gz OJWQJBMGDHHDNU-OAHLLOKOSA-N 1 1 378.375 3.543 20 5 GHBDMO Cc1cc[nH+]c(N2CCC(Oc3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 ZINC001225893496 1031679584 /nfs/dbraw/zinc/67/95/84/1031679584.db2.gz SMLHBHYPLUGIIQ-UHFFFAOYSA-N 1 1 382.342 3.760 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001225895838 1031683233 /nfs/dbraw/zinc/68/32/33/1031683233.db2.gz YMWMZXYWWINSQF-AWEZNQCLSA-N 1 1 395.774 3.949 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001225895838 1031683246 /nfs/dbraw/zinc/68/32/46/1031683246.db2.gz YMWMZXYWWINSQF-AWEZNQCLSA-N 1 1 395.774 3.949 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226435810 1031958879 /nfs/dbraw/zinc/95/88/79/1031958879.db2.gz UYFYRKABLGCYAN-MGPUTAFESA-N 1 1 378.432 3.827 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(O[C@H]3CC[N@@H+](Cc4ccccc4Cl)C3)c2c1 ZINC001226441726 1031961361 /nfs/dbraw/zinc/96/13/61/1031961361.db2.gz UGZQJYASGKFANB-HNNXBMFYSA-N 1 1 384.823 3.845 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001206034503 1033696463 /nfs/dbraw/zinc/69/64/63/1033696463.db2.gz NNPNKQIIVDKDKD-CRAIPNDOSA-N 1 1 382.464 3.942 20 5 GHBDMO COc1c(O)cc(O[C@@H](C)C[N+](C)(C)C)c2c(=O)cc(-c3ccccc3)oc12 ZINC001229980273 1033829419 /nfs/dbraw/zinc/82/94/19/1033829419.db2.gz PVHIYCSUAHQRPX-AWEZNQCLSA-O 1 1 384.452 3.648 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001230251370 1033962552 /nfs/dbraw/zinc/96/25/52/1033962552.db2.gz RXXJBAHXGPSXGF-KRWDZBQOSA-N 1 1 389.839 3.860 20 5 GHBDMO COC(=O)[C@@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)c1ccccc1Cl ZINC001160049012 1034844049 /nfs/dbraw/zinc/84/40/49/1034844049.db2.gz LWMKUEZDRVGPKD-IJDCCNJMSA-N 1 1 390.827 3.502 20 5 GHBDMO O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)CCN12 ZINC001232221408 1035169070 /nfs/dbraw/zinc/16/90/70/1035169070.db2.gz YEVLDAMGKOLLAE-NRFANRHFSA-N 1 1 380.451 3.796 20 5 GHBDMO O=C1c2ccccc2[C@@H]2C[N@H+](Cc3ccc4ccc5cccnc5c4n3)CCN12 ZINC001232221408 1035169074 /nfs/dbraw/zinc/16/90/74/1035169074.db2.gz YEVLDAMGKOLLAE-NRFANRHFSA-N 1 1 380.451 3.796 20 5 GHBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC001161885615 1035321324 /nfs/dbraw/zinc/32/13/24/1035321324.db2.gz UNUKAYJVINCGOL-AWEZNQCLSA-N 1 1 396.825 3.947 20 5 GHBDMO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001161887752 1035322288 /nfs/dbraw/zinc/32/22/88/1035322288.db2.gz LGCXUKYKJFTEEF-ZDUSSCGKSA-N 1 1 398.221 3.827 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001461971343 1069922781 /nfs/dbraw/zinc/92/27/81/1069922781.db2.gz SJEMBBOFQZFESZ-MRXNPFEDSA-N 1 1 377.485 3.948 20 5 GHBDMO CCN(CC)c1ccc(-c2noc([C@@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001248209893 1035641523 /nfs/dbraw/zinc/64/15/23/1035641523.db2.gz CIOJRTYNHCIWNO-SFHVURJKSA-N 1 1 381.436 3.734 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001248210581 1035642908 /nfs/dbraw/zinc/64/29/08/1035642908.db2.gz SZCQZQIGGGBJIT-LBPRGKRZSA-N 1 1 380.738 3.819 20 5 GHBDMO CSc1cc(F)c(-c2noc([C@@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC001248211749 1035644280 /nfs/dbraw/zinc/64/42/80/1035644280.db2.gz IDZBDGIBXRGGIE-AWEZNQCLSA-N 1 1 392.387 3.887 20 5 GHBDMO COc1c(O)ccc(C[N@H+](C)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC001462014833 1069946642 /nfs/dbraw/zinc/94/66/42/1069946642.db2.gz WREDWRQVJIABBT-UHFFFAOYSA-N 1 1 381.226 3.704 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](C)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC001462014833 1069946645 /nfs/dbraw/zinc/94/66/45/1069946645.db2.gz WREDWRQVJIABBT-UHFFFAOYSA-N 1 1 381.226 3.704 20 5 GHBDMO COc1ccc(CN2CC[NH+](Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1F ZINC001462030518 1069955877 /nfs/dbraw/zinc/95/58/77/1069955877.db2.gz CIIRJPQAGXWUCU-UHFFFAOYSA-N 1 1 387.455 3.677 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[nH]nc2-c1nc2cccc(F)c2n1CC1CC[NH2+]CC1 ZINC001247037871 1037861222 /nfs/dbraw/zinc/86/12/22/1037861222.db2.gz SENYIJCZRGSGLV-UHFFFAOYSA-N 1 1 394.410 3.627 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001247665692 1038301130 /nfs/dbraw/zinc/30/11/30/1038301130.db2.gz IHJSSSRDFGOEII-SFHVURJKSA-N 1 1 387.399 3.949 20 5 GHBDMO O[C@@]1(CNc2cccc3nc4ccccc4nc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001252939671 1039284423 /nfs/dbraw/zinc/28/44/23/1039284423.db2.gz VFGVRDCTXOUBRQ-XMMPIXPASA-N 1 1 384.483 3.832 20 5 GHBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001233532697 1039418337 /nfs/dbraw/zinc/41/83/37/1039418337.db2.gz ZSGXPVJQWAVOGH-HWWDLCQESA-N 1 1 376.453 3.659 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001234050315 1039785429 /nfs/dbraw/zinc/78/54/29/1039785429.db2.gz HGNUPTULQKBSHB-MGPUTAFESA-N 1 1 384.432 3.671 20 5 GHBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254482408 1040269851 /nfs/dbraw/zinc/26/98/51/1040269851.db2.gz IWOCIUWFEKUZJC-UHFFFAOYSA-N 1 1 383.448 3.814 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC001254482469 1040270342 /nfs/dbraw/zinc/27/03/42/1040270342.db2.gz JHTUGEJSHNXYEM-UHFFFAOYSA-N 1 1 398.482 3.915 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001254551502 1040319085 /nfs/dbraw/zinc/31/90/85/1040319085.db2.gz CHSRQDHIJACZRA-MGPUTAFESA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001254554297 1040323110 /nfs/dbraw/zinc/32/31/10/1040323110.db2.gz BOFIIEHZWAPFNY-ZHODDXKCSA-N 1 1 397.475 3.622 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001254556913 1040325605 /nfs/dbraw/zinc/32/56/05/1040325605.db2.gz NFGQXIOCDQGHGU-BPQIPLTHSA-N 1 1 386.521 3.579 20 5 GHBDMO Cc1ccc(C[N@H+]2C[C@H]3CN([C@@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3C2)cc1 ZINC001254563404 1040336011 /nfs/dbraw/zinc/33/60/11/1040336011.db2.gz ZWJPSXGFMQNRNC-YUXAGFNASA-N 1 1 379.504 3.898 20 5 GHBDMO Cc1ccc(CN2C[C@@H]3C[N@H+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cc1 ZINC001254563404 1040336098 /nfs/dbraw/zinc/33/60/98/1040336098.db2.gz ZWJPSXGFMQNRNC-YUXAGFNASA-N 1 1 379.504 3.898 20 5 GHBDMO Cc1ccc(CN2C[C@@H]3C[N@@H+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cc1 ZINC001254563404 1040336112 /nfs/dbraw/zinc/33/61/12/1040336112.db2.gz ZWJPSXGFMQNRNC-YUXAGFNASA-N 1 1 379.504 3.898 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001254568531 1040345632 /nfs/dbraw/zinc/34/56/32/1040345632.db2.gz ZZWWFYPMFKVUIG-JKSUJKDBSA-N 1 1 377.485 3.715 20 5 GHBDMO CC[C@@H]1[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001254596595 1040369499 /nfs/dbraw/zinc/36/94/99/1040369499.db2.gz PMTMGOQBVVLJCM-FUDKSRODSA-N 1 1 397.519 3.708 20 5 GHBDMO CC(C)[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605728 1040376949 /nfs/dbraw/zinc/37/69/49/1040376949.db2.gz DBWBXRFZUNVUFT-OALUTQOASA-N 1 1 389.496 3.782 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H](c2ccccc2)C1 ZINC001254606100 1040378067 /nfs/dbraw/zinc/37/80/67/1040378067.db2.gz DUWGEJSAQVGHGS-JRGCBEDISA-N 1 1 380.444 3.688 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H](c2ccccc2)C1 ZINC001254606102 1040378969 /nfs/dbraw/zinc/37/89/69/1040378969.db2.gz DUWGEJSAQVGHGS-UIFIKXQLSA-N 1 1 380.444 3.688 20 5 GHBDMO CC[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001254608656 1040379560 /nfs/dbraw/zinc/37/95/60/1040379560.db2.gz RXXASQUXYGSQQK-MOPGFXCFSA-N 1 1 389.496 3.783 20 5 GHBDMO COc1cc(Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)ccc1[N+](=O)[O-] ZINC001255446367 1041047242 /nfs/dbraw/zinc/04/72/42/1041047242.db2.gz VUONQZGQFICSFU-QGZVFWFLSA-N 1 1 394.431 3.567 20 5 GHBDMO COc1cc(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001462538685 1070340286 /nfs/dbraw/zinc/34/02/86/1070340286.db2.gz MZOYKYPNXDFCSM-IBGZPJMESA-N 1 1 397.475 3.730 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@@H]3c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC001256098969 1041525607 /nfs/dbraw/zinc/52/56/07/1041525607.db2.gz HNKNCNCMPZVUFB-LJQANCHMSA-N 1 1 382.464 3.804 20 5 GHBDMO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001258022609 1044350264 /nfs/dbraw/zinc/35/02/64/1044350264.db2.gz BROKCDGMIIFCDT-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO CC(C)(NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001294472722 1044651568 /nfs/dbraw/zinc/65/15/68/1044651568.db2.gz FCWIIXZQALTMGB-LJQANCHMSA-N 1 1 395.503 3.901 20 5 GHBDMO CC[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001296189040 1045276819 /nfs/dbraw/zinc/27/68/19/1045276819.db2.gz RFNBADVSPKGGCA-SFHVURJKSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001296189040 1045276827 /nfs/dbraw/zinc/27/68/27/1045276827.db2.gz RFNBADVSPKGGCA-SFHVURJKSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001296188585 1045277427 /nfs/dbraw/zinc/27/74/27/1045277427.db2.gz LVKNMRGZYRWXBW-MRXNPFEDSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001296188585 1045277434 /nfs/dbraw/zinc/27/74/34/1045277434.db2.gz LVKNMRGZYRWXBW-MRXNPFEDSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001299788354 1046037245 /nfs/dbraw/zinc/03/72/45/1046037245.db2.gz KLQBRGWETLHJGC-HXUWFJFHSA-N 1 1 393.487 3.650 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001299788354 1046037257 /nfs/dbraw/zinc/03/72/57/1046037257.db2.gz KLQBRGWETLHJGC-HXUWFJFHSA-N 1 1 393.487 3.650 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001262356264 1046245945 /nfs/dbraw/zinc/24/59/45/1046245945.db2.gz WNSSJWXGWJYFMZ-YLJYHZDGSA-N 1 1 386.448 3.909 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC001302723360 1047066886 /nfs/dbraw/zinc/06/68/86/1047066886.db2.gz NEMHHCSDRHNTAQ-KRWDZBQOSA-N 1 1 385.489 3.629 20 5 GHBDMO CCCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001306669979 1048797302 /nfs/dbraw/zinc/79/73/02/1048797302.db2.gz VPTOCCQDXCEQQI-OAHLLOKOSA-N 1 1 386.500 3.572 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC001287943795 1048953830 /nfs/dbraw/zinc/95/38/30/1048953830.db2.gz XGBVJVRBDVFUTB-OAHLLOKOSA-N 1 1 377.510 3.844 20 5 GHBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC001307094490 1049070529 /nfs/dbraw/zinc/07/05/29/1049070529.db2.gz WGNAWJSPJBWHRB-GOSISDBHSA-N 1 1 392.459 3.846 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001307170040 1049117363 /nfs/dbraw/zinc/11/73/63/1049117363.db2.gz SUXYGMTWIJZHAI-GFCCVEGCSA-N 1 1 381.860 3.854 20 5 GHBDMO C[N@H+]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CCC1(C)C ZINC001307178418 1049121003 /nfs/dbraw/zinc/12/10/03/1049121003.db2.gz IOQATPIQIQGZFP-UHFFFAOYSA-N 1 1 382.333 3.564 20 5 GHBDMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC001307192748 1049129071 /nfs/dbraw/zinc/12/90/71/1049129071.db2.gz FUPGYUDCRPQQIJ-GOSISDBHSA-N 1 1 387.455 3.717 20 5 GHBDMO CC(C)[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H](O)COc1cccc2ccccc21 ZINC001307458550 1049294890 /nfs/dbraw/zinc/29/48/90/1049294890.db2.gz HURPNBSXTSNRLR-LJQANCHMSA-N 1 1 395.459 3.793 20 5 GHBDMO CC(C)[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H](O)COc1cccc2ccccc21 ZINC001307458550 1049294908 /nfs/dbraw/zinc/29/49/08/1049294908.db2.gz HURPNBSXTSNRLR-LJQANCHMSA-N 1 1 395.459 3.793 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001307502232 1049343541 /nfs/dbraw/zinc/34/35/41/1049343541.db2.gz UMTXCSRXWAHWFQ-MSOLQXFVSA-N 1 1 396.491 3.518 20 5 GHBDMO C[N@@H+](CCOc1ccccc1Br)CCc1ccccc1[N+](=O)[O-] ZINC001307761981 1049575404 /nfs/dbraw/zinc/57/54/04/1049575404.db2.gz WHCZBXLYVDMLMW-UHFFFAOYSA-N 1 1 379.254 3.911 20 5 GHBDMO C[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC12CCCCC2 ZINC001307782802 1049588885 /nfs/dbraw/zinc/58/88/85/1049588885.db2.gz IXVWCPVGVMWLPN-UHFFFAOYSA-N 1 1 382.302 3.808 20 5 GHBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001307857042 1049638810 /nfs/dbraw/zinc/63/88/10/1049638810.db2.gz AUPCHBNKCBQBQD-HLLBOEOZSA-N 1 1 377.485 3.966 20 5 GHBDMO C[C@@]1(Cc2ccc(F)c(Cl)c2)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001308004952 1049752537 /nfs/dbraw/zinc/75/25/37/1049752537.db2.gz FJMZZOAPASJCOW-IBGZPJMESA-N 1 1 393.846 3.646 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCC[C@@H](CF)C1 ZINC001308034423 1049784916 /nfs/dbraw/zinc/78/49/16/1049784916.db2.gz JWJBLNWXLKMRFS-STQMWFEESA-N 1 1 392.456 3.727 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCC[C@@H](CF)C1 ZINC001308034423 1049784924 /nfs/dbraw/zinc/78/49/24/1049784924.db2.gz JWJBLNWXLKMRFS-STQMWFEESA-N 1 1 392.456 3.727 20 5 GHBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC001308656910 1050050509 /nfs/dbraw/zinc/05/05/09/1050050509.db2.gz RCIVJYLPACDNHG-UHFFFAOYSA-N 1 1 380.492 3.907 20 5 GHBDMO COc1cc(CC2C[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC001308810595 1050104234 /nfs/dbraw/zinc/10/42/34/1050104234.db2.gz WOTJVAYUEHAWTL-UHFFFAOYSA-N 1 1 376.840 3.940 20 5 GHBDMO COc1c(O)ccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)c1[N+](=O)[O-] ZINC001308836440 1050115237 /nfs/dbraw/zinc/11/52/37/1050115237.db2.gz SNIKSMBJBKYAEO-UHFFFAOYSA-N 1 1 378.375 3.967 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCCC[N@@H+]3Cc3ccccc3)nc2c1 ZINC001308904283 1050152204 /nfs/dbraw/zinc/15/22/04/1050152204.db2.gz JXGLVSKCEDAPCN-GOSISDBHSA-N 1 1 380.448 3.880 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCCC[N@H+]3Cc3ccccc3)nc2c1 ZINC001308904283 1050152212 /nfs/dbraw/zinc/15/22/12/1050152212.db2.gz JXGLVSKCEDAPCN-GOSISDBHSA-N 1 1 380.448 3.880 20 5 GHBDMO Cc1cc(NC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cc(C)[nH+]1 ZINC001328714170 1050603018 /nfs/dbraw/zinc/60/30/18/1050603018.db2.gz PJUJRAAVQNBXRW-AWEZNQCLSA-N 1 1 386.305 3.593 20 5 GHBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001310802090 1051601905 /nfs/dbraw/zinc/60/19/05/1051601905.db2.gz RHSNVYCCOQCBLU-UHFFFAOYSA-N 1 1 388.855 3.906 20 5 GHBDMO CCOc1cc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001310945756 1051723845 /nfs/dbraw/zinc/72/38/45/1051723845.db2.gz XUKOUVLZZKUBKR-CRAIPNDOSA-N 1 1 398.463 3.636 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001335093998 1052033153 /nfs/dbraw/zinc/03/31/53/1052033153.db2.gz WNYNBTOAYVZHSG-FASAQXTFSA-N 1 1 386.427 3.540 20 5 GHBDMO CC[C@H](NC(=O)N1CC[NH+](Cc2ccccc2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001312433605 1052741793 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IQBGSHPIGJIFMH-KRWDZBQOSA-N 1 1 375.469 3.519 20 5 GHBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001458547036 1063882234 /nfs/dbraw/zinc/88/22/34/1063882234.db2.gz MRCXKKCCJJWEJS-AWEZNQCLSA-N 1 1 383.290 3.961 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001458594201 1063901963 /nfs/dbraw/zinc/90/19/63/1063901963.db2.gz ZMTZUDHMLSHKMG-IBGZPJMESA-N 1 1 388.427 3.573 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001458594201 1063901970 /nfs/dbraw/zinc/90/19/70/1063901970.db2.gz ZMTZUDHMLSHKMG-IBGZPJMESA-N 1 1 388.427 3.573 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC001438197587 1064004331 /nfs/dbraw/zinc/00/43/31/1064004331.db2.gz LFGCSDRYPXKZOY-INIZCTEOSA-N 1 1 394.475 3.688 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001459315597 1064060018 /nfs/dbraw/zinc/06/00/18/1064060018.db2.gz QDHROOXVEONDKU-ZGQNHIEXSA-N 1 1 379.460 3.635 20 5 GHBDMO COc1ccccc1OCC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001459329490 1064065048 /nfs/dbraw/zinc/06/50/48/1064065048.db2.gz ZOMLRQJSKRHZPU-UHFFFAOYSA-N 1 1 395.253 3.877 20 5 GHBDMO COc1ccccc1OCC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001459329490 1064065055 /nfs/dbraw/zinc/06/50/55/1064065055.db2.gz ZOMLRQJSKRHZPU-UHFFFAOYSA-N 1 1 395.253 3.877 20 5 GHBDMO CO[C@]1(C)C[C@H]([N@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1(C)C ZINC001459570326 1064131279 /nfs/dbraw/zinc/13/12/79/1064131279.db2.gz YGXZYONQRORMTR-KBXCAEBGSA-N 1 1 394.859 3.934 20 5 GHBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1(C)C ZINC001459570326 1064131283 /nfs/dbraw/zinc/13/12/83/1064131283.db2.gz YGXZYONQRORMTR-KBXCAEBGSA-N 1 1 394.859 3.934 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)Cc1ccsc1 ZINC001459620438 1064146228 /nfs/dbraw/zinc/14/62/28/1064146228.db2.gz ICJIMWYIGRRNKA-ZDUSSCGKSA-N 1 1 377.466 3.557 20 5 GHBDMO 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CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001460927631 1069278675 /nfs/dbraw/zinc/27/86/75/1069278675.db2.gz CGGBINABJUYNRB-AVGNSLFASA-N 1 1 397.422 3.751 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)cc1[N+](=O)[O-] ZINC001470710809 1072697101 /nfs/dbraw/zinc/69/71/01/1072697101.db2.gz HAVUYDBXLNZNLF-QGZVFWFLSA-N 1 1 385.489 3.629 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C)c3)C2)cc1[N+](=O)[O-] ZINC001470710804 1072697115 /nfs/dbraw/zinc/69/71/15/1072697115.db2.gz HAVUYDBXLNZNLF-KRWDZBQOSA-N 1 1 385.489 3.629 20 5 GHBDMO C[C@@H](NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001471321084 1073018390 /nfs/dbraw/zinc/01/83/90/1073018390.db2.gz JNSHRCBMOOEHKQ-BSIFCXSSSA-N 1 1 394.475 3.572 20 5 GHBDMO CC[N@@H+](CCCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001478928121 1079029109 /nfs/dbraw/zinc/02/91/09/1079029109.db2.gz NWXPNLGESWUDMB-UHFFFAOYSA-N 1 1 376.501 3.747 20 5 GHBDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001472227304 1073375133 /nfs/dbraw/zinc/37/51/33/1073375133.db2.gz LSHNFTONKBJNTQ-QZTJIDSGSA-N 1 1 396.491 3.972 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[N@@H+](C)Cc1ccccc1 ZINC001472667962 1073606644 /nfs/dbraw/zinc/60/66/44/1073606644.db2.gz FDTQMYBUZQLZNZ-UHFFFAOYSA-N 1 1 377.828 3.579 20 5 GHBDMO CC[N@H+]1CCCC[C@H]1CNc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001472693228 1073623013 /nfs/dbraw/zinc/62/30/13/1073623013.db2.gz XATLSWOQNNNYGH-ZDUSSCGKSA-N 1 1 393.285 3.614 20 5 GHBDMO COC(=O)Cc1ccc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001472718570 1073633675 /nfs/dbraw/zinc/63/36/75/1073633675.db2.gz FPJGKAQYEFLGOJ-MRXNPFEDSA-N 1 1 385.464 3.633 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC001472723767 1073637309 /nfs/dbraw/zinc/63/73/09/1073637309.db2.gz LTAIRKGNOXCEKG-HNNXBMFYSA-N 1 1 376.457 3.984 20 5 GHBDMO O=[N+]([O-])c1c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc2cnccc21 ZINC001472756328 1073652877 /nfs/dbraw/zinc/65/28/77/1073652877.db2.gz CNPQVPBBLXWUAH-LJQANCHMSA-N 1 1 392.459 3.846 20 5 GHBDMO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001472859333 1073697778 /nfs/dbraw/zinc/69/77/78/1073697778.db2.gz FWEMLBTXYPXULH-LHUXKHBRSA-N 1 1 395.459 3.776 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC001472867384 1073703709 /nfs/dbraw/zinc/70/37/09/1073703709.db2.gz FGKOLDAUFGJATR-IBGZPJMESA-N 1 1 397.475 3.872 20 5 GHBDMO C[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[N@H+]1C1CCCC1 ZINC001472878232 1073708692 /nfs/dbraw/zinc/70/86/92/1073708692.db2.gz MPHBWWYMIVFKGQ-GFCCVEGCSA-N 1 1 375.860 3.645 20 5 GHBDMO C[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC001473205641 1073859018 /nfs/dbraw/zinc/85/90/18/1073859018.db2.gz LJCUZJWGYUJWLY-SUMWQHHRSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC001473205641 1073859025 /nfs/dbraw/zinc/85/90/25/1073859025.db2.gz LJCUZJWGYUJWLY-SUMWQHHRSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473269698 1073900416 /nfs/dbraw/zinc/90/04/16/1073900416.db2.gz HHPHULVRUUSODS-IBGZPJMESA-N 1 1 381.476 3.827 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCc4ccc(Cl)cc4)CC3)nc2c1 ZINC001473364738 1073936703 /nfs/dbraw/zinc/93/67/03/1073936703.db2.gz RYFRXZXEZOUYGF-UHFFFAOYSA-N 1 1 399.882 3.879 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001473466611 1073979166 /nfs/dbraw/zinc/97/91/66/1073979166.db2.gz JMWKVSORJDXHQK-HSZRJFAPSA-N 1 1 395.503 3.962 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001473466611 1073979168 /nfs/dbraw/zinc/97/91/68/1073979168.db2.gz JMWKVSORJDXHQK-HSZRJFAPSA-N 1 1 395.503 3.962 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001473466611 1073979171 /nfs/dbraw/zinc/97/91/71/1073979171.db2.gz JMWKVSORJDXHQK-HSZRJFAPSA-N 1 1 395.503 3.962 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001473466611 1073979175 /nfs/dbraw/zinc/97/91/75/1073979175.db2.gz JMWKVSORJDXHQK-HSZRJFAPSA-N 1 1 395.503 3.962 20 5 GHBDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473507329 1073994185 /nfs/dbraw/zinc/99/41/85/1073994185.db2.gz XGICMXMHKULCOE-QINHECLXSA-N 1 1 379.460 3.750 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473575068 1074024528 /nfs/dbraw/zinc/02/45/28/1074024528.db2.gz KDTIXCJQUARQTD-HNNXBMFYSA-N 1 1 393.440 3.979 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473575068 1074024539 /nfs/dbraw/zinc/02/45/39/1074024539.db2.gz KDTIXCJQUARQTD-HNNXBMFYSA-N 1 1 393.440 3.979 20 5 GHBDMO CC(C)(C)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC001473665419 1074074502 /nfs/dbraw/zinc/07/45/02/1074074502.db2.gz DWFPPPRROMWJBI-UHFFFAOYSA-N 1 1 393.484 3.613 20 5 GHBDMO CC(C)(C)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC001473665419 1074074509 /nfs/dbraw/zinc/07/45/09/1074074509.db2.gz DWFPPPRROMWJBI-UHFFFAOYSA-N 1 1 393.484 3.613 20 5 GHBDMO O=C(C[N@H+]1CCCC2(CC2)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001473688094 1074087865 /nfs/dbraw/zinc/08/78/65/1074087865.db2.gz QBQPHNGEBXFUGL-UHFFFAOYSA-N 1 1 386.477 3.923 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@]2(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001473754819 1074124661 /nfs/dbraw/zinc/12/46/61/1074124661.db2.gz KNKVAQVCMDEFMP-OAQYLSRUSA-N 1 1 383.448 3.943 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@]2(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001473754819 1074124664 /nfs/dbraw/zinc/12/46/64/1074124664.db2.gz KNKVAQVCMDEFMP-OAQYLSRUSA-N 1 1 383.448 3.943 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001473849776 1074174445 /nfs/dbraw/zinc/17/44/45/1074174445.db2.gz KBXYBICMSCNGLR-ZBFHGGJFSA-N 1 1 377.485 3.886 20 5 GHBDMO C[C@](CO)([NH2+]Cc1cnc(-c2cccs2)s1)c1cccc([N+](=O)[O-])c1 ZINC001474234817 1074303789 /nfs/dbraw/zinc/30/37/89/1074303789.db2.gz HTXMKSSYCGMDIS-QGZVFWFLSA-N 1 1 375.475 3.777 20 5 GHBDMO C[N@H+]1CCn2nc(NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cc2C1 ZINC001474246228 1074308447 /nfs/dbraw/zinc/30/84/47/1074308447.db2.gz YHKDSDUZKSFLJE-UHFFFAOYSA-N 1 1 387.827 3.762 20 5 GHBDMO Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C(C)C)c1 ZINC001474309427 1074335046 /nfs/dbraw/zinc/33/50/46/1074335046.db2.gz CAVRYYQOQVGCGB-KRWDZBQOSA-N 1 1 399.447 3.695 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001474612580 1074484120 /nfs/dbraw/zinc/48/41/20/1074484120.db2.gz MCGXLADQPBRUQG-PKTZIBPZSA-N 1 1 395.503 3.687 20 5 GHBDMO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826500321 608858884 /nfs/dbraw/zinc/85/88/84/608858884.db2.gz TZLYLQZUUFGCAP-HYXAFXHYSA-N 1 1 388.431 3.577 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721217 720357696 /nfs/dbraw/zinc/35/76/96/720357696.db2.gz BQMAZZNELYFEMR-ZIAGYGMSSA-N 1 1 394.262 3.545 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164954604 722012726 /nfs/dbraw/zinc/01/27/26/722012726.db2.gz MVGQPJNNLUSAQC-UHFFFAOYSA-N 1 1 387.871 3.531 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)s1 ZINC000580824601 837410971 /nfs/dbraw/zinc/41/09/71/837410971.db2.gz BMWONGSJTHWESD-INIZCTEOSA-N 1 1 387.505 3.867 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)[C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000180977579 837752619 /nfs/dbraw/zinc/75/26/19/837752619.db2.gz UOUQWCHLSSIKSS-INIZCTEOSA-N 1 1 385.464 3.505 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4F)o3)CC2)cn1 ZINC000535072354 834739817 /nfs/dbraw/zinc/73/98/17/834739817.db2.gz LQKKGRPZAYXFLC-UHFFFAOYSA-N 1 1 382.395 3.711 20 5 GHBDMO C[C@H](CCSc1ccccc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000583766614 835008040 /nfs/dbraw/zinc/00/80/40/835008040.db2.gz TUOVKKWDBJBJGJ-QGZVFWFLSA-N 1 1 399.516 3.924 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612132289 835587558 /nfs/dbraw/zinc/58/75/58/835587558.db2.gz JBAGDMIACGYULC-VLCRHTCISA-N 1 1 393.487 3.934 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052829915 835686861 /nfs/dbraw/zinc/68/68/61/835686861.db2.gz ZJPSJFNQBCSJEP-HNNXBMFYSA-N 1 1 388.855 3.536 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000046615551 835806153 /nfs/dbraw/zinc/80/61/53/835806153.db2.gz LKBFJIBWZRNYJZ-OAHLLOKOSA-N 1 1 382.464 3.603 20 5 GHBDMO CCCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000179612343 835890905 /nfs/dbraw/zinc/89/09/05/835890905.db2.gz WSZBXOHVGTVAEA-QGZVFWFLSA-N 1 1 392.477 3.644 20 5 GHBDMO CCCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000179612343 835890910 /nfs/dbraw/zinc/89/09/10/835890910.db2.gz WSZBXOHVGTVAEA-QGZVFWFLSA-N 1 1 392.477 3.644 20 5 GHBDMO CNc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000548910049 836027874 /nfs/dbraw/zinc/02/78/74/836027874.db2.gz AGHJYCBANVQHJR-FQEVSTJZSA-N 1 1 396.491 3.667 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000053086984 836040948 /nfs/dbraw/zinc/04/09/48/836040948.db2.gz BWCJJWHRHQDTMR-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000053086984 836040956 /nfs/dbraw/zinc/04/09/56/836040956.db2.gz BWCJJWHRHQDTMR-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3c4ccccc4CC34CCOCC4)nc2c1 ZINC000290184938 836254966 /nfs/dbraw/zinc/25/49/66/836254966.db2.gz RHGVGFNEFDYZFV-HXUWFJFHSA-N 1 1 379.416 3.920 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173969078 836348114 /nfs/dbraw/zinc/34/81/14/836348114.db2.gz AXMOHDBJHCRNSQ-ZFWWWQNUSA-N 1 1 387.402 3.779 20 5 GHBDMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000414210004 836549319 /nfs/dbraw/zinc/54/93/19/836549319.db2.gz LYKPKWKQYVLRNY-GFCCVEGCSA-N 1 1 382.869 3.893 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000174964055 836612200 /nfs/dbraw/zinc/61/22/00/836612200.db2.gz PKVLVZCWCDECQH-INIZCTEOSA-N 1 1 387.867 3.842 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247055755 836686916 /nfs/dbraw/zinc/68/69/16/836686916.db2.gz PGGMQTYHZXDGNF-IAGOWNOFSA-N 1 1 385.489 3.783 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](CCc2ccccn2)Cc2cccnc2)cc1 ZINC000430342566 836732651 /nfs/dbraw/zinc/73/26/51/836732651.db2.gz HOYNAZISYDBWMK-UHFFFAOYSA-N 1 1 378.432 3.509 20 5 GHBDMO C[C@@H]1C[N@@H+](CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000025151624 844198079 /nfs/dbraw/zinc/19/80/79/844198079.db2.gz IRVZASFTAXJDSE-CALCHBBNSA-N 1 1 397.475 3.737 20 5 GHBDMO C[C@@H]1C[N@H+](CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000025151624 844198087 /nfs/dbraw/zinc/19/80/87/844198087.db2.gz IRVZASFTAXJDSE-CALCHBBNSA-N 1 1 397.475 3.737 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000177656669 836962052 /nfs/dbraw/zinc/96/20/52/836962052.db2.gz OFMUMBXZBWVQQP-MRXNPFEDSA-N 1 1 387.867 3.842 20 5 GHBDMO CC(C)(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000471297563 837103345 /nfs/dbraw/zinc/10/33/45/837103345.db2.gz SSFYKQAFAJTXCC-GOSISDBHSA-N 1 1 381.476 3.511 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000578782223 837909597 /nfs/dbraw/zinc/90/95/97/837909597.db2.gz QFKKZEJSBJRFKT-INIZCTEOSA-N 1 1 397.504 3.948 20 5 GHBDMO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1c(F)cccc1F ZINC000101561730 837954560 /nfs/dbraw/zinc/95/45/60/837954560.db2.gz ZHAYCRUXEHXLFH-UHFFFAOYSA-N 1 1 393.390 3.732 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1c(F)cccc1F ZINC000101561730 837954564 /nfs/dbraw/zinc/95/45/64/837954564.db2.gz ZHAYCRUXEHXLFH-UHFFFAOYSA-N 1 1 393.390 3.732 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177533538 837974198 /nfs/dbraw/zinc/97/41/98/837974198.db2.gz TUSHJIAGJONSLP-MAUKXSAKSA-N 1 1 383.448 3.810 20 5 GHBDMO CC(C)[N@@H+](CCC(=O)N1CCc2ccccc2C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000188976287 838023731 /nfs/dbraw/zinc/02/37/31/838023731.db2.gz PRTSVQDBWQGDTE-UHFFFAOYSA-N 1 1 381.476 3.780 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610003732 838275293 /nfs/dbraw/zinc/27/52/93/838275293.db2.gz IRZREQBJCBEKQB-ZDUSSCGKSA-N 1 1 387.411 3.690 20 5 GHBDMO Cc1cccc(C(=O)N2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000129034927 844310456 /nfs/dbraw/zinc/31/04/56/844310456.db2.gz RYNILWKRXHSGJK-BJMVGYQFSA-N 1 1 379.460 3.765 20 5 GHBDMO Cc1cccc(C(=O)N2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000129034927 844310470 /nfs/dbraw/zinc/31/04/70/844310470.db2.gz RYNILWKRXHSGJK-BJMVGYQFSA-N 1 1 379.460 3.765 20 5 GHBDMO COC1CC[NH+](C2(CNc3cc(C)nc4ccc([N+](=O)[O-])cc43)CCCC2)CC1 ZINC000541188704 838316606 /nfs/dbraw/zinc/31/66/06/838316606.db2.gz FPKATPAWELEHDO-UHFFFAOYSA-N 1 1 398.507 3.709 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000110248628 838556556 /nfs/dbraw/zinc/55/65/56/838556556.db2.gz MRIXLQNKQIZMKJ-UHFFFAOYSA-N 1 1 388.786 3.811 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000549408672 838731129 /nfs/dbraw/zinc/73/11/29/838731129.db2.gz OYDYPNFBBPGNQT-UHFFFAOYSA-N 1 1 389.818 3.643 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000549408672 838731139 /nfs/dbraw/zinc/73/11/39/838731139.db2.gz OYDYPNFBBPGNQT-UHFFFAOYSA-N 1 1 389.818 3.643 20 5 GHBDMO O=C(CC[N@@H+]1CC[C@](F)(c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000549412172 838778963 /nfs/dbraw/zinc/77/89/63/838778963.db2.gz MOKQMYGSAUIFFS-LJQANCHMSA-N 1 1 375.375 3.633 20 5 GHBDMO O=C(CC[N@H+]1CC[C@](F)(c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000549412172 838778966 /nfs/dbraw/zinc/77/89/66/838778966.db2.gz MOKQMYGSAUIFFS-LJQANCHMSA-N 1 1 375.375 3.633 20 5 GHBDMO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167350447 838822142 /nfs/dbraw/zinc/82/21/42/838822142.db2.gz JNQCKSKHYIQWMD-QGZVFWFLSA-N 1 1 393.484 3.695 20 5 GHBDMO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc(N2CCCC2)[nH+]1 ZINC000412357979 838960604 /nfs/dbraw/zinc/96/06/04/838960604.db2.gz MPLHVXWWFKCIKE-UHFFFAOYSA-N 1 1 398.463 3.616 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000580150814 838975399 /nfs/dbraw/zinc/97/53/99/838975399.db2.gz KFQSZRUYVKBGQP-UHFFFAOYSA-N 1 1 377.828 3.695 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c([N+](=O)[O-])c2)cc1 ZINC000610411039 839187322 /nfs/dbraw/zinc/18/73/22/839187322.db2.gz XWNMSPQFSZSPIG-MOPGFXCFSA-N 1 1 394.475 3.828 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541105552 839187974 /nfs/dbraw/zinc/18/79/74/839187974.db2.gz BDNJMGTUGUQDHX-WMLDXEAASA-N 1 1 384.436 3.560 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c2ncccc12 ZINC000302061154 861191861 /nfs/dbraw/zinc/19/18/61/861191861.db2.gz SYIFGRROTVXQTQ-SFHVURJKSA-N 1 1 392.459 3.712 20 5 GHBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000110585829 840209324 /nfs/dbraw/zinc/20/93/24/840209324.db2.gz QTTWSSQPTXJLSP-CYBMUJFWSA-N 1 1 379.258 3.958 20 5 GHBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000110594715 840233066 /nfs/dbraw/zinc/23/30/66/840233066.db2.gz YHHMLGBOFGGUHT-QGZVFWFLSA-N 1 1 396.491 3.763 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000610466767 840394045 /nfs/dbraw/zinc/39/40/45/840394045.db2.gz ULZBHLFZZVDGJC-JOCHJYFZSA-N 1 1 379.460 3.723 20 5 GHBDMO COc1c(C)cc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000110290878 840661457 /nfs/dbraw/zinc/66/14/57/840661457.db2.gz YTLPMAJPPZTQOS-UHFFFAOYSA-N 1 1 391.855 3.944 20 5 GHBDMO COc1c(C)cc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000110290878 840661464 /nfs/dbraw/zinc/66/14/64/840661464.db2.gz YTLPMAJPPZTQOS-UHFFFAOYSA-N 1 1 391.855 3.944 20 5 GHBDMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000511766233 840691043 /nfs/dbraw/zinc/69/10/43/840691043.db2.gz CWHDQXPDETXDLR-HXUWFJFHSA-N 1 1 397.475 3.634 20 5 GHBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181668152 840887720 /nfs/dbraw/zinc/88/77/20/840887720.db2.gz VOBCKJBYOUTQGM-STQMWFEESA-N 1 1 397.422 3.579 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000432164184 840907508 /nfs/dbraw/zinc/90/75/08/840907508.db2.gz AZCNDBUECCBBDF-MRXNPFEDSA-N 1 1 375.856 3.817 20 5 GHBDMO Cc1sc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000106405484 840940629 /nfs/dbraw/zinc/94/06/29/840940629.db2.gz YLNKLCFNGQWRTK-GFCCVEGCSA-N 1 1 375.450 3.610 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000500076894 841378271 /nfs/dbraw/zinc/37/82/71/841378271.db2.gz UOMXTEOJVBUALA-GOSISDBHSA-N 1 1 397.475 3.887 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024664002 841588537 /nfs/dbraw/zinc/58/85/37/841588537.db2.gz QIHAAKIERWLSMV-LSDHHAIUSA-N 1 1 394.431 3.943 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024664002 841588547 /nfs/dbraw/zinc/58/85/47/841588547.db2.gz QIHAAKIERWLSMV-LSDHHAIUSA-N 1 1 394.431 3.943 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024663994 841588904 /nfs/dbraw/zinc/58/89/04/841588904.db2.gz QIHAAKIERWLSMV-HUUCEWRRSA-N 1 1 394.431 3.943 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024663994 841588910 /nfs/dbraw/zinc/58/89/10/841588910.db2.gz QIHAAKIERWLSMV-HUUCEWRRSA-N 1 1 394.431 3.943 20 5 GHBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000302165348 861226047 /nfs/dbraw/zinc/22/60/47/861226047.db2.gz OQWNECGNIYDDRH-UHFFFAOYSA-N 1 1 376.844 3.516 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000108784248 841695333 /nfs/dbraw/zinc/69/53/33/841695333.db2.gz RSBCUBCPJCMDQQ-OAHLLOKOSA-N 1 1 381.432 3.601 20 5 GHBDMO COC[C@@H](C)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000510434271 841701275 /nfs/dbraw/zinc/70/12/75/841701275.db2.gz CKYMOWGWFFTDFB-MRXNPFEDSA-N 1 1 380.448 3.914 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000302179312 861230065 /nfs/dbraw/zinc/23/00/65/861230065.db2.gz PZFJMOCUSSDDCP-UZLBHIALSA-N 1 1 396.491 3.665 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000603824969 861235688 /nfs/dbraw/zinc/23/56/88/861235688.db2.gz NGUCWXIZDSIPBK-CQSZACIVSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000603824969 861235704 /nfs/dbraw/zinc/23/57/04/861235704.db2.gz NGUCWXIZDSIPBK-CQSZACIVSA-N 1 1 385.247 3.773 20 5 GHBDMO C[C@@H](OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000046836078 841879483 /nfs/dbraw/zinc/87/94/83/841879483.db2.gz PEYBCYNZSHCAAE-KDOFPFPSSA-N 1 1 378.856 3.819 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000125487358 841888814 /nfs/dbraw/zinc/88/88/14/841888814.db2.gz OIRNQFIHRGCSGP-UHFFFAOYSA-N 1 1 388.493 3.999 20 5 GHBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC001266797193 842004966 /nfs/dbraw/zinc/00/49/66/842004966.db2.gz IEGFCTDQAVEOQH-HZPDHXFCSA-N 1 1 382.464 3.893 20 5 GHBDMO CCOc1cc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000136921854 842018891 /nfs/dbraw/zinc/01/88/91/842018891.db2.gz ODYCSTCEFFNDOY-MRXNPFEDSA-N 1 1 396.390 3.760 20 5 GHBDMO CC1([NH+]2CCOCC2)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000600201473 861263781 /nfs/dbraw/zinc/26/37/81/861263781.db2.gz NCUWISHVYGEMSY-UHFFFAOYSA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1NC1CC[NH+](Cc3ccc(F)c(F)c3)CC1)CCN2 ZINC000302414551 861278658 /nfs/dbraw/zinc/27/86/58/861278658.db2.gz HOZCGGUAQMJSIU-UHFFFAOYSA-N 1 1 388.418 3.918 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000609489581 842307119 /nfs/dbraw/zinc/30/71/19/842307119.db2.gz TWZOPPFRMHRIDJ-AWEZNQCLSA-N 1 1 379.526 3.947 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000599533334 861299372 /nfs/dbraw/zinc/29/93/72/861299372.db2.gz LIJMZOZXXXFTEC-UHFFFAOYSA-N 1 1 384.461 3.976 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000134656702 842421527 /nfs/dbraw/zinc/42/15/27/842421527.db2.gz SGUHXXYMHONEKN-CVEARBPZSA-N 1 1 393.484 3.741 20 5 GHBDMO C[C@@H]1C[N@@H+](CCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000432427724 842463079 /nfs/dbraw/zinc/46/30/79/842463079.db2.gz DSRSDQPROVRZGH-GCJKJVERSA-N 1 1 383.492 3.775 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1 ZINC000728899544 842795427 /nfs/dbraw/zinc/79/54/27/842795427.db2.gz WODKXOHWCMPQPY-UHFFFAOYSA-N 1 1 380.448 3.989 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600229020 861350319 /nfs/dbraw/zinc/35/03/19/861350319.db2.gz NPPGZXAVBCKJIB-PBHICJAKSA-N 1 1 377.510 3.599 20 5 GHBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430752562 842931762 /nfs/dbraw/zinc/93/17/62/842931762.db2.gz HBRSCNMXVNENML-VIFPVBQESA-N 1 1 385.317 3.658 20 5 GHBDMO COc1cc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000512192675 842948992 /nfs/dbraw/zinc/94/89/92/842948992.db2.gz BGEBHASICAAKHQ-IAGOWNOFSA-N 1 1 391.512 3.698 20 5 GHBDMO COc1cccc2c(N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc(C)[nH+]c12 ZINC000302805478 861371278 /nfs/dbraw/zinc/37/12/78/861371278.db2.gz WSMVZNOSEPSSTI-AWEZNQCLSA-N 1 1 379.420 3.546 20 5 GHBDMO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000512205342 843091046 /nfs/dbraw/zinc/09/10/46/843091046.db2.gz YARUKISOVBGPEL-CQSZACIVSA-N 1 1 398.246 3.553 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3CN3CCOCC3)s2)cc1 ZINC000510629766 843091079 /nfs/dbraw/zinc/09/10/79/843091079.db2.gz AJPKHYYPAGLEIA-SFHVURJKSA-N 1 1 387.505 3.620 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302835190 861380643 /nfs/dbraw/zinc/38/06/43/861380643.db2.gz UVUNVRASBLWVNK-QUCCMNQESA-N 1 1 382.464 3.590 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000603919592 861401403 /nfs/dbraw/zinc/40/14/03/861401403.db2.gz QPLATPHDYRDLKD-HZPDHXFCSA-N 1 1 381.432 3.744 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(-c4ccccc4Cl)on3)CC2)n1 ZINC000419300397 843933801 /nfs/dbraw/zinc/93/38/01/843933801.db2.gz CGHGWBLVHQKOKO-UHFFFAOYSA-N 1 1 387.827 3.937 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)cc1OC ZINC000599675584 861473484 /nfs/dbraw/zinc/47/34/84/861473484.db2.gz SARQTVDAFKYERV-ARFHVFGLSA-N 1 1 380.485 3.621 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CO)C[C@H]2C)cc1OC ZINC000599675584 861473488 /nfs/dbraw/zinc/47/34/88/861473488.db2.gz SARQTVDAFKYERV-ARFHVFGLSA-N 1 1 380.485 3.621 20 5 GHBDMO CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429915621 843963872 /nfs/dbraw/zinc/96/38/72/843963872.db2.gz DKGYLUNVIPGXAI-UHFFFAOYSA-N 1 1 399.466 3.746 20 5 GHBDMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429915621 843963879 /nfs/dbraw/zinc/96/38/79/843963879.db2.gz DKGYLUNVIPGXAI-UHFFFAOYSA-N 1 1 399.466 3.746 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)C23CCCC3)cc1OC ZINC000433297420 843995190 /nfs/dbraw/zinc/99/51/90/843995190.db2.gz LFCKMOBNCHCGID-QRWLVFNGSA-N 1 1 392.496 3.908 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000610860650 844702780 /nfs/dbraw/zinc/70/27/80/844702780.db2.gz YWJFAUNKPBUSEZ-KRWDZBQOSA-N 1 1 397.500 3.960 20 5 GHBDMO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000538146391 844846592 /nfs/dbraw/zinc/84/65/92/844846592.db2.gz YFKTZVRDOPOIKI-LBPRGKRZSA-N 1 1 379.363 3.510 20 5 GHBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000473523281 844993526 /nfs/dbraw/zinc/99/35/26/844993526.db2.gz VDHBDTLFFDOOLN-UHFFFAOYSA-N 1 1 380.423 3.994 20 5 GHBDMO C[C@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000513174299 845010647 /nfs/dbraw/zinc/01/06/47/845010647.db2.gz RISJVAPXNHUAPT-RYUDHWBXSA-N 1 1 378.392 3.933 20 5 GHBDMO COC[C@@H](C)[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599683282 861522213 /nfs/dbraw/zinc/52/22/13/861522213.db2.gz QLDXEELFASYQQH-APWZRJJASA-N 1 1 397.475 3.866 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000513270321 845168316 /nfs/dbraw/zinc/16/83/16/845168316.db2.gz CPSLVVNHICPJRE-QAPCUYQASA-N 1 1 381.432 3.976 20 5 GHBDMO CN(C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000538175822 845293366 /nfs/dbraw/zinc/29/33/66/845293366.db2.gz GDHVLLQVRHBBNC-MRXNPFEDSA-N 1 1 381.354 3.841 20 5 GHBDMO Cc1cc(N2CCC[C@H](OC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)nc(C)[nH+]1 ZINC000731297718 861562125 /nfs/dbraw/zinc/56/21/25/861562125.db2.gz ZNXXEDHBOUNZRN-INIZCTEOSA-N 1 1 396.403 3.574 20 5 GHBDMO COc1cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000538715181 845596401 /nfs/dbraw/zinc/59/64/01/845596401.db2.gz NSUVESHBKRRYRA-QWRGUYRKSA-N 1 1 376.425 3.573 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000536425541 845786813 /nfs/dbraw/zinc/78/68/13/845786813.db2.gz DMLPXILHFCUKLI-FZKQIMNGSA-N 1 1 395.381 3.858 20 5 GHBDMO CCC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000539328125 846147160 /nfs/dbraw/zinc/14/71/60/846147160.db2.gz QOFYLFMMDYTUIK-GOSISDBHSA-N 1 1 389.402 3.893 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421506715 846314975 /nfs/dbraw/zinc/31/49/75/846314975.db2.gz KDRXMKHJWKJDCZ-MJGOQNOKSA-N 1 1 381.476 3.852 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000421562587 846337514 /nfs/dbraw/zinc/33/75/14/846337514.db2.gz SOAQRQDMMVMOSS-VQTJNVASSA-N 1 1 393.487 3.806 20 5 GHBDMO CC[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000582099377 846353338 /nfs/dbraw/zinc/35/33/38/846353338.db2.gz GBLLLNMGNCHDCV-OXJNMPFZSA-N 1 1 381.476 3.651 20 5 GHBDMO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(OC(F)F)cc1C ZINC000539836667 846438919 /nfs/dbraw/zinc/43/89/19/846438919.db2.gz WUHMPGXXMFBELX-OAHLLOKOSA-N 1 1 392.406 3.894 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000501093453 846634198 /nfs/dbraw/zinc/63/41/98/846634198.db2.gz JLSUWWMOZRSQKT-XHDPSFHLSA-N 1 1 399.289 3.551 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501130959 846658669 /nfs/dbraw/zinc/65/86/69/846658669.db2.gz WVNSHDISCKPRRQ-LBPRGKRZSA-N 1 1 399.289 3.553 20 5 GHBDMO C[N@H+](CCOc1ccc(Cl)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016632912 846790161 /nfs/dbraw/zinc/79/01/61/846790161.db2.gz RZYAOGPYHSLPLC-UHFFFAOYSA-N 1 1 388.811 3.809 20 5 GHBDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016632912 846790168 /nfs/dbraw/zinc/79/01/68/846790168.db2.gz RZYAOGPYHSLPLC-UHFFFAOYSA-N 1 1 388.811 3.809 20 5 GHBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000599832783 861762041 /nfs/dbraw/zinc/76/20/41/861762041.db2.gz JTFKSTIWWXFWSN-CABCVRRESA-N 1 1 397.479 3.918 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000511124743 847234047 /nfs/dbraw/zinc/23/40/47/847234047.db2.gz LVRCWRZQLDRHEQ-UHFFFAOYSA-N 1 1 395.381 3.688 20 5 GHBDMO C[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000582460805 847309332 /nfs/dbraw/zinc/30/93/32/847309332.db2.gz HQQQHTXTPGJFEB-UWJYYQICSA-N 1 1 381.476 3.821 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303678458 861834040 /nfs/dbraw/zinc/83/40/40/861834040.db2.gz YKDLFVGXZMMTJY-SQNIBIBYSA-N 1 1 388.512 3.508 20 5 GHBDMO CC[N@@H+](CCC1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1)CC1CC1 ZINC000611713897 848289494 /nfs/dbraw/zinc/28/94/94/848289494.db2.gz LEUVAXPTLADGQE-UHFFFAOYSA-N 1 1 383.496 3.876 20 5 GHBDMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000582797961 848406367 /nfs/dbraw/zinc/40/63/67/848406367.db2.gz VSWTWSJVEPLGHT-CYBMUJFWSA-N 1 1 393.390 3.698 20 5 GHBDMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000582797961 848406374 /nfs/dbraw/zinc/40/63/74/848406374.db2.gz VSWTWSJVEPLGHT-CYBMUJFWSA-N 1 1 393.390 3.698 20 5 GHBDMO O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000178815735 849313129 /nfs/dbraw/zinc/31/31/29/849313129.db2.gz OXDRNKWGTKMFCL-INIZCTEOSA-N 1 1 397.460 3.552 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132353514 862031276 /nfs/dbraw/zinc/03/12/76/862031276.db2.gz NGUSIWMTPVDMAS-FPOVZHCZSA-N 1 1 379.460 3.722 20 5 GHBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C2)C1 ZINC000505554702 849846410 /nfs/dbraw/zinc/84/64/10/849846410.db2.gz BWRXWQCFSQWWMA-QFIPXVFZSA-N 1 1 395.459 3.945 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000518782758 850091021 /nfs/dbraw/zinc/09/10/21/850091021.db2.gz KZHURXFQEVGRIW-JJRVBVJISA-N 1 1 377.510 3.509 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000227367171 862119020 /nfs/dbraw/zinc/11/90/20/862119020.db2.gz WVIHTYJNXDQXAV-CABCVRRESA-N 1 1 379.526 3.702 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)ccc1Oc1ccc(F)cc1 ZINC000425361950 850432378 /nfs/dbraw/zinc/43/23/78/850432378.db2.gz YWINQBQAEMRSFX-CQSZACIVSA-N 1 1 383.383 3.634 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000439884712 850544499 /nfs/dbraw/zinc/54/44/99/850544499.db2.gz WRBYZRNTUPFTBJ-OAHLLOKOSA-N 1 1 378.473 3.770 20 5 GHBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487757311 850893375 /nfs/dbraw/zinc/89/33/75/850893375.db2.gz ZBELOZKZJCPMMC-HNNXBMFYSA-N 1 1 385.489 3.912 20 5 GHBDMO COc1cccc(C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000604442773 862180900 /nfs/dbraw/zinc/18/09/00/862180900.db2.gz JIGCLFMNQIGGRS-OAQYLSRUSA-N 1 1 386.448 3.663 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435836218 850899272 /nfs/dbraw/zinc/89/92/72/850899272.db2.gz PYCVNMWNLMUGQZ-HNNXBMFYSA-N 1 1 395.478 3.815 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000061571005 862190693 /nfs/dbraw/zinc/19/06/93/862190693.db2.gz WWYGQHIAOPTCAN-UHFFFAOYSA-N 1 1 396.472 3.877 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436010020 851087488 /nfs/dbraw/zinc/08/74/88/851087488.db2.gz YSXLDXIFNOOIIY-CALCHBBNSA-N 1 1 391.515 3.779 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000604474729 862219550 /nfs/dbraw/zinc/21/95/50/862219550.db2.gz DXVRTOWXTYGBQI-KRWDZBQOSA-N 1 1 396.491 3.969 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436134148 851244681 /nfs/dbraw/zinc/24/46/81/851244681.db2.gz PHCFHSOTMLYDHB-BBWFWOEESA-N 1 1 391.515 3.778 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000162970002 862229117 /nfs/dbraw/zinc/22/91/17/862229117.db2.gz RIKKHCDNXJLZCZ-UHFFFAOYSA-N 1 1 398.463 3.652 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc(Br)o2)cccc1[N+](=O)[O-] ZINC000030217568 862229553 /nfs/dbraw/zinc/22/95/53/862229553.db2.gz KSQNHLFBTVMFKG-UHFFFAOYSA-N 1 1 396.241 3.719 20 5 GHBDMO CSc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000436234883 851372247 /nfs/dbraw/zinc/37/22/47/851372247.db2.gz ZBMNQAZWEDVYPA-HNNXBMFYSA-N 1 1 377.510 3.844 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436259269 851390848 /nfs/dbraw/zinc/39/08/48/851390848.db2.gz JDXDNGKINDQYKK-YHYVQYDKSA-N 1 1 381.476 3.549 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000058948994 851419781 /nfs/dbraw/zinc/41/97/81/851419781.db2.gz CJGWINXUOMSRDO-KRWDZBQOSA-N 1 1 397.475 3.522 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521521 862244403 /nfs/dbraw/zinc/24/44/03/862244403.db2.gz OKKAMUQELLAVTM-AVRDEDQJSA-N 1 1 397.475 3.941 20 5 GHBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436354082 851493850 /nfs/dbraw/zinc/49/38/50/851493850.db2.gz PETYFHVQYRJWJG-NSHDSACASA-N 1 1 386.399 3.953 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)C1 ZINC000132761693 862253055 /nfs/dbraw/zinc/25/30/55/862253055.db2.gz UUFVMUGDWGCGNT-OAHLLOKOSA-N 1 1 385.439 3.896 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@@]4(CC[N@H+](C)C4)C3)c([N+](=O)[O-])c2)cc1 ZINC000488719256 851723099 /nfs/dbraw/zinc/72/30/99/851723099.db2.gz NWUAWHHEYRHOCB-JOCHJYFZSA-N 1 1 394.475 3.688 20 5 GHBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000517556578 852095432 /nfs/dbraw/zinc/09/54/32/852095432.db2.gz UNJZJILRLXJZSJ-CYBMUJFWSA-N 1 1 389.839 3.817 20 5 GHBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000517556578 852095442 /nfs/dbraw/zinc/09/54/42/852095442.db2.gz UNJZJILRLXJZSJ-CYBMUJFWSA-N 1 1 389.839 3.817 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000489327652 852233051 /nfs/dbraw/zinc/23/30/51/852233051.db2.gz YRAVMPRYRQTAOK-SJORKVTESA-N 1 1 396.491 3.710 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489330142 852235965 /nfs/dbraw/zinc/23/59/65/852235965.db2.gz MZDNDGPDJOOLBU-FXAWDEMLSA-N 1 1 396.491 3.928 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000489352025 852238343 /nfs/dbraw/zinc/23/83/43/852238343.db2.gz BKUIUSCOAWDAQS-OAQYLSRUSA-N 1 1 396.491 3.619 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000150852568 852470572 /nfs/dbraw/zinc/47/05/72/852470572.db2.gz VJHGSHWFWRGUDI-ACJLOTCBSA-N 1 1 391.468 3.917 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000505934849 852620325 /nfs/dbraw/zinc/62/03/25/852620325.db2.gz FBJJKKFUYPXQCV-JKSUJKDBSA-N 1 1 384.480 3.803 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000507202070 852651622 /nfs/dbraw/zinc/65/16/22/852651622.db2.gz GIODVJHETHUWRX-HZPDHXFCSA-N 1 1 383.448 3.728 20 5 GHBDMO COC(=O)CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)C ZINC000509564952 852969417 /nfs/dbraw/zinc/96/94/17/852969417.db2.gz RAYQVYXOOBZGDM-UHFFFAOYSA-N 1 1 377.466 3.739 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437355476 853036382 /nfs/dbraw/zinc/03/63/82/853036382.db2.gz LEFOVNWAMCGCKQ-ZDUSSCGKSA-N 1 1 387.402 3.711 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000507628687 853124578 /nfs/dbraw/zinc/12/45/78/853124578.db2.gz GFSXAKMWJLEIHE-DOTOQJQBSA-N 1 1 385.489 3.639 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C2CC2)cc1 ZINC000490805447 853271671 /nfs/dbraw/zinc/27/16/71/853271671.db2.gz YDYWVVHIONZENR-GOSISDBHSA-N 1 1 376.840 3.653 20 5 GHBDMO C[C@H]1[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000490964654 853375749 /nfs/dbraw/zinc/37/57/49/853375749.db2.gz BVHNCRHRGUGZHE-LPHOPBHVSA-N 1 1 396.491 3.792 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000571611966 853960051 /nfs/dbraw/zinc/96/00/51/853960051.db2.gz GIVJOTXLSNOQRV-UWVAXJGDSA-N 1 1 381.476 3.868 20 5 GHBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 ZINC000045065038 854170106 /nfs/dbraw/zinc/17/01/06/854170106.db2.gz RZXWDSHBEMGFFN-CALCHBBNSA-N 1 1 377.488 3.617 20 5 GHBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1cc(N2C[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000156813882 854348970 /nfs/dbraw/zinc/34/89/70/854348970.db2.gz NINBMRAWXRJKFC-USTZCAOPSA-N 1 1 398.507 3.502 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000553278552 854943496 /nfs/dbraw/zinc/94/34/96/854943496.db2.gz XIWRKUQSUSYNGZ-OAHLLOKOSA-N 1 1 382.464 3.538 20 5 GHBDMO C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454762950 855150450 /nfs/dbraw/zinc/15/04/50/855150450.db2.gz GPCZSRIDZDFCML-SQGPQFPESA-N 1 1 396.491 3.866 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000027557461 855186204 /nfs/dbraw/zinc/18/62/04/855186204.db2.gz AEEXBNMKAZIEJY-ZDUSSCGKSA-N 1 1 375.400 3.764 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000027557461 855186207 /nfs/dbraw/zinc/18/62/07/855186207.db2.gz AEEXBNMKAZIEJY-ZDUSSCGKSA-N 1 1 375.400 3.764 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000590379481 855386118 /nfs/dbraw/zinc/38/61/18/855386118.db2.gz YMFMMHITWMAFCP-KRWDZBQOSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000590379481 855386124 /nfs/dbraw/zinc/38/61/24/855386124.db2.gz YMFMMHITWMAFCP-KRWDZBQOSA-N 1 1 390.823 3.688 20 5 GHBDMO C[C@H](c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1)[NH+]1CCOCC1 ZINC000542762621 855680320 /nfs/dbraw/zinc/68/03/20/855680320.db2.gz HAZISBXJZMJREI-CYBMUJFWSA-N 1 1 388.399 3.771 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000591026248 855746016 /nfs/dbraw/zinc/74/60/16/855746016.db2.gz ZPSJDYGGYVQOPR-NWDGAFQWSA-N 1 1 389.374 3.595 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000591026171 855746319 /nfs/dbraw/zinc/74/63/19/855746319.db2.gz CMETWPPPEMQZBR-RYUDHWBXSA-N 1 1 389.374 3.595 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000198102797 855900548 /nfs/dbraw/zinc/90/05/48/855900548.db2.gz MSEMDBUUWJWUHT-INIZCTEOSA-N 1 1 383.448 3.603 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139745 856689978 /nfs/dbraw/zinc/68/99/78/856689978.db2.gz QAYUNUJKKVLBSS-NRFANRHFSA-N 1 1 397.475 3.505 20 5 GHBDMO Cc1ccc(C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC2CC2)cn1 ZINC000592146371 856702513 /nfs/dbraw/zinc/70/25/13/856702513.db2.gz NFKQXQRCEYAIEU-UHFFFAOYSA-N 1 1 396.447 3.508 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173104715 856740688 /nfs/dbraw/zinc/74/06/88/856740688.db2.gz OAUKVDNSWFNHKV-QGZVFWFLSA-N 1 1 381.476 3.686 20 5 GHBDMO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000173312394 856849561 /nfs/dbraw/zinc/84/95/61/856849561.db2.gz OBUSMKFYDJRACF-ZDUSSCGKSA-N 1 1 395.381 3.864 20 5 GHBDMO Cc1ccc(C[C@@H]2CCC[N@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000733300249 862845519 /nfs/dbraw/zinc/84/55/19/862845519.db2.gz LIEWHTJQAIIMAW-IBGZPJMESA-N 1 1 377.448 3.826 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(Br)cs3)C2)nc1 ZINC000173466928 856945961 /nfs/dbraw/zinc/94/59/61/856945961.db2.gz DBXNVSVDEMFKRG-NSHDSACASA-N 1 1 383.271 3.500 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(Br)cs3)C2)nc1 ZINC000173466928 856945968 /nfs/dbraw/zinc/94/59/68/856945968.db2.gz DBXNVSVDEMFKRG-NSHDSACASA-N 1 1 383.271 3.500 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000173692625 857091675 /nfs/dbraw/zinc/09/16/75/857091675.db2.gz RMSNHFORCNQPFH-INIZCTEOSA-N 1 1 385.464 3.803 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000574056997 857232775 /nfs/dbraw/zinc/23/27/75/857232775.db2.gz DYQWLRNIYYFOTQ-HNNXBMFYSA-N 1 1 378.432 3.645 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000574056997 857232784 /nfs/dbraw/zinc/23/27/84/857232784.db2.gz DYQWLRNIYYFOTQ-HNNXBMFYSA-N 1 1 378.432 3.645 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000485941608 857233547 /nfs/dbraw/zinc/23/35/47/857233547.db2.gz BKIGQESLTWYBSN-AWEZNQCLSA-N 1 1 383.473 3.713 20 5 GHBDMO COc1cc(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cc([N+](=O)[O-])c1C ZINC001128250669 857391936 /nfs/dbraw/zinc/39/19/36/857391936.db2.gz YICNARJZPBAZKF-IBGZPJMESA-N 1 1 399.491 3.798 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001128251045 857392774 /nfs/dbraw/zinc/39/27/74/857392774.db2.gz IZHIPXZMNNUVLF-KVDXNUTJSA-N 1 1 381.476 3.881 20 5 GHBDMO CCc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301724692 857416594 /nfs/dbraw/zinc/41/65/94/857416594.db2.gz PABPIVWFSQWPDA-APWZRJJASA-N 1 1 381.480 3.535 20 5 GHBDMO CCc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301724694 857426731 /nfs/dbraw/zinc/42/67/31/857426731.db2.gz PABPIVWFSQWPDA-QFBILLFUSA-N 1 1 381.480 3.535 20 5 GHBDMO CCCCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000175087371 857436602 /nfs/dbraw/zinc/43/66/02/857436602.db2.gz HWHFVBHBKJROAR-UHFFFAOYSA-N 1 1 377.485 3.512 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000246722082 857442822 /nfs/dbraw/zinc/44/28/22/857442822.db2.gz AEPROSWMSIMELV-RBBKRZOGSA-N 1 1 395.459 3.695 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000246722082 857442831 /nfs/dbraw/zinc/44/28/31/857442831.db2.gz AEPROSWMSIMELV-RBBKRZOGSA-N 1 1 395.459 3.695 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c(Cl)c1 ZINC000301737881 857477607 /nfs/dbraw/zinc/47/76/07/857477607.db2.gz VYRIKIGEBCEZRH-BEFAXECRSA-N 1 1 375.856 3.543 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000486317507 857650352 /nfs/dbraw/zinc/65/03/52/857650352.db2.gz HDYOCKOUVKTRJD-HKUYNNGSSA-N 1 1 381.476 3.934 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCCO)[C@H]3CCc4ccccc43)n2)c1 ZINC000114193596 857935802 /nfs/dbraw/zinc/93/58/02/857935802.db2.gz CLLDJVHSIGULHC-IBGZPJMESA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCCO)[C@H]3CCc4ccccc43)n2)c1 ZINC000114193596 857935808 /nfs/dbraw/zinc/93/58/08/857935808.db2.gz CLLDJVHSIGULHC-IBGZPJMESA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCO)[C@H]3CCc4ccccc43)o2)c1 ZINC000114466946 858049517 /nfs/dbraw/zinc/04/95/17/858049517.db2.gz CFDOUKHAHKCNLE-FQEVSTJZSA-N 1 1 393.443 3.774 20 5 GHBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000442884739 858206266 /nfs/dbraw/zinc/20/62/66/858206266.db2.gz UAEIKOBCZVSMPQ-CABCVRRESA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000442884739 858206273 /nfs/dbraw/zinc/20/62/73/858206273.db2.gz UAEIKOBCZVSMPQ-CABCVRRESA-N 1 1 385.489 3.911 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000159773419 862998715 /nfs/dbraw/zinc/99/87/15/862998715.db2.gz LZRWXSDNKXLDCB-UHFFFAOYSA-N 1 1 383.433 3.848 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000301859115 858320222 /nfs/dbraw/zinc/32/02/22/858320222.db2.gz CXKGJIQNAYHAAM-HOTGVXAUSA-N 1 1 395.381 3.661 20 5 GHBDMO CC(C)(C)Oc1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000301882490 858497464 /nfs/dbraw/zinc/49/74/64/858497464.db2.gz MXIHLWMWAQRSMB-UHFFFAOYSA-N 1 1 385.464 3.800 20 5 GHBDMO Cc1cc(N2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c([N+](=O)[O-])s1 ZINC000856535400 881345745 /nfs/dbraw/zinc/34/57/45/881345745.db2.gz XVVKKIAPOGRKBK-KRWDZBQOSA-N 1 1 390.509 3.858 20 5 GHBDMO Cn1nccc1[C@@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281437123 863036481 /nfs/dbraw/zinc/03/64/81/863036481.db2.gz PPNCUIISZIMLIQ-SFHVURJKSA-N 1 1 381.436 3.753 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000184909188 858630601 /nfs/dbraw/zinc/63/06/01/858630601.db2.gz IAVHLXZSFMBIAK-DUXKGJEZSA-N 1 1 381.476 3.725 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1c[nH]c2ccccc12 ZINC000190475352 858656987 /nfs/dbraw/zinc/65/69/87/858656987.db2.gz SXNITMFSUKBCEY-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1c[nH]c2ccccc12 ZINC000190475352 858656988 /nfs/dbraw/zinc/65/69/88/858656988.db2.gz SXNITMFSUKBCEY-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595756558 858676680 /nfs/dbraw/zinc/67/66/80/858676680.db2.gz GWTUNHFSSFGDDO-XJABCFGWSA-N 1 1 395.459 3.551 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595756558 858676683 /nfs/dbraw/zinc/67/66/83/858676683.db2.gz GWTUNHFSSFGDDO-XJABCFGWSA-N 1 1 395.459 3.551 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000595785400 858686039 /nfs/dbraw/zinc/68/60/39/858686039.db2.gz FESMTFWGJPKRGL-DNVCBOLYSA-N 1 1 375.469 3.511 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595791054 858689557 /nfs/dbraw/zinc/68/95/57/858689557.db2.gz TXQFLPXGNFABNF-HBUWYVDXSA-N 1 1 395.887 3.856 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595791054 858689563 /nfs/dbraw/zinc/68/95/63/858689563.db2.gz TXQFLPXGNFABNF-HBUWYVDXSA-N 1 1 395.887 3.856 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595829803 858702468 /nfs/dbraw/zinc/70/24/68/858702468.db2.gz YXDOCFZISPTKIZ-KXBFYZLASA-N 1 1 393.447 3.917 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)F)ccc1NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000596097048 858764145 /nfs/dbraw/zinc/76/41/45/858764145.db2.gz DHTKOPPTELQXMX-UHFFFAOYSA-N 1 1 391.422 3.552 20 5 GHBDMO COC(=O)c1c(Cl)c(N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000596060485 858767012 /nfs/dbraw/zinc/76/70/12/858767012.db2.gz AHLTXKVCJJOPGN-INIZCTEOSA-N 1 1 389.839 3.528 20 5 GHBDMO COC(=O)c1c(Cl)c(N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000596060485 858767015 /nfs/dbraw/zinc/76/70/15/858767015.db2.gz AHLTXKVCJJOPGN-INIZCTEOSA-N 1 1 389.839 3.528 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)F)ccc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000596189875 858803151 /nfs/dbraw/zinc/80/31/51/858803151.db2.gz MMVKEQHZCYJIGK-MRXNPFEDSA-N 1 1 377.391 3.711 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)ccn1 ZINC000856535719 881346486 /nfs/dbraw/zinc/34/64/86/881346486.db2.gz GFXNECHKVSOBIU-GOSISDBHSA-N 1 1 388.443 3.627 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)ccn1 ZINC000856535721 881346726 /nfs/dbraw/zinc/34/67/26/881346726.db2.gz GFXNECHKVSOBIU-SFHVURJKSA-N 1 1 388.443 3.627 20 5 GHBDMO COc1ccc(C[C@H](C)[NH2+]C2(c3ccccc3Cl)COC2)c([N+](=O)[O-])c1 ZINC001170318691 881350414 /nfs/dbraw/zinc/35/04/14/881350414.db2.gz RRYXTYHXQNQSOY-ZDUSSCGKSA-N 1 1 376.840 3.703 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429292082 858949290 /nfs/dbraw/zinc/94/92/90/858949290.db2.gz HWUIAWATCMEIJR-LBPRGKRZSA-N 1 1 390.452 3.822 20 5 GHBDMO O=C(C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000483119544 859148164 /nfs/dbraw/zinc/14/81/64/859148164.db2.gz JDEBABNHSOYTQK-CYBMUJFWSA-N 1 1 377.803 3.815 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000483119544 859148167 /nfs/dbraw/zinc/14/81/67/859148167.db2.gz JDEBABNHSOYTQK-CYBMUJFWSA-N 1 1 377.803 3.815 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170355425 881402459 /nfs/dbraw/zinc/40/24/59/881402459.db2.gz FATYFHIDBPMWGP-MRXNPFEDSA-N 1 1 387.455 3.886 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000069084968 859332329 /nfs/dbraw/zinc/33/23/29/859332329.db2.gz UALPOYVQZQFTFH-QGZVFWFLSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000069084968 859332340 /nfs/dbraw/zinc/33/23/40/859332340.db2.gz UALPOYVQZQFTFH-QGZVFWFLSA-N 1 1 380.404 3.991 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCOCCO)C3CCC3)s2)cc1 ZINC000597206144 859345673 /nfs/dbraw/zinc/34/56/73/859345673.db2.gz LZBYGIVFRHDOKK-UHFFFAOYSA-N 1 1 376.478 3.687 20 5 GHBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597224600 859374898 /nfs/dbraw/zinc/37/48/98/859374898.db2.gz MCMYUDUFACGJOX-CQSZACIVSA-N 1 1 388.493 3.511 20 5 GHBDMO C[N@@H+]1CCc2[nH]c3ccc(C(=O)NC(C)(C)c4ccc([N+](=O)[O-])cc4)cc3c2C1 ZINC000597359976 859483131 /nfs/dbraw/zinc/48/31/31/859483131.db2.gz GMIFODCAXDEQDK-UHFFFAOYSA-N 1 1 392.459 3.729 20 5 GHBDMO C[N@H+]1CCc2[nH]c3ccc(C(=O)NC(C)(C)c4ccc([N+](=O)[O-])cc4)cc3c2C1 ZINC000597359976 859483140 /nfs/dbraw/zinc/48/31/40/859483140.db2.gz GMIFODCAXDEQDK-UHFFFAOYSA-N 1 1 392.459 3.729 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000301984160 859649659 /nfs/dbraw/zinc/64/96/59/859649659.db2.gz BZIHROUYSSDRPA-GFCCVEGCSA-N 1 1 379.258 3.685 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000611222750 859656258 /nfs/dbraw/zinc/65/62/58/859656258.db2.gz IACFAJMOCJLUQX-XHSDSOJGSA-N 1 1 382.464 3.620 20 5 GHBDMO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185184519 859672003 /nfs/dbraw/zinc/67/20/03/859672003.db2.gz TWLCAGBOGSVPBG-FUHWJXTLSA-N 1 1 399.466 3.518 20 5 GHBDMO Cc1cccc(NC2CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)c1 ZINC000611273723 859676683 /nfs/dbraw/zinc/67/66/83/859676683.db2.gz CERLGWHRSVMWLW-UHFFFAOYSA-N 1 1 383.448 3.751 20 5 GHBDMO CC(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCCO2 ZINC000611376703 859734272 /nfs/dbraw/zinc/73/42/72/859734272.db2.gz ITUXHMWREDEFCS-FQEVSTJZSA-N 1 1 383.404 3.994 20 5 GHBDMO Cc1c(Br)c(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000543449099 859753572 /nfs/dbraw/zinc/75/35/72/859753572.db2.gz BALRHLVUNCNNPT-SCRDCRAPSA-N 1 1 397.317 3.902 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000597710408 859756651 /nfs/dbraw/zinc/75/66/51/859756651.db2.gz LZCCHIJWVDRKAQ-LJQANCHMSA-N 1 1 377.510 3.653 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1c1ccc(C(F)(F)F)cc1 ZINC000611498052 859785636 /nfs/dbraw/zinc/78/56/36/859785636.db2.gz QNJSGWVLDVWNFV-INIZCTEOSA-N 1 1 397.328 3.648 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611518491 859797126 /nfs/dbraw/zinc/79/71/26/859797126.db2.gz GKUYPBMRABYQCX-LBPRGKRZSA-N 1 1 382.363 3.830 20 5 GHBDMO C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611517947 859797152 /nfs/dbraw/zinc/79/71/52/859797152.db2.gz BFRMPAUKMFHEGA-RDJZCZTQSA-N 1 1 380.448 3.736 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170346535 881469272 /nfs/dbraw/zinc/46/92/72/881469272.db2.gz OATBQNQWVKEDPM-HOCLYGCPSA-N 1 1 393.484 3.524 20 5 GHBDMO COc1ccc(C[C@@H](C)[NH+]2CCN(c3ccc(F)cc3F)CC2)c([N+](=O)[O-])c1 ZINC001170346647 881469471 /nfs/dbraw/zinc/46/94/71/881469471.db2.gz PAWQRJYEMXLIIN-CQSZACIVSA-N 1 1 391.418 3.635 20 5 GHBDMO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160859 859854582 /nfs/dbraw/zinc/85/45/82/859854582.db2.gz MQFIUKCNSKKSNX-BAGYTPMASA-N 1 1 383.492 3.519 20 5 GHBDMO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160859 859854587 /nfs/dbraw/zinc/85/45/87/859854587.db2.gz MQFIUKCNSKKSNX-BAGYTPMASA-N 1 1 383.492 3.519 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000597921466 859928623 /nfs/dbraw/zinc/92/86/23/859928623.db2.gz FRCUFQKBZBEVRU-QGZVFWFLSA-N 1 1 397.475 3.776 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000154490314 860139278 /nfs/dbraw/zinc/13/92/78/860139278.db2.gz QZMDJUSHULBXTP-UHFFFAOYSA-N 1 1 394.475 3.775 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3ccc(COC4CCOCC4)cc3)nc2c1 ZINC000602583641 860147032 /nfs/dbraw/zinc/14/70/32/860147032.db2.gz SIFAAVQXWNWWFW-UHFFFAOYSA-N 1 1 397.431 3.721 20 5 GHBDMO CSc1ccc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025459651 860177116 /nfs/dbraw/zinc/17/71/16/860177116.db2.gz PSWJDTJCEVDCCD-UHFFFAOYSA-N 1 1 399.516 3.883 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000602660464 860196637 /nfs/dbraw/zinc/19/66/37/860196637.db2.gz DBIDDAHEBYUBBU-ZYHUDNBSSA-N 1 1 386.292 3.606 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000602660464 860196642 /nfs/dbraw/zinc/19/66/42/860196642.db2.gz DBIDDAHEBYUBBU-ZYHUDNBSSA-N 1 1 386.292 3.606 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542659922 860197263 /nfs/dbraw/zinc/19/72/63/860197263.db2.gz SVKAKIOTMPLRJP-OAHLLOKOSA-N 1 1 391.537 3.949 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1Br ZINC000602669340 860200527 /nfs/dbraw/zinc/20/05/27/860200527.db2.gz IQVDMUBLFCAKQO-UHFFFAOYSA-N 1 1 397.298 3.704 20 5 GHBDMO C[N@@H+](CCCO)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000093394741 860262571 /nfs/dbraw/zinc/26/25/71/860262571.db2.gz YDQNMSUVDGFBBJ-UHFFFAOYSA-N 1 1 389.521 3.602 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598395086 860277298 /nfs/dbraw/zinc/27/72/98/860277298.db2.gz BKRHYVPGVQSYRR-HXUWFJFHSA-N 1 1 393.487 3.556 20 5 GHBDMO COc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000728052115 860370615 /nfs/dbraw/zinc/37/06/15/860370615.db2.gz DAUCYUUKNXYZSW-UHFFFAOYSA-N 1 1 395.381 3.944 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(Cc4nccs4)CC3)o2)cc1 ZINC000602955834 860380355 /nfs/dbraw/zinc/38/03/55/860380355.db2.gz LMWSEJBJDDYEBD-UHFFFAOYSA-N 1 1 385.449 3.556 20 5 GHBDMO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000155113083 860405293 /nfs/dbraw/zinc/40/52/93/860405293.db2.gz XTNRWAYBBAKDAX-AWEZNQCLSA-N 1 1 391.493 3.522 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552277519 860415159 /nfs/dbraw/zinc/41/51/59/860415159.db2.gz WZEDMZKGJAKOQB-WOJBJXKFSA-N 1 1 385.512 3.518 20 5 GHBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301308042 860446885 /nfs/dbraw/zinc/44/68/85/860446885.db2.gz WGVDCNUWJZQCCM-CYBMUJFWSA-N 1 1 391.269 3.636 20 5 GHBDMO C[C@@H]1C[C@H](N(C)c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000301359884 860461604 /nfs/dbraw/zinc/46/16/04/860461604.db2.gz LWHOIKYSOFCTQP-GDBMZVCRSA-N 1 1 385.493 3.793 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301426652 860567972 /nfs/dbraw/zinc/56/79/72/860567972.db2.gz PCQQFQJAXJHQBD-DGCLKSJQSA-N 1 1 377.495 3.861 20 5 GHBDMO O=[N+]([O-])c1c(NCc2cccc(C[NH+]3CCOCC3)c2)ccc2cnccc21 ZINC000599026307 860734030 /nfs/dbraw/zinc/73/40/30/860734030.db2.gz TYRSKCVXYPSNDY-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO O=[N+]([O-])c1c(NCc2ccc(C[NH+]3CCOCC3)cc2)ccc2cnccc21 ZINC000599019111 860742581 /nfs/dbraw/zinc/74/25/81/860742581.db2.gz CRHBEMDKHXJHKP-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000474779502 860763812 /nfs/dbraw/zinc/76/38/12/860763812.db2.gz JAGYRNGQHTUEIN-SWLSCSKDSA-N 1 1 391.269 4.000 20 5 GHBDMO COc1ncc(Br)cc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599071258 860777220 /nfs/dbraw/zinc/77/72/20/860777220.db2.gz QYORGDPLIVFYBK-INIZCTEOSA-N 1 1 392.253 3.928 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444032260 863177478 /nfs/dbraw/zinc/17/74/78/863177478.db2.gz OVDYRGLVAYLELK-HNNXBMFYSA-N 1 1 395.478 3.815 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444236306 863731532 /nfs/dbraw/zinc/73/15/32/863731532.db2.gz HDXCUNAYYZJDKX-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444236306 863731543 /nfs/dbraw/zinc/73/15/43/863731543.db2.gz HDXCUNAYYZJDKX-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000475128500 864267034 /nfs/dbraw/zinc/26/70/34/864267034.db2.gz IKROHYRQUJPGMP-OXJNMPFZSA-N 1 1 382.464 3.572 20 5 GHBDMO CSc1cccc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000186113633 864312987 /nfs/dbraw/zinc/31/29/87/864312987.db2.gz DNDPQIKMLJDXKB-UHFFFAOYSA-N 1 1 399.516 3.883 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000735220748 864689264 /nfs/dbraw/zinc/68/92/64/864689264.db2.gz DRMMOLJCVWFVNA-IBGZPJMESA-N 1 1 395.459 3.626 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1[N+](=O)[O-] ZINC000532331126 881808049 /nfs/dbraw/zinc/80/80/49/881808049.db2.gz UKDVJHKOJZVNNJ-QGZVFWFLSA-N 1 1 377.448 3.733 20 5 GHBDMO C[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3Cl)cc2Cl)CC1 ZINC000736287615 865176853 /nfs/dbraw/zinc/17/68/53/865176853.db2.gz UKBZCCMHCNNKGI-UHFFFAOYSA-N 1 1 382.251 3.792 20 5 GHBDMO C[C@@H](CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000737426828 865391654 /nfs/dbraw/zinc/39/16/54/865391654.db2.gz FBDGYLWVYRVSJF-JTQLQIEISA-N 1 1 381.782 3.647 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000248735938 865558812 /nfs/dbraw/zinc/55/88/12/865558812.db2.gz DPRZQDUEAGCTSZ-MJGOQNOKSA-N 1 1 375.513 3.792 20 5 GHBDMO O=[N+]([O-])c1cnccc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000608972588 865866924 /nfs/dbraw/zinc/86/69/24/865866924.db2.gz YYAIUMAOULHJSU-UHFFFAOYSA-N 1 1 380.370 3.721 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740882841 866071130 /nfs/dbraw/zinc/07/11/30/866071130.db2.gz LLYKJFDDSYYZOI-FSPWUOQZSA-N 1 1 395.887 3.712 20 5 GHBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000185424937 866090639 /nfs/dbraw/zinc/09/06/39/866090639.db2.gz UROFRIMVVLBBRK-INIZCTEOSA-N 1 1 391.537 3.949 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC[N@H+]2C)cc1 ZINC000741122018 866246065 /nfs/dbraw/zinc/24/60/65/866246065.db2.gz YZZZUGINZSGAMK-HLEWZNAESA-N 1 1 396.443 3.853 20 5 GHBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000534266075 866432096 /nfs/dbraw/zinc/43/20/96/866432096.db2.gz PJFHTSBOWCUDEM-UHFFFAOYSA-N 1 1 376.482 3.668 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186688720 866619342 /nfs/dbraw/zinc/61/93/42/866619342.db2.gz WARHCOZMZFAHHT-SPLOXXLWSA-N 1 1 392.415 3.837 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186688720 866619345 /nfs/dbraw/zinc/61/93/45/866619345.db2.gz WARHCOZMZFAHHT-SPLOXXLWSA-N 1 1 392.415 3.837 20 5 GHBDMO Cn1cc(C[N@@H+](C)CCOc2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121468636 866823267 /nfs/dbraw/zinc/82/32/67/866823267.db2.gz JVUPFJFDLZFZKD-UHFFFAOYSA-N 1 1 384.411 3.645 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000183577666 866885525 /nfs/dbraw/zinc/88/55/25/866885525.db2.gz SRSJHSHCNRCVAS-HNNXBMFYSA-N 1 1 383.452 3.686 20 5 GHBDMO C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440487629 866961061 /nfs/dbraw/zinc/96/10/61/866961061.db2.gz LKLHDTWJSDACEI-CHWSQXEVSA-N 1 1 391.269 4.000 20 5 GHBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000553258599 867027763 /nfs/dbraw/zinc/02/77/63/867027763.db2.gz XZQDOTNGJUAAPA-UHFFFAOYSA-N 1 1 392.390 3.944 20 5 GHBDMO C[C@@H]1C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1c1ccccc1 ZINC000742163304 867087540 /nfs/dbraw/zinc/08/75/40/867087540.db2.gz BLBOVEVQSAVOIV-OXQOHEQNSA-N 1 1 377.448 3.936 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cc(Cl)ccc2F)c([N+](=O)[O-])c1 ZINC000444704065 867089651 /nfs/dbraw/zinc/08/96/51/867089651.db2.gz UEINTKIJDPKMDJ-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742149323 867102774 /nfs/dbraw/zinc/10/27/74/867102774.db2.gz KGUAUFIFRDBDRG-LJQANCHMSA-N 1 1 377.448 3.826 20 5 GHBDMO O=[N+]([O-])c1cn(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)nc1-c1ccncc1 ZINC000742148146 867103570 /nfs/dbraw/zinc/10/35/70/867103570.db2.gz QBZJYPRCBXLZCG-UHFFFAOYSA-N 1 1 395.438 3.905 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000444860751 867348013 /nfs/dbraw/zinc/34/80/13/867348013.db2.gz QOWUCDNYPWQVPQ-CALCHBBNSA-N 1 1 391.515 3.779 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444902419 867426793 /nfs/dbraw/zinc/42/67/93/867426793.db2.gz MCYUZUPIPUOEFM-WBVHZDCISA-N 1 1 398.463 3.636 20 5 GHBDMO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440605321 867501467 /nfs/dbraw/zinc/50/14/67/867501467.db2.gz ZOIZSHGUKWVFET-LBPRGKRZSA-N 1 1 394.522 3.730 20 5 GHBDMO CSCC[C@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440605321 867501486 /nfs/dbraw/zinc/50/14/86/867501486.db2.gz ZOIZSHGUKWVFET-LBPRGKRZSA-N 1 1 394.522 3.730 20 5 GHBDMO CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183759455 867695542 /nfs/dbraw/zinc/69/55/42/867695542.db2.gz FDTQUCSYABMACO-FQEVSTJZSA-N 1 1 397.475 3.558 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000744393978 868788315 /nfs/dbraw/zinc/78/83/15/868788315.db2.gz WHCQMAYYMPLAJS-NQIIRXRSSA-N 1 1 386.448 3.570 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000535467468 868807562 /nfs/dbraw/zinc/80/75/62/868807562.db2.gz DPCAHUNOUWHPBE-SJORKVTESA-N 1 1 393.365 3.789 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000445949345 869211103 /nfs/dbraw/zinc/21/11/03/869211103.db2.gz LWPDSZUXGOUHKA-LAUBAEHRSA-N 1 1 381.476 3.554 20 5 GHBDMO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000445951813 869216108 /nfs/dbraw/zinc/21/61/08/869216108.db2.gz FNQUZPMLEOQAKD-OAQYLSRUSA-N 1 1 381.476 3.650 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462414442 869396187 /nfs/dbraw/zinc/39/61/87/869396187.db2.gz LZUFOXUJQZDMEE-VQTJNVASSA-N 1 1 381.476 3.554 20 5 GHBDMO C[N@H+](CCCOc1ccccc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000029852085 869566805 /nfs/dbraw/zinc/56/68/05/869566805.db2.gz IRUGZOZTGWIXLD-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO C[N@@H+](CCCOc1ccccc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000029852085 869566809 /nfs/dbraw/zinc/56/68/09/869566809.db2.gz IRUGZOZTGWIXLD-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO CC[C@@H]1C[C@H](C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000793609347 882326939 /nfs/dbraw/zinc/32/69/39/882326939.db2.gz AOLJSYXRVFSRFI-CHWSQXEVSA-N 1 1 383.286 3.921 20 5 GHBDMO CC[C@@H]1C[C@H](C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000793609347 882326958 /nfs/dbraw/zinc/32/69/58/882326958.db2.gz AOLJSYXRVFSRFI-CHWSQXEVSA-N 1 1 383.286 3.921 20 5 GHBDMO CC[C@@H]1C[C@@H](C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000793609354 882327041 /nfs/dbraw/zinc/32/70/41/882327041.db2.gz AOLJSYXRVFSRFI-QWHCGFSZSA-N 1 1 383.286 3.921 20 5 GHBDMO CC[C@@H]1C[C@@H](C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000793609354 882327046 /nfs/dbraw/zinc/32/70/46/882327046.db2.gz AOLJSYXRVFSRFI-QWHCGFSZSA-N 1 1 383.286 3.921 20 5 GHBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000462701252 869928065 /nfs/dbraw/zinc/92/80/65/869928065.db2.gz JUNXQUSICAHMEV-ZDUSSCGKSA-N 1 1 385.449 3.590 20 5 GHBDMO COCC[N@@H+](Cc1ccc(C)cc1C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000746051730 869973481 /nfs/dbraw/zinc/97/34/81/869973481.db2.gz QJWGLNUHOYCWMH-UHFFFAOYSA-N 1 1 395.463 3.576 20 5 GHBDMO COCC[N@H+](Cc1ccc(C)cc1C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000746051730 869973490 /nfs/dbraw/zinc/97/34/90/869973490.db2.gz QJWGLNUHOYCWMH-UHFFFAOYSA-N 1 1 395.463 3.576 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000462871860 870264071 /nfs/dbraw/zinc/26/40/71/870264071.db2.gz INVSMBQABPJSJC-LPHOPBHVSA-N 1 1 381.476 3.992 20 5 GHBDMO COc1cc(CNCC[N@@H+]2CC[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525288195 870292318 /nfs/dbraw/zinc/29/23/18/870292318.db2.gz ZWLPFXPZDFUTAN-KRWDZBQOSA-N 1 1 399.491 3.614 20 5 GHBDMO COc1cc(CNCC[N@H+]2CC[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525288195 870292338 /nfs/dbraw/zinc/29/23/38/870292338.db2.gz ZWLPFXPZDFUTAN-KRWDZBQOSA-N 1 1 399.491 3.614 20 5 GHBDMO CNc1c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000462983252 870590223 /nfs/dbraw/zinc/59/02/23/870590223.db2.gz ZVSMFYMSEJJWJF-WMZOPIPTSA-N 1 1 396.491 3.762 20 5 GHBDMO C[C@@H]1[C@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC001192672229 870590944 /nfs/dbraw/zinc/59/09/44/870590944.db2.gz FORSTKPFFWYRMD-JKSUJKDBSA-N 1 1 393.484 3.693 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC001192672229 870590953 /nfs/dbraw/zinc/59/09/53/870590953.db2.gz FORSTKPFFWYRMD-JKSUJKDBSA-N 1 1 393.484 3.693 20 5 GHBDMO COc1ccc(-c2ccc(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797457 870626923 /nfs/dbraw/zinc/62/69/23/870626923.db2.gz ITPIEJBNJWEOPC-BEFAXECRSA-N 1 1 385.464 3.780 20 5 GHBDMO CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000525408859 870644170 /nfs/dbraw/zinc/64/41/70/870644170.db2.gz PYDKBALMZVKGMQ-NXHRZFHOSA-N 1 1 386.452 3.670 20 5 GHBDMO CC(C)C(=O)NCC[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538802401 870694104 /nfs/dbraw/zinc/69/41/04/870694104.db2.gz VLCYTYIBXPURPF-UHFFFAOYSA-N 1 1 384.480 3.567 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001169038385 871117174 /nfs/dbraw/zinc/11/71/74/871117174.db2.gz YJVQAKITZFHCRB-QXAKKESOSA-N 1 1 389.496 3.726 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1c1ccccc1 ZINC001169050039 871132022 /nfs/dbraw/zinc/13/20/22/871132022.db2.gz YJVQAKITZFHCRB-NEWSRXKRSA-N 1 1 389.496 3.726 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000766594943 871248877 /nfs/dbraw/zinc/24/88/77/871248877.db2.gz PEUXZTABOHZELD-ZIAGYGMSSA-N 1 1 389.402 3.608 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000766594943 871248893 /nfs/dbraw/zinc/24/88/93/871248893.db2.gz PEUXZTABOHZELD-ZIAGYGMSSA-N 1 1 389.402 3.608 20 5 GHBDMO CC(C)[C@@H](CNC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001193742933 871260055 /nfs/dbraw/zinc/26/00/55/871260055.db2.gz GAQXGRQXLCAHNY-OAQYLSRUSA-N 1 1 383.492 3.625 20 5 GHBDMO CC(C)[C@@H](CNC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001193742933 871260067 /nfs/dbraw/zinc/26/00/67/871260067.db2.gz GAQXGRQXLCAHNY-OAQYLSRUSA-N 1 1 383.492 3.625 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181828895 871525865 /nfs/dbraw/zinc/52/58/65/871525865.db2.gz PFRGBXHQXLGUIR-IBGZPJMESA-N 1 1 399.447 3.514 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000121349142 871537392 /nfs/dbraw/zinc/53/73/92/871537392.db2.gz AJUILKIDZZNBOW-WBVHZDCISA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000121349142 871537396 /nfs/dbraw/zinc/53/73/96/871537396.db2.gz AJUILKIDZZNBOW-WBVHZDCISA-N 1 1 377.803 3.563 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCCN2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC001194203616 871553870 /nfs/dbraw/zinc/55/38/70/871553870.db2.gz HZNNVOHQOGAQKM-UHFFFAOYSA-N 1 1 392.459 3.734 20 5 GHBDMO Cn1ccnc1[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552034178 871641999 /nfs/dbraw/zinc/64/19/99/871641999.db2.gz INSVOVPDUHQCBQ-NRFANRHFSA-N 1 1 393.491 3.529 20 5 GHBDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001169674922 871779200 /nfs/dbraw/zinc/77/92/00/871779200.db2.gz GAFNEAOGMJKPQB-MRXNPFEDSA-N 1 1 387.455 3.839 20 5 GHBDMO CCOc1ccccc1C[N@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001169674922 871779214 /nfs/dbraw/zinc/77/92/14/871779214.db2.gz GAFNEAOGMJKPQB-MRXNPFEDSA-N 1 1 387.455 3.839 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1OC ZINC001194747168 871905838 /nfs/dbraw/zinc/90/58/38/871905838.db2.gz ZOTUECHXQTWHGR-HRCADAONSA-N 1 1 379.501 3.553 20 5 GHBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000767541612 872627399 /nfs/dbraw/zinc/62/73/99/872627399.db2.gz GYQVTQSOGQMFNC-UHFFFAOYSA-N 1 1 394.431 3.959 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448026012 872686128 /nfs/dbraw/zinc/68/61/28/872686128.db2.gz GQQWGHKRKDNSFM-KXBFYZLASA-N 1 1 382.464 3.825 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448026012 872686149 /nfs/dbraw/zinc/68/61/49/872686149.db2.gz GQQWGHKRKDNSFM-KXBFYZLASA-N 1 1 382.464 3.825 20 5 GHBDMO Cc1c(C[NH2+][C@H](CCO)c2ccccc2Br)cccc1[N+](=O)[O-] ZINC000541019220 872768201 /nfs/dbraw/zinc/76/82/01/872768201.db2.gz CJDFUIYDXPLLNG-MRXNPFEDSA-N 1 1 379.254 3.879 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001127247730 873026355 /nfs/dbraw/zinc/02/63/55/873026355.db2.gz ZIPSGVVMSCXLNU-ZWKOTPCHSA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001127247730 873026368 /nfs/dbraw/zinc/02/63/68/873026368.db2.gz ZIPSGVVMSCXLNU-ZWKOTPCHSA-N 1 1 381.476 3.947 20 5 GHBDMO CSc1ccc(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000552755147 873134228 /nfs/dbraw/zinc/13/42/28/873134228.db2.gz DOPXWFHNZSZLNX-UHFFFAOYSA-N 1 1 377.466 3.504 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000775744728 873417325 /nfs/dbraw/zinc/41/73/25/873417325.db2.gz PLHTZZGXFDQFIW-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO COc1ccccc1OCC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768823885 873607319 /nfs/dbraw/zinc/60/73/19/873607319.db2.gz RPBBXNBUFJESJU-UHFFFAOYSA-N 1 1 395.253 3.877 20 5 GHBDMO CCOC(=O)c1sc([C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nc1C ZINC001197402021 873769881 /nfs/dbraw/zinc/76/98/81/873769881.db2.gz FBROEHQVXIVXAI-HNNXBMFYSA-N 1 1 389.477 3.568 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000769119653 873820989 /nfs/dbraw/zinc/82/09/89/873820989.db2.gz DEZQOSVUHZVCDY-BJIFSAINSA-N 1 1 375.469 3.845 20 5 GHBDMO CCOC(=O)CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1CC1 ZINC000769122223 873824117 /nfs/dbraw/zinc/82/41/17/873824117.db2.gz OJYDAKRSRRYBPZ-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO Cc1ccc(O[C@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)nc1 ZINC000858038504 882766374 /nfs/dbraw/zinc/76/63/74/882766374.db2.gz UBJXRMMZRQTBAI-YOEHRIQHSA-N 1 1 395.419 3.563 20 5 GHBDMO Cc1ccc(O[C@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)nc1 ZINC000858038504 882766383 /nfs/dbraw/zinc/76/63/83/882766383.db2.gz UBJXRMMZRQTBAI-YOEHRIQHSA-N 1 1 395.419 3.563 20 5 GHBDMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000541583371 873871134 /nfs/dbraw/zinc/87/11/34/873871134.db2.gz RAIVSBYBAMWZDN-IRXDYDNUSA-N 1 1 399.466 3.960 20 5 GHBDMO C[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449012162 874358510 /nfs/dbraw/zinc/35/85/10/874358510.db2.gz ZCTABHNMEHREOG-HNNXBMFYSA-N 1 1 388.489 3.766 20 5 GHBDMO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464774137 874465245 /nfs/dbraw/zinc/46/52/45/874465245.db2.gz IEQZQQRXNJNQCI-MRXNPFEDSA-N 1 1 389.496 3.523 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](COC)C2)cc1OC ZINC000541987162 874677446 /nfs/dbraw/zinc/67/74/46/874677446.db2.gz LXRBLPSWAMBEBD-HZPDHXFCSA-N 1 1 380.485 3.887 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(-c2cccnc2)n1 ZINC000449503488 874966881 /nfs/dbraw/zinc/96/68/81/874966881.db2.gz UFADSISIHOXKOO-GOSISDBHSA-N 1 1 377.448 3.770 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000449559728 875047499 /nfs/dbraw/zinc/04/74/99/875047499.db2.gz YXCACJAIMLBKQR-OAGGEKHMSA-N 1 1 386.448 3.846 20 5 GHBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cc4ccccc43)sc2C1 ZINC000858180989 882914674 /nfs/dbraw/zinc/91/46/74/882914674.db2.gz CSJYQOUKMRGSQU-UHFFFAOYSA-N 1 1 382.445 3.835 20 5 GHBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cc4ccccc43)sc2C1 ZINC000858180989 882914689 /nfs/dbraw/zinc/91/46/89/882914689.db2.gz CSJYQOUKMRGSQU-UHFFFAOYSA-N 1 1 382.445 3.835 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449731394 875298846 /nfs/dbraw/zinc/29/88/46/875298846.db2.gz IOFRAAIXEISEND-KRWDZBQOSA-N 1 1 388.436 3.924 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000163306794 875511481 /nfs/dbraw/zinc/51/14/81/875511481.db2.gz HQZHWGYALYAPDM-AWEZNQCLSA-N 1 1 389.887 3.946 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000163306794 875511495 /nfs/dbraw/zinc/51/14/95/875511495.db2.gz HQZHWGYALYAPDM-AWEZNQCLSA-N 1 1 389.887 3.946 20 5 GHBDMO CC(C)c1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC001201626840 875801677 /nfs/dbraw/zinc/80/16/77/875801677.db2.gz QEPCOERMNUZHNW-NRFANRHFSA-N 1 1 397.519 3.965 20 5 GHBDMO CC(C)c1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC001201626840 875801686 /nfs/dbraw/zinc/80/16/86/875801686.db2.gz QEPCOERMNUZHNW-NRFANRHFSA-N 1 1 397.519 3.965 20 5 GHBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@H]2C1 ZINC000491974469 876072090 /nfs/dbraw/zinc/07/20/90/876072090.db2.gz BSKHQUJCQAGKSA-QRWLVFNGSA-N 1 1 396.447 3.945 20 5 GHBDMO O=C(c1cc(F)ccc1F)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776275645 876143100 /nfs/dbraw/zinc/14/31/00/876143100.db2.gz GPZLKVHLSWXPBH-LJQANCHMSA-N 1 1 390.386 3.501 20 5 GHBDMO CC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@H+]1CCc2ccccc2C1 ZINC000858406995 883074195 /nfs/dbraw/zinc/07/41/95/883074195.db2.gz BASPWEDTCLRWNP-INIZCTEOSA-N 1 1 387.867 3.815 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000610121934 877435023 /nfs/dbraw/zinc/43/50/23/877435023.db2.gz JELBCDREAMLSLT-QGZVFWFLSA-N 1 1 399.516 3.810 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000031006296 877745956 /nfs/dbraw/zinc/74/59/56/877745956.db2.gz FAWLFOQOJGYXAO-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(F)(c4ccccc4)CC3)n2)c1 ZINC000788373566 878039022 /nfs/dbraw/zinc/03/90/22/878039022.db2.gz RLKRIXJBBNQPON-UHFFFAOYSA-N 1 1 381.411 3.772 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000788460818 878081219 /nfs/dbraw/zinc/08/12/19/878081219.db2.gz INFKQLLQGSZHKS-MRXNPFEDSA-N 1 1 383.876 3.983 20 5 GHBDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179925299 878246628 /nfs/dbraw/zinc/24/66/28/878246628.db2.gz KHUAGMKKFUQGIB-SNVBAGLBSA-N 1 1 381.791 3.685 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)cc1 ZINC000776591606 878298780 /nfs/dbraw/zinc/29/87/80/878298780.db2.gz KZUHRXFQAIBJDH-RTWAWAEBSA-N 1 1 398.484 3.926 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593724 878302955 /nfs/dbraw/zinc/30/29/55/878302955.db2.gz WVSNHZDCLWLZBY-PMACEKPBSA-N 1 1 380.448 3.742 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593724 878302969 /nfs/dbraw/zinc/30/29/69/878302969.db2.gz WVSNHZDCLWLZBY-PMACEKPBSA-N 1 1 380.448 3.742 20 5 GHBDMO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776595914 878344015 /nfs/dbraw/zinc/34/40/15/878344015.db2.gz COAQJMYCSCWEKN-KPZWWZAWSA-N 1 1 391.265 3.838 20 5 GHBDMO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776595914 878344030 /nfs/dbraw/zinc/34/40/30/878344030.db2.gz COAQJMYCSCWEKN-KPZWWZAWSA-N 1 1 391.265 3.838 20 5 GHBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(CC(F)(F)F)CC1 ZINC000452032489 878857078 /nfs/dbraw/zinc/85/70/78/878857078.db2.gz NVKJEVCQCCUGPU-UHFFFAOYSA-N 1 1 398.385 3.708 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000795690560 912411000 /nfs/dbraw/zinc/41/10/00/912411000.db2.gz AQABPFUZQZCKJS-NJYVYQBISA-N 1 1 392.459 3.715 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853509155 879073280 /nfs/dbraw/zinc/07/32/80/879073280.db2.gz QZRDABAKGWHRJS-IBGZPJMESA-N 1 1 393.447 3.829 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853509155 879073286 /nfs/dbraw/zinc/07/32/86/879073286.db2.gz QZRDABAKGWHRJS-IBGZPJMESA-N 1 1 393.447 3.829 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000285754103 912421581 /nfs/dbraw/zinc/42/15/81/912421581.db2.gz RUMMBNDYXSGLAV-OAHLLOKOSA-N 1 1 399.451 3.753 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000068880064 879143208 /nfs/dbraw/zinc/14/32/08/879143208.db2.gz GOOHRTCSJCQLMJ-SFHVURJKSA-N 1 1 379.420 3.657 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000068880064 879143223 /nfs/dbraw/zinc/14/32/23/879143223.db2.gz GOOHRTCSJCQLMJ-SFHVURJKSA-N 1 1 379.420 3.657 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1 ZINC000761510547 879197489 /nfs/dbraw/zinc/19/74/89/879197489.db2.gz JILMPGGPYYUOHK-UHFFFAOYSA-N 1 1 389.883 3.965 20 5 GHBDMO Cc1ccsc1[C@@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000531207101 879326871 /nfs/dbraw/zinc/32/68/71/879326871.db2.gz LIKMMEHNWFBDQS-OAHLLOKOSA-N 1 1 375.475 3.911 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccnc(SC)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493989108 879793169 /nfs/dbraw/zinc/79/31/69/879793169.db2.gz JZMKNLGRJVUWTI-UHFFFAOYSA-N 1 1 399.419 3.654 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790573000 879831663 /nfs/dbraw/zinc/83/16/63/879831663.db2.gz YJRFFAPCSUIVPD-UHFFFAOYSA-N 1 1 393.846 3.698 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1F ZINC000854483875 879844499 /nfs/dbraw/zinc/84/44/99/879844499.db2.gz JYMKHJYBTCYEJG-UKRRQHHQSA-N 1 1 389.402 3.574 20 5 GHBDMO Nc1ccc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000854496479 879853601 /nfs/dbraw/zinc/85/36/01/879853601.db2.gz GSAFMXYRMDMWRW-CQSZACIVSA-N 1 1 383.452 3.622 20 5 GHBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1COc2ccccc2O1 ZINC000170905794 879998721 /nfs/dbraw/zinc/99/87/21/879998721.db2.gz JSBMESSJVMXAHP-QGZVFWFLSA-N 1 1 395.415 3.564 20 5 GHBDMO C[NH+](C)[C@@H](c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)c1ccccc1 ZINC000453236545 880663369 /nfs/dbraw/zinc/66/33/69/880663369.db2.gz LIFIPFOCORLMHA-GOSISDBHSA-N 1 1 379.420 3.654 20 5 GHBDMO C[NH+](C)CCOc1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000618731759 881020579 /nfs/dbraw/zinc/02/05/79/881020579.db2.gz HDTYTUGEHMDDGC-UHFFFAOYSA-N 1 1 397.397 3.844 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000499117070 881186687 /nfs/dbraw/zinc/18/66/87/881186687.db2.gz OTBQMVMVGLQOOD-UHFFFAOYSA-N 1 1 388.493 3.734 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000499117070 881186693 /nfs/dbraw/zinc/18/66/93/881186693.db2.gz OTBQMVMVGLQOOD-UHFFFAOYSA-N 1 1 388.493 3.734 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C/C(C)=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000494235356 881313226 /nfs/dbraw/zinc/31/32/26/881313226.db2.gz VZIAZIITGHOHDM-IRVMHKCDSA-N 1 1 383.448 3.966 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C/C(C)=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000494235356 881313253 /nfs/dbraw/zinc/31/32/53/881313253.db2.gz VZIAZIITGHOHDM-IRVMHKCDSA-N 1 1 383.448 3.966 20 5 GHBDMO CC(C)N(CC(F)(F)F)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350718 883162993 /nfs/dbraw/zinc/16/29/93/883162993.db2.gz AJISNEHOLJENPO-UHFFFAOYSA-N 1 1 375.391 3.605 20 5 GHBDMO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350718 883162996 /nfs/dbraw/zinc/16/29/96/883162996.db2.gz AJISNEHOLJENPO-UHFFFAOYSA-N 1 1 375.391 3.605 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000609710728 883569877 /nfs/dbraw/zinc/56/98/77/883569877.db2.gz RTIPHPGTFPOIRB-INIZCTEOSA-N 1 1 398.381 3.528 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000064522066 883583183 /nfs/dbraw/zinc/58/31/83/883583183.db2.gz YJOHWGNOYCQLES-CYBMUJFWSA-N 1 1 393.896 3.952 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859382891 883786708 /nfs/dbraw/zinc/78/67/08/883786708.db2.gz WLBSBZQKJKDVMP-HUUCEWRRSA-N 1 1 379.888 3.975 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000805794170 884081100 /nfs/dbraw/zinc/08/11/00/884081100.db2.gz QAZZADLILWYYQQ-HXUWFJFHSA-N 1 1 375.469 3.818 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000026231521 884220004 /nfs/dbraw/zinc/22/00/04/884220004.db2.gz XBLIPYTWMXYAHC-OAHLLOKOSA-N 1 1 375.450 3.831 20 5 GHBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n1)OC2 ZINC000556341508 884501818 /nfs/dbraw/zinc/50/18/18/884501818.db2.gz UNWZHBXQAXKJRT-CJNGLKHVSA-N 1 1 398.341 3.589 20 5 GHBDMO CCOc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001131000614 885567170 /nfs/dbraw/zinc/56/71/70/885567170.db2.gz XMKYRAYDLRMFTL-KRWDZBQOSA-N 1 1 383.448 3.844 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000532473907 885691521 /nfs/dbraw/zinc/69/15/21/885691521.db2.gz ZSWFTZYOOYBPBP-UHFFFAOYSA-N 1 1 385.439 3.936 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCc1ccc(F)cc1 ZINC000055022998 885982986 /nfs/dbraw/zinc/98/29/86/885982986.db2.gz QYZPIWQAOGBOIK-GFCCVEGCSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747468788 886156202 /nfs/dbraw/zinc/15/62/02/886156202.db2.gz WOUFCAVBEFCWBJ-VQIMIIECSA-N 1 1 377.448 3.764 20 5 GHBDMO COc1ccc(CCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000556857169 886389144 /nfs/dbraw/zinc/38/91/44/886389144.db2.gz FWBZJRXYFOGWOQ-HXUWFJFHSA-N 1 1 380.448 3.649 20 5 GHBDMO C[C@H](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@@H+](C)Cc1ccccc1 ZINC000536517413 886643910 /nfs/dbraw/zinc/64/39/10/886643910.db2.gz CDJXHBNOSJTKJV-OAHLLOKOSA-N 1 1 380.448 3.717 20 5 GHBDMO CN1CC[NH+](C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccccc2)CC1 ZINC000536537383 886846621 /nfs/dbraw/zinc/84/66/21/886846621.db2.gz NTJWMSMINJRXFW-NRFANRHFSA-N 1 1 391.475 3.544 20 5 GHBDMO CCc1cc(N2CCC[C@@H](c3[nH+]ccn3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443961461 887302440 /nfs/dbraw/zinc/30/24/40/887302440.db2.gz LNJQWCVWDTYOQM-MRXNPFEDSA-N 1 1 392.463 3.732 20 5 GHBDMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459343965 887523710 /nfs/dbraw/zinc/52/37/10/887523710.db2.gz MDAGXFYLSFNOBN-AWEZNQCLSA-N 1 1 398.492 3.571 20 5 GHBDMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459343965 887523721 /nfs/dbraw/zinc/52/37/21/887523721.db2.gz MDAGXFYLSFNOBN-AWEZNQCLSA-N 1 1 398.492 3.571 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000153313586 887587714 /nfs/dbraw/zinc/58/77/14/887587714.db2.gz BQPLOVDDOYHCFO-HNNXBMFYSA-N 1 1 396.447 3.964 20 5 GHBDMO C[C@]1(C[C@H]2CCC[N@H+]2Cc2c3ccccc3cc3ccccc32)NC(=O)NC1=O ZINC000809704780 887724442 /nfs/dbraw/zinc/72/44/42/887724442.db2.gz JIMPVPMHNUEXOW-HOYKHHGWSA-N 1 1 387.483 3.946 20 5 GHBDMO COC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)nc1C1CC1 ZINC000809758388 887801256 /nfs/dbraw/zinc/80/12/56/887801256.db2.gz LLQNQOXYQOJJEB-UHFFFAOYSA-N 1 1 375.812 3.597 20 5 GHBDMO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(N)=O ZINC000794717435 887964060 /nfs/dbraw/zinc/96/40/60/887964060.db2.gz MUVKZDHFLQORFW-BMIGLBTASA-N 1 1 382.247 3.649 20 5 GHBDMO CN(C(=O)C[NH+]1CCC(CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000809931164 887983385 /nfs/dbraw/zinc/98/33/85/887983385.db2.gz FLJHVMYGYZOGFN-UHFFFAOYSA-N 1 1 381.476 3.902 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001132306437 888578865 /nfs/dbraw/zinc/57/88/65/888578865.db2.gz IBUXULKNPOJSKR-HKUYNNGSSA-N 1 1 395.503 3.757 20 5 GHBDMO COc1ccccc1[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nccn1C ZINC000866224643 888786809 /nfs/dbraw/zinc/78/68/09/888786809.db2.gz BPNQAEZVZJVRAN-VBKZILBWSA-N 1 1 398.438 3.786 20 5 GHBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000810848450 888939864 /nfs/dbraw/zinc/93/98/64/888939864.db2.gz VBNKHPQOIAKXAI-IEBWSBKVSA-N 1 1 395.459 3.991 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000916402121 888966422 /nfs/dbraw/zinc/96/64/22/888966422.db2.gz POZROWCUSUGQGD-HOTGVXAUSA-N 1 1 384.432 3.732 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000154024666 889066056 /nfs/dbraw/zinc/06/60/56/889066056.db2.gz YBAOQZDAEGVAFS-HNNXBMFYSA-N 1 1 389.521 3.844 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000154110905 889283848 /nfs/dbraw/zinc/28/38/48/889283848.db2.gz ZQCXOMPHCNQQKL-AWEZNQCLSA-N 1 1 377.510 3.701 20 5 GHBDMO COc1cc(Br)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000122444040 889797127 /nfs/dbraw/zinc/79/71/27/889797127.db2.gz LKCOKXQQWGCKCV-UHFFFAOYSA-N 1 1 381.226 3.664 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000811826283 890043883 /nfs/dbraw/zinc/04/38/83/890043883.db2.gz VQAHBIQKABVHEV-UHFFFAOYSA-N 1 1 375.335 3.697 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(F)ccc3Br)C2)nc1 ZINC000533378611 890384739 /nfs/dbraw/zinc/38/47/39/890384739.db2.gz LWZPQQWPOFQKJM-CYBMUJFWSA-N 1 1 395.232 3.578 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3Br)C2)nc1 ZINC000533378611 890384756 /nfs/dbraw/zinc/38/47/56/890384756.db2.gz LWZPQQWPOFQKJM-CYBMUJFWSA-N 1 1 395.232 3.578 20 5 GHBDMO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000812370209 890575564 /nfs/dbraw/zinc/57/55/64/890575564.db2.gz ZQOITSMEDPVJFA-GOSISDBHSA-N 1 1 396.491 3.518 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812847150 891037863 /nfs/dbraw/zinc/03/78/63/891037863.db2.gz BBJCXCKWSDEIOQ-ORAYPTAESA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812847150 891037873 /nfs/dbraw/zinc/03/78/73/891037873.db2.gz BBJCXCKWSDEIOQ-ORAYPTAESA-N 1 1 391.855 3.631 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000825613881 891276346 /nfs/dbraw/zinc/27/63/46/891276346.db2.gz QLCZBHQQCIUAHO-UHFFFAOYSA-N 1 1 385.439 3.718 20 5 GHBDMO C[C@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1c(F)cccc1F ZINC000813171148 891327165 /nfs/dbraw/zinc/32/71/65/891327165.db2.gz DRWONAOSSQOUJB-BBRMVZONSA-N 1 1 390.386 3.794 20 5 GHBDMO C[C@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1c(F)cccc1F ZINC000813171148 891327184 /nfs/dbraw/zinc/32/71/84/891327184.db2.gz DRWONAOSSQOUJB-BBRMVZONSA-N 1 1 390.386 3.794 20 5 GHBDMO CCC[C@@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccn1 ZINC000813172431 891334876 /nfs/dbraw/zinc/33/48/76/891334876.db2.gz HSVQDIRQGSGPMQ-RBUKOAKNSA-N 1 1 383.448 3.691 20 5 GHBDMO CCC[C@@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccn1 ZINC000813172431 891334894 /nfs/dbraw/zinc/33/48/94/891334894.db2.gz HSVQDIRQGSGPMQ-RBUKOAKNSA-N 1 1 383.448 3.691 20 5 GHBDMO CC(C)Oc1ccccc1CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173667 891336793 /nfs/dbraw/zinc/33/67/93/891336793.db2.gz IQFDMYOHAJFDCQ-FQEVSTJZSA-N 1 1 398.459 3.742 20 5 GHBDMO CC(C)Oc1ccccc1CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173667 891336810 /nfs/dbraw/zinc/33/68/10/891336810.db2.gz IQFDMYOHAJFDCQ-FQEVSTJZSA-N 1 1 398.459 3.742 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(c2ccccc2F)CC1 ZINC000813173202 891337072 /nfs/dbraw/zinc/33/70/72/891337072.db2.gz VBZXFDLMPZTFJN-KRWDZBQOSA-N 1 1 384.407 3.583 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(c2ccccc2F)CC1 ZINC000813173202 891337083 /nfs/dbraw/zinc/33/70/83/891337083.db2.gz VBZXFDLMPZTFJN-KRWDZBQOSA-N 1 1 384.407 3.583 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc2ccccc2n1 ZINC000813174352 891338232 /nfs/dbraw/zinc/33/82/32/891338232.db2.gz YMYGIROKHHUGSS-SFHVURJKSA-N 1 1 377.400 3.574 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc2ccccc2n1 ZINC000813174352 891338249 /nfs/dbraw/zinc/33/82/49/891338249.db2.gz YMYGIROKHHUGSS-SFHVURJKSA-N 1 1 377.400 3.574 20 5 GHBDMO O=[N+]([O-])c1cc2ccccc2nc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001184972895 913554348 /nfs/dbraw/zinc/55/43/48/913554348.db2.gz KSLUPBWHVXDORI-UHFFFAOYSA-N 1 1 378.432 3.761 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000497457685 891655277 /nfs/dbraw/zinc/65/52/77/891655277.db2.gz PIJSBXFYYZOQES-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000016554387 891957439 /nfs/dbraw/zinc/95/74/39/891957439.db2.gz VVEBCVRQJQBTBE-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000016554387 891957449 /nfs/dbraw/zinc/95/74/49/891957449.db2.gz VVEBCVRQJQBTBE-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000508677402 892258207 /nfs/dbraw/zinc/25/82/07/892258207.db2.gz HADCNGYTRYSQRU-KZIRBZLESA-N 1 1 382.464 3.726 20 5 GHBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000497733684 892320076 /nfs/dbraw/zinc/32/00/76/892320076.db2.gz IEJVKUGOZPARMF-GASCZTMLSA-N 1 1 391.512 3.510 20 5 GHBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000497733684 892320093 /nfs/dbraw/zinc/32/00/93/892320093.db2.gz IEJVKUGOZPARMF-GASCZTMLSA-N 1 1 391.512 3.510 20 5 GHBDMO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)n1 ZINC000933569689 893080363 /nfs/dbraw/zinc/08/03/63/893080363.db2.gz LWVNVDQUEUDHBK-LBPRGKRZSA-N 1 1 395.257 3.503 20 5 GHBDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)n1 ZINC000933569689 893080379 /nfs/dbraw/zinc/08/03/79/893080379.db2.gz LWVNVDQUEUDHBK-LBPRGKRZSA-N 1 1 395.257 3.503 20 5 GHBDMO COc1cc(C[N@H+](C)CCSC)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000536670257 893501056 /nfs/dbraw/zinc/50/10/56/893501056.db2.gz MSWGJAPRWOAHJZ-UHFFFAOYSA-N 1 1 376.478 3.977 20 5 GHBDMO COc1cc(C[N@@H+](C)CCSC)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000536670257 893501070 /nfs/dbraw/zinc/50/10/70/893501070.db2.gz MSWGJAPRWOAHJZ-UHFFFAOYSA-N 1 1 376.478 3.977 20 5 GHBDMO Cc1c(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000459546706 893775577 /nfs/dbraw/zinc/77/55/77/893775577.db2.gz NYUZGMFAGDIEGC-GFCCVEGCSA-N 1 1 399.289 3.519 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(Br)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000459656703 893997780 /nfs/dbraw/zinc/99/77/80/893997780.db2.gz HLFXAAIWPMEZRL-UHFFFAOYSA-N 1 1 395.253 3.973 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459802942 894216816 /nfs/dbraw/zinc/21/68/16/894216816.db2.gz NGFVUYVUXWPYOG-DOPJRALCSA-N 1 1 386.452 3.579 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778306123 894222713 /nfs/dbraw/zinc/22/27/13/894222713.db2.gz PQOMTZZNCTUHRN-KRWDZBQOSA-N 1 1 376.359 3.504 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778306123 894222734 /nfs/dbraw/zinc/22/27/34/894222734.db2.gz PQOMTZZNCTUHRN-KRWDZBQOSA-N 1 1 376.359 3.504 20 5 GHBDMO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cn1 ZINC000564165374 894672109 /nfs/dbraw/zinc/67/21/09/894672109.db2.gz KXHDFUBCTNYHIG-UHFFFAOYSA-N 1 1 379.420 3.721 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000816453775 894814445 /nfs/dbraw/zinc/81/44/45/894814445.db2.gz UPTRROIJUSRFSZ-LAUBAEHRSA-N 1 1 382.460 3.981 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774902789 913988022 /nfs/dbraw/zinc/98/80/22/913988022.db2.gz JRXNWCCOCYKMKD-MRXNPFEDSA-N 1 1 384.436 3.599 20 5 GHBDMO C[C@@H]1C[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC001185743996 914056358 /nfs/dbraw/zinc/05/63/58/914056358.db2.gz AJVIZVLXZISKRR-WBVHZDCISA-N 1 1 392.459 3.522 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000819224006 896517244 /nfs/dbraw/zinc/51/72/44/896517244.db2.gz SYKGJHYTVIIIRZ-JMJGKCIBSA-N 1 1 395.503 3.519 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130930155 897262020 /nfs/dbraw/zinc/26/20/20/897262020.db2.gz FOJDKYBAFIJYQP-UHFFFAOYSA-N 1 1 398.419 3.805 20 5 GHBDMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000567749407 897377168 /nfs/dbraw/zinc/37/71/68/897377168.db2.gz JRZIIWVKINQPTC-IBGZPJMESA-N 1 1 379.460 3.608 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000820630492 897422817 /nfs/dbraw/zinc/42/28/17/897422817.db2.gz UXUVEDQBSHSGJM-UHFFFAOYSA-N 1 1 379.819 3.832 20 5 GHBDMO CSc1cccc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000568069109 897567717 /nfs/dbraw/zinc/56/77/17/897567717.db2.gz HIZWBVRZPHTESE-UHFFFAOYSA-N 1 1 386.477 3.550 20 5 GHBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000101911502 897980310 /nfs/dbraw/zinc/98/03/10/897980310.db2.gz HSBQRUAHZSSSAW-QGZVFWFLSA-N 1 1 392.499 3.930 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3COc3ccccc3)o2)cc1 ZINC000113508897 899002902 /nfs/dbraw/zinc/00/29/02/899002902.db2.gz JVKWXECPBWDFCI-KRWDZBQOSA-N 1 1 380.404 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3COc3ccccc3)o2)cc1 ZINC000113508897 899002915 /nfs/dbraw/zinc/00/29/15/899002915.db2.gz JVKWXECPBWDFCI-KRWDZBQOSA-N 1 1 380.404 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](Cc3cccc(O)c3)CC3CC3)o2)cc1 ZINC000113506012 899002987 /nfs/dbraw/zinc/00/29/87/899002987.db2.gz QJXOJHXZVDYETI-UHFFFAOYSA-N 1 1 380.404 3.763 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](Cc3cccc(O)c3)CC3CC3)o2)cc1 ZINC000113506012 899003004 /nfs/dbraw/zinc/00/30/04/899003004.db2.gz QJXOJHXZVDYETI-UHFFFAOYSA-N 1 1 380.404 3.763 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000331971669 899309544 /nfs/dbraw/zinc/30/95/44/899309544.db2.gz SJQQZBJLUCQDRP-CQSZACIVSA-N 1 1 377.510 3.842 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823998100 899347553 /nfs/dbraw/zinc/34/75/53/899347553.db2.gz KPRCHWSUAODTTK-UHFFFAOYSA-N 1 1 397.479 3.553 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3F)sc2C1 ZINC000824076700 899382409 /nfs/dbraw/zinc/38/24/09/899382409.db2.gz ZGSWBRXEZDHXBM-UHFFFAOYSA-N 1 1 378.429 3.599 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)o2)c1 ZINC000289828540 914368693 /nfs/dbraw/zinc/36/86/93/914368693.db2.gz UFKZZUXBQDIBDK-XJKSGUPXSA-N 1 1 384.354 3.848 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1Br ZINC000824697065 899747172 /nfs/dbraw/zinc/74/71/72/899747172.db2.gz YJAWUYNJZYGFMK-LXZKKBNFSA-N 1 1 383.286 3.873 20 5 GHBDMO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000121109381 899953731 /nfs/dbraw/zinc/95/37/31/899953731.db2.gz BUASMHDIHSPHNP-NSHDSACASA-N 1 1 382.873 3.596 20 5 GHBDMO CC[N@@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000121109381 899953741 /nfs/dbraw/zinc/95/37/41/899953741.db2.gz BUASMHDIHSPHNP-NSHDSACASA-N 1 1 382.873 3.596 20 5 GHBDMO C[N@@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001144024072 900945566 /nfs/dbraw/zinc/94/55/66/900945566.db2.gz GKABMJOOUJVZCF-OAHLLOKOSA-N 1 1 385.917 3.529 20 5 GHBDMO C[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001144024072 900945577 /nfs/dbraw/zinc/94/55/77/900945577.db2.gz GKABMJOOUJVZCF-OAHLLOKOSA-N 1 1 385.917 3.529 20 5 GHBDMO O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069745001 901125167 /nfs/dbraw/zinc/12/51/67/901125167.db2.gz ZVZOOOCRMDMGDZ-SFHVURJKSA-N 1 1 389.499 3.572 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000047544206 902120516 /nfs/dbraw/zinc/12/05/16/902120516.db2.gz IIPRECMZOUQGRG-MRXNPFEDSA-N 1 1 383.448 3.987 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000264268517 902979332 /nfs/dbraw/zinc/97/93/32/902979332.db2.gz FQYLISZSRZRSLH-QGZVFWFLSA-N 1 1 399.516 3.611 20 5 GHBDMO COCc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000130783070 903022250 /nfs/dbraw/zinc/02/22/50/903022250.db2.gz DPFYFVCBHHLCPB-GOSISDBHSA-N 1 1 387.436 3.808 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](c4nnc5n4CCCCC5)C3)c2c1 ZINC000601100884 903329767 /nfs/dbraw/zinc/32/97/67/903329767.db2.gz DSEDJSPAOCPDQU-OAHLLOKOSA-N 1 1 392.463 3.845 20 5 GHBDMO O=C(NC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1)c1ccsc1 ZINC000601105580 903338547 /nfs/dbraw/zinc/33/85/47/903338547.db2.gz CYYZDNJOUHDDRO-UHFFFAOYSA-N 1 1 382.445 3.603 20 5 GHBDMO O=C(c1ccsc1)N1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601106596 903339690 /nfs/dbraw/zinc/33/96/90/903339690.db2.gz RMKAZNOGEIGMJE-UHFFFAOYSA-N 1 1 382.445 3.557 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)s1 ZINC000578898825 904211287 /nfs/dbraw/zinc/21/12/87/904211287.db2.gz GXZLUGCTSDDZSL-CQSZACIVSA-N 1 1 391.468 3.698 20 5 GHBDMO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000579416944 904581673 /nfs/dbraw/zinc/58/16/73/904581673.db2.gz VGLUTKCHQDCNBO-IBGZPJMESA-N 1 1 381.476 3.935 20 5 GHBDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001171489897 904733759 /nfs/dbraw/zinc/73/37/59/904733759.db2.gz JYNPZMKRSVOBRU-UTKZUKDTSA-N 1 1 388.439 3.571 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000779159896 904868900 /nfs/dbraw/zinc/86/89/00/904868900.db2.gz GLDGRJMBQNIRPM-MJWHDNRXSA-N 1 1 375.469 3.843 20 5 GHBDMO COc1ccc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1O ZINC000174630234 905310640 /nfs/dbraw/zinc/31/06/40/905310640.db2.gz PWMJVVBMQGLASD-UHFFFAOYSA-N 1 1 383.404 3.639 20 5 GHBDMO CCc1cc2c(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cc(=O)oc2cc1O ZINC000801602010 921179962 /nfs/dbraw/zinc/17/99/62/921179962.db2.gz SSQDXXGHOLKBBV-UHFFFAOYSA-N 1 1 382.416 3.644 20 5 GHBDMO CN(CC[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)OC(C)(C)C ZINC001172904768 905929137 /nfs/dbraw/zinc/92/91/37/905929137.db2.gz ALLXOAOBWNOBQQ-KRWDZBQOSA-N 1 1 377.485 3.641 20 5 GHBDMO [NH3+]C1(c2ccccc2F)CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906496 905934351 /nfs/dbraw/zinc/93/43/51/905934351.db2.gz XKGZESXDNSFSNG-SFHVURJKSA-N 1 1 383.467 3.931 20 5 GHBDMO C[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC[C@]1(O)C(F)(F)F ZINC001172908728 905938647 /nfs/dbraw/zinc/93/86/47/905938647.db2.gz NAWMXAWRIKRCJA-RPVQJOFSSA-N 1 1 386.414 3.868 20 5 GHBDMO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172908998 905949744 /nfs/dbraw/zinc/94/97/44/905949744.db2.gz QHKJDJXPCQCSPW-WEYGHZABSA-N 1 1 388.508 3.750 20 5 GHBDMO COC(=O)c1cccc2c1CC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172913880 905985005 /nfs/dbraw/zinc/98/50/05/905985005.db2.gz VGJZDNSTUNMJBV-GOSISDBHSA-N 1 1 380.444 3.687 20 5 GHBDMO Cc1cccc(N2CCC[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)n1 ZINC001172920026 905991068 /nfs/dbraw/zinc/99/10/68/905991068.db2.gz HUCRPKXNKFHXSO-FQEVSTJZSA-N 1 1 380.492 3.758 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1F ZINC001173176056 906251555 /nfs/dbraw/zinc/25/15/55/906251555.db2.gz GGGVLSQCBDAEDA-OAGGEKHMSA-N 1 1 381.492 3.631 20 5 GHBDMO Cc1ccc(CN2C[C@@H]3C[N@H+]([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)cc1 ZINC001173223665 906305634 /nfs/dbraw/zinc/30/56/34/906305634.db2.gz GMCAQLPFJNDCBE-QIJUGHKUSA-N 1 1 379.504 3.898 20 5 GHBDMO Cc1ccc(CN2C[C@@H]3C[N@@H+]([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)cc1 ZINC001173223665 906305648 /nfs/dbraw/zinc/30/56/48/906305648.db2.gz GMCAQLPFJNDCBE-QIJUGHKUSA-N 1 1 379.504 3.898 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001173225096 906306637 /nfs/dbraw/zinc/30/66/37/906306637.db2.gz MFQRYSZJORLCAZ-SFHVURJKSA-N 1 1 395.507 3.698 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001173225962 906309395 /nfs/dbraw/zinc/30/93/95/906309395.db2.gz GTPGSTHFKVMLRY-AAEUAGOBSA-N 1 1 384.358 3.807 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1[C@H](C(N)=O)c1ccccc1 ZINC001173231904 906319022 /nfs/dbraw/zinc/31/90/22/906319022.db2.gz DMBFADDWEGWIRG-MAODMQOUSA-N 1 1 381.476 3.649 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001173233435 906321058 /nfs/dbraw/zinc/32/10/58/906321058.db2.gz WNOMMNPRETWAHS-VKJFTORMSA-N 1 1 377.485 3.903 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001173236670 906346420 /nfs/dbraw/zinc/34/64/20/906346420.db2.gz DSCBAMUWZGRLQE-HNAYVOBHSA-N 1 1 385.439 3.559 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001173237149 906348646 /nfs/dbraw/zinc/34/86/46/906348646.db2.gz IKZKDVDBDUBZAW-OXQOHEQNSA-N 1 1 379.460 3.646 20 5 GHBDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccncc1 ZINC000190973410 906492620 /nfs/dbraw/zinc/49/26/20/906492620.db2.gz YMAIAUUNIBWXHU-NRFANRHFSA-N 1 1 395.415 3.818 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000181661624 907050575 /nfs/dbraw/zinc/05/05/75/907050575.db2.gz LZHBLVBCGSKPHI-UONOGXRCSA-N 1 1 377.510 3.700 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2ncccc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC001176896776 908311366 /nfs/dbraw/zinc/31/13/66/908311366.db2.gz JBEOCKMAXPWFPB-LBPRGKRZSA-N 1 1 381.379 3.802 20 5 GHBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176971332 908338447 /nfs/dbraw/zinc/33/84/47/908338447.db2.gz OELHCUFZVVYIRR-UHFFFAOYSA-N 1 1 393.484 3.553 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000773648390 908537397 /nfs/dbraw/zinc/53/73/97/908537397.db2.gz OBSJPDJNPPBUQK-UHFFFAOYSA-N 1 1 375.469 3.818 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193765106 908693714 /nfs/dbraw/zinc/69/37/14/908693714.db2.gz ZYPIOGOYZHQGMD-IBGZPJMESA-N 1 1 381.476 3.772 20 5 GHBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000194864134 908934480 /nfs/dbraw/zinc/93/44/80/908934480.db2.gz VWPJTQZGKGFGAY-FQEVSTJZSA-N 1 1 387.436 3.661 20 5 GHBDMO C[N@H+]1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](c2ccccc2)C1 ZINC001179016074 909341575 /nfs/dbraw/zinc/34/15/75/909341575.db2.gz XDRRYPWGFXVKPE-AEFFLSMTSA-N 1 1 391.418 3.631 20 5 GHBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001180097157 909917745 /nfs/dbraw/zinc/91/77/45/909917745.db2.gz BYQOCMQNRAHSOZ-GOSISDBHSA-N 1 1 386.448 3.600 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000246122849 910113049 /nfs/dbraw/zinc/11/30/49/910113049.db2.gz DMXLEQVUAWPZGJ-LSDHHAIUSA-N 1 1 379.888 3.975 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000246258578 910207000 /nfs/dbraw/zinc/20/70/00/910207000.db2.gz KOMATUCVFWACAS-ACIOBRDBSA-N 1 1 395.503 3.615 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000299677985 921575777 /nfs/dbraw/zinc/57/57/77/921575777.db2.gz QXQLOAVSYZJWPO-UHFFFAOYSA-N 1 1 379.460 3.566 20 5 GHBDMO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001181267622 910666282 /nfs/dbraw/zinc/66/62/82/910666282.db2.gz SDAPMAGKIKATGO-UHFFFAOYSA-N 1 1 396.838 3.908 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246991641 910843156 /nfs/dbraw/zinc/84/31/56/910843156.db2.gz TZTHKPBVUYFHFO-FZMZJTMJSA-N 1 1 399.289 3.551 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247270033 911088745 /nfs/dbraw/zinc/08/87/45/911088745.db2.gz RFDXOEYENODCBJ-BBRMVZONSA-N 1 1 398.891 3.507 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000774537902 912006459 /nfs/dbraw/zinc/00/64/59/912006459.db2.gz ZRSXVNGXQBGRFR-UHFFFAOYSA-N 1 1 388.225 3.859 20 5 GHBDMO Cc1c(C[N@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)cccc1[N+](=O)[O-] ZINC000303834399 915159601 /nfs/dbraw/zinc/15/96/01/915159601.db2.gz AKFOFTZRRKQDDX-UHFFFAOYSA-N 1 1 380.347 3.865 20 5 GHBDMO Cc1c(C[N@@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)cccc1[N+](=O)[O-] ZINC000303834399 915159608 /nfs/dbraw/zinc/15/96/08/915159608.db2.gz AKFOFTZRRKQDDX-UHFFFAOYSA-N 1 1 380.347 3.865 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1nc2ccccn2c1[N+](=O)[O-] ZINC001187488346 915311365 /nfs/dbraw/zinc/31/13/65/915311365.db2.gz KLSRFVQEIQVIAN-SFHVURJKSA-N 1 1 379.464 3.733 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000360341021 916070080 /nfs/dbraw/zinc/07/00/80/916070080.db2.gz BRKLQUHJWZRCJU-GDBMZVCRSA-N 1 1 379.420 3.665 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)COc1ccccc1 ZINC000775202135 916223962 /nfs/dbraw/zinc/22/39/62/916223962.db2.gz ZMZMRKOWVMHZMW-INIZCTEOSA-N 1 1 378.856 3.899 20 5 GHBDMO Cc1ccccc1[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000796418170 916802976 /nfs/dbraw/zinc/80/29/76/916802976.db2.gz OYBLNHNZSWUJPD-KKSFZXQISA-N 1 1 397.475 3.676 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295128906 917160166 /nfs/dbraw/zinc/16/01/66/917160166.db2.gz KSWAGNLUHCVCIA-OXQOHEQNSA-N 1 1 384.480 3.594 20 5 GHBDMO C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000295674899 917415768 /nfs/dbraw/zinc/41/57/68/917415768.db2.gz KXAUUPGUNXUJLP-CHWSQXEVSA-N 1 1 399.413 3.996 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](CCc2ccccc2)C(C)C)c([N+](=O)[O-])c1 ZINC001190581255 917429119 /nfs/dbraw/zinc/42/91/19/917429119.db2.gz BONBIBRGGUGBGI-UHFFFAOYSA-N 1 1 385.464 3.885 20 5 GHBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000363062300 917706305 /nfs/dbraw/zinc/70/63/05/917706305.db2.gz FWPMKJXVAMJCDK-CQSZACIVSA-N 1 1 379.888 3.719 20 5 GHBDMO Cc1ccc(C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)cc1C ZINC001191164457 917796047 /nfs/dbraw/zinc/79/60/47/917796047.db2.gz DJGQKZTVOGQKRY-UHFFFAOYSA-N 1 1 379.460 3.765 20 5 GHBDMO Cc1ccc(C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)cc1C ZINC001191164457 917796056 /nfs/dbraw/zinc/79/60/56/917796056.db2.gz DJGQKZTVOGQKRY-UHFFFAOYSA-N 1 1 379.460 3.765 20 5 GHBDMO CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114198004 919385628 /nfs/dbraw/zinc/38/56/28/919385628.db2.gz CYPRVIOZFHCVOL-UHFFFAOYSA-N 1 1 389.525 3.944 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)/C=C(/C)c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000800569439 920279162 /nfs/dbraw/zinc/27/91/62/920279162.db2.gz NTTBJCFWMWPVOD-XLEIFJPLSA-N 1 1 379.460 3.734 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)c1 ZINC000800852936 920530388 /nfs/dbraw/zinc/53/03/88/920530388.db2.gz JHXGRATWUZDQTI-UHFFFAOYSA-N 1 1 395.438 3.568 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368626362 922780829 /nfs/dbraw/zinc/78/08/29/922780829.db2.gz SPMGEOSXMOHSCJ-ZFWWWQNUSA-N 1 1 388.855 3.535 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368626362 922780837 /nfs/dbraw/zinc/78/08/37/922780837.db2.gz SPMGEOSXMOHSCJ-ZFWWWQNUSA-N 1 1 388.855 3.535 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](Oc4ccccc4)C3)o2)cc1 ZINC000369293696 923256286 /nfs/dbraw/zinc/25/62/86/923256286.db2.gz NEIUTPMEZLEJOF-SFHVURJKSA-N 1 1 380.404 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](Oc4ccccc4)C3)o2)cc1 ZINC000369293696 923256294 /nfs/dbraw/zinc/25/62/94/923256294.db2.gz NEIUTPMEZLEJOF-SFHVURJKSA-N 1 1 380.404 3.688 20 5 GHBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000410049791 925286135 /nfs/dbraw/zinc/28/61/35/925286135.db2.gz QBJCGZXVLXTBEL-KRWDZBQOSA-N 1 1 387.505 3.859 20 5 GHBDMO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373240738 925960836 /nfs/dbraw/zinc/96/08/36/925960836.db2.gz DOYRTNZSZMRGDM-HNNXBMFYSA-N 1 1 385.468 3.579 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000411118539 926096688 /nfs/dbraw/zinc/09/66/88/926096688.db2.gz FSRCHRMUORWMBP-UHFFFAOYSA-N 1 1 399.403 3.820 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000411173146 926158389 /nfs/dbraw/zinc/15/83/89/926158389.db2.gz OSPHRHLRACLTEV-GFCCVEGCSA-N 1 1 393.390 3.903 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827913433 926262942 /nfs/dbraw/zinc/26/29/42/926262942.db2.gz YKCHSHOCYRMOOB-AEFFLSMTSA-N 1 1 399.894 3.955 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827913433 926262946 /nfs/dbraw/zinc/26/29/46/926262946.db2.gz YKCHSHOCYRMOOB-AEFFLSMTSA-N 1 1 399.894 3.955 20 5 GHBDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000411285787 926272236 /nfs/dbraw/zinc/27/22/36/926272236.db2.gz SQSFZUZJFXLJGZ-ZDUSSCGKSA-N 1 1 376.482 3.944 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411387999 926358115 /nfs/dbraw/zinc/35/81/15/926358115.db2.gz KNCAPYGJCZRYGL-MRXNPFEDSA-N 1 1 387.461 3.722 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000725800299 926445120 /nfs/dbraw/zinc/44/51/20/926445120.db2.gz ICTSWTGFQUKARV-UHFFFAOYSA-N 1 1 375.469 3.959 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000726182409 926580832 /nfs/dbraw/zinc/58/08/32/926580832.db2.gz DHPQADBISHOFSZ-ZJUUUORDSA-N 1 1 379.766 3.542 20 5 GHBDMO C[N@H+](Cc1ccccc1)C[C@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000726796476 926857665 /nfs/dbraw/zinc/85/76/65/926857665.db2.gz AZCYTLYGVRZLOI-HNNXBMFYSA-N 1 1 389.502 3.790 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c2c(c1)COCO2 ZINC000726972385 926966595 /nfs/dbraw/zinc/96/65/95/926966595.db2.gz AOHFQDMBXVSYQD-PMACEKPBSA-N 1 1 384.432 3.549 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001940 926994293 /nfs/dbraw/zinc/99/42/93/926994293.db2.gz RPKXNKYXUAFATF-OXJNMPFZSA-N 1 1 395.459 3.776 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001940 926994301 /nfs/dbraw/zinc/99/43/01/926994301.db2.gz RPKXNKYXUAFATF-OXJNMPFZSA-N 1 1 395.459 3.776 20 5 GHBDMO Cc1cccc(C2(O)CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1C ZINC000751476290 928210312 /nfs/dbraw/zinc/21/03/12/928210312.db2.gz XWMHJHHXAHLLKA-UHFFFAOYSA-N 1 1 381.432 3.836 20 5 GHBDMO O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000751661307 928308822 /nfs/dbraw/zinc/30/88/22/928308822.db2.gz IVTNWSLGMQVAIP-INIZCTEOSA-N 1 1 395.415 3.691 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)cc1 ZINC000752352772 928788475 /nfs/dbraw/zinc/78/84/75/928788475.db2.gz JEZWKCISLPSYLF-FQEVSTJZSA-N 1 1 382.416 3.802 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000544183697 928900765 /nfs/dbraw/zinc/90/07/65/928900765.db2.gz PLTJSPGDQQZOCT-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO CCc1ccc(-c2noc([C@H](C)[NH2+]CCOc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000544516633 929251390 /nfs/dbraw/zinc/25/13/90/929251390.db2.gz GXHBFKVREGERBJ-AWEZNQCLSA-N 1 1 382.420 3.937 20 5 GHBDMO O=C(CC[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000753915544 929590816 /nfs/dbraw/zinc/59/08/16/929590816.db2.gz PEPLCUZEEWKMAD-UHFFFAOYSA-N 1 1 375.375 3.866 20 5 GHBDMO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000546540048 930249732 /nfs/dbraw/zinc/24/97/32/930249732.db2.gz CGKKUYFDMNNILG-GOSISDBHSA-N 1 1 399.466 3.792 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000469971136 930285178 /nfs/dbraw/zinc/28/51/78/930285178.db2.gz CINXCCFIJZGZCP-GOEBONIOSA-N 1 1 388.443 3.503 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000546666065 930341504 /nfs/dbraw/zinc/34/15/04/930341504.db2.gz FLKWCNLXMONHFQ-KRWDZBQOSA-N 1 1 383.448 3.844 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000470126547 930391477 /nfs/dbraw/zinc/39/14/77/930391477.db2.gz RGPPFFIDVHZVOQ-DLBZAZTESA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000470126547 930391482 /nfs/dbraw/zinc/39/14/82/930391482.db2.gz RGPPFFIDVHZVOQ-DLBZAZTESA-N 1 1 392.818 3.954 20 5 GHBDMO CCN1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000470155360 930413935 /nfs/dbraw/zinc/41/39/35/930413935.db2.gz WFCFXMPIEFYPCS-UHFFFAOYSA-N 1 1 377.828 3.562 20 5 GHBDMO CCN1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000470155360 930413938 /nfs/dbraw/zinc/41/39/38/930413938.db2.gz WFCFXMPIEFYPCS-UHFFFAOYSA-N 1 1 377.828 3.562 20 5 GHBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000470705879 930841329 /nfs/dbraw/zinc/84/13/29/930841329.db2.gz BNXCKQYPQWBBEN-KBPBESRZSA-N 1 1 387.411 3.595 20 5 GHBDMO CCOc1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000471015265 931094437 /nfs/dbraw/zinc/09/44/37/931094437.db2.gz UPAFLAZAEVKZQU-BGYRXZFFSA-N 1 1 381.476 3.557 20 5 GHBDMO COc1cc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000557737435 931641399 /nfs/dbraw/zinc/64/13/99/931641399.db2.gz YFSVCRLRFXOIIT-OAQYLSRUSA-N 1 1 385.439 3.845 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000557770952 931674975 /nfs/dbraw/zinc/67/49/75/931674975.db2.gz RDYGVFPJIMFUCU-UHFFFAOYSA-N 1 1 379.844 3.744 20 5 GHBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000783916808 931715404 /nfs/dbraw/zinc/71/54/04/931715404.db2.gz KUYZOIOVUIVTAW-AWEZNQCLSA-N 1 1 377.510 3.844 20 5 GHBDMO C/C(=C\C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784074106 931775772 /nfs/dbraw/zinc/77/57/72/931775772.db2.gz RSWGUUOWKVRERO-PVGBUVFQSA-N 1 1 379.460 3.731 20 5 GHBDMO O=C1[C@@H]([N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000558739539 932204044 /nfs/dbraw/zinc/20/40/44/932204044.db2.gz OFGWTWKAFUKLGN-JKSUJKDBSA-N 1 1 397.397 3.755 20 5 GHBDMO O=C1[C@@H]([N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000558739539 932204045 /nfs/dbraw/zinc/20/40/45/932204045.db2.gz OFGWTWKAFUKLGN-JKSUJKDBSA-N 1 1 397.397 3.755 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740134 932204389 /nfs/dbraw/zinc/20/43/89/932204389.db2.gz WBQCZYULPFESCQ-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740134 932204391 /nfs/dbraw/zinc/20/43/91/932204391.db2.gz WBQCZYULPFESCQ-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO Cc1c(CC(=O)O[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000797252091 932233922 /nfs/dbraw/zinc/23/39/22/932233922.db2.gz UWZVMUIWEBADFK-PXNSSMCTSA-N 1 1 382.460 3.900 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4sccc4Cl)CC3)nc2c1 ZINC000558855104 932275951 /nfs/dbraw/zinc/27/59/51/932275951.db2.gz RMEJJCYFTXSVBI-UHFFFAOYSA-N 1 1 391.884 3.898 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000798484565 932668349 /nfs/dbraw/zinc/66/83/49/932668349.db2.gz SVIZGHHLLYELPI-NRFANRHFSA-N 1 1 382.464 3.937 20 5 GHBDMO CCc1ccc(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000798527772 932691814 /nfs/dbraw/zinc/69/18/14/932691814.db2.gz IHXABVGGPTXTCN-JOCHJYFZSA-N 1 1 381.476 3.799 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000799155722 932890173 /nfs/dbraw/zinc/89/01/73/932890173.db2.gz JVUBEPNLUJJAAN-QVDUIBETSA-N 1 1 392.887 3.817 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000799362411 932972654 /nfs/dbraw/zinc/97/26/54/932972654.db2.gz OJHJZRIETPNKQS-MRXNPFEDSA-N 1 1 393.484 3.600 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001116417927 933547592 /nfs/dbraw/zinc/54/75/92/933547592.db2.gz QUQNQHCDERGZKS-MRXNPFEDSA-N 1 1 389.521 3.940 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000929862970 933676946 /nfs/dbraw/zinc/67/69/46/933676946.db2.gz FIHVWQWMLHBPQM-HKUYNNGSSA-N 1 1 378.856 3.555 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000929862970 933676952 /nfs/dbraw/zinc/67/69/52/933676952.db2.gz FIHVWQWMLHBPQM-HKUYNNGSSA-N 1 1 378.856 3.555 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001116734794 933727151 /nfs/dbraw/zinc/72/71/51/933727151.db2.gz ZSXGZTMGPJWOOQ-APWZRJJASA-N 1 1 386.427 3.918 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001116734794 933727156 /nfs/dbraw/zinc/72/71/56/933727156.db2.gz ZSXGZTMGPJWOOQ-APWZRJJASA-N 1 1 386.427 3.918 20 5 GHBDMO C[C@@H](CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000561344393 934069606 /nfs/dbraw/zinc/06/96/06/934069606.db2.gz PWGRSTJGQQPVNJ-SFHVURJKSA-N 1 1 398.507 3.689 20 5 GHBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001117993480 934074112 /nfs/dbraw/zinc/07/41/12/934074112.db2.gz XKWBKJMPDYLQOC-CYBMUJFWSA-N 1 1 393.285 3.546 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+](C2CCC2)C1 ZINC000561534411 934248264 /nfs/dbraw/zinc/24/82/64/934248264.db2.gz MLJZBCTVWXUPRZ-LBPRGKRZSA-N 1 1 385.386 3.560 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCCN(c4ccccc4)CC3)c2)c1 ZINC000777953161 934360863 /nfs/dbraw/zinc/36/08/63/934360863.db2.gz BTPYWMCDJIDACL-UHFFFAOYSA-N 1 1 377.448 3.628 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000777953863 934369192 /nfs/dbraw/zinc/36/91/92/934369192.db2.gz AWMHPXFPXFZBHD-WMLDXEAASA-N 1 1 389.402 3.638 20 5 GHBDMO CCCCCC(=O)NC1CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777955393 934377138 /nfs/dbraw/zinc/37/71/38/934377138.db2.gz YPGAIJZWZXRWJW-UHFFFAOYSA-N 1 1 399.495 3.577 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777958048 934385479 /nfs/dbraw/zinc/38/54/79/934385479.db2.gz YEFFLUYKWQELNQ-JOCHJYFZSA-N 1 1 391.475 3.622 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc2c(c1)COC2)[C@H]1CC[C@H](O)CC1 ZINC000828818072 935719413 /nfs/dbraw/zinc/71/94/13/935719413.db2.gz ZPSLDYZSSPRDEH-MEMLXQNLSA-N 1 1 382.460 3.931 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCC2(CCC2)C1 ZINC000468149647 1015335766 /nfs/dbraw/zinc/33/57/66/1015335766.db2.gz ZEKMXBDFYTXGJX-ZDUSSCGKSA-N 1 1 386.477 3.921 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCC2(CCC2)C1 ZINC000468149647 1015335776 /nfs/dbraw/zinc/33/57/76/1015335776.db2.gz ZEKMXBDFYTXGJX-ZDUSSCGKSA-N 1 1 386.477 3.921 20 5 GHBDMO CC(C)(O)CCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000545197225 1015644276 /nfs/dbraw/zinc/64/42/76/1015644276.db2.gz ZUXLVQDFRBTIQR-UHFFFAOYSA-N 1 1 389.521 3.602 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000545199693 1015646312 /nfs/dbraw/zinc/64/63/12/1015646312.db2.gz UUTVTGPPKGPPBE-IBGZPJMESA-N 1 1 375.513 3.742 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001227122642 1032278176 /nfs/dbraw/zinc/27/81/76/1032278176.db2.gz SECIYHXWYPPJQM-HNAYVOBHSA-N 1 1 384.432 3.671 20 5 GHBDMO CC[N@@H+]1CCC[C@H](Oc2c(O)cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001227701792 1032522939 /nfs/dbraw/zinc/52/29/39/1032522939.db2.gz JISUMWNIMZMFOH-KRWDZBQOSA-N 1 1 384.432 3.703 20 5 GHBDMO CC[N@H+]1CCC[C@H](Oc2c(O)cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001227701792 1032522947 /nfs/dbraw/zinc/52/29/47/1032522947.db2.gz JISUMWNIMZMFOH-KRWDZBQOSA-N 1 1 384.432 3.703 20 5 GHBDMO COC(=O)c1cccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001227895715 1032675641 /nfs/dbraw/zinc/67/56/41/1032675641.db2.gz CLBYDPOYSMPMFF-QXAKKESOSA-N 1 1 396.443 3.671 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@H](CO)c3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000561497179 1017870514 /nfs/dbraw/zinc/87/05/14/1017870514.db2.gz SCAWWLMULKFGTE-GOSISDBHSA-N 1 1 386.379 3.826 20 5 GHBDMO Nc1c2cccnc2c2ncccc2c1Nc1cccc(CC[NH+]2CCOCC2)c1 ZINC001204379989 1032817030 /nfs/dbraw/zinc/81/70/30/1032817030.db2.gz KBIWEGWEMUPKLY-UHFFFAOYSA-N 1 1 399.498 3.984 20 5 GHBDMO CN(C)c1ccccc1C[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000572798140 1019802421 /nfs/dbraw/zinc/80/24/21/1019802421.db2.gz TVSIXBFCMLXAPN-UHFFFAOYSA-N 1 1 380.448 3.990 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000577327144 1020169739 /nfs/dbraw/zinc/16/97/39/1020169739.db2.gz WPSRUPOAEPKSDS-QGZVFWFLSA-N 1 1 383.370 3.718 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000577327144 1020169745 /nfs/dbraw/zinc/16/97/45/1020169745.db2.gz WPSRUPOAEPKSDS-QGZVFWFLSA-N 1 1 383.370 3.718 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000246066516 1021035383 /nfs/dbraw/zinc/03/53/83/1021035383.db2.gz BZQUOIMKQOXBDO-HZPDHXFCSA-N 1 1 377.460 3.769 20 5 GHBDMO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[NH+]1CCC2(CCC2)CC1 ZINC000795713753 1021099592 /nfs/dbraw/zinc/09/95/92/1021099592.db2.gz LLQMWSFUUQOAGR-UHFFFAOYSA-N 1 1 394.269 3.537 20 5 GHBDMO C[C@]1(CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1(Cl)Cl ZINC000835456831 1022157599 /nfs/dbraw/zinc/15/75/99/1022157599.db2.gz DTQFKPGXYDKUCP-HOCLYGCPSA-N 1 1 387.263 3.686 20 5 GHBDMO C[C@]1(CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1(Cl)Cl ZINC000835456831 1022157606 /nfs/dbraw/zinc/15/76/06/1022157606.db2.gz DTQFKPGXYDKUCP-HOCLYGCPSA-N 1 1 387.263 3.686 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756919834 1023866705 /nfs/dbraw/zinc/86/67/05/1023866705.db2.gz KFTSHANDRYGCKF-AWEZNQCLSA-N 1 1 382.892 3.702 20 5 GHBDMO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000756935869 1023875417 /nfs/dbraw/zinc/87/54/17/1023875417.db2.gz BDLQEQCADUYOMO-CQSZACIVSA-N 1 1 390.871 3.568 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000830879242 1024212975 /nfs/dbraw/zinc/21/29/75/1024212975.db2.gz ZYUATTSIIYDOSD-MRXNPFEDSA-N 1 1 387.867 3.809 20 5 GHBDMO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000831539719 1024628972 /nfs/dbraw/zinc/62/89/72/1024628972.db2.gz VKJNVHVSESSOKV-JXFKEZNVSA-N 1 1 386.448 3.525 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001229060038 1033256132 /nfs/dbraw/zinc/25/61/32/1033256132.db2.gz ZJEKRGUQXWFHSG-LDQXTDLNSA-N 1 1 396.443 3.671 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1F ZINC000839154586 1025656308 /nfs/dbraw/zinc/65/63/08/1025656308.db2.gz IVFRUYZESQJFJE-IBGZPJMESA-N 1 1 380.366 3.958 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3cc(C)sc3[N+](=O)[O-])C2)cc(OC)c1 ZINC001162763210 1025910308 /nfs/dbraw/zinc/91/03/08/1025910308.db2.gz QZRLAPFQTQVGHD-CQSZACIVSA-N 1 1 377.466 3.668 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1Br ZINC000839537508 1026026691 /nfs/dbraw/zinc/02/66/91/1026026691.db2.gz XVEOKGYQQDELHZ-UONOGXRCSA-N 1 1 383.286 3.996 20 5 GHBDMO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1ccc([S@](C)=O)cc1 ZINC000839544462 1026039034 /nfs/dbraw/zinc/03/90/34/1026039034.db2.gz SWPLPJYFEGFQJR-RULNZOCKSA-N 1 1 397.294 3.946 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839589841 1026088907 /nfs/dbraw/zinc/08/89/07/1026088907.db2.gz OVYBKMCEKZBRCB-QGPMSJSTSA-N 1 1 395.887 3.592 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001163657432 1026269428 /nfs/dbraw/zinc/26/94/28/1026269428.db2.gz YZLZCWRYDIMAFB-PMACEKPBSA-N 1 1 387.867 3.728 20 5 GHBDMO Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)[nH+]1 ZINC001163668245 1026274161 /nfs/dbraw/zinc/27/41/61/1026274161.db2.gz PWEANESBIMIENE-UHFFFAOYSA-N 1 1 375.432 3.687 20 5 GHBDMO Cc1c(Br)c(NC[C@H]2CC[N@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC001163740087 1026299874 /nfs/dbraw/zinc/29/98/74/1026299874.db2.gz PFYHBUJIMJRPQA-CYBMUJFWSA-N 1 1 383.290 3.880 20 5 GHBDMO CS(=O)(=O)CCCN1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC001141728101 1026361398 /nfs/dbraw/zinc/36/13/98/1026361398.db2.gz LLDABJDHSNQNNY-UHFFFAOYSA-N 1 1 396.556 3.545 20 5 GHBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC001461104517 1069391802 /nfs/dbraw/zinc/39/18/02/1069391802.db2.gz HPYCQLKAJOCGAS-UHFFFAOYSA-N 1 1 386.429 3.548 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001164342910 1026491860 /nfs/dbraw/zinc/49/18/60/1026491860.db2.gz VIKCPHFQKNOLAB-CEXWTWQISA-N 1 1 383.496 3.832 20 5 GHBDMO CN1Cc2cc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc([N+](=O)[O-])c2N1 ZINC001164499476 1026536425 /nfs/dbraw/zinc/53/64/25/1026536425.db2.gz RCWIXQRXKZZNEB-FFZOFVMBSA-N 1 1 393.491 3.690 20 5 GHBDMO COc1cc(C)nc(N(C)[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001165182456 1026651625 /nfs/dbraw/zinc/65/16/25/1026651625.db2.gz NLARADYGEQIZTQ-MAUKXSAKSA-N 1 1 384.480 3.654 20 5 GHBDMO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165273309 1026688605 /nfs/dbraw/zinc/68/86/05/1026688605.db2.gz QIJDUCHDUBSTLR-AWEZNQCLSA-N 1 1 389.887 3.579 20 5 GHBDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001141767655 1027180120 /nfs/dbraw/zinc/18/01/20/1027180120.db2.gz OIVNTMISZHLICF-SJLPKXTDSA-N 1 1 382.464 3.664 20 5 GHBDMO CC1(C)C(=O)N(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[C@H]1c1ccncc1 ZINC000840125883 1027250081 /nfs/dbraw/zinc/25/00/81/1027250081.db2.gz QBNUSAQMDKRBRE-ICSRJNTNSA-N 1 1 394.475 3.736 20 5 GHBDMO CC1(C)C(=O)N(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[C@H]1c1ccncc1 ZINC000840125883 1027250094 /nfs/dbraw/zinc/25/00/94/1027250094.db2.gz QBNUSAQMDKRBRE-ICSRJNTNSA-N 1 1 394.475 3.736 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001142177078 1028305151 /nfs/dbraw/zinc/30/51/51/1028305151.db2.gz YPLKWGUNLDELGS-ZDUSSCGKSA-N 1 1 391.830 3.734 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001142177078 1028305164 /nfs/dbraw/zinc/30/51/64/1028305164.db2.gz YPLKWGUNLDELGS-ZDUSSCGKSA-N 1 1 391.830 3.734 20 5 GHBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@@H]2C1 ZINC001215270395 1029123651 /nfs/dbraw/zinc/12/36/51/1029123651.db2.gz UBROAXRWNIGPFB-VHKYSDTDSA-N 1 1 396.447 3.849 20 5 GHBDMO Cc1cc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc(C)c1[N+](=O)[O-] ZINC001215404601 1029192787 /nfs/dbraw/zinc/19/27/87/1029192787.db2.gz ULANFMSMIIIDCO-UHFFFAOYSA-N 1 1 394.431 3.761 20 5 GHBDMO COC(=O)c1ccc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001223414314 1030564775 /nfs/dbraw/zinc/56/47/75/1030564775.db2.gz BYNBCEAWIRGNSI-HRAATJIYSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)[C@H](O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001223640612 1030676958 /nfs/dbraw/zinc/67/69/58/1030676958.db2.gz WSURYUMNFSSMTM-ORYQWCPZSA-N 1 1 398.459 3.736 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccn2ccnc2c1 ZINC001151330730 1030865526 /nfs/dbraw/zinc/86/55/26/1030865526.db2.gz RAWGAMJWHQYOGP-UHFFFAOYSA-N 1 1 397.438 3.591 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224986038 1031201451 /nfs/dbraw/zinc/20/14/51/1031201451.db2.gz CTVGVQBGRJVMIR-UTKZUKDTSA-N 1 1 398.459 3.565 20 5 GHBDMO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225848077 1031648340 /nfs/dbraw/zinc/64/83/40/1031648340.db2.gz VUQHZMQXZRDEDR-DGCLKSJQSA-N 1 1 382.342 3.618 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225848077 1031648349 /nfs/dbraw/zinc/64/83/49/1031648349.db2.gz VUQHZMQXZRDEDR-DGCLKSJQSA-N 1 1 382.342 3.618 20 5 GHBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001205663821 1033517904 /nfs/dbraw/zinc/51/79/04/1033517904.db2.gz RFXQTGFFSFRINC-GFCCVEGCSA-N 1 1 380.876 3.895 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC001229490910 1033518037 /nfs/dbraw/zinc/51/80/37/1033518037.db2.gz NJKSEFJETBEZCV-QGZVFWFLSA-N 1 1 397.431 3.794 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC001229490910 1033518047 /nfs/dbraw/zinc/51/80/47/1033518047.db2.gz NJKSEFJETBEZCV-QGZVFWFLSA-N 1 1 397.431 3.794 20 5 GHBDMO CCO[C@@H](C)COc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229808663 1033731909 /nfs/dbraw/zinc/73/19/09/1033731909.db2.gz VJAQMSCKIBQYRE-HNNXBMFYSA-N 1 1 381.476 3.692 20 5 GHBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001229898655 1033781757 /nfs/dbraw/zinc/78/17/57/1033781757.db2.gz CDDAJPPWCIGOPN-LPHOPBHVSA-N 1 1 398.459 3.979 20 5 GHBDMO C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H](C[N+](=O)[O-])C2CC2)c1-3 ZINC001230129733 1033913454 /nfs/dbraw/zinc/91/34/54/1033913454.db2.gz OWUZRKHZYGLLIW-IEBWSBKVSA-N 1 1 380.444 3.578 20 5 GHBDMO Cc1ccc(O[C@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230490476 1034087392 /nfs/dbraw/zinc/08/73/92/1034087392.db2.gz BRKMAVQVVAWNMR-CABCVRRESA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1ccc(O[C@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230490476 1034087402 /nfs/dbraw/zinc/08/74/02/1034087402.db2.gz BRKMAVQVVAWNMR-CABCVRRESA-N 1 1 386.408 3.811 20 5 GHBDMO CC(=O)Cc1c(F)c(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001230794103 1034229267 /nfs/dbraw/zinc/22/92/67/1034229267.db2.gz JJIOZALAWWJMHC-KRWDZBQOSA-N 1 1 386.423 3.909 20 5 GHBDMO CC(=O)Cc1c(F)c(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001230794103 1034229281 /nfs/dbraw/zinc/22/92/81/1034229281.db2.gz JJIOZALAWWJMHC-KRWDZBQOSA-N 1 1 386.423 3.909 20 5 GHBDMO CC(=O)Cc1c(F)c(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)ccc1[N+](=O)[O-] ZINC001230797072 1034230104 /nfs/dbraw/zinc/23/01/04/1034230104.db2.gz UKUCHSHPHULHJP-SFHVURJKSA-N 1 1 383.379 3.562 20 5 GHBDMO COC(=O)c1ccc(OC)c2c1CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C2 ZINC001207417144 1034352683 /nfs/dbraw/zinc/35/26/83/1034352683.db2.gz YTRWJHMCMPMXSF-RVDMUPIBSA-N 1 1 396.443 3.852 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001207711666 1034538712 /nfs/dbraw/zinc/53/87/12/1034538712.db2.gz LVOYJJYUBVKUAH-IAGOWNOFSA-N 1 1 389.496 3.900 20 5 GHBDMO CCOC[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2c1cnn2C ZINC001232221050 1035169286 /nfs/dbraw/zinc/16/92/86/1035169286.db2.gz WFAQPRNIFVNCIN-SFHVURJKSA-N 1 1 387.487 3.652 20 5 GHBDMO CCOC[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2c1cnn2C ZINC001232221050 1035169289 /nfs/dbraw/zinc/16/92/89/1035169289.db2.gz WFAQPRNIFVNCIN-SFHVURJKSA-N 1 1 387.487 3.652 20 5 GHBDMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001161880404 1035320243 /nfs/dbraw/zinc/32/02/43/1035320243.db2.gz AGPBSEJSBQXISV-KRWDZBQOSA-N 1 1 394.456 3.505 20 5 GHBDMO CCOc1ccc(-c2noc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)n2)c(F)c1F ZINC001248208071 1035639370 /nfs/dbraw/zinc/63/93/70/1035639370.db2.gz GUFGPPVDYJJVGA-CYBMUJFWSA-N 1 1 390.346 3.564 20 5 GHBDMO Cc1cc(C(F)(F)F)c(-c2noc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)n2)cn1 ZINC001248211620 1035644362 /nfs/dbraw/zinc/64/43/62/1035644362.db2.gz UFNOOGZOQFZNBS-CQSZACIVSA-N 1 1 393.325 3.610 20 5 GHBDMO CCOc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)c1 ZINC001462183989 1070061343 /nfs/dbraw/zinc/06/13/43/1070061343.db2.gz DDSIEAUWYJLIBU-UHFFFAOYSA-N 1 1 385.464 3.714 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CC[NH2+]C3(CCCCC3)C2)c1F ZINC001246511435 1037450357 /nfs/dbraw/zinc/45/03/57/1037450357.db2.gz IYHHIFLSNNIEDO-CABCVRRESA-N 1 1 379.476 3.718 20 5 GHBDMO CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)C1 ZINC001233830561 1039650773 /nfs/dbraw/zinc/65/07/73/1039650773.db2.gz SYVPFFKESZNKCL-QGZVFWFLSA-N 1 1 384.432 3.849 20 5 GHBDMO CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)C1 ZINC001233830561 1039650780 /nfs/dbraw/zinc/65/07/80/1039650780.db2.gz SYVPFFKESZNKCL-QGZVFWFLSA-N 1 1 384.432 3.849 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cnn(CC3CC3)c21 ZINC001254556389 1040326146 /nfs/dbraw/zinc/32/61/46/1040326146.db2.gz KRVLILHMUAFKGF-OXQOHEQNSA-N 1 1 398.507 3.768 20 5 GHBDMO Cc1ccc(O[C@@H]2C[C@@H]3CN([C@@H](C)Cc4ccccc4[N+](=O)[O-])CC[N@H+]3C2)cc1 ZINC001254561331 1040333683 /nfs/dbraw/zinc/33/36/83/1040333683.db2.gz GPTOVQZJTJCAIH-CZTZKLFOSA-N 1 1 395.503 3.672 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001254563535 1040338298 /nfs/dbraw/zinc/33/82/98/1040338298.db2.gz YDPFTQJNKMNLFR-JKSUJKDBSA-N 1 1 377.485 3.763 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccncc1 ZINC001254590029 1040364304 /nfs/dbraw/zinc/36/43/04/1040364304.db2.gz STUVZZSIHHOJRJ-PGRDOPGGSA-N 1 1 399.454 3.723 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594348 1040367567 /nfs/dbraw/zinc/36/75/67/1040367567.db2.gz QBDVBAWNZWLKGH-WIYYLYMNSA-N 1 1 387.480 3.537 20 5 GHBDMO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@H]4Cc5ccc([N+](=O)[O-])cc5C4)C3)CC2=O)s1 ZINC001254595108 1040368043 /nfs/dbraw/zinc/36/80/43/1040368043.db2.gz JBGSMQYZQFEUCO-RXVVDRJESA-N 1 1 397.500 3.561 20 5 GHBDMO C[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001254598634 1040371162 /nfs/dbraw/zinc/37/11/62/1040371162.db2.gz LBZWAEDRLMKKMT-BJZITVGISA-N 1 1 389.496 3.545 20 5 GHBDMO Cc1nc([C@H]2C[C@@H]3CC[N@H+]([C@@H]4Cc5ccc([N+](=O)[O-])cc5C4)C[C@H]3O2)sc1C ZINC001254598285 1040371796 /nfs/dbraw/zinc/37/17/96/1040371796.db2.gz VRJYVDRZGUNEHF-YGWPLHOASA-N 1 1 399.516 3.987 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001235080804 1040567576 /nfs/dbraw/zinc/56/75/76/1040567576.db2.gz IOEIEAIIBNPEEC-OAQYLSRUSA-N 1 1 394.475 3.675 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255418860 1041013954 /nfs/dbraw/zinc/01/39/54/1041013954.db2.gz DAXSOHRQOFIOBQ-INIZCTEOSA-N 1 1 380.404 3.546 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C)Cc3cnc(Cl)s3)CC2)ccc1[N+](=O)[O-] ZINC001256093755 1041523878 /nfs/dbraw/zinc/52/38/78/1041523878.db2.gz PZHPXJUPSNMUQI-UHFFFAOYSA-N 1 1 396.900 3.814 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C)Cc3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC001256101366 1041528498 /nfs/dbraw/zinc/52/84/98/1041528498.db2.gz GLHOWNHIOILIBR-UHFFFAOYSA-N 1 1 391.418 3.982 20 5 GHBDMO COc1cccc2c1CC[N@H+](C1CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC1)C2 ZINC001256101643 1041528809 /nfs/dbraw/zinc/52/88/09/1041528809.db2.gz QHWKUWNPMPVDLC-UHFFFAOYSA-N 1 1 397.475 3.639 20 5 GHBDMO N[C@H]1C[C@H](CO)[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001236422980 1041708233 /nfs/dbraw/zinc/70/82/33/1041708233.db2.gz KXVUKMXFUVCFJO-LSDHHAIUSA-N 1 1 384.483 3.850 20 5 GHBDMO [NH3+][C@H]1C[C@H](CO)N(Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001236422980 1041708240 /nfs/dbraw/zinc/70/82/40/1041708240.db2.gz KXVUKMXFUVCFJO-LSDHHAIUSA-N 1 1 384.483 3.850 20 5 GHBDMO CCC[N@@H+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(Cl)cc1 ZINC001297667000 1045600338 /nfs/dbraw/zinc/60/03/38/1045600338.db2.gz QIQUUGSIXMENMI-GOSISDBHSA-N 1 1 390.871 3.643 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001261503618 1046012121 /nfs/dbraw/zinc/01/21/21/1046012121.db2.gz GGZPDWAHAXPPDQ-OAHLLOKOSA-N 1 1 394.431 3.637 20 5 GHBDMO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001266226425 1047719397 /nfs/dbraw/zinc/71/93/97/1047719397.db2.gz SFRFKSSBSQGRRK-SJORKVTESA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001266226425 1047719399 /nfs/dbraw/zinc/71/93/99/1047719399.db2.gz SFRFKSSBSQGRRK-SJORKVTESA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@H](c1cccc(Nc2c3ccccc3ncc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001306962327 1048981480 /nfs/dbraw/zinc/98/14/80/1048981480.db2.gz RLPFVYUJXPGLCP-OAHLLOKOSA-N 1 1 378.432 3.702 20 5 GHBDMO C[C@H]1C[C@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001306972928 1048986563 /nfs/dbraw/zinc/98/65/63/1048986563.db2.gz XJEPUUDPFMLZGZ-DOTOQJQBSA-N 1 1 379.464 3.960 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001306982989 1048991448 /nfs/dbraw/zinc/99/14/48/1048991448.db2.gz VFYFBNXSHGPLGE-MAUKXSAKSA-N 1 1 383.448 3.704 20 5 GHBDMO CC[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001307671045 1049492677 /nfs/dbraw/zinc/49/26/77/1049492677.db2.gz XNOAOTAXSYDAID-FQEVSTJZSA-N 1 1 383.492 3.960 20 5 GHBDMO CC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001307671045 1049492684 /nfs/dbraw/zinc/49/26/84/1049492684.db2.gz XNOAOTAXSYDAID-FQEVSTJZSA-N 1 1 383.492 3.960 20 5 GHBDMO CC[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001307671045 1049492693 /nfs/dbraw/zinc/49/26/93/1049492693.db2.gz XNOAOTAXSYDAID-FQEVSTJZSA-N 1 1 383.492 3.960 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307748601 1049561109 /nfs/dbraw/zinc/56/11/09/1049561109.db2.gz GSWXYASPVSRGAG-INIZCTEOSA-N 1 1 393.484 3.743 20 5 GHBDMO CC[N@H+](CCOC)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001307758518 1049573143 /nfs/dbraw/zinc/57/31/43/1049573143.db2.gz RDQPSIVZJPSBLV-GOSISDBHSA-N 1 1 391.855 3.896 20 5 GHBDMO CC[N@@H+](CCOC)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001307758518 1049573155 /nfs/dbraw/zinc/57/31/55/1049573155.db2.gz RDQPSIVZJPSBLV-GOSISDBHSA-N 1 1 391.855 3.896 20 5 GHBDMO Cc1cc(F)ccc1C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001307804422 1049603578 /nfs/dbraw/zinc/60/35/78/1049603578.db2.gz OCFVWTHQYFULPH-UHFFFAOYSA-N 1 1 397.450 3.811 20 5 GHBDMO Cc1noc(C[N@@H+]2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[N+](=O)[O-] ZINC001308076304 1049822300 /nfs/dbraw/zinc/82/23/00/1049822300.db2.gz WOYMOISGWPCTFU-IBGZPJMESA-N 1 1 394.472 3.504 20 5 GHBDMO Cc1noc(C[N@H+]2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[N+](=O)[O-] ZINC001308076304 1049822314 /nfs/dbraw/zinc/82/23/14/1049822314.db2.gz WOYMOISGWPCTFU-IBGZPJMESA-N 1 1 394.472 3.504 20 5 GHBDMO CC(C)C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC001308095432 1049841920 /nfs/dbraw/zinc/84/19/20/1049841920.db2.gz IEHCOKCQPPICPV-UHFFFAOYSA-N 1 1 376.844 3.740 20 5 GHBDMO CC(C)C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC001308095432 1049841930 /nfs/dbraw/zinc/84/19/30/1049841930.db2.gz IEHCOKCQPPICPV-UHFFFAOYSA-N 1 1 376.844 3.740 20 5 GHBDMO O=C(Nc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1)C1CC1 ZINC001308188616 1049905697 /nfs/dbraw/zinc/90/56/97/1049905697.db2.gz QHUKSSQFUCSWBM-UHFFFAOYSA-N 1 1 391.374 3.835 20 5 GHBDMO CCc1ccc(C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC001308661621 1050052018 /nfs/dbraw/zinc/05/20/18/1050052018.db2.gz BHKPNJKNLPPYCT-UHFFFAOYSA-N 1 1 398.459 3.874 20 5 GHBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001310799795 1051599280 /nfs/dbraw/zinc/59/92/80/1051599280.db2.gz CCXPKJWTVCAHOJ-HNNXBMFYSA-N 1 1 388.855 3.953 20 5 GHBDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)C1 ZINC001311261198 1051974628 /nfs/dbraw/zinc/97/46/28/1051974628.db2.gz ZYYNIOKOEGBCDI-LBPRGKRZSA-N 1 1 388.390 3.775 20 5 GHBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001312079715 1052561188 /nfs/dbraw/zinc/56/11/88/1052561188.db2.gz SCMJWEFBXZGXOI-HXUWFJFHSA-N 1 1 396.491 3.839 20 5 GHBDMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001312818532 1052881521 /nfs/dbraw/zinc/88/15/21/1052881521.db2.gz YVYLWAYHOVPWOB-GQIGUUNPSA-N 1 1 382.464 3.618 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC001319315214 1055177617 /nfs/dbraw/zinc/17/76/17/1055177617.db2.gz IYDDCZBIZJJMQP-CQSZACIVSA-N 1 1 382.420 3.716 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC001320177659 1055692396 /nfs/dbraw/zinc/69/23/96/1055692396.db2.gz VVVRBXHRFHHJNC-RBUKOAKNSA-N 1 1 385.439 3.573 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC001320177659 1055692400 /nfs/dbraw/zinc/69/24/00/1055692400.db2.gz VVVRBXHRFHHJNC-RBUKOAKNSA-N 1 1 385.439 3.573 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320542524 1055872538 /nfs/dbraw/zinc/87/25/38/1055872538.db2.gz CTVGZYUVUYMICY-TYCQWZJGSA-N 1 1 399.466 3.864 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320542524 1055872546 /nfs/dbraw/zinc/87/25/46/1055872546.db2.gz CTVGZYUVUYMICY-TYCQWZJGSA-N 1 1 399.466 3.864 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC001320550843 1055875217 /nfs/dbraw/zinc/87/52/17/1055875217.db2.gz NSQBXUXZCNOKKD-CQSZACIVSA-N 1 1 389.427 3.634 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)n1 ZINC001321386636 1056242587 /nfs/dbraw/zinc/24/25/87/1056242587.db2.gz INCNUEGZENSDOZ-CQSZACIVSA-N 1 1 391.269 3.835 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)n1 ZINC001321386636 1056242594 /nfs/dbraw/zinc/24/25/94/1056242594.db2.gz INCNUEGZENSDOZ-CQSZACIVSA-N 1 1 391.269 3.835 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001321941360 1056451000 /nfs/dbraw/zinc/45/10/00/1056451000.db2.gz JWTNIDCUZFYZGM-FQEVSTJZSA-N 1 1 379.460 3.847 20 5 GHBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001354808200 1056951757 /nfs/dbraw/zinc/95/17/57/1056951757.db2.gz WBHJZKVLRAFLRB-MRXNPFEDSA-N 1 1 379.888 3.562 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001325856168 1057374495 /nfs/dbraw/zinc/37/44/95/1057374495.db2.gz XWLLVFUEISFVKU-MWWJCJHHSA-N 1 1 395.503 3.804 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001325856168 1057374499 /nfs/dbraw/zinc/37/44/99/1057374499.db2.gz XWLLVFUEISFVKU-MWWJCJHHSA-N 1 1 395.503 3.804 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001325856168 1057374505 /nfs/dbraw/zinc/37/45/05/1057374505.db2.gz XWLLVFUEISFVKU-MWWJCJHHSA-N 1 1 395.503 3.804 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC001442472323 1058965847 /nfs/dbraw/zinc/96/58/47/1058965847.db2.gz UMHNBVIVKSPKFE-LJQANCHMSA-N 1 1 381.476 3.854 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001452702579 1060989876 /nfs/dbraw/zinc/98/98/76/1060989876.db2.gz CSHAHWUPDAGQGZ-UHFFFAOYSA-N 1 1 382.807 3.990 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001453493878 1061142268 /nfs/dbraw/zinc/14/22/68/1061142268.db2.gz IICPYWGCPHCEIK-FQEVSTJZSA-N 1 1 381.476 3.886 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC001454497596 1061805721 /nfs/dbraw/zinc/80/57/21/1061805721.db2.gz MCGMKOJAUHAGMB-ZDUSSCGKSA-N 1 1 391.830 3.906 20 5 GHBDMO COc1cccc(C(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001455069781 1061992887 /nfs/dbraw/zinc/99/28/87/1061992887.db2.gz DQKYMZIKMRCAQM-GOSISDBHSA-N 1 1 397.475 3.730 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001435655774 1062815376 /nfs/dbraw/zinc/81/53/76/1062815376.db2.gz BOENTXLVFQWLSW-TYCQWZJGSA-N 1 1 397.450 3.764 20 5 GHBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001348084030 1062911384 /nfs/dbraw/zinc/91/13/84/1062911384.db2.gz JTASTDJGBQSRFK-CABCVRRESA-N 1 1 388.468 3.616 20 5 GHBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001348084031 1062911664 /nfs/dbraw/zinc/91/16/64/1062911664.db2.gz JTASTDJGBQSRFK-GJZGRUSLSA-N 1 1 388.468 3.616 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC001435989040 1063065157 /nfs/dbraw/zinc/06/51/57/1063065157.db2.gz DGCRAWRJKLQPTH-IBGZPJMESA-N 1 1 387.867 3.889 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001458253918 1063696855 /nfs/dbraw/zinc/69/68/55/1063696855.db2.gz RCTMQFOHLMTYNG-RDJZCZTQSA-N 1 1 392.459 3.648 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001458473181 1063832218 /nfs/dbraw/zinc/83/22/18/1063832218.db2.gz IQPKKCNEEUQXSD-LJQANCHMSA-N 1 1 380.492 3.622 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC001458550451 1063886279 /nfs/dbraw/zinc/88/62/79/1063886279.db2.gz ZNKJRSYADCOKPT-SFHVURJKSA-N 1 1 383.448 3.848 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001458631123 1063910003 /nfs/dbraw/zinc/91/00/03/1063910003.db2.gz NFACRMCWVZWIRA-UTKZUKDTSA-N 1 1 393.487 3.653 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001438339149 1064037760 /nfs/dbraw/zinc/03/77/60/1064037760.db2.gz XJELWAQLEOSWIL-WMZOPIPTSA-N 1 1 399.516 3.571 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC001459677505 1064164997 /nfs/dbraw/zinc/16/49/97/1064164997.db2.gz PVFNOUKGQNOIRZ-ICSRJNTNSA-N 1 1 382.460 3.877 20 5 GHBDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001459697136 1064174675 /nfs/dbraw/zinc/17/46/75/1064174675.db2.gz XIKMRBDBKRIHOT-QZTJIDSGSA-N 1 1 377.485 3.757 20 5 GHBDMO C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001439110730 1064176783 /nfs/dbraw/zinc/17/67/83/1064176783.db2.gz LGTWSPMWCJZWQH-IERDGZPVSA-N 1 1 399.878 3.842 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001464046787 1064787429 /nfs/dbraw/zinc/78/74/29/1064787429.db2.gz NBXBNXRFOUDVSS-IBGZPJMESA-N 1 1 387.867 3.871 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001464046787 1064787440 /nfs/dbraw/zinc/78/74/40/1064787440.db2.gz NBXBNXRFOUDVSS-IBGZPJMESA-N 1 1 387.867 3.871 20 5 GHBDMO CC(C)Oc1cc(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001353579941 1066057718 /nfs/dbraw/zinc/05/77/18/1066057718.db2.gz IJGNKKIAAHONFT-INIZCTEOSA-N 1 1 385.464 3.632 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001353856100 1066306859 /nfs/dbraw/zinc/30/68/59/1066306859.db2.gz KOYVIBLJLGCMMR-YHYVQYDKSA-N 1 1 393.487 3.821 20 5 GHBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001358470666 1067536986 /nfs/dbraw/zinc/53/69/86/1067536986.db2.gz OUTHUABGRTXHHI-LJQANCHMSA-N 1 1 381.476 3.948 20 5 GHBDMO COCC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CC[C@H](C)C1 ZINC001473436659 1067557600 /nfs/dbraw/zinc/55/76/00/1067557600.db2.gz VLETZYMMKOYBSL-GXTWGEPZSA-N 1 1 394.859 3.935 20 5 GHBDMO C[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001468275943 1067663367 /nfs/dbraw/zinc/66/33/67/1067663367.db2.gz LOFKOEGZALYVBP-AOIWGVFYSA-N 1 1 396.491 3.833 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCC1 ZINC001468282424 1067666633 /nfs/dbraw/zinc/66/66/33/1067666633.db2.gz PEXNPESXVIYCBC-UHFFFAOYSA-N 1 1 392.459 3.861 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001468948580 1067935643 /nfs/dbraw/zinc/93/56/43/1067935643.db2.gz ZIIONKUAUKFELP-OALUTQOASA-N 1 1 388.512 3.748 20 5 GHBDMO CC(C)c1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC001359812466 1068200925 /nfs/dbraw/zinc/20/09/25/1068200925.db2.gz GPLNVSBRKMDFQI-CQSZACIVSA-N 1 1 387.505 3.956 20 5 GHBDMO CC(C)c1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC001359812466 1068200935 /nfs/dbraw/zinc/20/09/35/1068200935.db2.gz GPLNVSBRKMDFQI-CQSZACIVSA-N 1 1 387.505 3.956 20 5 GHBDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001460273839 1068901510 /nfs/dbraw/zinc/90/15/10/1068901510.db2.gz BPYCSKYHOQMPTH-QFIPXVFZSA-N 1 1 397.450 3.720 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001460293629 1068910649 /nfs/dbraw/zinc/91/06/49/1068910649.db2.gz CTZKJIYHUBEDMD-ARFHVFGLSA-N 1 1 393.484 3.692 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001460293629 1068910653 /nfs/dbraw/zinc/91/06/53/1068910653.db2.gz CTZKJIYHUBEDMD-ARFHVFGLSA-N 1 1 393.484 3.692 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCCC[C@H]2CO)cc1OC ZINC001460315495 1068921016 /nfs/dbraw/zinc/92/10/16/1068921016.db2.gz RWGBEFIVKJKOMH-RDJZCZTQSA-N 1 1 380.485 3.765 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001460880735 1069250283 /nfs/dbraw/zinc/25/02/83/1069250283.db2.gz LUAAYZSCXASFFB-ZBFHGGJFSA-N 1 1 393.484 3.586 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001470781337 1072736378 /nfs/dbraw/zinc/73/63/78/1072736378.db2.gz OPWMIMUYQGAFHV-OXQOHEQNSA-N 1 1 399.516 3.714 20 5 GHBDMO C[C@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccccc1[N+](=O)[O-] ZINC001472624424 1073583268 /nfs/dbraw/zinc/58/32/68/1073583268.db2.gz LXJVBHJFPDAVSX-APWZRJJASA-N 1 1 381.476 3.938 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001472842805 1073689400 /nfs/dbraw/zinc/68/94/00/1073689400.db2.gz AXPUANVJXSBQPS-GOSISDBHSA-N 1 1 383.496 3.834 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001473154216 1073812819 /nfs/dbraw/zinc/81/28/19/1073812819.db2.gz RTUMLLSYPOTURU-KRWDZBQOSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001479296444 1079174363 /nfs/dbraw/zinc/17/43/63/1079174363.db2.gz AKOFKNOYEZVAME-KSZLIROESA-N 1 1 388.512 3.952 20 5 GHBDMO CCC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001473304677 1073913684 /nfs/dbraw/zinc/91/36/84/1073913684.db2.gz DFDLQFRGSVYCSK-OAQYLSRUSA-N 1 1 383.492 3.960 20 5 GHBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525795 1074001376 /nfs/dbraw/zinc/00/13/76/1074001376.db2.gz GVCXCIYMXPAZCL-RBUKOAKNSA-N 1 1 383.448 3.711 20 5 GHBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525795 1074001384 /nfs/dbraw/zinc/00/13/84/1074001384.db2.gz GVCXCIYMXPAZCL-RBUKOAKNSA-N 1 1 383.448 3.711 20 5 GHBDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001473560676 1074016774 /nfs/dbraw/zinc/01/67/74/1074016774.db2.gz AIVHJSQKJZQIOR-CVEARBPZSA-N 1 1 378.469 3.663 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001473670863 1074077362 /nfs/dbraw/zinc/07/73/62/1074077362.db2.gz PXYVKEUELRWQPD-MRXNPFEDSA-N 1 1 375.469 3.834 20 5 GHBDMO CC(C)(C)n1cncc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001473896471 1074194166 /nfs/dbraw/zinc/19/41/66/1074194166.db2.gz DGARHVLYESJJKH-MRXNPFEDSA-N 1 1 399.495 3.755 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001474244075 1074307460 /nfs/dbraw/zinc/30/74/60/1074307460.db2.gz DBHDFDRBLUUBIV-RKDXNWHRSA-N 1 1 388.264 3.585 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826498470 608523837 /nfs/dbraw/zinc/52/38/37/608523837.db2.gz WMGBELRRKDZODI-KRWDZBQOSA-N 1 1 384.827 3.596 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)[C@@H]2C ZINC001164857888 720956282 /nfs/dbraw/zinc/95/62/82/720956282.db2.gz HWBREXNVKMNMPC-OAHLLOKOSA-N 1 1 394.479 3.761 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Cl)c1 ZINC001164953236 722012518 /nfs/dbraw/zinc/01/25/18/722012518.db2.gz CPVYJYZCRWRBDB-UHFFFAOYSA-N 1 1 387.871 3.531 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000180604928 837391777 /nfs/dbraw/zinc/39/17/77/837391777.db2.gz ZYEWZJRGWZOVPZ-UKRRQHHQSA-N 1 1 382.363 3.877 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000180604928 837391785 /nfs/dbraw/zinc/39/17/85/837391785.db2.gz ZYEWZJRGWZOVPZ-UKRRQHHQSA-N 1 1 382.363 3.877 20 5 GHBDMO COC(=O)c1oc([C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000180696737 837467674 /nfs/dbraw/zinc/46/76/74/837467674.db2.gz UNAFPFXIBIVIGK-AWEZNQCLSA-N 1 1 388.420 3.887 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000180727962 837500742 /nfs/dbraw/zinc/50/07/42/837500742.db2.gz NTCHWFUKDPQBSN-RTBURBONSA-N 1 1 384.480 3.775 20 5 GHBDMO CC(C)C(=O)NCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000180836649 837598999 /nfs/dbraw/zinc/59/89/99/837598999.db2.gz VRPCYNVWPIRARE-UHFFFAOYSA-N 1 1 379.844 3.712 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176988610 837714158 /nfs/dbraw/zinc/71/41/58/837714158.db2.gz RCQAKWLBXVQNAU-CYBMUJFWSA-N 1 1 398.301 3.742 20 5 GHBDMO O=[N+]([O-])c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2cccnc21 ZINC000577563978 834496848 /nfs/dbraw/zinc/49/68/48/834496848.db2.gz LUMRLCOPBBOQAX-GOSISDBHSA-N 1 1 393.443 3.813 20 5 GHBDMO COc1ccc(-c2ccc(CN3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532986 834587094 /nfs/dbraw/zinc/58/70/94/834587094.db2.gz ZOEYVWBRSZKRPP-BEFAXECRSA-N 1 1 385.464 3.780 20 5 GHBDMO COc1ccc(-c2ccc(CN3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532986 834587100 /nfs/dbraw/zinc/58/71/00/834587100.db2.gz ZOEYVWBRSZKRPP-BEFAXECRSA-N 1 1 385.464 3.780 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000177145988 837796844 /nfs/dbraw/zinc/79/68/44/837796844.db2.gz SYWWRFVSIPXJFZ-HXUWFJFHSA-N 1 1 397.475 3.565 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000510068819 834828887 /nfs/dbraw/zinc/82/88/87/834828887.db2.gz DLEDBOOVGJWJTQ-SJLPKXTDSA-N 1 1 399.466 3.693 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246876459 834979313 /nfs/dbraw/zinc/97/93/13/834979313.db2.gz QGQYODRYPFXQNH-ALKREAHSSA-N 1 1 397.479 3.655 20 5 GHBDMO C[C@@H](CCSc1ccccc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000583766613 835008192 /nfs/dbraw/zinc/00/81/92/835008192.db2.gz TUOVKKWDBJBJGJ-KRWDZBQOSA-N 1 1 399.516 3.924 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000510090849 835121722 /nfs/dbraw/zinc/12/17/22/835121722.db2.gz YVSJLLOLJMYLHG-FXAWDEMLSA-N 1 1 381.476 3.554 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H](c4cccs4)C3)o2)c1 ZINC000157536948 835192623 /nfs/dbraw/zinc/19/26/23/835192623.db2.gz VNNNLJVSBVSGFM-QGZVFWFLSA-N 1 1 385.445 3.927 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](c4cccs4)C3)o2)c1 ZINC000157536948 835192626 /nfs/dbraw/zinc/19/26/26/835192626.db2.gz VNNNLJVSBVSGFM-QGZVFWFLSA-N 1 1 385.445 3.927 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000247910132 835333695 /nfs/dbraw/zinc/33/36/95/835333695.db2.gz UIASZEBBMLIUOJ-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO COc1cccc(CC2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000612123283 835559862 /nfs/dbraw/zinc/55/98/62/835559862.db2.gz QVKXDSCVEZBDTJ-UHFFFAOYSA-N 1 1 397.475 3.521 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000046615549 835806017 /nfs/dbraw/zinc/80/60/17/835806017.db2.gz LKBFJIBWZRNYJZ-HNNXBMFYSA-N 1 1 382.464 3.603 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000053087877 836052939 /nfs/dbraw/zinc/05/29/39/836052939.db2.gz JUIKJKYZAVXAFU-CYBMUJFWSA-N 1 1 375.400 3.764 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000053087877 836052945 /nfs/dbraw/zinc/05/29/45/836052945.db2.gz JUIKJKYZAVXAFU-CYBMUJFWSA-N 1 1 375.400 3.764 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2cccs2)C(C)C)c([N+](=O)[O-])c1 ZINC000411189957 836083013 /nfs/dbraw/zinc/08/30/13/836083013.db2.gz XLQFPJUOQYLGKY-UHFFFAOYSA-N 1 1 377.466 3.904 20 5 GHBDMO COCCn1cc2c(n1)[C@H]([NH2+]Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCC2 ZINC000365009006 836154600 /nfs/dbraw/zinc/15/46/00/836154600.db2.gz DRAIIDFALPXKDU-LJQANCHMSA-N 1 1 396.447 3.865 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510164350 836327214 /nfs/dbraw/zinc/32/72/14/836327214.db2.gz DWNTWVXHXIAIKI-SJLPKXTDSA-N 1 1 397.475 3.634 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174188788 836395079 /nfs/dbraw/zinc/39/50/79/836395079.db2.gz MBJAOTMQGXQBSG-GOSISDBHSA-N 1 1 382.464 3.889 20 5 GHBDMO COCCOc1ccccc1N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000473300712 844160912 /nfs/dbraw/zinc/16/09/12/844160912.db2.gz XSLDUOQDLATFLG-KRWDZBQOSA-N 1 1 385.464 3.503 20 5 GHBDMO CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000612825425 836822219 /nfs/dbraw/zinc/82/22/19/836822219.db2.gz VYOJCWDHRRPZCA-SFHVURJKSA-N 1 1 380.448 3.832 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000610788700 844216743 /nfs/dbraw/zinc/21/67/43/844216743.db2.gz FFCAXUOAKMIWBJ-NRFANRHFSA-N 1 1 383.448 3.797 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000610788700 844216750 /nfs/dbraw/zinc/21/67/50/844216750.db2.gz FFCAXUOAKMIWBJ-NRFANRHFSA-N 1 1 383.448 3.797 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000924314826 836962495 /nfs/dbraw/zinc/96/24/95/836962495.db2.gz AHFFBKMFAJZAHA-UHFFFAOYSA-N 1 1 376.844 3.916 20 5 GHBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275389784 836965324 /nfs/dbraw/zinc/96/53/24/836965324.db2.gz ARQQRSXWPHNYDS-LBPRGKRZSA-N 1 1 387.430 3.832 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471299107 837116923 /nfs/dbraw/zinc/11/69/23/837116923.db2.gz YLXSTLFGEODMMB-MRXNPFEDSA-N 1 1 387.867 3.809 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177585118 837980895 /nfs/dbraw/zinc/98/08/95/837980895.db2.gz IZLGIEXEKYWTKV-HXUWFJFHSA-N 1 1 392.496 3.932 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000109825867 838097433 /nfs/dbraw/zinc/09/74/33/838097433.db2.gz FYRSUDTVMUCDAA-MRXNPFEDSA-N 1 1 383.448 3.847 20 5 GHBDMO C[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000579054053 838286418 /nfs/dbraw/zinc/28/64/18/838286418.db2.gz XBKZJQOXANVDDU-VGOFRKELSA-N 1 1 381.476 3.869 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001125400023 838425056 /nfs/dbraw/zinc/42/50/56/838425056.db2.gz YDHCDOGSVFHVIR-NSGGIEJNSA-N 1 1 379.460 3.650 20 5 GHBDMO CC(C)[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H]1CCC(=O)N1 ZINC000414560589 838625693 /nfs/dbraw/zinc/62/56/93/838625693.db2.gz QZEJWHBJMNRDJO-ZDUSSCGKSA-N 1 1 391.855 3.997 20 5 GHBDMO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000610372537 838759919 /nfs/dbraw/zinc/75/99/19/838759919.db2.gz ZTNKAPCXJSIIFO-FQEVSTJZSA-N 1 1 383.492 3.818 20 5 GHBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000610372537 838759928 /nfs/dbraw/zinc/75/99/28/838759928.db2.gz ZTNKAPCXJSIIFO-FQEVSTJZSA-N 1 1 383.492 3.818 20 5 GHBDMO CN(CC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC001167353954 838872128 /nfs/dbraw/zinc/87/21/28/838872128.db2.gz TXTTXLAGNBDBEO-UHFFFAOYSA-N 1 1 378.270 3.926 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000177740327 839137921 /nfs/dbraw/zinc/13/79/21/839137921.db2.gz HZCJCQXSMWSNKU-SFHVURJKSA-N 1 1 383.448 3.726 20 5 GHBDMO CN(C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC000549174294 839167580 /nfs/dbraw/zinc/16/75/80/839167580.db2.gz WLOHIFZSLLUSDG-OAQYLSRUSA-N 1 1 381.476 3.605 20 5 GHBDMO CN(C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC000549174294 839167586 /nfs/dbraw/zinc/16/75/86/839167586.db2.gz WLOHIFZSLLUSDG-OAQYLSRUSA-N 1 1 381.476 3.605 20 5 GHBDMO COc1cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000580311729 839229034 /nfs/dbraw/zinc/22/90/34/839229034.db2.gz OZSQZUAVOVBSJK-LPHOPBHVSA-N 1 1 399.491 3.742 20 5 GHBDMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365817913 839517126 /nfs/dbraw/zinc/51/71/26/839517126.db2.gz DEJFPAOBHAFCRG-OAHLLOKOSA-N 1 1 399.495 3.580 20 5 GHBDMO CCCC[N@@H+]1CCCC[C@H]1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236755762 839644771 /nfs/dbraw/zinc/64/47/71/839644771.db2.gz ROOJUWMTXHAFJL-FQEVSTJZSA-N 1 1 385.512 3.740 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236755762 839644781 /nfs/dbraw/zinc/64/47/81/839644781.db2.gz ROOJUWMTXHAFJL-FQEVSTJZSA-N 1 1 385.512 3.740 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458220347 844472507 /nfs/dbraw/zinc/47/25/07/844472507.db2.gz PAVGMMZVCVHQCL-HNNXBMFYSA-N 1 1 379.526 3.949 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000610160533 840030075 /nfs/dbraw/zinc/03/00/75/840030075.db2.gz VQTWZCGNBLJWBH-LBPRGKRZSA-N 1 1 393.285 3.684 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1)CC1CC1 ZINC000537819465 840368391 /nfs/dbraw/zinc/36/83/91/840368391.db2.gz ZWLWJMHYPZUIOB-UHFFFAOYSA-N 1 1 377.460 3.708 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000573511874 844580842 /nfs/dbraw/zinc/58/08/42/844580842.db2.gz LIPAWKCEVMFSNV-OAQYLSRUSA-N 1 1 391.475 3.676 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000511838234 840917072 /nfs/dbraw/zinc/91/70/72/840917072.db2.gz MZAXCMDXEQLESR-FVTFTPSCSA-N 1 1 382.460 3.603 20 5 GHBDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000511851689 840943610 /nfs/dbraw/zinc/94/36/10/840943610.db2.gz KEUBPDDHYBAGCJ-UHFFFAOYSA-N 1 1 385.464 3.765 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)cc1)C1CC1 ZINC000511854322 840952655 /nfs/dbraw/zinc/95/26/55/840952655.db2.gz PZWDUNGLGVYQQC-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500976239 844606052 /nfs/dbraw/zinc/60/60/52/844606052.db2.gz JAODIDYNUUBOGC-MRXNPFEDSA-N 1 1 389.839 3.730 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000107063978 841177017 /nfs/dbraw/zinc/17/70/17/841177017.db2.gz PFKRCQYAVCGMSP-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000500070390 841376222 /nfs/dbraw/zinc/37/62/22/841376222.db2.gz AOTLVJMGQUMISR-IBGZPJMESA-N 1 1 382.464 3.827 20 5 GHBDMO COC(=O)c1cc(NCc2ccc(C)[nH+]c2N2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000302072554 861197060 /nfs/dbraw/zinc/19/70/60/861197060.db2.gz ZHXOUHJMZDPNTF-UHFFFAOYSA-N 1 1 384.436 3.606 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000302169866 861227827 /nfs/dbraw/zinc/22/78/27/861227827.db2.gz LTXNEGQHTIMUIV-KBXCAEBGSA-N 1 1 389.477 3.938 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000108822074 841704517 /nfs/dbraw/zinc/70/45/17/841704517.db2.gz BJPAAZZZWQHQPA-GASCZTMLSA-N 1 1 379.526 3.560 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCCCNC1=O ZINC000123818883 841852727 /nfs/dbraw/zinc/85/27/27/841852727.db2.gz ZPQIXBGTXQPFJB-MRXNPFEDSA-N 1 1 377.828 3.609 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCCCNC1=O ZINC000123818883 841852729 /nfs/dbraw/zinc/85/27/29/841852729.db2.gz ZPQIXBGTXQPFJB-MRXNPFEDSA-N 1 1 377.828 3.609 20 5 GHBDMO C[C@H](OC[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000046836075 841879591 /nfs/dbraw/zinc/87/95/91/841879591.db2.gz PEYBCYNZSHCAAE-KBXCAEBGSA-N 1 1 378.856 3.819 20 5 GHBDMO COC[C@@]1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000600213210 861256642 /nfs/dbraw/zinc/25/66/42/861256642.db2.gz KKBGRCAABVLTOL-GOSISDBHSA-N 1 1 380.828 3.746 20 5 GHBDMO COC[C@@]1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000600213210 861256665 /nfs/dbraw/zinc/25/66/65/861256665.db2.gz KKBGRCAABVLTOL-GOSISDBHSA-N 1 1 380.828 3.746 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000510450046 842015319 /nfs/dbraw/zinc/01/53/19/842015319.db2.gz QRCRPUGZDHVZCT-FVJLSDCUSA-N 1 1 397.523 3.833 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000603868411 861299083 /nfs/dbraw/zinc/29/90/83/861299083.db2.gz LXBFDVQMHCYAPH-GOSISDBHSA-N 1 1 394.431 3.861 20 5 GHBDMO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000512185579 842833404 /nfs/dbraw/zinc/83/34/04/842833404.db2.gz KFAJZUXRNHSJKS-OXJNMPFZSA-N 1 1 388.489 3.842 20 5 GHBDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000512185579 842833415 /nfs/dbraw/zinc/83/34/15/842833415.db2.gz KFAJZUXRNHSJKS-OXJNMPFZSA-N 1 1 388.489 3.842 20 5 GHBDMO Cc1ccnc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c1 ZINC000510539712 842928767 /nfs/dbraw/zinc/92/87/67/842928767.db2.gz SIJSNCAIYDTNLT-UHFFFAOYSA-N 1 1 378.432 3.880 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCSC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000430763628 842950375 /nfs/dbraw/zinc/95/03/75/842950375.db2.gz PUJULBCUIQZRFO-HNNXBMFYSA-N 1 1 377.510 3.982 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCSC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000430763628 842950382 /nfs/dbraw/zinc/95/03/82/842950382.db2.gz PUJULBCUIQZRFO-HNNXBMFYSA-N 1 1 377.510 3.982 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3CN3CCOCC3)s2)cc1 ZINC000510629765 843091212 /nfs/dbraw/zinc/09/12/12/843091212.db2.gz AJPKHYYPAGLEIA-GOSISDBHSA-N 1 1 387.505 3.620 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+](CCCO)[C@@H]3CCCc4ccccc43)nc2c1 ZINC000610582391 843092882 /nfs/dbraw/zinc/09/28/82/843092882.db2.gz BSBSGCVYQUPKHP-LJQANCHMSA-N 1 1 381.432 3.998 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302868560 861392296 /nfs/dbraw/zinc/39/22/96/861392296.db2.gz ALAXGXQQDJFQBE-UHFFFAOYSA-N 1 1 380.492 3.911 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247457003 843321629 /nfs/dbraw/zinc/32/16/29/843321629.db2.gz PZASWGBORSEORL-QAPCUYQASA-N 1 1 388.493 3.539 20 5 GHBDMO COc1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000512288072 843331060 /nfs/dbraw/zinc/33/10/60/843331060.db2.gz YCRXTKXGEDSTCP-JOCHJYFZSA-N 1 1 381.476 3.701 20 5 GHBDMO COc1c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000474904678 861413442 /nfs/dbraw/zinc/41/34/42/861413442.db2.gz HDLVGVMBXZIMLD-MRXNPFEDSA-N 1 1 397.475 3.765 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000584678257 843583886 /nfs/dbraw/zinc/58/38/86/843583886.db2.gz JSDHWWSSXMYSTQ-UHFFFAOYSA-N 1 1 383.448 3.905 20 5 GHBDMO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512400456 843661207 /nfs/dbraw/zinc/66/12/07/843661207.db2.gz QNFVLDRSDIOMNT-GOSISDBHSA-N 1 1 396.491 3.853 20 5 GHBDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512400456 843661213 /nfs/dbraw/zinc/66/12/13/843661213.db2.gz QNFVLDRSDIOMNT-GOSISDBHSA-N 1 1 396.491 3.853 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(CC)CC ZINC001167818910 843668957 /nfs/dbraw/zinc/66/89/57/843668957.db2.gz JMJKNDNWQNPCFW-ROUUACIJSA-N 1 1 395.475 3.978 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1cccc(Cl)c1 ZINC000015049910 843824772 /nfs/dbraw/zinc/82/47/72/843824772.db2.gz YTUYGXGXBOXRFI-CYBMUJFWSA-N 1 1 377.828 3.586 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000015049910 843824781 /nfs/dbraw/zinc/82/47/81/843824781.db2.gz YTUYGXGXBOXRFI-CYBMUJFWSA-N 1 1 377.828 3.586 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512480134 843964187 /nfs/dbraw/zinc/96/41/87/843964187.db2.gz LJNONTFAQMWYIS-AUSIDOKSSA-N 1 1 394.519 3.548 20 5 GHBDMO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000126125148 844717451 /nfs/dbraw/zinc/71/74/51/844717451.db2.gz JLYNFDYAJLORIW-HXUWFJFHSA-N 1 1 383.448 3.614 20 5 GHBDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000126125148 844717459 /nfs/dbraw/zinc/71/74/59/844717459.db2.gz JLYNFDYAJLORIW-HXUWFJFHSA-N 1 1 383.448 3.614 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000513248918 845119228 /nfs/dbraw/zinc/11/92/28/845119228.db2.gz KGAFFOAQSUHACO-QFBILLFUSA-N 1 1 399.516 3.856 20 5 GHBDMO CC1(C)C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)c2cc([N+](=O)[O-])ccc21 ZINC000433075932 845189693 /nfs/dbraw/zinc/18/96/93/845189693.db2.gz IKFCJCGOIGLWPF-HNNXBMFYSA-N 1 1 380.491 3.572 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000513319889 845225483 /nfs/dbraw/zinc/22/54/83/845225483.db2.gz FBVLVNLCMSTIBL-UHFFFAOYSA-N 1 1 380.832 3.827 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001126368846 845339174 /nfs/dbraw/zinc/33/91/74/845339174.db2.gz VZWHWZHEARONIJ-QGZVFWFLSA-N 1 1 385.439 3.718 20 5 GHBDMO CC(C)Oc1cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000411445507 845446183 /nfs/dbraw/zinc/44/61/83/845446183.db2.gz ULYVZNZBWPMYGS-INIZCTEOSA-N 1 1 377.485 3.624 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000843815770 861588686 /nfs/dbraw/zinc/58/86/86/861588686.db2.gz XRMJAJLGAUCVGK-RDTXWAMCSA-N 1 1 385.439 3.683 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119639667 845731070 /nfs/dbraw/zinc/73/10/70/845731070.db2.gz XAKCQGUPXDZFHM-LBPRGKRZSA-N 1 1 398.301 3.598 20 5 GHBDMO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cncs1 ZINC000934193249 845733808 /nfs/dbraw/zinc/73/38/08/845733808.db2.gz FOOKWLROWWKAMK-QMMMGPOBSA-N 1 1 389.218 3.507 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000071941820 845891895 /nfs/dbraw/zinc/89/18/95/845891895.db2.gz BQOXJQNNYDVTRW-HNNXBMFYSA-N 1 1 379.526 3.798 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000157805218 846207890 /nfs/dbraw/zinc/20/78/90/846207890.db2.gz AAKYMFIXTDQWCE-OAHLLOKOSA-N 1 1 380.404 3.643 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000421475241 846266972 /nfs/dbraw/zinc/26/69/72/846266972.db2.gz UHFAHSWPOWGINP-MRXNPFEDSA-N 1 1 383.448 3.857 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000511072000 846274723 /nfs/dbraw/zinc/27/47/23/846274723.db2.gz CLBVEYZAAWBVOW-CQSZACIVSA-N 1 1 399.274 3.816 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC3(C2)CCCCCC3)c([N+](=O)[O-])c1 ZINC001167549634 846388796 /nfs/dbraw/zinc/38/87/96/846388796.db2.gz OYLZKQNXLSXKQT-UHFFFAOYSA-N 1 1 375.469 3.978 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCCC3(C2)CCCCCC3)c([N+](=O)[O-])c1 ZINC001167549634 846388808 /nfs/dbraw/zinc/38/88/08/846388808.db2.gz OYLZKQNXLSXKQT-UHFFFAOYSA-N 1 1 375.469 3.978 20 5 GHBDMO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000134972774 846401872 /nfs/dbraw/zinc/40/18/72/846401872.db2.gz YZPUDYJUHOCYQS-ZDUSSCGKSA-N 1 1 382.869 3.509 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000511091498 846638864 /nfs/dbraw/zinc/63/88/64/846638864.db2.gz LWTPOAJOMSDIEQ-UHFFFAOYSA-N 1 1 397.353 3.606 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000511091498 846638871 /nfs/dbraw/zinc/63/88/71/846638871.db2.gz LWTPOAJOMSDIEQ-UHFFFAOYSA-N 1 1 397.353 3.606 20 5 GHBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000548732312 846920629 /nfs/dbraw/zinc/92/06/29/846920629.db2.gz VQIHWAYZTWGXTG-IBGZPJMESA-N 1 1 377.488 3.532 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000501592654 847046218 /nfs/dbraw/zinc/04/62/18/847046218.db2.gz LIKLQJWJLCFGQY-JKSUJKDBSA-N 1 1 392.459 3.811 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccnc4ccnn43)o2)c(Cl)c1 ZINC000478309166 847054627 /nfs/dbraw/zinc/05/46/27/847054627.db2.gz XXFPEMCIXLJQIZ-UHFFFAOYSA-N 1 1 383.795 3.841 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000178569604 847127984 /nfs/dbraw/zinc/12/79/84/847127984.db2.gz KNJPDCVNOPTVQA-UHFFFAOYSA-N 1 1 385.386 3.704 20 5 GHBDMO C[C@H]1C[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC[N@H+]1C ZINC000420488485 847214373 /nfs/dbraw/zinc/21/43/73/847214373.db2.gz QIZXPVHMNDDMJO-JQWIXIFHSA-N 1 1 395.257 3.529 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000277597245 847220861 /nfs/dbraw/zinc/22/08/61/847220861.db2.gz TVDBRPOTKDBBLM-QGZVFWFLSA-N 1 1 375.472 3.840 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000511141980 847421329 /nfs/dbraw/zinc/42/13/29/847421329.db2.gz XXOLNXAMEDQKGA-OAHLLOKOSA-N 1 1 399.274 3.816 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000176682177 847533194 /nfs/dbraw/zinc/53/31/94/847533194.db2.gz NIMDFCIUTMGRAN-INIZCTEOSA-N 1 1 375.400 3.592 20 5 GHBDMO CCn1c(SCCCCn2cc[nH+]c2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000158453455 847538354 /nfs/dbraw/zinc/53/83/54/847538354.db2.gz GRANSHITJNHYHC-UHFFFAOYSA-N 1 1 386.481 3.951 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420939920 847558812 /nfs/dbraw/zinc/55/88/12/847558812.db2.gz CLTFDHOSBIEFRY-GFCCVEGCSA-N 1 1 389.374 3.596 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[NH+](Cc4cccs4)CC3)c2c1 ZINC000016874330 847706697 /nfs/dbraw/zinc/70/66/97/847706697.db2.gz JWDGLPGHKIJBSJ-UHFFFAOYSA-N 1 1 390.490 3.709 20 5 GHBDMO Cc1ccc(Sc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000158593615 847725232 /nfs/dbraw/zinc/72/52/32/847725232.db2.gz JNKFOFXCHOHUCB-UHFFFAOYSA-N 1 1 385.489 3.752 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCC[C@H]3OCc3ccccc3)n2)cc1 ZINC000503526729 847759736 /nfs/dbraw/zinc/75/97/36/847759736.db2.gz RSHQTASLCYFYBM-RTBURBONSA-N 1 1 394.431 3.872 20 5 GHBDMO Cc1ccc(N2CCC(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000187767510 847843068 /nfs/dbraw/zinc/84/30/68/847843068.db2.gz WUISACLERAFKPM-UHFFFAOYSA-N 1 1 382.464 3.820 20 5 GHBDMO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)cn1 ZINC000413608715 847846004 /nfs/dbraw/zinc/84/60/04/847846004.db2.gz AWMONRAHFHTGKA-UHFFFAOYSA-N 1 1 391.269 3.829 20 5 GHBDMO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)nc1 ZINC000413608040 847846568 /nfs/dbraw/zinc/84/65/68/847846568.db2.gz ANLZXBKVVHYNKA-UHFFFAOYSA-N 1 1 391.269 3.829 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000479776484 847853499 /nfs/dbraw/zinc/85/34/99/847853499.db2.gz HOOAFBYMUUETBL-FQEVSTJZSA-N 1 1 382.464 3.935 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)Cc1ccsc1 ZINC000187807970 848282099 /nfs/dbraw/zinc/28/20/99/848282099.db2.gz QALVCCXBIUWOQV-CYBMUJFWSA-N 1 1 377.466 3.557 20 5 GHBDMO C[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612485998 848632668 /nfs/dbraw/zinc/63/26/68/848632668.db2.gz WRIHFLSDUBORPD-YJBOKZPZSA-N 1 1 385.439 3.570 20 5 GHBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000604176463 861934021 /nfs/dbraw/zinc/93/40/21/861934021.db2.gz XYLBTHBNULTJIF-UHFFFAOYSA-N 1 1 380.404 3.712 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000573137449 848885138 /nfs/dbraw/zinc/88/51/38/848885138.db2.gz NYFDKTJEBXFNKQ-HUUCEWRRSA-N 1 1 382.338 3.804 20 5 GHBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000161550955 849141669 /nfs/dbraw/zinc/14/16/69/849141669.db2.gz WUFYEVCVNJLIMD-UHFFFAOYSA-N 1 1 392.799 3.617 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000161550955 849141672 /nfs/dbraw/zinc/14/16/72/849141672.db2.gz WUFYEVCVNJLIMD-UHFFFAOYSA-N 1 1 392.799 3.617 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000015787857 862043359 /nfs/dbraw/zinc/04/33/59/862043359.db2.gz HXKKOFXXTXTGIP-KRWDZBQOSA-N 1 1 393.896 3.759 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3F)C2)ccn1 ZINC000856533254 881342372 /nfs/dbraw/zinc/34/23/72/881342372.db2.gz QRMVHWQFHNCWJU-QGZVFWFLSA-N 1 1 388.443 3.547 20 5 GHBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 ZINC000486777458 850080305 /nfs/dbraw/zinc/08/03/05/850080305.db2.gz IREKITWIWJYQCP-UHFFFAOYSA-N 1 1 399.447 3.564 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)o1 ZINC000506617092 850131406 /nfs/dbraw/zinc/13/14/06/850131406.db2.gz NUYPTQNMKXUEGH-UHFFFAOYSA-N 1 1 383.370 3.925 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)o1 ZINC000506617092 850131411 /nfs/dbraw/zinc/13/14/11/850131411.db2.gz NUYPTQNMKXUEGH-UHFFFAOYSA-N 1 1 383.370 3.925 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000504736290 850264554 /nfs/dbraw/zinc/26/45/54/850264554.db2.gz BBQOGYZKJQZFFW-UHFFFAOYSA-N 1 1 382.464 3.862 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2c(OC)cc(OC)cc2OC)cc1[N+](=O)[O-] ZINC000504900117 850404682 /nfs/dbraw/zinc/40/46/82/850404682.db2.gz RMRCTRCAZNDMFA-CYBMUJFWSA-N 1 1 390.436 3.870 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1cccc(O)c1 ZINC000174617039 850537432 /nfs/dbraw/zinc/53/74/32/850537432.db2.gz CPUKMAKXFDJUHP-LBPRGKRZSA-N 1 1 377.828 3.975 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1cccc(O)c1 ZINC000174617039 850537441 /nfs/dbraw/zinc/53/74/41/850537441.db2.gz CPUKMAKXFDJUHP-LBPRGKRZSA-N 1 1 377.828 3.975 20 5 GHBDMO C[C@H](c1ccncc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000732199279 862141858 /nfs/dbraw/zinc/14/18/58/862141858.db2.gz JKYOCRYGGYJQHJ-CYBMUJFWSA-N 1 1 380.370 3.892 20 5 GHBDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC001167959649 850757612 /nfs/dbraw/zinc/75/76/12/850757612.db2.gz PCAMMSBWULONON-MSOLQXFVSA-N 1 1 377.485 3.839 20 5 GHBDMO CCC[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000246455404 850762482 /nfs/dbraw/zinc/76/24/82/850762482.db2.gz PMRCRNRCKCJVBE-PCCBWWKXSA-N 1 1 375.513 3.794 20 5 GHBDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC001167959658 850785643 /nfs/dbraw/zinc/78/56/43/850785643.db2.gz PCAMMSBWULONON-ZWKOTPCHSA-N 1 1 377.485 3.839 20 5 GHBDMO CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000434230886 850910368 /nfs/dbraw/zinc/91/03/68/850910368.db2.gz YGRQYXDLKXNCBP-DOTOQJQBSA-N 1 1 399.495 3.739 20 5 GHBDMO CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000434230886 850910372 /nfs/dbraw/zinc/91/03/72/850910372.db2.gz YGRQYXDLKXNCBP-DOTOQJQBSA-N 1 1 399.495 3.739 20 5 GHBDMO CNc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000515406751 850987946 /nfs/dbraw/zinc/98/79/46/850987946.db2.gz HIJLZDGGJIMOSC-MRXNPFEDSA-N 1 1 396.491 3.798 20 5 GHBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2N1 ZINC000604472652 862215737 /nfs/dbraw/zinc/21/57/37/862215737.db2.gz ZDTSHUCBGKICBY-KRWDZBQOSA-N 1 1 394.475 3.804 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000570119776 851394901 /nfs/dbraw/zinc/39/49/01/851394901.db2.gz JWJNEUJCXSZFOG-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000570119776 851394903 /nfs/dbraw/zinc/39/49/03/851394903.db2.gz JWJNEUJCXSZFOG-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO CC[N@@H+](CCc1cccs1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488322708 851407706 /nfs/dbraw/zinc/40/77/06/851407706.db2.gz KNQPGSHXMNKIHM-CYBMUJFWSA-N 1 1 377.466 3.557 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3Cc3ccc(F)cc3)o2)cc1 ZINC000515745428 851409941 /nfs/dbraw/zinc/40/99/41/851409941.db2.gz JAMIQMKGMRPZGX-GOSISDBHSA-N 1 1 382.395 3.991 20 5 GHBDMO COc1cc(C[N@H+]2CCSC(C)(C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000434665973 851452069 /nfs/dbraw/zinc/45/20/69/851452069.db2.gz QHSBPZYPXVWVCD-UHFFFAOYSA-N 1 1 376.425 3.922 20 5 GHBDMO CC1CC[NH+]([C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000505798650 851513996 /nfs/dbraw/zinc/51/39/96/851513996.db2.gz FNXBOZNVHBPVLJ-FQEVSTJZSA-N 1 1 383.448 3.503 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000488480546 851551319 /nfs/dbraw/zinc/55/13/19/851551319.db2.gz CWUMLEQYUXKHLP-IFXJQAMLSA-N 1 1 387.867 3.889 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425556195 851931243 /nfs/dbraw/zinc/93/12/43/851931243.db2.gz SHZNLGAARJVOAA-FQEVSTJZSA-N 1 1 387.480 3.513 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000517493436 852010103 /nfs/dbraw/zinc/01/01/03/852010103.db2.gz DUBIDZYOGJIGRT-OAHLLOKOSA-N 1 1 391.537 3.947 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000489344132 852246717 /nfs/dbraw/zinc/24/67/17/852246717.db2.gz XNSFSCJHKMMTOT-FIKGOQFSSA-N 1 1 396.491 3.866 20 5 GHBDMO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)sc1Br ZINC000425983254 852259137 /nfs/dbraw/zinc/25/91/37/852259137.db2.gz ZZAHVVYBTYDFQI-UHFFFAOYSA-N 1 1 385.287 3.761 20 5 GHBDMO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000426781761 852387290 /nfs/dbraw/zinc/38/72/90/852387290.db2.gz DNOXHRJVPZDQRF-GASCZTMLSA-N 1 1 386.477 3.779 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000150801516 852406237 /nfs/dbraw/zinc/40/62/37/852406237.db2.gz DSWAUKKMLOHEIZ-HOTGVXAUSA-N 1 1 393.484 3.599 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000505906373 852546802 /nfs/dbraw/zinc/54/68/02/852546802.db2.gz NQDJQEKVDTUSSC-SJORKVTESA-N 1 1 391.537 3.800 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000438553262 852567565 /nfs/dbraw/zinc/56/75/65/852567565.db2.gz KZCUHHJDSJCNTI-JOCHJYFZSA-N 1 1 379.460 3.564 20 5 GHBDMO C[C@@H]([NH2+]C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000506334545 852776079 /nfs/dbraw/zinc/77/60/79/852776079.db2.gz YOQVHRTWALPJDW-OAHLLOKOSA-N 1 1 383.448 3.694 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437152254 852802099 /nfs/dbraw/zinc/80/20/99/852802099.db2.gz SPHPHBIBIDMANN-INIZCTEOSA-N 1 1 393.365 3.618 20 5 GHBDMO Cc1c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cccc1[N+](=O)[O-] ZINC000052829918 853285994 /nfs/dbraw/zinc/28/59/94/853285994.db2.gz UHVYIWDOLYOAOV-OAHLLOKOSA-N 1 1 388.855 3.802 20 5 GHBDMO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000437590860 853306650 /nfs/dbraw/zinc/30/66/50/853306650.db2.gz ICUPTBDCSKSZAD-SFHVURJKSA-N 1 1 396.447 3.706 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000437590860 853306658 /nfs/dbraw/zinc/30/66/58/853306658.db2.gz ICUPTBDCSKSZAD-SFHVURJKSA-N 1 1 396.447 3.706 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000518411463 853316610 /nfs/dbraw/zinc/31/66/10/853316610.db2.gz XHUSYPFEHAGMKC-CQSZACIVSA-N 1 1 379.526 3.947 20 5 GHBDMO Cc1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000437698193 853434198 /nfs/dbraw/zinc/43/41/98/853434198.db2.gz OESQNDCBRRCEMH-SFHVURJKSA-N 1 1 382.464 3.889 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000519797899 853513366 /nfs/dbraw/zinc/51/33/66/853513366.db2.gz VQLQWAJIIVAHEZ-SFHVURJKSA-N 1 1 397.475 3.521 20 5 GHBDMO CCOc1cc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000426400355 853697794 /nfs/dbraw/zinc/69/77/94/853697794.db2.gz HVAYMUURGFBQPW-CALCHBBNSA-N 1 1 391.512 3.709 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000587978361 854056831 /nfs/dbraw/zinc/05/68/31/854056831.db2.gz VILUNUIBMRZZDD-KGLIPLIRSA-N 1 1 375.498 3.690 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)CC2)[nH+]c1 ZINC000129511482 854206351 /nfs/dbraw/zinc/20/63/51/854206351.db2.gz YOPZKBRPNIJNAQ-UHFFFAOYSA-N 1 1 394.475 3.706 20 5 GHBDMO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000184472383 854365059 /nfs/dbraw/zinc/36/50/59/854365059.db2.gz TUXVQYAJONALIS-OAHLLOKOSA-N 1 1 387.436 3.804 20 5 GHBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000184472383 854365063 /nfs/dbraw/zinc/36/50/63/854365063.db2.gz TUXVQYAJONALIS-OAHLLOKOSA-N 1 1 387.436 3.804 20 5 GHBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc2C1 ZINC000133472176 862559936 /nfs/dbraw/zinc/55/99/36/862559936.db2.gz SVIFDLKGWDWMTF-UHFFFAOYSA-N 1 1 379.338 3.706 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc2C1 ZINC000133472176 862559949 /nfs/dbraw/zinc/55/99/49/862559949.db2.gz SVIFDLKGWDWMTF-UHFFFAOYSA-N 1 1 379.338 3.706 20 5 GHBDMO COc1ccc(OCCN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000441429421 854605252 /nfs/dbraw/zinc/60/52/52/854605252.db2.gz OSWOUKJTAIFAAK-GOSISDBHSA-N 1 1 399.491 3.579 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCn3ccc4cc(Cl)ccc43)C2)nc1 ZINC000589256237 854763499 /nfs/dbraw/zinc/76/34/99/854763499.db2.gz VOHWDHDFYQFVLR-INIZCTEOSA-N 1 1 385.855 3.784 20 5 GHBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000589341428 854798903 /nfs/dbraw/zinc/79/89/03/854798903.db2.gz DYHGCEKXWIOSIA-SJORKVTESA-N 1 1 398.438 3.720 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248389084 854839177 /nfs/dbraw/zinc/83/91/77/854839177.db2.gz ALBZNSCGAKWPFX-JYJNAYRXSA-N 1 1 391.537 3.845 20 5 GHBDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000732979053 862634399 /nfs/dbraw/zinc/63/43/99/862634399.db2.gz CURYCYJPUDKECO-FQEVSTJZSA-N 1 1 396.447 3.650 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000056851741 855099284 /nfs/dbraw/zinc/09/92/84/855099284.db2.gz DRIRPOPDEXZEAJ-MNOVXSKESA-N 1 1 379.363 3.559 20 5 GHBDMO Cc1nn(C)c(N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000301583645 855253062 /nfs/dbraw/zinc/25/30/62/855253062.db2.gz UINPPRIOIKFIQJ-UHFFFAOYSA-N 1 1 383.496 3.662 20 5 GHBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273409094 855347528 /nfs/dbraw/zinc/34/75/28/855347528.db2.gz HZTVDBUSJVJUIO-QFBILLFUSA-N 1 1 387.411 3.525 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000590537221 855488596 /nfs/dbraw/zinc/48/85/96/855488596.db2.gz DOSBEWOPQBEDNE-RBUKOAKNSA-N 1 1 399.422 3.645 20 5 GHBDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000573089282 855860446 /nfs/dbraw/zinc/86/04/46/855860446.db2.gz BCVNPZCLCIRTER-MRXNPFEDSA-N 1 1 391.855 3.997 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC3(CCOCC3)[C@@H]1c1ccccc1)OCCO2 ZINC000591265976 855873134 /nfs/dbraw/zinc/87/31/34/855873134.db2.gz ANZKDVIBTSOOBF-NRFANRHFSA-N 1 1 396.443 3.720 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC3(CCOCC3)[C@@H]1c1ccccc1)OCCO2 ZINC000591265976 855873140 /nfs/dbraw/zinc/87/31/40/855873140.db2.gz ANZKDVIBTSOOBF-NRFANRHFSA-N 1 1 396.443 3.720 20 5 GHBDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000485196924 856216831 /nfs/dbraw/zinc/21/68/31/856216831.db2.gz MOKXKNBEATXSAD-TZMCWYRMSA-N 1 1 391.269 4.000 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000485196924 856216834 /nfs/dbraw/zinc/21/68/34/856216834.db2.gz MOKXKNBEATXSAD-TZMCWYRMSA-N 1 1 391.269 4.000 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153844959 856421420 /nfs/dbraw/zinc/42/14/20/856421420.db2.gz QQDVLFYPTBZONN-KHYOSLBOSA-N 1 1 389.521 3.551 20 5 GHBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485399318 856446684 /nfs/dbraw/zinc/44/66/84/856446684.db2.gz BJFCGTMANNXZKI-OAHLLOKOSA-N 1 1 395.438 3.989 20 5 GHBDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000172942325 856675405 /nfs/dbraw/zinc/67/54/05/856675405.db2.gz XOXVSBRJOSWAFS-NRFANRHFSA-N 1 1 396.468 3.878 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000249876613 856744853 /nfs/dbraw/zinc/74/48/53/856744853.db2.gz MBGAXEWOYCFXKP-NVXWUHKLSA-N 1 1 383.448 3.728 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000245452190 856873934 /nfs/dbraw/zinc/87/39/34/856873934.db2.gz QDOGIOOWRBVTMQ-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000245452190 856873938 /nfs/dbraw/zinc/87/39/38/856873938.db2.gz QDOGIOOWRBVTMQ-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301670072 856896489 /nfs/dbraw/zinc/89/64/89/856896489.db2.gz NVZBCRAXZHDIBR-HNNXBMFYSA-N 1 1 399.495 3.725 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC001128905736 856939951 /nfs/dbraw/zinc/93/99/51/856939951.db2.gz GIZFMXDINQQKCB-QHCPKHFHSA-N 1 1 393.487 3.950 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)O1 ZINC000245551621 856954577 /nfs/dbraw/zinc/95/45/77/856954577.db2.gz BPGJPQLIKYHOMF-KKSFZXQISA-N 1 1 392.459 3.957 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)O1 ZINC000245551621 856954582 /nfs/dbraw/zinc/95/45/82/856954582.db2.gz BPGJPQLIKYHOMF-KKSFZXQISA-N 1 1 392.459 3.957 20 5 GHBDMO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428036620 857024850 /nfs/dbraw/zinc/02/48/50/857024850.db2.gz XSLADNSGWAEPJZ-UHFFFAOYSA-N 1 1 383.448 3.606 20 5 GHBDMO CCCC[N@H+](C)CC1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000134161536 862868502 /nfs/dbraw/zinc/86/85/02/862868502.db2.gz OUSXRMZNYBQPHZ-UHFFFAOYSA-N 1 1 379.501 3.556 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000134161536 862868527 /nfs/dbraw/zinc/86/85/27/862868527.db2.gz OUSXRMZNYBQPHZ-UHFFFAOYSA-N 1 1 379.501 3.556 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000843777858 857115303 /nfs/dbraw/zinc/11/53/03/857115303.db2.gz CQUZSCWCAQJJSE-CQSZACIVSA-N 1 1 391.468 3.746 20 5 GHBDMO Cc1cccc(C(=O)N2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000124734877 857189780 /nfs/dbraw/zinc/18/97/80/857189780.db2.gz LHXRGDBBHDBSEA-UHFFFAOYSA-N 1 1 397.475 3.520 20 5 GHBDMO O=C(NC1CC1)c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000059386686 862881955 /nfs/dbraw/zinc/88/19/55/862881955.db2.gz MLELVUAJUPMDEV-LJQANCHMSA-N 1 1 394.475 3.564 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000174005398 857196729 /nfs/dbraw/zinc/19/67/29/857196729.db2.gz SHZAHEVDKCLEPJ-FOIQADDNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000174005398 857196734 /nfs/dbraw/zinc/19/67/34/857196734.db2.gz SHZAHEVDKCLEPJ-FOIQADDNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245944113 857205109 /nfs/dbraw/zinc/20/51/09/857205109.db2.gz NIQKJCFPUAJMFR-OXJNMPFZSA-N 1 1 381.476 3.615 20 5 GHBDMO COc1ccc([C@@H](NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000429248706 857212510 /nfs/dbraw/zinc/21/25/10/857212510.db2.gz WYUQCGJJPYZFND-NRFANRHFSA-N 1 1 397.475 3.696 20 5 GHBDMO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174230912 857229259 /nfs/dbraw/zinc/22/92/59/857229259.db2.gz IEBWTLMHOCFQAX-QWHCGFSZSA-N 1 1 375.400 3.729 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978596 857243341 /nfs/dbraw/zinc/24/33/41/857243341.db2.gz VOVMTEFLWWVDCY-UHFFFAOYSA-N 1 1 383.448 3.850 20 5 GHBDMO CC[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000046310140 857263452 /nfs/dbraw/zinc/26/34/52/857263452.db2.gz LWYBJICTJHMPMR-HXUWFJFHSA-N 1 1 396.491 3.573 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000246430609 857374420 /nfs/dbraw/zinc/37/44/20/857374420.db2.gz KHSCGZBNINWRNT-KBXCAEBGSA-N 1 1 389.477 3.755 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000246430609 857374426 /nfs/dbraw/zinc/37/44/26/857374426.db2.gz KHSCGZBNINWRNT-KBXCAEBGSA-N 1 1 389.477 3.755 20 5 GHBDMO CCOc1ccc([C@@H](C)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592403190 857379278 /nfs/dbraw/zinc/37/92/78/857379278.db2.gz NFWBDFWFPFYYOF-AHRSYUTCSA-N 1 1 383.492 3.990 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000246683668 857431519 /nfs/dbraw/zinc/43/15/19/857431519.db2.gz XZORRPZPJHPSNZ-PXAZEXFGSA-N 1 1 377.441 3.608 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c(Cl)c1 ZINC000301737882 857476719 /nfs/dbraw/zinc/47/67/19/857476719.db2.gz VYRIKIGEBCEZRH-DNVCBOLYSA-N 1 1 375.856 3.543 20 5 GHBDMO CN(C)c1[nH+]ccc2cc(NC(=O)CCNc3ccccc3[N+](=O)[O-])ccc21 ZINC001129121120 857662944 /nfs/dbraw/zinc/66/29/44/857662944.db2.gz YJWJXKGTRIDWOR-UHFFFAOYSA-N 1 1 379.420 3.650 20 5 GHBDMO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000499622367 857818954 /nfs/dbraw/zinc/81/89/54/857818954.db2.gz OWSYGQCXNPCBJH-UHFFFAOYSA-N 1 1 394.475 3.517 20 5 GHBDMO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1SC ZINC000486523941 857823150 /nfs/dbraw/zinc/82/31/50/857823150.db2.gz DLODGQUKSMNLQW-UHFFFAOYSA-N 1 1 395.525 3.662 20 5 GHBDMO COc1cc(C[N@H+](C)CCOc2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000027348007 857885250 /nfs/dbraw/zinc/88/52/50/857885250.db2.gz XWHQDZWZMILANF-UHFFFAOYSA-N 1 1 382.363 3.716 20 5 GHBDMO COc1cc(C[N@@H+](C)CCOc2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000027348007 857885255 /nfs/dbraw/zinc/88/52/55/857885255.db2.gz XWHQDZWZMILANF-UHFFFAOYSA-N 1 1 382.363 3.716 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCCO)[C@@H]3CCc4ccccc43)n2)c1 ZINC000114193599 857935715 /nfs/dbraw/zinc/93/57/15/857935715.db2.gz CLLDJVHSIGULHC-LJQANCHMSA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCCO)[C@@H]3CCc4ccccc43)n2)c1 ZINC000114193599 857935719 /nfs/dbraw/zinc/93/57/19/857935719.db2.gz CLLDJVHSIGULHC-LJQANCHMSA-N 1 1 394.431 3.517 20 5 GHBDMO C[C@H](O)C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594616870 858232617 /nfs/dbraw/zinc/23/26/17/858232617.db2.gz WSZVSQKWDUMFTN-INIZCTEOSA-N 1 1 392.459 3.793 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000439088830 858251143 /nfs/dbraw/zinc/25/11/43/858251143.db2.gz IORXYXRFQHKQKU-GOSISDBHSA-N 1 1 388.512 3.753 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000595008541 858364500 /nfs/dbraw/zinc/36/45/00/858364500.db2.gz VBISRZHWKCICBQ-OAHLLOKOSA-N 1 1 383.448 3.577 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000067060576 858414652 /nfs/dbraw/zinc/41/46/52/858414652.db2.gz YFWVQEFQOMOLHB-UHFFFAOYSA-N 1 1 396.491 3.648 20 5 GHBDMO C[C@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000595251015 858441483 /nfs/dbraw/zinc/44/14/83/858441483.db2.gz WJDLGVOKLGGFCU-QMMMGPOBSA-N 1 1 396.266 3.513 20 5 GHBDMO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000301877448 858456684 /nfs/dbraw/zinc/45/66/84/858456684.db2.gz HCTHYDPJITVKCU-DOTOQJQBSA-N 1 1 378.335 3.639 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000301877448 858456692 /nfs/dbraw/zinc/45/66/92/858456692.db2.gz HCTHYDPJITVKCU-DOTOQJQBSA-N 1 1 378.335 3.639 20 5 GHBDMO COc1ccc(C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000595354051 858516660 /nfs/dbraw/zinc/51/66/60/858516660.db2.gz MAXGIJPQNYJHPZ-LJQANCHMSA-N 1 1 397.431 3.982 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccccc2OC(F)F)c1 ZINC000593017882 858536939 /nfs/dbraw/zinc/53/69/39/858536939.db2.gz CSRGQKXBOBSEGR-NSHDSACASA-N 1 1 380.347 3.834 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C)cc1 ZINC000522030989 858549614 /nfs/dbraw/zinc/54/96/14/858549614.db2.gz UCGKYZSPSXMDHC-QGZVFWFLSA-N 1 1 388.464 3.644 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595756556 858676703 /nfs/dbraw/zinc/67/67/03/858676703.db2.gz GWTUNHFSSFGDDO-RBDMOPTHSA-N 1 1 395.459 3.551 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595756556 858676704 /nfs/dbraw/zinc/67/67/04/858676704.db2.gz GWTUNHFSSFGDDO-RBDMOPTHSA-N 1 1 395.459 3.551 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)F)ccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000596062244 858768133 /nfs/dbraw/zinc/76/81/33/858768133.db2.gz OMLSZYOWFXHEGG-UHFFFAOYSA-N 1 1 377.391 3.977 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000080046326 858771537 /nfs/dbraw/zinc/77/15/37/858771537.db2.gz AINOMJCRUHZTTO-INIZCTEOSA-N 1 1 376.501 3.809 20 5 GHBDMO Cc1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)nn1 ZINC000596082089 858776765 /nfs/dbraw/zinc/77/67/65/858776765.db2.gz GAYASDJCJDXOLL-UHFFFAOYSA-N 1 1 395.488 3.744 20 5 GHBDMO O=c1[nH]ccc(N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000596156980 858808317 /nfs/dbraw/zinc/80/83/17/858808317.db2.gz VOPUMXKTTDFCLI-UHFFFAOYSA-N 1 1 382.464 3.721 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128731938 858856103 /nfs/dbraw/zinc/85/61/03/858856103.db2.gz YAHVBGDOXPTCAS-AWEZNQCLSA-N 1 1 389.427 3.634 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)ccn1 ZINC000856536501 881352666 /nfs/dbraw/zinc/35/26/66/881352666.db2.gz WAASNCSCKXBIQU-SFHVURJKSA-N 1 1 388.443 3.627 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000596633791 858989633 /nfs/dbraw/zinc/98/96/33/858989633.db2.gz BVMLCAXMHNYPRQ-LJQANCHMSA-N 1 1 382.464 3.684 20 5 GHBDMO CCOc1ccccc1N1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170329521 881368169 /nfs/dbraw/zinc/36/81/69/881368169.db2.gz QJPMWBLKRHRNLX-QGZVFWFLSA-N 1 1 399.491 3.755 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000550525506 858995805 /nfs/dbraw/zinc/99/58/05/858995805.db2.gz GPRCTRLFDPQAIP-AWEZNQCLSA-N 1 1 393.285 3.688 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000550525506 858995813 /nfs/dbraw/zinc/99/58/13/858995813.db2.gz GPRCTRLFDPQAIP-AWEZNQCLSA-N 1 1 393.285 3.688 20 5 GHBDMO COc1ccc2cc(C[N@@H+](C)C[C@@H](O)COc3cccc([N+](=O)[O-])c3)ccc2c1 ZINC000025233914 858996330 /nfs/dbraw/zinc/99/63/30/858996330.db2.gz OURDIRHKLORUPJ-HXUWFJFHSA-N 1 1 396.443 3.628 20 5 GHBDMO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000248540536 859131469 /nfs/dbraw/zinc/13/14/69/859131469.db2.gz BGLFRZKLKONXNL-ZOBUZTSGSA-N 1 1 399.495 3.948 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)c([N+](=O)[O-])c1 ZINC001170352624 881387255 /nfs/dbraw/zinc/38/72/55/881387255.db2.gz OUSRZOGMZMNRDT-GOEBONIOSA-N 1 1 388.468 3.920 20 5 GHBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC(C)(C)C1 ZINC000483122289 859152725 /nfs/dbraw/zinc/15/27/25/859152725.db2.gz NUZIVTMGNIGNKH-GFCCVEGCSA-N 1 1 384.274 3.806 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596955483 859193284 /nfs/dbraw/zinc/19/32/84/859193284.db2.gz RALBZJUWURWKHJ-NRFANRHFSA-N 1 1 394.475 3.543 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000543644933 859197762 /nfs/dbraw/zinc/19/77/62/859197762.db2.gz SVNRNUYQACXUFF-DLBZAZTESA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000543644933 859197765 /nfs/dbraw/zinc/19/77/65/859197765.db2.gz SVNRNUYQACXUFF-DLBZAZTESA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000543644935 859197840 /nfs/dbraw/zinc/19/78/40/859197840.db2.gz SVNRNUYQACXUFF-IAGOWNOFSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000543644935 859197845 /nfs/dbraw/zinc/19/78/45/859197845.db2.gz SVNRNUYQACXUFF-IAGOWNOFSA-N 1 1 392.818 3.954 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)o2)c(Br)c1 ZINC000597212565 859350095 /nfs/dbraw/zinc/35/00/95/859350095.db2.gz VOMBJEQWVCGVMS-APPDUMDISA-N 1 1 393.237 3.574 20 5 GHBDMO CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127775672 859486233 /nfs/dbraw/zinc/48/62/33/859486233.db2.gz GIZVVHUGCWIPLL-YPAWHYETSA-N 1 1 393.487 3.821 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cccc(N(C)C)n3)o2)c([N+](=O)[O-])c1 ZINC000611108454 859613188 /nfs/dbraw/zinc/61/31/88/859613188.db2.gz XYNGHTRPLGLYTL-UHFFFAOYSA-N 1 1 382.420 3.614 20 5 GHBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000483844079 859657506 /nfs/dbraw/zinc/65/75/06/859657506.db2.gz ANNZHDWTJAMMDD-OAQYLSRUSA-N 1 1 398.438 3.864 20 5 GHBDMO Cc1nn(CN2CCC[N@@H+](CC3CCCCC3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764945055 859702591 /nfs/dbraw/zinc/70/25/91/859702591.db2.gz MRAAHHVEVRHUPG-UHFFFAOYSA-N 1 1 385.512 3.798 20 5 GHBDMO COC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345449 881454088 /nfs/dbraw/zinc/45/40/88/881454088.db2.gz KTPUYMRSEPIDQZ-INIZCTEOSA-N 1 1 386.448 3.600 20 5 GHBDMO CC(C)NC(=O)c1ccc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000611370393 859725317 /nfs/dbraw/zinc/72/53/17/859725317.db2.gz LSXWGUOWVGAZCA-SOLBZPMBSA-N 1 1 388.512 3.575 20 5 GHBDMO COCCOc1ccc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1OC ZINC000611379892 859729036 /nfs/dbraw/zinc/72/90/36/859729036.db2.gz KDNYWKFVMVBYAO-ZDUSSCGKSA-N 1 1 378.400 3.619 20 5 GHBDMO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543459166 859777767 /nfs/dbraw/zinc/77/77/67/859777767.db2.gz QRQURJLUJPRQTP-MAUKXSAKSA-N 1 1 385.439 3.570 20 5 GHBDMO O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611488285 859782908 /nfs/dbraw/zinc/78/29/08/859782908.db2.gz VVAPWZGDURPCCF-KRWDZBQOSA-N 1 1 394.475 3.991 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4CC[N@H+](C)C[C@H]43)c([N+](=O)[O-])c2)cc1 ZINC000611510237 859790859 /nfs/dbraw/zinc/79/08/59/859790859.db2.gz QMYBMVKOHNWESV-HRAATJIYSA-N 1 1 394.475 3.686 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)nccc2NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000593455904 859863298 /nfs/dbraw/zinc/86/32/98/859863298.db2.gz YNTOJGNMJKUOOU-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000474351535 859905176 /nfs/dbraw/zinc/90/51/76/859905176.db2.gz NDFHAWFUDNCHTL-LBPRGKRZSA-N 1 1 378.812 3.651 20 5 GHBDMO C[N@@H+](Cc1ccc2nc(NC(=O)Cc3cccc([N+](=O)[O-])c3)sc2c1)C1CC1 ZINC000598031024 860012258 /nfs/dbraw/zinc/01/22/58/860012258.db2.gz WFNWXXKGABIUFW-UHFFFAOYSA-N 1 1 396.472 3.980 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218481 860164682 /nfs/dbraw/zinc/16/46/82/860164682.db2.gz GDFXAYMNKBYDRT-CQSZACIVSA-N 1 1 377.510 3.844 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000602673605 860192086 /nfs/dbraw/zinc/19/20/86/860192086.db2.gz ABEHJLRBLUCRGB-KRWDZBQOSA-N 1 1 395.381 3.792 20 5 GHBDMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000484640697 860192506 /nfs/dbraw/zinc/19/25/06/860192506.db2.gz HCPURYQKCWWSCW-CQSZACIVSA-N 1 1 379.416 3.923 20 5 GHBDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000484640697 860192513 /nfs/dbraw/zinc/19/25/13/860192513.db2.gz HCPURYQKCWWSCW-CQSZACIVSA-N 1 1 379.416 3.923 20 5 GHBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602694420 860207042 /nfs/dbraw/zinc/20/70/42/860207042.db2.gz RHXCGCXTVQZJDW-HNNXBMFYSA-N 1 1 385.386 3.591 20 5 GHBDMO Cc1c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cccc1[N+](=O)[O-] ZINC000598395922 860276791 /nfs/dbraw/zinc/27/67/91/860276791.db2.gz GMQVLIGSIMOLDM-IBGZPJMESA-N 1 1 393.487 3.935 20 5 GHBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000598395598 860278441 /nfs/dbraw/zinc/27/84/41/860278441.db2.gz FDGCPPKYKYOHOV-IBGZPJMESA-N 1 1 379.460 3.627 20 5 GHBDMO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(F)ccc1OC ZINC000922621164 860329193 /nfs/dbraw/zinc/32/91/93/860329193.db2.gz JTXBNCORPNFTNP-QGZVFWFLSA-N 1 1 376.384 3.850 20 5 GHBDMO C[N@H+](CCC(=O)OC(C)(C)C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093686517 860330423 /nfs/dbraw/zinc/33/04/23/860330423.db2.gz GKAQXFJRRQAOSV-UHFFFAOYSA-N 1 1 377.466 3.882 20 5 GHBDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093686517 860330434 /nfs/dbraw/zinc/33/04/34/860330434.db2.gz GKAQXFJRRQAOSV-UHFFFAOYSA-N 1 1 377.466 3.882 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](c4ccc5cccnc5n4)C3)nc2c1 ZINC000602884069 860336439 /nfs/dbraw/zinc/33/64/39/860336439.db2.gz BICQRVNUVMKZJO-AWEZNQCLSA-N 1 1 375.388 3.669 20 5 GHBDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000093754026 860342962 /nfs/dbraw/zinc/34/29/62/860342962.db2.gz FMONKYGHBNPYBH-AWEZNQCLSA-N 1 1 394.855 3.993 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](Nc4ccccc4)C3)n2)cc1 ZINC000155087635 860392624 /nfs/dbraw/zinc/39/26/24/860392624.db2.gz XAVHRYMCZKPBEU-QGZVFWFLSA-N 1 1 379.420 3.721 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](Nc4ccccc4)C3)n2)cc1 ZINC000155087635 860392638 /nfs/dbraw/zinc/39/26/38/860392638.db2.gz XAVHRYMCZKPBEU-QGZVFWFLSA-N 1 1 379.420 3.721 20 5 GHBDMO CCO[C@@H](CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000552250123 860405976 /nfs/dbraw/zinc/40/59/76/860405976.db2.gz VNVJZOKQLSAPKD-VQTJNVASSA-N 1 1 386.496 3.993 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000155237962 860451695 /nfs/dbraw/zinc/45/16/95/860451695.db2.gz HYBORFYRXRXTRC-INIZCTEOSA-N 1 1 392.459 3.813 20 5 GHBDMO Cc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000552336741 860511342 /nfs/dbraw/zinc/51/13/42/860511342.db2.gz IOFBVUSDULLICL-JOCHJYFZSA-N 1 1 379.460 3.641 20 5 GHBDMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000061012616 860541770 /nfs/dbraw/zinc/54/17/70/860541770.db2.gz XHVRHTOPVJMKTL-HXUWFJFHSA-N 1 1 399.491 3.756 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000061012616 860541778 /nfs/dbraw/zinc/54/17/78/860541778.db2.gz XHVRHTOPVJMKTL-HXUWFJFHSA-N 1 1 399.491 3.756 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000132635523 860579125 /nfs/dbraw/zinc/57/91/25/860579125.db2.gz DAZKZVMMHVSSQV-DYVFJYSZSA-N 1 1 395.381 3.858 20 5 GHBDMO COc1cc(C[N@@H+](C)CCn2cccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000125322998 860638681 /nfs/dbraw/zinc/63/86/81/860638681.db2.gz WFJLZTGIMSSRBX-UHFFFAOYSA-N 1 1 396.447 3.511 20 5 GHBDMO COc1ccc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000125648932 860733998 /nfs/dbraw/zinc/73/39/98/860733998.db2.gz BRKQQTLGULANLR-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000125648932 860734006 /nfs/dbraw/zinc/73/40/06/860734006.db2.gz BRKQQTLGULANLR-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000474774030 860750287 /nfs/dbraw/zinc/75/02/87/860750287.db2.gz ISAZJHXAHSCCKJ-UHFFFAOYSA-N 1 1 385.306 3.701 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000153021604 881579362 /nfs/dbraw/zinc/57/93/62/881579362.db2.gz SCYFHSFBESKOHB-UHFFFAOYSA-N 1 1 384.823 3.899 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000482472056 863181353 /nfs/dbraw/zinc/18/13/53/863181353.db2.gz WNNLXLIZSWKPLT-OAQYLSRUSA-N 1 1 392.459 3.717 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765311 863533444 /nfs/dbraw/zinc/53/34/44/863533444.db2.gz PWSJLVRIJXIDDJ-UTKZUKDTSA-N 1 1 383.492 3.971 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](C)CC(C)(C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000444173405 863591912 /nfs/dbraw/zinc/59/19/12/863591912.db2.gz ZCUWIUFOHLXUGD-UHFFFAOYSA-N 1 1 385.464 3.760 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000444173405 863591919 /nfs/dbraw/zinc/59/19/19/863591919.db2.gz ZCUWIUFOHLXUGD-UHFFFAOYSA-N 1 1 385.464 3.760 20 5 GHBDMO CC1CCC([N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]2CCCO2)CC1 ZINC000444218909 863692907 /nfs/dbraw/zinc/69/29/07/863692907.db2.gz YKIXTBGOEBIOBS-JCYILVPMSA-N 1 1 375.469 3.593 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000137467578 863980145 /nfs/dbraw/zinc/98/01/45/863980145.db2.gz FSPVQHOCJWSMBJ-YOEHRIQHSA-N 1 1 387.867 3.570 20 5 GHBDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000734145089 864033511 /nfs/dbraw/zinc/03/35/11/864033511.db2.gz JQZIQHPAYBRTSC-FQEVSTJZSA-N 1 1 377.448 3.826 20 5 GHBDMO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184328946 864370032 /nfs/dbraw/zinc/37/00/32/864370032.db2.gz KNLLYZVLLNRLIA-WMZOPIPTSA-N 1 1 399.466 3.818 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792901422 881787374 /nfs/dbraw/zinc/78/73/74/881787374.db2.gz CELKPQYUWZAUIC-GOEBONIOSA-N 1 1 386.279 3.748 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000763762275 865452523 /nfs/dbraw/zinc/45/25/23/865452523.db2.gz NGDUKLLDUPUOAD-HNNXBMFYSA-N 1 1 377.460 3.851 20 5 GHBDMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)s1 ZINC000185277953 865895520 /nfs/dbraw/zinc/89/55/20/865895520.db2.gz VKIRKCYCSYKVDJ-HNNXBMFYSA-N 1 1 380.857 3.693 20 5 GHBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000185424642 866090807 /nfs/dbraw/zinc/09/08/07/866090807.db2.gz LDIDANVNUGCCKW-HNNXBMFYSA-N 1 1 377.510 3.559 20 5 GHBDMO Cc1cccc(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000523095310 866101744 /nfs/dbraw/zinc/10/17/44/866101744.db2.gz SOFCQXFXDHJWIK-HOTGVXAUSA-N 1 1 383.448 3.765 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000741123458 866249442 /nfs/dbraw/zinc/24/94/42/866249442.db2.gz GQFURPKGNULQCN-YLJYHZDGSA-N 1 1 384.432 3.762 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cc(F)c(F)c(F)c1 ZINC000130052401 866327269 /nfs/dbraw/zinc/32/72/69/866327269.db2.gz XDPKTEFTUKAZGN-UHFFFAOYSA-N 1 1 385.317 3.612 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534245666 866364918 /nfs/dbraw/zinc/36/49/18/866364918.db2.gz JJRGXXNDCKZEEC-HOTGVXAUSA-N 1 1 384.480 3.803 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000183295784 866575420 /nfs/dbraw/zinc/57/54/20/866575420.db2.gz GRCWSRYMJYXPGN-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000183295784 866575438 /nfs/dbraw/zinc/57/54/38/866575438.db2.gz GRCWSRYMJYXPGN-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475699137 882017271 /nfs/dbraw/zinc/01/72/71/882017271.db2.gz RYDYWCZIQIITDW-GOSISDBHSA-N 1 1 398.459 3.601 20 5 GHBDMO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(-n2cccn2)c1 ZINC000183590968 866877193 /nfs/dbraw/zinc/87/71/93/866877193.db2.gz KRNBEFQCQDMNPQ-AWEZNQCLSA-N 1 1 390.403 3.681 20 5 GHBDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000534472505 866877358 /nfs/dbraw/zinc/87/73/58/866877358.db2.gz CODFZYLLJXTRFM-KRWDZBQOSA-N 1 1 380.448 3.796 20 5 GHBDMO CC(=O)c1ccc2c(c1)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000534475965 866880969 /nfs/dbraw/zinc/88/09/69/866880969.db2.gz YCKGXTUBCGEUJM-UHFFFAOYSA-N 1 1 395.459 3.535 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000553212852 866970807 /nfs/dbraw/zinc/97/08/07/866970807.db2.gz YLBWPRBEYWVHGH-FQEVSTJZSA-N 1 1 393.443 3.768 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)nc1-c1ccncc1 ZINC000742146681 867079335 /nfs/dbraw/zinc/07/93/35/867079335.db2.gz WGMLDRTYWJSHSB-GOSISDBHSA-N 1 1 381.411 3.657 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000444894649 867452796 /nfs/dbraw/zinc/45/27/96/867452796.db2.gz AXRDXGRFTMKHDE-MRXNPFEDSA-N 1 1 392.843 3.681 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Cc1ccccc1 ZINC000445199048 867941290 /nfs/dbraw/zinc/94/12/90/867941290.db2.gz XBWLIMPGAQWQMY-UHFFFAOYSA-N 1 1 385.467 3.543 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857252814 882146835 /nfs/dbraw/zinc/14/68/35/882146835.db2.gz DSEYQXPHUJIIMY-HXUWFJFHSA-N 1 1 381.476 3.719 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000553795372 868242970 /nfs/dbraw/zinc/24/29/70/868242970.db2.gz DOIYNHTXWHCUFY-IBGZPJMESA-N 1 1 377.510 3.511 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000553950893 868521469 /nfs/dbraw/zinc/52/14/69/868521469.db2.gz JWAQKEKVEDYIGM-SJORKVTESA-N 1 1 399.491 3.718 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)c1 ZINC000445572410 868653658 /nfs/dbraw/zinc/65/36/58/868653658.db2.gz DPEDPSYNNTZSLL-LJQANCHMSA-N 1 1 394.431 3.914 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)c1 ZINC000445572410 868653673 /nfs/dbraw/zinc/65/36/73/868653673.db2.gz DPEDPSYNNTZSLL-LJQANCHMSA-N 1 1 394.431 3.914 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000744393980 868787663 /nfs/dbraw/zinc/78/76/63/868787663.db2.gz WHCQMAYYMPLAJS-WIYYLYMNSA-N 1 1 386.448 3.570 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000480022924 868890979 /nfs/dbraw/zinc/89/09/79/868890979.db2.gz WINYIGODLZCUJN-LJQANCHMSA-N 1 1 386.427 3.766 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000462435712 869453759 /nfs/dbraw/zinc/45/37/59/869453759.db2.gz JREMNALHDWHZTE-IBGZPJMESA-N 1 1 395.503 3.728 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000462503021 869565978 /nfs/dbraw/zinc/56/59/78/869565978.db2.gz QJDJWVUXAIGVHI-XLIONFOSSA-N 1 1 383.492 3.800 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000446224630 869566725 /nfs/dbraw/zinc/56/67/25/869566725.db2.gz GFVDOQMEBXZCDC-CJNGLKHVSA-N 1 1 377.872 3.646 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000539672409 869589460 /nfs/dbraw/zinc/58/94/60/869589460.db2.gz WHUYVMCVJVJAAA-UONOGXRCSA-N 1 1 377.510 3.842 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)c([N+](=O)[O-])cc1OC ZINC000462763127 870023719 /nfs/dbraw/zinc/02/37/19/870023719.db2.gz QRQPMOJGBAVEII-UHFFFAOYSA-N 1 1 396.403 3.667 20 5 GHBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000746107023 870049626 /nfs/dbraw/zinc/04/96/26/870049626.db2.gz VRWHFIKMSAVRTL-HUUCEWRRSA-N 1 1 397.431 3.625 20 5 GHBDMO COc1cc(NCCCCN2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000462773121 870069046 /nfs/dbraw/zinc/06/90/46/870069046.db2.gz FMTVCZSLRLIZAD-UHFFFAOYSA-N 1 1 398.507 3.613 20 5 GHBDMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000462786706 870080022 /nfs/dbraw/zinc/08/00/22/870080022.db2.gz AXLFTJAFCNFKBE-QGZVFWFLSA-N 1 1 398.463 3.632 20 5 GHBDMO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000441073517 870162555 /nfs/dbraw/zinc/16/25/55/870162555.db2.gz SGHAGORZAYEYNH-VGSWGCGISA-N 1 1 376.460 3.870 20 5 GHBDMO CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446833941 870512764 /nfs/dbraw/zinc/51/27/64/870512764.db2.gz IRJKNLNDZLEXGM-UHFFFAOYSA-N 1 1 382.420 3.716 20 5 GHBDMO C[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000446838887 870559600 /nfs/dbraw/zinc/55/96/00/870559600.db2.gz NBWXLIBJDCJVBO-WBVHZDCISA-N 1 1 379.464 3.614 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@](CO)(c4ccccc4)C3)o2)c1 ZINC000463037573 870718747 /nfs/dbraw/zinc/71/87/47/870718747.db2.gz WKHGHHFKRZAIBW-JOCHJYFZSA-N 1 1 378.428 3.991 20 5 GHBDMO C[C@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000540340479 871066723 /nfs/dbraw/zinc/06/67/23/871066723.db2.gz JTKOQOHVKPOGLT-HNNXBMFYSA-N 1 1 382.464 3.671 20 5 GHBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)C1 ZINC001169024860 871126217 /nfs/dbraw/zinc/12/62/17/871126217.db2.gz RPVNFBPLKXSUKD-QRQLOZEOSA-N 1 1 379.451 3.670 20 5 GHBDMO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169055832 871137368 /nfs/dbraw/zinc/13/73/68/871137368.db2.gz QTZYKEKAMWCYFN-FPOVZHCZSA-N 1 1 382.460 3.921 20 5 GHBDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)cc1[N+](=O)[O-] ZINC000539070449 871253528 /nfs/dbraw/zinc/25/35/28/871253528.db2.gz KPNJGCGOFHKZNQ-LBPRGKRZSA-N 1 1 387.827 3.688 20 5 GHBDMO Cc1ccc([C@H](C)[NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1[N+](=O)[O-] ZINC000181828941 871525247 /nfs/dbraw/zinc/52/52/47/871525247.db2.gz YSGMEEVESAXEJJ-NSHDSACASA-N 1 1 384.461 3.541 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000540588081 871687049 /nfs/dbraw/zinc/68/70/49/871687049.db2.gz VLPDGRNVCWOAPI-AEFFLSMTSA-N 1 1 397.475 3.776 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000463435685 871737103 /nfs/dbraw/zinc/73/71/03/871737103.db2.gz LJAVYUHGPPFDDB-NRFANRHFSA-N 1 1 388.439 3.560 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000463435685 871737113 /nfs/dbraw/zinc/73/71/13/871737113.db2.gz LJAVYUHGPPFDDB-NRFANRHFSA-N 1 1 388.439 3.560 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1)C1CC1 ZINC000539348379 871778151 /nfs/dbraw/zinc/77/81/51/871778151.db2.gz JVNUXKRHILSMPF-UHFFFAOYSA-N 1 1 392.459 3.825 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000618668884 871818182 /nfs/dbraw/zinc/81/81/82/871818182.db2.gz DDXHWYUVQPKDSO-MRXNPFEDSA-N 1 1 389.499 3.818 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] ZINC000539379250 871858118 /nfs/dbraw/zinc/85/81/18/871858118.db2.gz SSVIPSHFLKRELB-KGLIPLIRSA-N 1 1 398.488 3.902 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])C2)s1 ZINC000552133607 872073664 /nfs/dbraw/zinc/07/36/64/872073664.db2.gz OWTBZMYKSOBWGP-INIZCTEOSA-N 1 1 387.505 3.867 20 5 GHBDMO C[N@@H+](CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C1CCCC1 ZINC000447676625 872080699 /nfs/dbraw/zinc/08/06/99/872080699.db2.gz RFRXCJJNICDDLV-UHFFFAOYSA-N 1 1 382.333 3.930 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447682372 872093708 /nfs/dbraw/zinc/09/37/08/872093708.db2.gz XZZPAXWLZBZJGD-JTQLQIEISA-N 1 1 382.333 3.930 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000540772678 872125805 /nfs/dbraw/zinc/12/58/05/872125805.db2.gz JEIODXOAHVKCLW-OAHLLOKOSA-N 1 1 379.526 3.901 20 5 GHBDMO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000182449212 872350161 /nfs/dbraw/zinc/35/01/61/872350161.db2.gz BUTAARMRASQVCV-GOSISDBHSA-N 1 1 398.431 3.634 20 5 GHBDMO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252699 872503736 /nfs/dbraw/zinc/50/37/36/872503736.db2.gz NMCURFXRZLTXNE-IEBWSBKVSA-N 1 1 398.438 3.597 20 5 GHBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000767546177 872631170 /nfs/dbraw/zinc/63/11/70/872631170.db2.gz DMLJNOCYHLIIJN-HNNXBMFYSA-N 1 1 386.452 3.583 20 5 GHBDMO COc1ccc([C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000619477264 872673805 /nfs/dbraw/zinc/67/38/05/872673805.db2.gz BOPUWFYOHANDNL-NRFANRHFSA-N 1 1 391.427 3.582 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460343936 872795047 /nfs/dbraw/zinc/79/50/47/872795047.db2.gz UFRYGORTNXSQQK-YPGOJHLTSA-N 1 1 383.492 3.850 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000537643475 882653501 /nfs/dbraw/zinc/65/35/01/882653501.db2.gz BHHNURXKGUGHCT-UHFFFAOYSA-N 1 1 381.476 3.868 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182858151 872865653 /nfs/dbraw/zinc/86/56/53/872865653.db2.gz RHGIHBKFHMQTHL-CQSZACIVSA-N 1 1 384.358 3.656 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182858151 872865658 /nfs/dbraw/zinc/86/56/58/872865658.db2.gz RHGIHBKFHMQTHL-CQSZACIVSA-N 1 1 384.358 3.656 20 5 GHBDMO O=C1C[C@]2(CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)Oc2ccccc21 ZINC001196131881 872888205 /nfs/dbraw/zinc/88/82/05/872888205.db2.gz JVRLQAMGUTYCCH-QFIPXVFZSA-N 1 1 396.443 3.864 20 5 GHBDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]2CCCC[C@@H]21 ZINC000541122544 872996980 /nfs/dbraw/zinc/99/69/80/872996980.db2.gz QCQXTFSJSQJYJG-AXAPSJFSSA-N 1 1 396.285 3.806 20 5 GHBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]2CCCC[C@@H]21 ZINC000541122544 872996987 /nfs/dbraw/zinc/99/69/87/872996987.db2.gz QCQXTFSJSQJYJG-AXAPSJFSSA-N 1 1 396.285 3.806 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C3(CCC3)C1)OCCO2 ZINC000619847249 873073931 /nfs/dbraw/zinc/07/39/31/873073931.db2.gz GYKMQBVQUSBRID-MRXNPFEDSA-N 1 1 386.370 3.921 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](C(F)(F)F)C3(CCC3)C1)OCCO2 ZINC000619847249 873073944 /nfs/dbraw/zinc/07/39/44/873073944.db2.gz GYKMQBVQUSBRID-MRXNPFEDSA-N 1 1 386.370 3.921 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@](F)(CO)C3)o2)c(Br)c1 ZINC000619846878 873075373 /nfs/dbraw/zinc/07/53/73/873075373.db2.gz IHKZTXITWPGQQO-MRXNPFEDSA-N 1 1 399.216 3.524 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@](F)(CO)C3)o2)c(Br)c1 ZINC000619846878 873075386 /nfs/dbraw/zinc/07/53/86/873075386.db2.gz IHKZTXITWPGQQO-MRXNPFEDSA-N 1 1 399.216 3.524 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3cccs3)CC2)ccc1Br ZINC000768196733 873162669 /nfs/dbraw/zinc/16/26/69/873162669.db2.gz GDELIQFRDOODAT-UHFFFAOYSA-N 1 1 396.310 3.737 20 5 GHBDMO Cc1cccc(C[N@H+](Cc2ccco2)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000541281312 873304486 /nfs/dbraw/zinc/30/44/86/873304486.db2.gz GNAKVYKZPDVVOQ-IBGZPJMESA-N 1 1 396.443 3.938 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001197589086 873928240 /nfs/dbraw/zinc/92/82/40/873928240.db2.gz JNCCXWYSJRBNAV-IFXJQAMLSA-N 1 1 395.887 3.937 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001197589086 873928247 /nfs/dbraw/zinc/92/82/47/873928247.db2.gz JNCCXWYSJRBNAV-IFXJQAMLSA-N 1 1 395.887 3.937 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541681050 874086938 /nfs/dbraw/zinc/08/69/38/874086938.db2.gz OQJBKTZNXJIDGP-HNNXBMFYSA-N 1 1 389.521 3.844 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C3CCC2(CO)CC3)cc1OC ZINC001198010014 874160198 /nfs/dbraw/zinc/16/01/98/874160198.db2.gz AGEKZEDJBOSCNX-GPWPYBQESA-N 1 1 378.469 3.518 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C3CCC2(CO)CC3)cc1OC ZINC001198010014 874160207 /nfs/dbraw/zinc/16/02/07/874160207.db2.gz AGEKZEDJBOSCNX-GPWPYBQESA-N 1 1 378.469 3.518 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541785046 874300316 /nfs/dbraw/zinc/30/03/16/874300316.db2.gz CTBFMRLQNSPREJ-KSSFIOAISA-N 1 1 386.427 3.766 20 5 GHBDMO C[C@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449008355 874349014 /nfs/dbraw/zinc/34/90/14/874349014.db2.gz CQWDATRMMPKQQP-OAHLLOKOSA-N 1 1 388.489 3.766 20 5 GHBDMO C[C@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449008355 874349029 /nfs/dbraw/zinc/34/90/29/874349029.db2.gz CQWDATRMMPKQQP-OAHLLOKOSA-N 1 1 388.489 3.766 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000464721435 874380060 /nfs/dbraw/zinc/38/00/60/874380060.db2.gz XDLPNOOVASGZNL-UHFFFAOYSA-N 1 1 387.346 3.928 20 5 GHBDMO CCOC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)C1 ZINC000769989677 874387571 /nfs/dbraw/zinc/38/75/71/874387571.db2.gz WHYAOFDMPRQPIE-KXBFYZLASA-N 1 1 387.436 3.660 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000769998457 874392534 /nfs/dbraw/zinc/39/25/34/874392534.db2.gz PFOVEARQLVPBAQ-INIZCTEOSA-N 1 1 388.855 3.986 20 5 GHBDMO COc1ccc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000542034620 874820167 /nfs/dbraw/zinc/82/01/67/874820167.db2.gz JFNWBFWMONDHCF-MRXNPFEDSA-N 1 1 398.463 3.732 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)c1 ZINC000465182757 875260850 /nfs/dbraw/zinc/26/08/50/875260850.db2.gz GONJIXYLYWDWQL-HNNXBMFYSA-N 1 1 399.447 3.576 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000465186125 875267135 /nfs/dbraw/zinc/26/71/35/875267135.db2.gz GHJUUMRMOVWNPM-HNNXBMFYSA-N 1 1 399.447 3.576 20 5 GHBDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542282328 875299550 /nfs/dbraw/zinc/29/95/50/875299550.db2.gz REFUMULLFCOGKO-PBHICJAKSA-N 1 1 378.856 3.551 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000549941354 876004248 /nfs/dbraw/zinc/00/42/48/876004248.db2.gz KXABMJNPBGBFFG-UHFFFAOYSA-N 1 1 395.381 3.995 20 5 GHBDMO C[C@@H](c1ccccc1Cl)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276971 876147903 /nfs/dbraw/zinc/14/79/03/876147903.db2.gz MONRDAQCHWWWGG-YWZLYKJASA-N 1 1 389.883 3.660 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000450280402 876213021 /nfs/dbraw/zinc/21/30/21/876213021.db2.gz YFRGAEZHBOWBOF-WBVHZDCISA-N 1 1 393.365 3.789 20 5 GHBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804536316 883022410 /nfs/dbraw/zinc/02/24/10/883022410.db2.gz SFANVILCJPCAIV-NRFANRHFSA-N 1 1 399.878 3.986 20 5 GHBDMO COC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000850362189 876849874 /nfs/dbraw/zinc/84/98/74/876849874.db2.gz JFCGZYXOLPAKOE-MRXNPFEDSA-N 1 1 395.253 3.843 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)c(C(=O)OC)n2)cc1[N+](=O)[O-] ZINC000850513932 876984627 /nfs/dbraw/zinc/98/46/27/876984627.db2.gz QOUBJSQDKPNVHB-LLVKDONJSA-N 1 1 393.827 3.679 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000609936536 877204427 /nfs/dbraw/zinc/20/44/27/877204427.db2.gz KAMVDRAVYSKJMU-SFHVURJKSA-N 1 1 376.501 3.779 20 5 GHBDMO CNc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000609995871 877266461 /nfs/dbraw/zinc/26/64/61/877266461.db2.gz OEZXUARMWLSYQU-APWZRJJASA-N 1 1 396.491 3.762 20 5 GHBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492695984 877363577 /nfs/dbraw/zinc/36/35/77/877363577.db2.gz LJNWTFHVWHKDBO-NVXWUHKLSA-N 1 1 377.485 3.510 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)C1 ZINC000477329188 877440799 /nfs/dbraw/zinc/44/07/99/877440799.db2.gz JBJJAUAQJXWSGE-INIZCTEOSA-N 1 1 399.466 3.825 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH+]1CCC(CF)CC1 ZINC000451395598 877912400 /nfs/dbraw/zinc/91/24/00/877912400.db2.gz QRKKUMRTHLSSHF-LBPRGKRZSA-N 1 1 392.456 3.727 20 5 GHBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000477624185 877940720 /nfs/dbraw/zinc/94/07/20/877940720.db2.gz FVAFYTISGOTAAM-UHFFFAOYSA-N 1 1 389.521 3.869 20 5 GHBDMO Cn1cc(C[NH2+]Cc2cc(-c3ccccc3)on2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237774437 877994462 /nfs/dbraw/zinc/99/44/62/877994462.db2.gz PMGVLEVNZVVBOH-UHFFFAOYSA-N 1 1 389.415 3.940 20 5 GHBDMO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545202 878116788 /nfs/dbraw/zinc/11/67/88/878116788.db2.gz HAEPNSJHUKFHEF-GOEBONIOSA-N 1 1 378.432 3.922 20 5 GHBDMO COc1ccccc1O[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001170086079 878146626 /nfs/dbraw/zinc/14/66/26/878146626.db2.gz OYENFWVVQMTMDR-IBGZPJMESA-N 1 1 386.448 3.916 20 5 GHBDMO Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534812 912321833 /nfs/dbraw/zinc/32/18/33/912321833.db2.gz HLXSNKBQPMKIGT-CQSZACIVSA-N 1 1 378.379 3.586 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000852319140 878234693 /nfs/dbraw/zinc/23/46/93/878234693.db2.gz ZBOHLGUOIQOQHX-VQTJNVASSA-N 1 1 398.459 3.569 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000795680725 912325658 /nfs/dbraw/zinc/32/56/58/912325658.db2.gz PQIWWRRHQNWFDQ-RLLQIKCJSA-N 1 1 377.448 3.874 20 5 GHBDMO CC[C@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591069 878267868 /nfs/dbraw/zinc/26/78/68/878267868.db2.gz AMMBAKTYJLLRQE-LIRRHRJNSA-N 1 1 396.447 3.578 20 5 GHBDMO CC[C@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591069 878267890 /nfs/dbraw/zinc/26/78/90/878267890.db2.gz AMMBAKTYJLLRQE-LIRRHRJNSA-N 1 1 396.447 3.578 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)s1 ZINC000852773921 878589498 /nfs/dbraw/zinc/58/94/98/878589498.db2.gz JHMJHZSWONTJRI-LBPRGKRZSA-N 1 1 395.868 3.871 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)s1 ZINC000852773921 878589510 /nfs/dbraw/zinc/58/95/10/878589510.db2.gz JHMJHZSWONTJRI-LBPRGKRZSA-N 1 1 395.868 3.871 20 5 GHBDMO CCC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCc2cccnc21 ZINC000774606449 912374634 /nfs/dbraw/zinc/37/46/34/912374634.db2.gz ZWIUYGZHMIIJHE-MRXNPFEDSA-N 1 1 382.420 3.645 20 5 GHBDMO CCC[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCc2cccnc21 ZINC000774606449 912374655 /nfs/dbraw/zinc/37/46/55/912374655.db2.gz ZWIUYGZHMIIJHE-MRXNPFEDSA-N 1 1 382.420 3.645 20 5 GHBDMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000452185227 879101604 /nfs/dbraw/zinc/10/16/04/879101604.db2.gz ZGMLIHZTUYSTTI-YJBOKZPZSA-N 1 1 385.439 3.823 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789595030 879102215 /nfs/dbraw/zinc/10/22/15/879102215.db2.gz QLJZEKUTQIFALU-WYPWOVKWSA-N 1 1 379.460 3.731 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000853796400 879289725 /nfs/dbraw/zinc/28/97/25/879289725.db2.gz URILNRBOGSIRTG-AWEZNQCLSA-N 1 1 379.819 3.566 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538422711 879439923 /nfs/dbraw/zinc/43/99/23/879439923.db2.gz UWLXNBZBVVHBJJ-BBRMVZONSA-N 1 1 383.832 3.510 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000531426233 879809698 /nfs/dbraw/zinc/80/96/98/879809698.db2.gz WCTHWSJWADYPQI-UHFFFAOYSA-N 1 1 398.301 3.550 20 5 GHBDMO C[C@@H]1[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000494025233 879835111 /nfs/dbraw/zinc/83/51/11/879835111.db2.gz AIDWTXQYPULMCF-UTKZUKDTSA-N 1 1 396.491 3.566 20 5 GHBDMO C[C@H]1[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000494028018 879836961 /nfs/dbraw/zinc/83/69/61/879836961.db2.gz OUEZBVSIJHPZFF-KSSFIOAISA-N 1 1 379.416 3.734 20 5 GHBDMO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000248872526 912505554 /nfs/dbraw/zinc/50/55/54/912505554.db2.gz IGIDIJQEQVPYSV-CZAAIQMYSA-N 1 1 375.513 3.699 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000248872526 912505563 /nfs/dbraw/zinc/50/55/63/912505563.db2.gz IGIDIJQEQVPYSV-CZAAIQMYSA-N 1 1 375.513 3.699 20 5 GHBDMO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000248872526 912505574 /nfs/dbraw/zinc/50/55/74/912505574.db2.gz IGIDIJQEQVPYSV-CZAAIQMYSA-N 1 1 375.513 3.699 20 5 GHBDMO CC(C)(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598218101 880491068 /nfs/dbraw/zinc/49/10/68/880491068.db2.gz FZDNIRGLNPIKRO-AWEZNQCLSA-N 1 1 377.460 3.535 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]C[C@@H](O)COc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542478379 880495054 /nfs/dbraw/zinc/49/50/54/880495054.db2.gz SZEXBSPSKPXVRF-GCJKJVERSA-N 1 1 396.443 3.869 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000791981639 880820588 /nfs/dbraw/zinc/82/05/88/880820588.db2.gz WQVSJDKHAAWDLF-LNTYHFEGSA-N 1 1 377.444 3.751 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000532029724 880912536 /nfs/dbraw/zinc/91/25/36/880912536.db2.gz CHHZWPQIECFZMO-OAHLLOKOSA-N 1 1 385.489 3.818 20 5 GHBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000532136901 881215463 /nfs/dbraw/zinc/21/54/63/881215463.db2.gz MVWLCDRPRMNDDA-IBGZPJMESA-N 1 1 382.464 3.507 20 5 GHBDMO O=[N+]([O-])c1c(F)cccc1NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000919963397 881278215 /nfs/dbraw/zinc/27/82/15/881278215.db2.gz KQRJESLBVPPJIY-UHFFFAOYSA-N 1 1 386.471 3.744 20 5 GHBDMO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000609464832 883225874 /nfs/dbraw/zinc/22/58/74/883225874.db2.gz VNEFGASWGIFEMF-LJQANCHMSA-N 1 1 377.460 3.737 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001129828783 883242927 /nfs/dbraw/zinc/24/29/27/883242927.db2.gz NNWVNMNRSFWADV-OAHLLOKOSA-N 1 1 387.867 3.903 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001129828783 883242943 /nfs/dbraw/zinc/24/29/43/883242943.db2.gz NNWVNMNRSFWADV-OAHLLOKOSA-N 1 1 387.867 3.903 20 5 GHBDMO CCC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1F ZINC000609766279 883655415 /nfs/dbraw/zinc/65/54/15/883655415.db2.gz DVYJFOWNVMBLBT-UHFFFAOYSA-N 1 1 387.411 3.944 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598396933 883755734 /nfs/dbraw/zinc/75/57/34/883755734.db2.gz PWVBWGQEDXYBND-LJQANCHMSA-N 1 1 393.487 3.935 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000841979649 884447809 /nfs/dbraw/zinc/44/78/09/884447809.db2.gz QHDAAMGEZRUBGX-QGZVFWFLSA-N 1 1 378.472 3.572 20 5 GHBDMO C[N@@H+](CCc1cnccn1)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000508651739 884812508 /nfs/dbraw/zinc/81/25/08/884812508.db2.gz HFYTYYVIGWSMLR-UHFFFAOYSA-N 1 1 382.395 3.991 20 5 GHBDMO Cn1cc(C[NH2+]Cc2cn3cc(Cl)ccc3n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237782875 885248651 /nfs/dbraw/zinc/24/86/51/885248651.db2.gz PWKUMHJGDDNOEH-UHFFFAOYSA-N 1 1 396.838 3.586 20 5 GHBDMO C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272256447 885533354 /nfs/dbraw/zinc/53/33/54/885533354.db2.gz JEBCCYXOALYVCF-GOEBONIOSA-N 1 1 387.867 3.889 20 5 GHBDMO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000067569787 885572813 /nfs/dbraw/zinc/57/28/13/885572813.db2.gz CZPWJCCGONHMNA-IEBWSBKVSA-N 1 1 396.491 3.867 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000121873981 886118528 /nfs/dbraw/zinc/11/85/28/886118528.db2.gz IRZWZYIECNVNHC-AWEZNQCLSA-N 1 1 379.420 3.649 20 5 GHBDMO O=C(C[N@H+](Cc1ccc(F)cc1)CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532572264 886139504 /nfs/dbraw/zinc/13/95/04/886139504.db2.gz FWCKJLJMCHVJQC-UHFFFAOYSA-N 1 1 383.423 3.535 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000532585835 886188416 /nfs/dbraw/zinc/18/84/16/886188416.db2.gz VOZFZTBZUKALMM-QGZVFWFLSA-N 1 1 385.439 3.936 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556868689 886417176 /nfs/dbraw/zinc/41/71/76/886417176.db2.gz AHZYPUNJJQLDJT-VQIMIIECSA-N 1 1 385.512 3.518 20 5 GHBDMO C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272304321 887081080 /nfs/dbraw/zinc/08/10/80/887081080.db2.gz JMMQIXSDPLGSQL-HKUYNNGSSA-N 1 1 396.491 3.647 20 5 GHBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000443954422 887130654 /nfs/dbraw/zinc/13/06/54/887130654.db2.gz BLQAWVPTUBHVFK-KRWDZBQOSA-N 1 1 393.447 3.686 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272386333 887359896 /nfs/dbraw/zinc/35/98/96/887359896.db2.gz WCUIQLCBFIWSNN-WBVHZDCISA-N 1 1 399.516 3.957 20 5 GHBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000809945749 887997177 /nfs/dbraw/zinc/99/71/77/887997177.db2.gz BBFFQTZSFYGUIF-INIZCTEOSA-N 1 1 399.274 3.911 20 5 GHBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000809945749 887997184 /nfs/dbraw/zinc/99/71/84/887997184.db2.gz BBFFQTZSFYGUIF-INIZCTEOSA-N 1 1 399.274 3.911 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000120260429 888030555 /nfs/dbraw/zinc/03/05/55/888030555.db2.gz HWAKIPZDYRWGCC-CYBMUJFWSA-N 1 1 390.871 3.773 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000120260429 888030561 /nfs/dbraw/zinc/03/05/61/888030561.db2.gz HWAKIPZDYRWGCC-CYBMUJFWSA-N 1 1 390.871 3.773 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000536633734 888413537 /nfs/dbraw/zinc/41/35/37/888413537.db2.gz CZNQDHIEILPNAU-GOSISDBHSA-N 1 1 398.463 3.780 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000536633734 888413547 /nfs/dbraw/zinc/41/35/47/888413547.db2.gz CZNQDHIEILPNAU-GOSISDBHSA-N 1 1 398.463 3.780 20 5 GHBDMO CC1CCN(c2ccc(C(=O)O[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000810841686 888931364 /nfs/dbraw/zinc/93/13/64/888931364.db2.gz NBOXXCOIZZDWNP-MSOLQXFVSA-N 1 1 387.480 3.615 20 5 GHBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000810843059 888934911 /nfs/dbraw/zinc/93/49/11/888934911.db2.gz VELLTKGAMGXRPY-MOPGFXCFSA-N 1 1 395.459 3.991 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000454390068 888950862 /nfs/dbraw/zinc/95/08/62/888950862.db2.gz ZZSQJYFKMUTQDF-FCEWJHQRSA-N 1 1 382.464 3.791 20 5 GHBDMO O=C(C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532977555 889440186 /nfs/dbraw/zinc/44/01/86/889440186.db2.gz SDQXXDZHJLBSDM-CQSZACIVSA-N 1 1 391.830 3.890 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532977555 889440193 /nfs/dbraw/zinc/44/01/93/889440193.db2.gz SDQXXDZHJLBSDM-CQSZACIVSA-N 1 1 391.830 3.890 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000532972183 889476642 /nfs/dbraw/zinc/47/66/42/889476642.db2.gz PMPCOXLTRGDWOJ-CDHQVMDDSA-N 1 1 389.496 3.757 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)c2)cc1 ZINC000811782850 889956972 /nfs/dbraw/zinc/95/69/72/889956972.db2.gz SRVYSMHSDHMBGY-JOCHJYFZSA-N 1 1 390.443 3.886 20 5 GHBDMO COC(=O)/C=C/c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000795179791 890925819 /nfs/dbraw/zinc/92/58/19/890925819.db2.gz NLYUBJILPUPLJH-RQMBKDMJSA-N 1 1 395.459 3.715 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850846 891043989 /nfs/dbraw/zinc/04/39/89/891043989.db2.gz WAVFEMJPVDJQAD-YJYMSZOUSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850846 891043999 /nfs/dbraw/zinc/04/39/99/891043999.db2.gz WAVFEMJPVDJQAD-YJYMSZOUSA-N 1 1 391.855 3.631 20 5 GHBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812875565 891054196 /nfs/dbraw/zinc/05/41/96/891054196.db2.gz VGLOODJOTGYJEG-UHFFFAOYSA-N 1 1 394.258 3.690 20 5 GHBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812875565 891054209 /nfs/dbraw/zinc/05/42/09/891054209.db2.gz VGLOODJOTGYJEG-UHFFFAOYSA-N 1 1 394.258 3.690 20 5 GHBDMO COc1cccc([C@H](C)C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813170862 891327757 /nfs/dbraw/zinc/32/77/57/891327757.db2.gz MCLMQJDBFDGGCQ-YWZLYKJASA-N 1 1 384.432 3.525 20 5 GHBDMO COc1cccc([C@H](C)C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813170862 891327774 /nfs/dbraw/zinc/32/77/74/891327774.db2.gz MCLMQJDBFDGGCQ-YWZLYKJASA-N 1 1 384.432 3.525 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(OC(F)F)cc1 ZINC000813172442 891334923 /nfs/dbraw/zinc/33/49/23/891334923.db2.gz IAWCNRVNAWVHOZ-KRWDZBQOSA-N 1 1 392.358 3.628 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(OC(F)F)cc1 ZINC000813172442 891334940 /nfs/dbraw/zinc/33/49/40/891334940.db2.gz IAWCNRVNAWVHOZ-KRWDZBQOSA-N 1 1 392.358 3.628 20 5 GHBDMO C[N@@H+](CCOc1cccc(Cl)c1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026336882 891400674 /nfs/dbraw/zinc/40/06/74/891400674.db2.gz TWEKZJUUCDTQJA-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000813492218 891648525 /nfs/dbraw/zinc/64/85/25/891648525.db2.gz KLDQUHQPILUPDU-BZNIZROVSA-N 1 1 398.290 3.991 20 5 GHBDMO COc1ccccc1[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000127706147 891700377 /nfs/dbraw/zinc/70/03/77/891700377.db2.gz JCWXUZVJQYFNOQ-KRWDZBQOSA-N 1 1 386.452 3.645 20 5 GHBDMO COc1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC001185089052 913629564 /nfs/dbraw/zinc/62/95/64/913629564.db2.gz ULHZROBPFFJVJW-KRWDZBQOSA-N 1 1 385.464 3.936 20 5 GHBDMO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000498012361 892948348 /nfs/dbraw/zinc/94/83/48/892948348.db2.gz NSJNTBWNZMPPRT-VQIMIIECSA-N 1 1 397.475 3.901 20 5 GHBDMO CCOc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000428665784 893145563 /nfs/dbraw/zinc/14/55/63/893145563.db2.gz FVSVMBSNHSFQLK-LJQANCHMSA-N 1 1 385.464 3.697 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001134820633 893356453 /nfs/dbraw/zinc/35/64/53/893356453.db2.gz LWTMTCQDOYIEBF-HSALFYBXSA-N 1 1 393.487 3.934 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000778220360 893378473 /nfs/dbraw/zinc/37/84/73/893378473.db2.gz VKFCTFOTFJTWKC-MRXNPFEDSA-N 1 1 397.809 3.759 20 5 GHBDMO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498154670 893426447 /nfs/dbraw/zinc/42/64/47/893426447.db2.gz YLLXXOYNDDVAQA-JXFKEZNVSA-N 1 1 389.521 3.823 20 5 GHBDMO CC[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000542611367 893429398 /nfs/dbraw/zinc/42/93/98/893429398.db2.gz FGGRMBWTUJCBCC-CRAIPNDOSA-N 1 1 399.466 3.791 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+][C@@H](CCO)c2cccs2)cc1Br ZINC000877050725 893458263 /nfs/dbraw/zinc/45/82/63/893458263.db2.gz OTIGSCKWWSCOCL-JTQLQIEISA-N 1 1 377.285 3.694 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000536685996 893531567 /nfs/dbraw/zinc/53/15/67/893531567.db2.gz WXVLUWAVHPYZMH-INIZCTEOSA-N 1 1 381.476 3.697 20 5 GHBDMO COc1cc(CN2CC[N@@H+](C)CC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536682798 893554600 /nfs/dbraw/zinc/55/46/00/893554600.db2.gz JFNTYSOWXPXYJU-KRWDZBQOSA-N 1 1 399.491 3.708 20 5 GHBDMO Cc1c(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000459546707 893776306 /nfs/dbraw/zinc/77/63/06/893776306.db2.gz NYUZGMFAGDIEGC-LBPRGKRZSA-N 1 1 399.289 3.519 20 5 GHBDMO COc1cc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000459629985 893928988 /nfs/dbraw/zinc/92/89/88/893928988.db2.gz OHDSHNJAFHILIO-UHFFFAOYSA-N 1 1 378.375 3.565 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000459658978 894006210 /nfs/dbraw/zinc/00/62/10/894006210.db2.gz JTBXGADOVUVLMQ-INIZCTEOSA-N 1 1 388.386 3.784 20 5 GHBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000918571587 894048060 /nfs/dbraw/zinc/04/80/60/894048060.db2.gz FTJBWSLREMOEIO-SJORKVTESA-N 1 1 388.512 3.578 20 5 GHBDMO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000878163091 894061993 /nfs/dbraw/zinc/06/19/93/894061993.db2.gz MJZMSMUBSFFXPM-QGZVFWFLSA-N 1 1 393.447 3.746 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459759329 894153360 /nfs/dbraw/zinc/15/33/60/894153360.db2.gz ITPJEISJBBXLTR-AWEZNQCLSA-N 1 1 389.427 3.634 20 5 GHBDMO CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000563840356 894247004 /nfs/dbraw/zinc/24/70/04/894247004.db2.gz GRATYPKSHLNDQM-JQHSSLGASA-N 1 1 386.452 3.670 20 5 GHBDMO C[C@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000564005857 894442628 /nfs/dbraw/zinc/44/26/28/894442628.db2.gz QYGDENZRRYAPOZ-IRXDYDNUSA-N 1 1 399.466 3.960 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000537286115 894704819 /nfs/dbraw/zinc/70/48/19/894704819.db2.gz FOEXKVYVQVLVTF-KRWDZBQOSA-N 1 1 397.475 3.730 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000564313314 894853551 /nfs/dbraw/zinc/85/35/51/894853551.db2.gz UJXRPGCHLLIRFV-DPVXCJKMSA-N 1 1 380.492 3.990 20 5 GHBDMO C[C@@H]1C[C@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000564526674 895054823 /nfs/dbraw/zinc/05/48/23/895054823.db2.gz FCXXBAJCMOFTRU-BDAKNGLRSA-N 1 1 380.317 3.681 20 5 GHBDMO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001185517110 913933011 /nfs/dbraw/zinc/93/30/11/913933011.db2.gz CANQJDMAYGUPSW-ZDUSSCGKSA-N 1 1 393.846 3.763 20 5 GHBDMO COc1cccc(C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000064400154 895174030 /nfs/dbraw/zinc/17/40/30/895174030.db2.gz QWIMDUYPRDOQCL-IBGZPJMESA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cccc(C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000064400154 895174042 /nfs/dbraw/zinc/17/40/42/895174042.db2.gz QWIMDUYPRDOQCL-IBGZPJMESA-N 1 1 386.448 3.793 20 5 GHBDMO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001170858439 895450981 /nfs/dbraw/zinc/45/09/81/895450981.db2.gz BZDYXFKDBCHYPQ-HNNXBMFYSA-N 1 1 398.246 3.817 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507032 895684382 /nfs/dbraw/zinc/68/43/82/895684382.db2.gz CGZZALGBCOIZAD-QGZVFWFLSA-N 1 1 389.521 3.797 20 5 GHBDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507032 895684405 /nfs/dbraw/zinc/68/44/05/895684405.db2.gz CGZZALGBCOIZAD-QGZVFWFLSA-N 1 1 389.521 3.797 20 5 GHBDMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507032 895684410 /nfs/dbraw/zinc/68/44/10/895684410.db2.gz CGZZALGBCOIZAD-QGZVFWFLSA-N 1 1 389.521 3.797 20 5 GHBDMO CC(C)[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000565882691 895956473 /nfs/dbraw/zinc/95/64/73/895956473.db2.gz CUTSGSBXRGYBCQ-UXHICEINSA-N 1 1 379.464 3.842 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881209327 896238711 /nfs/dbraw/zinc/23/87/11/896238711.db2.gz BWVUCNOCHZFNAV-IBGZPJMESA-N 1 1 381.411 3.541 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(C)c1[N+](=O)[O-] ZINC000129004618 896336826 /nfs/dbraw/zinc/33/68/26/896336826.db2.gz MTYGBLKURVGDTE-CQSZACIVSA-N 1 1 375.498 3.581 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(C)c1[N+](=O)[O-] ZINC000129004618 896336840 /nfs/dbraw/zinc/33/68/40/896336840.db2.gz MTYGBLKURVGDTE-CQSZACIVSA-N 1 1 375.498 3.581 20 5 GHBDMO CC(=O)c1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000567377300 897103721 /nfs/dbraw/zinc/10/37/21/897103721.db2.gz HISNURZIAVRGFN-LJQANCHMSA-N 1 1 383.448 3.500 20 5 GHBDMO CC[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000569231772 898450039 /nfs/dbraw/zinc/45/00/39/898450039.db2.gz OTUBQCUEEGHIEP-OAHLLOKOSA-N 1 1 383.477 3.700 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000569249526 898467719 /nfs/dbraw/zinc/46/77/19/898467719.db2.gz OUDVPJXWNJQPHV-OAHLLOKOSA-N 1 1 387.411 3.561 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000805792361 898468356 /nfs/dbraw/zinc/46/83/56/898468356.db2.gz BFJUHSFYWVKMAR-FQEVSTJZSA-N 1 1 375.469 3.818 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000331793148 899168030 /nfs/dbraw/zinc/16/80/30/899168030.db2.gz KPUYAQXGVLJZAZ-JKSUJKDBSA-N 1 1 390.484 3.722 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000570223251 899204500 /nfs/dbraw/zinc/20/45/00/899204500.db2.gz PZQPOGBHPGRFHP-CQSZACIVSA-N 1 1 393.390 3.632 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001136811609 899354016 /nfs/dbraw/zinc/35/40/16/899354016.db2.gz KMAUBWVWGMTNDE-CVEARBPZSA-N 1 1 377.460 3.769 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1(C)C ZINC000570609940 899435945 /nfs/dbraw/zinc/43/59/45/899435945.db2.gz GKBSMUJZTCGVEK-CVEARBPZSA-N 1 1 388.411 3.840 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001136832702 899442724 /nfs/dbraw/zinc/44/27/24/899442724.db2.gz QYIWZSNMCYPCFK-HNNXBMFYSA-N 1 1 391.830 3.782 20 5 GHBDMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570649732 899471302 /nfs/dbraw/zinc/47/13/02/899471302.db2.gz MGNXWBARGUIPBW-LEWJYISDSA-N 1 1 393.487 3.823 20 5 GHBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000332454512 899682471 /nfs/dbraw/zinc/68/24/71/899682471.db2.gz NWCSAICUVCERTF-UHFFFAOYSA-N 1 1 382.342 3.596 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000825431892 900140683 /nfs/dbraw/zinc/14/06/83/900140683.db2.gz CKFYFCHILQLERO-AWEZNQCLSA-N 1 1 387.867 3.733 20 5 GHBDMO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171133829 901020194 /nfs/dbraw/zinc/02/01/94/901020194.db2.gz QZJARWQDRQETBG-IBGZPJMESA-N 1 1 383.423 3.769 20 5 GHBDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171133829 901020207 /nfs/dbraw/zinc/02/02/07/901020207.db2.gz QZJARWQDRQETBG-IBGZPJMESA-N 1 1 383.423 3.769 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000886699063 901233179 /nfs/dbraw/zinc/23/31/79/901233179.db2.gz SEVBHAHZDDAQND-AWEZNQCLSA-N 1 1 389.477 3.681 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000577026388 902442494 /nfs/dbraw/zinc/44/24/94/902442494.db2.gz XFLVXSZSYWHVSX-MRXNPFEDSA-N 1 1 389.521 3.927 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846111734 902687657 /nfs/dbraw/zinc/68/76/57/902687657.db2.gz VQCCAWARWWBTMC-DZGCQCFKSA-N 1 1 383.279 3.981 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](COC(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000577542729 902867609 /nfs/dbraw/zinc/86/76/09/902867609.db2.gz GETDTUIEELDQSM-LBPRGKRZSA-N 1 1 382.363 3.925 20 5 GHBDMO O=C(NC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1)C1CCCCC1 ZINC000601108296 903340864 /nfs/dbraw/zinc/34/08/64/903340864.db2.gz HDJKGOGHBSEALZ-UHFFFAOYSA-N 1 1 382.464 3.808 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000601225144 903482199 /nfs/dbraw/zinc/48/21/99/903482199.db2.gz DCDMXVLVOIDSRE-PXAZEXFGSA-N 1 1 377.441 3.608 20 5 GHBDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171308675 903813801 /nfs/dbraw/zinc/81/38/01/903813801.db2.gz SIYLZCYHGQFTGU-JOCHJYFZSA-N 1 1 397.450 3.720 20 5 GHBDMO CCn1cc(C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cn1 ZINC000265475156 903914584 /nfs/dbraw/zinc/91/45/84/903914584.db2.gz JXSQBZXRPXKEJN-UHFFFAOYSA-N 1 1 396.447 3.689 20 5 GHBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000773036623 904391344 /nfs/dbraw/zinc/39/13/44/904391344.db2.gz QZLCQPVKCBLPNY-GFCCVEGCSA-N 1 1 382.869 3.893 20 5 GHBDMO O=C(C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)NCc1ccc(F)cc1 ZINC001171545828 904773604 /nfs/dbraw/zinc/77/36/04/904773604.db2.gz XXBIMTKSRNCANF-LJQANCHMSA-N 1 1 399.466 3.695 20 5 GHBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000174677552 905321597 /nfs/dbraw/zinc/32/15/97/905321597.db2.gz WAAHTWLRITUVBG-IBGZPJMESA-N 1 1 393.447 3.746 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000801600697 921179496 /nfs/dbraw/zinc/17/94/96/921179496.db2.gz SYJGMDGDPUQJCQ-KRWDZBQOSA-N 1 1 397.244 3.704 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2nn(CC)cc21 ZINC001172908309 905936430 /nfs/dbraw/zinc/93/64/30/905936430.db2.gz NEEKGMLWQFVLIN-RTBURBONSA-N 1 1 398.507 3.695 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2nn(CC)cc21 ZINC001172908309 905936442 /nfs/dbraw/zinc/93/64/42/905936442.db2.gz NEEKGMLWQFVLIN-RTBURBONSA-N 1 1 398.507 3.695 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC(N3CCC(F)CC3)CC1)CC2 ZINC001172916847 905988192 /nfs/dbraw/zinc/98/81/92/905988192.db2.gz UFPGKIPKAVHRTJ-IBGZPJMESA-N 1 1 375.488 3.741 20 5 GHBDMO CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173180193 906257683 /nfs/dbraw/zinc/25/76/83/906257683.db2.gz JFWOCNUTBBHCFF-VLIAUNLRSA-N 1 1 396.459 3.729 20 5 GHBDMO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC000178019098 906269340 /nfs/dbraw/zinc/26/93/40/906269340.db2.gz HJOIEELBLVVRDW-UHFFFAOYSA-N 1 1 379.888 3.719 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2cc(C(=O)C[NH3+])c3ccccc32)c1F ZINC001173189820 906271658 /nfs/dbraw/zinc/27/16/58/906271658.db2.gz RLZYJUMRPLRPLG-LBPRGKRZSA-N 1 1 385.395 3.642 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](Oc3ccncc3C)C2)c1F ZINC001173193947 906278755 /nfs/dbraw/zinc/27/87/55/906278755.db2.gz SDIYZRSURDDKEH-HUUCEWRRSA-N 1 1 389.427 3.530 20 5 GHBDMO COC(=O)[C@](C)([NH3+])Cc1cn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173231976 906317616 /nfs/dbraw/zinc/31/76/16/906317616.db2.gz BTEGPVVQAIFKLY-OYHNWAKOSA-N 1 1 395.459 3.786 20 5 GHBDMO CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173234177 906320046 /nfs/dbraw/zinc/32/00/46/906320046.db2.gz PGPNIPUXERLQCW-YJBOKZPZSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001173234223 906320989 /nfs/dbraw/zinc/32/09/89/906320989.db2.gz PZCWIASSNYWWDE-NVXWUHKLSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001173233428 906321195 /nfs/dbraw/zinc/32/11/95/906321195.db2.gz WNOMMNPRETWAHS-IIDMSEBBSA-N 1 1 377.485 3.903 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001173238441 906350076 /nfs/dbraw/zinc/35/00/76/906350076.db2.gz SOFZQCHPHFQHBZ-YWZLYKJASA-N 1 1 377.485 3.763 20 5 GHBDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180652522 906812149 /nfs/dbraw/zinc/81/21/49/906812149.db2.gz PCMANYSWEVWMOE-OXJNMPFZSA-N 1 1 396.447 3.534 20 5 GHBDMO Cc1cccc(N2CCC(NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)[nH+]1 ZINC000191343820 906886396 /nfs/dbraw/zinc/88/63/96/906886396.db2.gz GOFFLBDKNYYILW-UHFFFAOYSA-N 1 1 383.452 3.706 20 5 GHBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(N2CCOC2=O)c1 ZINC000181313264 906972124 /nfs/dbraw/zinc/97/21/24/906972124.db2.gz PGCKLBLQBVHTDP-LBPRGKRZSA-N 1 1 382.376 3.543 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000181661645 907050340 /nfs/dbraw/zinc/05/03/40/907050340.db2.gz LZHBLVBCGSKPHI-ZIAGYGMSSA-N 1 1 377.510 3.700 20 5 GHBDMO Cc1sc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1[N+](=O)[O-] ZINC000299334667 921295632 /nfs/dbraw/zinc/29/56/32/921295632.db2.gz KKVIIRQKDBXYSN-UHFFFAOYSA-N 1 1 385.489 3.628 20 5 GHBDMO COc1ccc(Nc2cc3c(ccn3C(=O)C[NH+](C)C)cc2OC)cc1[N+](=O)[O-] ZINC001176361980 908074196 /nfs/dbraw/zinc/07/41/96/908074196.db2.gz NWKZZDHDSFFPKP-UHFFFAOYSA-N 1 1 398.419 3.512 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@](O)(c4ccc(F)cc4)C3)cs2)c1 ZINC000777440119 908162153 /nfs/dbraw/zinc/16/21/53/908162153.db2.gz UKJXHZQGCGKIJG-HXUWFJFHSA-N 1 1 399.447 3.951 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@](O)(c4ccc(F)cc4)C3)cs2)c1 ZINC000777440119 908162160 /nfs/dbraw/zinc/16/21/60/908162160.db2.gz UKJXHZQGCGKIJG-HXUWFJFHSA-N 1 1 399.447 3.951 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001176701939 908238447 /nfs/dbraw/zinc/23/84/47/908238447.db2.gz VNOQFPUPBKPQTE-LBPRGKRZSA-N 1 1 385.411 3.610 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001176701939 908238459 /nfs/dbraw/zinc/23/84/59/908238459.db2.gz VNOQFPUPBKPQTE-LBPRGKRZSA-N 1 1 385.411 3.610 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H]1C ZINC001176916532 908322156 /nfs/dbraw/zinc/32/21/56/908322156.db2.gz YSCMQINXKPLEAM-JJFYZRJRSA-N 1 1 382.432 3.541 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H]1C ZINC001176916532 908322172 /nfs/dbraw/zinc/32/21/72/908322172.db2.gz YSCMQINXKPLEAM-JJFYZRJRSA-N 1 1 382.432 3.541 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@@]2(CO)c2ccccc2)c1 ZINC001176958048 908326324 /nfs/dbraw/zinc/32/63/24/908326324.db2.gz FHVJTXKFGUMZNV-GOSISDBHSA-N 1 1 391.265 3.841 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@@]2(CO)c2ccccc2)c1 ZINC001176958048 908326329 /nfs/dbraw/zinc/32/63/29/908326329.db2.gz FHVJTXKFGUMZNV-GOSISDBHSA-N 1 1 391.265 3.841 20 5 GHBDMO Cc1cc(N2CC[NH+](Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)nc(C(C)C)n1 ZINC001180452965 910174889 /nfs/dbraw/zinc/17/48/89/910174889.db2.gz SHDCDSXRAOYNHS-UHFFFAOYSA-N 1 1 383.496 3.756 20 5 GHBDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1OC ZINC001180521166 910197983 /nfs/dbraw/zinc/19/79/83/910197983.db2.gz JLWPEJKOGAHFCE-OAHLLOKOSA-N 1 1 388.420 3.663 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1OC ZINC001180521166 910197990 /nfs/dbraw/zinc/19/79/90/910197990.db2.gz JLWPEJKOGAHFCE-OAHLLOKOSA-N 1 1 388.420 3.663 20 5 GHBDMO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC001180665808 910293810 /nfs/dbraw/zinc/29/38/10/910293810.db2.gz OZROPBRMHWGEQH-UHFFFAOYSA-N 1 1 387.440 3.757 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246991682 910843483 /nfs/dbraw/zinc/84/34/83/910843483.db2.gz TZTHKPBVUYFHFO-SMDDNHRTSA-N 1 1 399.289 3.551 20 5 GHBDMO Cc1cc(C2CC[NH+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH]n1 ZINC000271653349 911003801 /nfs/dbraw/zinc/00/38/01/911003801.db2.gz SNDHLJZYLPQESB-CYBMUJFWSA-N 1 1 382.424 3.617 20 5 GHBDMO Cc1cc(C2CC[NH+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n[nH]1 ZINC000271653349 911003819 /nfs/dbraw/zinc/00/38/19/911003819.db2.gz SNDHLJZYLPQESB-CYBMUJFWSA-N 1 1 382.424 3.617 20 5 GHBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000795550398 911077852 /nfs/dbraw/zinc/07/78/52/911077852.db2.gz BXRFAONKTDKYTM-ZDUSSCGKSA-N 1 1 385.247 3.773 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000274129609 911234655 /nfs/dbraw/zinc/23/46/55/911234655.db2.gz DVGKHSRBLZSNKZ-FZKQIMNGSA-N 1 1 389.402 3.513 20 5 GHBDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284448008 911871350 /nfs/dbraw/zinc/87/13/50/911871350.db2.gz ZWKLTKLDLSPZFJ-KYNGSXCRSA-N 1 1 393.447 3.741 20 5 GHBDMO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284448008 911871357 /nfs/dbraw/zinc/87/13/57/911871357.db2.gz ZWKLTKLDLSPZFJ-KYNGSXCRSA-N 1 1 393.447 3.741 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC001182865202 912088769 /nfs/dbraw/zinc/08/87/69/912088769.db2.gz UNSIFTGCAYCYRN-BLSTYFGJSA-N 1 1 393.487 3.583 20 5 GHBDMO C[N@H+]1CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])CCC1(C)C ZINC001187190631 915080345 /nfs/dbraw/zinc/08/03/45/915080345.db2.gz SJXHMGMICQEFDC-UHFFFAOYSA-N 1 1 393.285 3.826 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000303754305 915086062 /nfs/dbraw/zinc/08/60/62/915086062.db2.gz MQMYQCCHNDDWIJ-JKSUJKDBSA-N 1 1 383.448 3.728 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000303940613 915328118 /nfs/dbraw/zinc/32/81/18/915328118.db2.gz YLTNDNYNDUWUBA-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO Cc1ccccc1[C@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000796407642 916613538 /nfs/dbraw/zinc/61/35/38/916613538.db2.gz MRKPWKWKANKPIO-HXUWFJFHSA-N 1 1 385.420 3.757 20 5 GHBDMO C[N@@H+](CCCOc1cccc(Cl)c1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001190417967 917325710 /nfs/dbraw/zinc/32/57/10/917325710.db2.gz SAAWMSXIWRVYAW-UHFFFAOYSA-N 1 1 391.855 3.978 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C2CCCC2)CC1 ZINC001191350329 917921488 /nfs/dbraw/zinc/92/14/88/917921488.db2.gz JYCGDALAAMPTQP-CQSZACIVSA-N 1 1 375.469 3.833 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001191358515 917926824 /nfs/dbraw/zinc/92/68/24/917926824.db2.gz LXYOADIHRDNGFV-HSZRJFAPSA-N 1 1 395.503 3.962 20 5 GHBDMO CC(C)Oc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001275867758 918962265 /nfs/dbraw/zinc/96/22/65/918962265.db2.gz BHKTVBGJIZYKSY-QGZVFWFLSA-N 1 1 397.475 3.729 20 5 GHBDMO CC(C)Oc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001275867758 918962269 /nfs/dbraw/zinc/96/22/69/918962269.db2.gz BHKTVBGJIZYKSY-QGZVFWFLSA-N 1 1 397.475 3.729 20 5 GHBDMO COc1ccc([C@@H](C)[N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000117334766 919538553 /nfs/dbraw/zinc/53/85/53/919538553.db2.gz ZOAJOZJSFGSJOC-CQSZACIVSA-N 1 1 385.420 3.594 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000800867001 920547549 /nfs/dbraw/zinc/54/75/49/920547549.db2.gz YASVSTCZDSBJSZ-BJWYYQGGSA-N 1 1 379.416 3.871 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000800867001 920547581 /nfs/dbraw/zinc/54/75/81/920547581.db2.gz YASVSTCZDSBJSZ-BJWYYQGGSA-N 1 1 379.416 3.871 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000801044116 920728115 /nfs/dbraw/zinc/72/81/15/920728115.db2.gz MZVJCMDMEXUQFQ-LJQANCHMSA-N 1 1 385.439 3.764 20 5 GHBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000803536090 923074131 /nfs/dbraw/zinc/07/41/31/923074131.db2.gz IBNYRNRXYOIFFH-HDFUYHJRSA-N 1 1 391.471 3.733 20 5 GHBDMO O=C(CC[N@@H+](Cc1ccc(F)cc1F)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000409871090 925081444 /nfs/dbraw/zinc/08/14/44/925081444.db2.gz CWLJSYMQDJWYGA-UHFFFAOYSA-N 1 1 375.375 3.866 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCN(c2ccccc2)CC1 ZINC000411662930 926609321 /nfs/dbraw/zinc/60/93/21/926609321.db2.gz GUJYIPFFRLPOMC-UHFFFAOYSA-N 1 1 382.464 3.524 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000726602658 926756895 /nfs/dbraw/zinc/75/68/95/926756895.db2.gz YIEBBZRUFQWXHB-HZPDHXFCSA-N 1 1 393.484 3.741 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCCC[C@H]3Cc3ccccc3)n2)c1 ZINC000750604610 927744510 /nfs/dbraw/zinc/74/45/10/927744510.db2.gz WFEMYJJZMQWDTL-IBGZPJMESA-N 1 1 377.448 3.908 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000751959134 928512204 /nfs/dbraw/zinc/51/22/04/928512204.db2.gz LFDRFSALFBCNKH-HXUWFJFHSA-N 1 1 380.448 3.626 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000751959134 928512213 /nfs/dbraw/zinc/51/22/13/928512213.db2.gz LFDRFSALFBCNKH-HXUWFJFHSA-N 1 1 380.448 3.626 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000752069498 928582535 /nfs/dbraw/zinc/58/25/35/928582535.db2.gz PEYAFCXRNKSMCX-HZPDHXFCSA-N 1 1 393.484 3.599 20 5 GHBDMO COCC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467272281 928900606 /nfs/dbraw/zinc/90/06/06/928900606.db2.gz AKXDVBRKNQBFMA-KBPBESRZSA-N 1 1 383.876 3.714 20 5 GHBDMO COCC[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467272281 928900619 /nfs/dbraw/zinc/90/06/19/928900619.db2.gz AKXDVBRKNQBFMA-KBPBESRZSA-N 1 1 383.876 3.714 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000467556646 929200043 /nfs/dbraw/zinc/20/00/43/929200043.db2.gz XRFJFDGVDVOBSF-VQIMIIECSA-N 1 1 398.459 3.915 20 5 GHBDMO COc1ccc([C@H]2[C@H](COC(=O)c3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000757902035 929848093 /nfs/dbraw/zinc/84/80/93/929848093.db2.gz NGBVUPJIBYROTA-JXFKEZNVSA-N 1 1 384.432 3.843 20 5 GHBDMO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000758252762 929988449 /nfs/dbraw/zinc/98/84/49/929988449.db2.gz SPZBKACUNYWPRR-HKPXRNKTSA-N 1 1 381.432 3.638 20 5 GHBDMO Cc1nn(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000758265348 929995170 /nfs/dbraw/zinc/99/51/70/929995170.db2.gz WRNCOQFJNPZBEV-APWZRJJASA-N 1 1 399.426 3.597 20 5 GHBDMO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780768676 930594577 /nfs/dbraw/zinc/59/45/77/930594577.db2.gz TYICVIMHBZEVJE-MZMPZRCHSA-N 1 1 386.477 3.581 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000783846508 931688332 /nfs/dbraw/zinc/68/83/32/931688332.db2.gz RCAOHVQJTZLRRY-SJLPKXTDSA-N 1 1 397.500 3.830 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000784006136 931751909 /nfs/dbraw/zinc/75/19/09/931751909.db2.gz CIJFCCLVRKFSMF-DNVCBOLYSA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000784006136 931751912 /nfs/dbraw/zinc/75/19/12/931751912.db2.gz CIJFCCLVRKFSMF-DNVCBOLYSA-N 1 1 393.447 3.903 20 5 GHBDMO C/C(=C/C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784074105 931775865 /nfs/dbraw/zinc/77/58/65/931775865.db2.gz RSWGUUOWKVRERO-JIHAQRTOSA-N 1 1 379.460 3.731 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000784145668 931797533 /nfs/dbraw/zinc/79/75/33/931797533.db2.gz ZKIHJWYINHSXDY-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000784145668 931797536 /nfs/dbraw/zinc/79/75/36/931797536.db2.gz ZKIHJWYINHSXDY-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO Cc1ccc(N(C)[C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000784375760 931874597 /nfs/dbraw/zinc/87/45/97/931874597.db2.gz VEBROOQMIDNZJV-FQEVSTJZSA-N 1 1 397.475 3.871 20 5 GHBDMO CCc1ccc([C@@H](NC[C@H]2CC[N@H+]2C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000927105882 932414529 /nfs/dbraw/zinc/41/45/29/932414529.db2.gz VSTDLPRWFWAJRU-KNQAVFIVSA-N 1 1 399.491 3.683 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]C[C@H]2CCN2C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000927105882 932414531 /nfs/dbraw/zinc/41/45/31/932414531.db2.gz VSTDLPRWFWAJRU-KNQAVFIVSA-N 1 1 399.491 3.683 20 5 GHBDMO C[C@@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000798525546 932690345 /nfs/dbraw/zinc/69/03/45/932690345.db2.gz XSYPFGWOBACKNG-VGOFRKELSA-N 1 1 381.476 3.727 20 5 GHBDMO Cn1ccnc1[C@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560536886 933321692 /nfs/dbraw/zinc/32/16/92/933321692.db2.gz GCONNYJUYFNPMI-NHCUHLMSSA-N 1 1 397.523 3.804 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC001116484536 933585215 /nfs/dbraw/zinc/58/52/15/933585215.db2.gz YBGQQNLGOXSXRT-NSHDSACASA-N 1 1 397.353 3.933 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@](C)(CO)C2)cc1OC ZINC001116530077 933613657 /nfs/dbraw/zinc/61/36/57/933613657.db2.gz CUKBVBUSCJUXCI-YWZLYKJASA-N 1 1 380.485 3.623 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@](C)(CO)C2)cc1OC ZINC001116530077 933613659 /nfs/dbraw/zinc/61/36/59/933613659.db2.gz CUKBVBUSCJUXCI-YWZLYKJASA-N 1 1 380.485 3.623 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001116604615 933658782 /nfs/dbraw/zinc/65/87/82/933658782.db2.gz SLKKYIICQAKKGB-AZUAARDMSA-N 1 1 396.491 3.970 20 5 GHBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1c2ccccc2cc2ccccc21 ZINC001116653956 933685735 /nfs/dbraw/zinc/68/57/35/933685735.db2.gz GYKWMTFAGYFUFW-GOSISDBHSA-N 1 1 375.516 3.749 20 5 GHBDMO COc1ccc([C@@H](CCO)[NH2+]Cc2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000930188042 933882962 /nfs/dbraw/zinc/88/29/62/933882962.db2.gz KHPJHUABZYXYNR-QGZVFWFLSA-N 1 1 395.253 3.579 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000930228935 933907650 /nfs/dbraw/zinc/90/76/50/933907650.db2.gz XZFSYRFWYZFXDV-INIZCTEOSA-N 1 1 379.254 3.961 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@](O)(c4ccccc4)C3)co2)cc1 ZINC001118845765 934261873 /nfs/dbraw/zinc/26/18/73/934261873.db2.gz UQHDIJBDQDIRDT-NRFANRHFSA-N 1 1 379.416 3.733 20 5 GHBDMO CC(C)(NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000561706006 934382110 /nfs/dbraw/zinc/38/21/10/934382110.db2.gz AUZFLTJOVXPUGL-KRWDZBQOSA-N 1 1 399.466 3.997 20 5 GHBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000561784978 934452456 /nfs/dbraw/zinc/45/24/56/934452456.db2.gz NMLGHABFHCOYIL-GOSISDBHSA-N 1 1 399.447 3.985 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001138010729 935926201 /nfs/dbraw/zinc/92/62/01/935926201.db2.gz MWRLFKCVTBAWBL-UHFFFAOYSA-N 1 1 389.883 3.818 20 5 GHBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460988718 1069320878 /nfs/dbraw/zinc/32/08/78/1069320878.db2.gz VLDPPGJKPGTVHO-INIZCTEOSA-N 1 1 381.448 3.955 20 5 GHBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460988718 1069320896 /nfs/dbraw/zinc/32/08/96/1069320896.db2.gz VLDPPGJKPGTVHO-INIZCTEOSA-N 1 1 381.448 3.955 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](Nc4ncccn4)C3)s2)cc1 ZINC000520408403 1014560959 /nfs/dbraw/zinc/56/09/59/1014560959.db2.gz LCKUYQHYLATNET-HNNXBMFYSA-N 1 1 381.461 3.800 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2CC(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000468288497 1015549012 /nfs/dbraw/zinc/54/90/12/1015549012.db2.gz KDEROCHUOSHHPT-AWEZNQCLSA-N 1 1 390.461 3.781 20 5 GHBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000468490389 1015749094 /nfs/dbraw/zinc/74/90/94/1015749094.db2.gz YVKUVIXJQADSKB-SFHVURJKSA-N 1 1 395.478 3.671 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001226808681 1032138762 /nfs/dbraw/zinc/13/87/62/1032138762.db2.gz WYPVSCIIPUAUOJ-XOBRGWDASA-N 1 1 396.422 3.967 20 5 GHBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000557919370 1017072830 /nfs/dbraw/zinc/07/28/30/1017072830.db2.gz CYXXNZCLUGMFTI-INIZCTEOSA-N 1 1 385.489 3.912 20 5 GHBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000557919370 1017072840 /nfs/dbraw/zinc/07/28/40/1017072840.db2.gz CYXXNZCLUGMFTI-INIZCTEOSA-N 1 1 385.489 3.912 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001227187671 1032314850 /nfs/dbraw/zinc/31/48/50/1032314850.db2.gz PTIAVHWHXZAVBG-GOSISDBHSA-N 1 1 386.448 3.662 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001227187671 1032314862 /nfs/dbraw/zinc/31/48/62/1032314862.db2.gz PTIAVHWHXZAVBG-GOSISDBHSA-N 1 1 386.448 3.662 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001227468407 1032431731 /nfs/dbraw/zinc/43/17/31/1032431731.db2.gz YMBOSQLECVSCME-KVSKMBFKSA-N 1 1 383.404 3.792 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccc(Br)c1 ZINC000559871309 1017508370 /nfs/dbraw/zinc/50/83/70/1017508370.db2.gz OBRCHRRZZPIIDU-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560527782 1017653419 /nfs/dbraw/zinc/65/34/19/1017653419.db2.gz FEEGJDIRJGZIHL-UXHICEINSA-N 1 1 385.512 3.662 20 5 GHBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc4cc5ccccc5nc43)C[C@H]1[N@H+]2C ZINC001228176984 1032824964 /nfs/dbraw/zinc/82/49/64/1032824964.db2.gz VLLNPENYBCZWCX-GWOFKNCZSA-N 1 1 376.456 3.934 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc(C)ccc3[N+](=O)[O-])C2)s1 ZINC000578994090 1020378989 /nfs/dbraw/zinc/37/89/89/1020378989.db2.gz LYJUWPXRIOFQMZ-MRXNPFEDSA-N 1 1 387.505 3.867 20 5 GHBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000191493250 1020772449 /nfs/dbraw/zinc/77/24/49/1020772449.db2.gz RATIPSKBYNDLCO-FQEVSTJZSA-N 1 1 395.459 3.982 20 5 GHBDMO CC(C)C[C@@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795431448 1021060383 /nfs/dbraw/zinc/06/03/83/1021060383.db2.gz GRNRHGQVCUFJSI-LBPRGKRZSA-N 1 1 396.285 3.639 20 5 GHBDMO CC(C)C[C@@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795431448 1021060391 /nfs/dbraw/zinc/06/03/91/1021060391.db2.gz GRNRHGQVCUFJSI-LBPRGKRZSA-N 1 1 396.285 3.639 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000796116543 1021110177 /nfs/dbraw/zinc/11/01/77/1021110177.db2.gz VMEOQQOFPGGZRM-MRXNPFEDSA-N 1 1 377.485 3.716 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nc1 ZINC000748817886 1021721954 /nfs/dbraw/zinc/72/19/54/1021721954.db2.gz ROEYCCMUXKMSPM-AWEZNQCLSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nc1 ZINC000748817886 1021721969 /nfs/dbraw/zinc/72/19/69/1021721969.db2.gz ROEYCCMUXKMSPM-AWEZNQCLSA-N 1 1 388.855 3.802 20 5 GHBDMO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC001156389540 1033012778 /nfs/dbraw/zinc/01/27/78/1033012778.db2.gz XLRYUOJMFJSIPQ-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO COC(=O)c1cc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc([N+](=O)[O-])c1 ZINC001228770194 1033087696 /nfs/dbraw/zinc/08/76/96/1033087696.db2.gz HMLLYJLIQUYSCU-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO C[C@@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755885325 1023421251 /nfs/dbraw/zinc/42/12/51/1023421251.db2.gz ZYESFJZYXPQZGU-YLJYHZDGSA-N 1 1 382.460 3.981 20 5 GHBDMO CCCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cc(C)on1 ZINC000756882847 1023845684 /nfs/dbraw/zinc/84/56/84/1023845684.db2.gz LWBDXJQLFRHZIT-HNNXBMFYSA-N 1 1 380.832 3.832 20 5 GHBDMO CCCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCc2ncsc2C1 ZINC000830817367 1024164940 /nfs/dbraw/zinc/16/49/40/1024164940.db2.gz XSEPBWLVCQILIF-YJBOKZPZSA-N 1 1 375.494 3.744 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000830958714 1024274275 /nfs/dbraw/zinc/27/42/75/1024274275.db2.gz WVODEEZHRHYWLN-OLUCIUBSSA-N 1 1 395.887 3.591 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000830958714 1024274292 /nfs/dbraw/zinc/27/42/92/1024274292.db2.gz WVODEEZHRHYWLN-OLUCIUBSSA-N 1 1 395.887 3.591 20 5 GHBDMO O=C1O[C@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1c1ccccc1 ZINC000831539195 1024627068 /nfs/dbraw/zinc/62/70/68/1024627068.db2.gz OPMRZILBLNIGBZ-FXAWDEMLSA-N 1 1 381.432 3.800 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539619 1024628828 /nfs/dbraw/zinc/62/88/28/1024628828.db2.gz SUITXIBKEXMLBT-HOCLYGCPSA-N 1 1 398.419 3.710 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539619 1024628837 /nfs/dbraw/zinc/62/88/37/1024628837.db2.gz SUITXIBKEXMLBT-HOCLYGCPSA-N 1 1 398.419 3.710 20 5 GHBDMO COC(=O)c1ccc2c(c1)[C@@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)CCC2 ZINC001161931737 1025502079 /nfs/dbraw/zinc/50/20/79/1025502079.db2.gz IHCFVAVNEDIYBD-BBVFFXRHSA-N 1 1 396.447 3.798 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)c1F ZINC000832406513 1025532301 /nfs/dbraw/zinc/53/23/01/1025532301.db2.gz XLODNPUAXXJGRP-UHFFFAOYSA-N 1 1 381.423 3.589 20 5 GHBDMO COc1cc(C[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)ccc1[N+](=O)[O-] ZINC000839155093 1025656499 /nfs/dbraw/zinc/65/64/99/1025656499.db2.gz KZJILVVOCCSPKI-FQEVSTJZSA-N 1 1 392.402 3.827 20 5 GHBDMO Cc1cc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162356301 1025723755 /nfs/dbraw/zinc/72/37/55/1025723755.db2.gz UTPMAUCUNKODNS-OAHLLOKOSA-N 1 1 383.496 3.705 20 5 GHBDMO COC(=O)/C=C/c1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001162545845 1025788134 /nfs/dbraw/zinc/78/81/34/1025788134.db2.gz WBJDITSLLHURNF-FMAYLGMYSA-N 1 1 395.459 3.858 20 5 GHBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](O)c1ccccc1Br ZINC000832671964 1025822129 /nfs/dbraw/zinc/82/21/29/1025822129.db2.gz GYVUWKIRSIYOAY-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](O)c1ccccc1Br ZINC000832671964 1025822145 /nfs/dbraw/zinc/82/21/45/1025822145.db2.gz GYVUWKIRSIYOAY-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO COc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000839454235 1025941766 /nfs/dbraw/zinc/94/17/66/1025941766.db2.gz FYQJCSVFQXEXOT-GFCCVEGCSA-N 1 1 377.828 3.888 20 5 GHBDMO COc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000839454235 1025941770 /nfs/dbraw/zinc/94/17/70/1025941770.db2.gz FYQJCSVFQXEXOT-GFCCVEGCSA-N 1 1 377.828 3.888 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839503906 1025990774 /nfs/dbraw/zinc/99/07/74/1025990774.db2.gz KAJQIUVHOUOPQK-CQSZACIVSA-N 1 1 382.302 3.521 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1n1ccnc1 ZINC000839524969 1026008355 /nfs/dbraw/zinc/00/83/55/1026008355.db2.gz OBLHWZQVUAWZSR-IUODEOHRSA-N 1 1 379.258 3.637 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1n1ccnc1 ZINC000839524969 1026008372 /nfs/dbraw/zinc/00/83/72/1026008372.db2.gz OBLHWZQVUAWZSR-IUODEOHRSA-N 1 1 379.258 3.637 20 5 GHBDMO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1Br ZINC000839525637 1026010571 /nfs/dbraw/zinc/01/05/71/1026010571.db2.gz VOORONYMARQNAR-CZUORRHYSA-N 1 1 394.313 3.806 20 5 GHBDMO CCOc1cnc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c([N+](=O)[O-])c1 ZINC001164484663 1026524720 /nfs/dbraw/zinc/52/47/20/1026524720.db2.gz GLMVWZBSLZBYPL-NZSAHSFTSA-N 1 1 382.464 3.711 20 5 GHBDMO CC[N@@H+](CCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CCCCC1 ZINC001165302269 1026696454 /nfs/dbraw/zinc/69/64/54/1026696454.db2.gz HKILAQJNNHNSMO-UHFFFAOYSA-N 1 1 399.495 3.759 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N2CCC(Sc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC001166989359 1027178909 /nfs/dbraw/zinc/17/89/09/1027178909.db2.gz XEZXLFCCNFJHOQ-BJMVGYQFSA-N 1 1 385.493 3.678 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1 ZINC001214489634 1028757790 /nfs/dbraw/zinc/75/77/90/1028757790.db2.gz GSPDEOVLJHCBKT-MRXNPFEDSA-N 1 1 388.855 3.953 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(C(F)(F)F)CCCC1 ZINC000842367550 1029221718 /nfs/dbraw/zinc/22/17/18/1029221718.db2.gz XUVSNNMKIOMAHZ-HNNXBMFYSA-N 1 1 386.370 3.835 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(C(F)(F)F)CCCC1 ZINC000842367550 1029221728 /nfs/dbraw/zinc/22/17/28/1029221728.db2.gz XUVSNNMKIOMAHZ-HNNXBMFYSA-N 1 1 386.370 3.835 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001216139944 1029540002 /nfs/dbraw/zinc/54/00/02/1029540002.db2.gz BENQGIMEPIPFBF-CYBMUJFWSA-N 1 1 386.374 3.752 20 5 GHBDMO COc1cc(F)cc(-c2noc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])n2)c1 ZINC001216552593 1029683672 /nfs/dbraw/zinc/68/36/72/1029683672.db2.gz DUGGCVIUFDYFSA-UHFFFAOYSA-N 1 1 395.350 3.954 20 5 GHBDMO Clc1c2ccccc2c(C[N@@H+]2CCOC[C@]3(CNCCO3)C2)c2ccccc12 ZINC001222191634 1029995512 /nfs/dbraw/zinc/99/55/12/1029995512.db2.gz OALHWIRUSKIUPC-QHCPKHFHSA-N 1 1 396.918 3.837 20 5 GHBDMO Clc1c2ccccc2c(C[N@H+]2CCOC[C@]3(CNCCO3)C2)c2ccccc12 ZINC001222191634 1029995518 /nfs/dbraw/zinc/99/55/18/1029995518.db2.gz OALHWIRUSKIUPC-QHCPKHFHSA-N 1 1 396.918 3.837 20 5 GHBDMO COC(=O)[C@H](O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001223648079 1030681899 /nfs/dbraw/zinc/68/18/99/1030681899.db2.gz LWQHFIVEAYPOBS-ZLGUVYLKSA-N 1 1 398.459 3.736 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccc2[nH]cnc2c1 ZINC001151094271 1030769573 /nfs/dbraw/zinc/76/95/73/1030769573.db2.gz ZCCDOXPPGQUXOG-UHFFFAOYSA-N 1 1 397.438 3.820 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@@H](C)C2C[NH2+]C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218198373 1030820738 /nfs/dbraw/zinc/82/07/38/1030820738.db2.gz ITZKPYGKZROUSU-ZDUSSCGKSA-N 1 1 395.455 3.853 20 5 GHBDMO CCOc1cc(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001219318833 1031355268 /nfs/dbraw/zinc/35/52/68/1031355268.db2.gz ZYRYSBZDZZUCPX-OAHLLOKOSA-N 1 1 386.452 3.636 20 5 GHBDMO COc1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CC(C)(C)O2)ccc1[N+](=O)[O-] ZINC001225441456 1031415421 /nfs/dbraw/zinc/41/54/21/1031415421.db2.gz OQCSXWZLEJJFKZ-GOSISDBHSA-N 1 1 386.448 3.662 20 5 GHBDMO COc1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CC(C)(C)O2)ccc1[N+](=O)[O-] ZINC001225441456 1031415431 /nfs/dbraw/zinc/41/54/31/1031415431.db2.gz OQCSXWZLEJJFKZ-GOSISDBHSA-N 1 1 386.448 3.662 20 5 GHBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])C[C@H]1[N@H+]2C ZINC001226386639 1031941685 /nfs/dbraw/zinc/94/16/85/1031941685.db2.gz POMIJYTZXXPUKA-VWNVYAMZSA-N 1 1 396.443 3.807 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226437045 1031959772 /nfs/dbraw/zinc/95/97/72/1031959772.db2.gz SCRJKWBFUUFIOM-YWZLYKJASA-N 1 1 378.432 3.827 20 5 GHBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001229899254 1033782793 /nfs/dbraw/zinc/78/27/93/1033782793.db2.gz KDCPWWMKGAIUFF-QGZVFWFLSA-N 1 1 384.432 3.733 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001230251286 1033962150 /nfs/dbraw/zinc/96/21/50/1033962150.db2.gz PCIGRFPVJBMFRS-WMLDXEAASA-N 1 1 384.436 3.553 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)c1[N+](=O)[O-] ZINC001206761656 1033973803 /nfs/dbraw/zinc/97/38/03/1033973803.db2.gz DNCJATJAZHJDDS-GFCCVEGCSA-N 1 1 392.839 3.966 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001207103677 1034095279 /nfs/dbraw/zinc/09/52/79/1034095279.db2.gz ZCGNBBMUYYJRQC-WBVHZDCISA-N 1 1 380.448 3.594 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2ccc(Cl)nc2[N+](=O)[O-])O1 ZINC001230880096 1034267781 /nfs/dbraw/zinc/26/77/81/1034267781.db2.gz WXMNOFZDTZAGLA-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2ccc(Cl)nc2[N+](=O)[O-])O1 ZINC001230880096 1034267793 /nfs/dbraw/zinc/26/77/93/1034267793.db2.gz WXMNOFZDTZAGLA-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC001231235479 1034475494 /nfs/dbraw/zinc/47/54/94/1034475494.db2.gz ZSMSAJPWRDCHGP-JGPRNRPPSA-N 1 1 375.303 3.526 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)C1 ZINC001231333765 1034526694 /nfs/dbraw/zinc/52/66/94/1034526694.db2.gz CODHXHXHTHCATN-MAUKXSAKSA-N 1 1 387.439 3.902 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001461916891 1069880266 /nfs/dbraw/zinc/88/02/66/1069880266.db2.gz QPVWWUDCEPCZNR-NXNYUAIASA-N 1 1 379.460 3.893 20 5 GHBDMO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@]4(C[C@H](OCC5CC5)CO4)C3)nc12 ZINC001232221911 1035170211 /nfs/dbraw/zinc/17/02/11/1035170211.db2.gz MIEKOOVDMWCEPO-URXFXBBRSA-N 1 1 389.499 3.943 20 5 GHBDMO c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)nc1 ZINC001232221801 1035170387 /nfs/dbraw/zinc/17/03/87/1035170387.db2.gz CUAJVGKWSHSKKB-OYRHEFFESA-N 1 1 395.510 3.742 20 5 GHBDMO c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccc5ccc6cccnc6c5n4)C[C@H]3C2)nc1 ZINC001232221801 1035170391 /nfs/dbraw/zinc/17/03/91/1035170391.db2.gz CUAJVGKWSHSKKB-OYRHEFFESA-N 1 1 395.510 3.742 20 5 GHBDMO c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccc5ccc6cccnc6c5n4)C[C@H]3C2)nc1 ZINC001232221801 1035170395 /nfs/dbraw/zinc/17/03/95/1035170395.db2.gz CUAJVGKWSHSKKB-OYRHEFFESA-N 1 1 395.510 3.742 20 5 GHBDMO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232223462 1035171438 /nfs/dbraw/zinc/17/14/38/1035171438.db2.gz ZOJDUINHDVMFFB-NZQKXSOJSA-N 1 1 377.488 3.943 20 5 GHBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3nc(C)cc(Cl)c3[N+](=O)[O-])C2)c1 ZINC001161188173 1035171941 /nfs/dbraw/zinc/17/19/41/1035171941.db2.gz RQXGOJZNKXTEJN-AWEZNQCLSA-N 1 1 376.844 3.647 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001461991642 1069933426 /nfs/dbraw/zinc/93/34/26/1069933426.db2.gz SBWQFTPTURJHNY-OAHLLOKOSA-N 1 1 387.867 3.696 20 5 GHBDMO COc1ccc(C[C@@H](C)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001246682874 1037544878 /nfs/dbraw/zinc/54/48/78/1037544878.db2.gz OMNDWOYTJFPZBI-ODOSVJCGSA-N 1 1 395.503 3.614 20 5 GHBDMO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233746554 1039586861 /nfs/dbraw/zinc/58/68/61/1039586861.db2.gz CCNCDBSIMRKALL-NWDGAFQWSA-N 1 1 382.342 3.618 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233746554 1039586873 /nfs/dbraw/zinc/58/68/73/1039586873.db2.gz CCNCDBSIMRKALL-NWDGAFQWSA-N 1 1 382.342 3.618 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001233985492 1039744473 /nfs/dbraw/zinc/74/44/73/1039744473.db2.gz YVWBRFDHNQIWKD-FUHWJXTLSA-N 1 1 385.464 3.514 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001254389729 1040204974 /nfs/dbraw/zinc/20/49/74/1040204974.db2.gz CGPGFZVGPAHYAB-HXUWFJFHSA-N 1 1 388.512 3.576 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254478574 1040263685 /nfs/dbraw/zinc/26/36/85/1040263685.db2.gz GZXCEEDFDJFMDH-INIZCTEOSA-N 1 1 389.496 3.617 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H]3COCc3ccccc3)CC2)cc1 ZINC001254479457 1040265433 /nfs/dbraw/zinc/26/54/33/1040265433.db2.gz ZXIIOBBGNCDWOZ-QFIPXVFZSA-N 1 1 381.476 3.855 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254479516 1040266043 /nfs/dbraw/zinc/26/60/43/1040266043.db2.gz CXTUBXZXTUMZMA-IBGZPJMESA-N 1 1 394.519 3.942 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001254537792 1040308629 /nfs/dbraw/zinc/30/86/29/1040308629.db2.gz HPPSNVWGHDEWDH-CJNGLKHVSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001254551503 1040318312 /nfs/dbraw/zinc/31/83/12/1040318312.db2.gz CHSRQDHIJACZRA-QRWLVFNGSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001254551739 1040319237 /nfs/dbraw/zinc/31/92/37/1040319237.db2.gz FAPCLESHSQBNHC-CVEARBPZSA-N 1 1 377.485 3.715 20 5 GHBDMO Cc1cccc(N2C[C@@]3(CC[N@H+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C3)CC2=O)c1 ZINC001254555099 1040324907 /nfs/dbraw/zinc/32/49/07/1040324907.db2.gz FRYIYIHAMLPAAU-JPYJTQIMSA-N 1 1 393.487 3.963 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2c1cnn2CC1CC1 ZINC001254560807 1040332080 /nfs/dbraw/zinc/33/20/80/1040332080.db2.gz HKTJSVMWNALXQC-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2c1cnn2CC1CC1 ZINC001254560807 1040332096 /nfs/dbraw/zinc/33/20/96/1040332096.db2.gz HKTJSVMWNALXQC-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254559651 1040332274 /nfs/dbraw/zinc/33/22/74/1040332274.db2.gz LNHIZNCMXLHWHC-NXHRZFHOSA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001254560040 1040332683 /nfs/dbraw/zinc/33/26/83/1040332683.db2.gz OTAAZCOVSCLLON-NVXWUHKLSA-N 1 1 377.485 3.905 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2c1cnn2CC1CC1 ZINC001254560809 1040333390 /nfs/dbraw/zinc/33/33/90/1040333390.db2.gz HKTJSVMWNALXQC-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2c1cnn2CC1CC1 ZINC001254560809 1040333406 /nfs/dbraw/zinc/33/34/06/1040333406.db2.gz HKTJSVMWNALXQC-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ncc(Br)cc2C1 ZINC001254563616 1040339313 /nfs/dbraw/zinc/33/93/13/1040339313.db2.gz ZLUDTDSJQSNQQG-GFCCVEGCSA-N 1 1 376.254 3.742 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccncc1 ZINC001254590030 1040364239 /nfs/dbraw/zinc/36/42/39/1040364239.db2.gz STUVZZSIHHOJRJ-XMSQKQJNSA-N 1 1 399.454 3.723 20 5 GHBDMO C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600599 1040371723 /nfs/dbraw/zinc/37/17/23/1040371723.db2.gz SPIJLAXAKLFBSP-ALKREAHSSA-N 1 1 389.496 3.687 20 5 GHBDMO C[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604318 1040373983 /nfs/dbraw/zinc/37/39/83/1040373983.db2.gz VIKICRCMXHSHLQ-KXBFYZLASA-N 1 1 389.496 3.641 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC([N@H+]3CCc4ccccc4C3)CC1)C2 ZINC001254603031 1040375492 /nfs/dbraw/zinc/37/54/92/1040375492.db2.gz KQURDWXFQSKJOV-HSZRJFAPSA-N 1 1 377.488 3.585 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(N3CCc4ccccc4C3)CC1)C2 ZINC001254603031 1040375502 /nfs/dbraw/zinc/37/55/02/1040375502.db2.gz KQURDWXFQSKJOV-HSZRJFAPSA-N 1 1 377.488 3.585 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C)CCC(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001256099917 1041527031 /nfs/dbraw/zinc/52/70/31/1041527031.db2.gz ZVVLQFBQPPVWSY-UHFFFAOYSA-N 1 1 397.475 3.777 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001294190184 1044516021 /nfs/dbraw/zinc/51/60/21/1044516021.db2.gz SLKTUSYSXSATMA-KRWDZBQOSA-N 1 1 387.867 3.524 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001294542441 1044691625 /nfs/dbraw/zinc/69/16/25/1044691625.db2.gz NWLMYGXNSZMTSQ-JIPZTSHUSA-N 1 1 399.466 3.549 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC001302035761 1046788779 /nfs/dbraw/zinc/78/87/79/1046788779.db2.gz MPLWZOATESGEMJ-SFHVURJKSA-N 1 1 397.475 3.578 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC001302594314 1046994927 /nfs/dbraw/zinc/99/49/27/1046994927.db2.gz SODGVIDTOUPGTN-SFHVURJKSA-N 1 1 389.496 3.585 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001306985216 1048993200 /nfs/dbraw/zinc/99/32/00/1048993200.db2.gz OLPSJUBYONNSBF-KRWDZBQOSA-N 1 1 379.464 3.820 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001307680982 1049501610 /nfs/dbraw/zinc/50/16/10/1049501610.db2.gz LQJLHNNMCZRIDA-NSHDSACASA-N 1 1 387.267 3.806 20 5 GHBDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307872053 1049653771 /nfs/dbraw/zinc/65/37/71/1049653771.db2.gz KFYLNEMGASMXMJ-JOCHJYFZSA-N 1 1 397.450 3.720 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3F)cc2)C1 ZINC001290892480 1049946116 /nfs/dbraw/zinc/94/61/16/1049946116.db2.gz WMWJXPJWCSDFTL-HNNXBMFYSA-N 1 1 385.439 3.896 20 5 GHBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001308788655 1050093880 /nfs/dbraw/zinc/09/38/80/1050093880.db2.gz KJSDOHKOLXLSAC-OAHLLOKOSA-N 1 1 378.812 3.616 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001308788655 1050093897 /nfs/dbraw/zinc/09/38/97/1050093897.db2.gz KJSDOHKOLXLSAC-OAHLLOKOSA-N 1 1 378.812 3.616 20 5 GHBDMO Cc1cc(NC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cc(C)[nH+]1 ZINC001328714180 1050602745 /nfs/dbraw/zinc/60/27/45/1050602745.db2.gz PJUJRAAVQNBXRW-CQSZACIVSA-N 1 1 386.305 3.593 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)o1 ZINC001329803466 1050907361 /nfs/dbraw/zinc/90/73/61/1050907361.db2.gz YBSGDBMAYYGIEX-IBGZPJMESA-N 1 1 392.839 3.890 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)o1 ZINC001329803466 1050907365 /nfs/dbraw/zinc/90/73/65/1050907365.db2.gz YBSGDBMAYYGIEX-IBGZPJMESA-N 1 1 392.839 3.890 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001311331581 1052025379 /nfs/dbraw/zinc/02/53/79/1052025379.db2.gz NLKGFIHUQDNBMW-QUCCMNQESA-N 1 1 398.463 3.513 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001343473005 1053792469 /nfs/dbraw/zinc/79/24/69/1053792469.db2.gz YUAZBAAWVQWNHK-PBHICJAKSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001343473005 1053792487 /nfs/dbraw/zinc/79/24/87/1053792487.db2.gz YUAZBAAWVQWNHK-PBHICJAKSA-N 1 1 392.818 3.954 20 5 GHBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320643036 1055912655 /nfs/dbraw/zinc/91/26/55/1055912655.db2.gz LFEFYFMJLKZLHU-VZSAFFHGSA-N 1 1 389.839 3.594 20 5 GHBDMO C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001320679000 1055925993 /nfs/dbraw/zinc/92/59/93/1055925993.db2.gz ZHRXIKWZVAWRNC-GRYCIOLGSA-N 1 1 385.258 3.662 20 5 GHBDMO CCc1nn(C)c(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001324072590 1057065082 /nfs/dbraw/zinc/06/50/82/1057065082.db2.gz NCUPHCFTIKRLKW-AYHJJNSGSA-N 1 1 383.496 3.888 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)cc1 ZINC001324578563 1057169177 /nfs/dbraw/zinc/16/91/77/1057169177.db2.gz ZPNIMMAPGAHVJH-UHFFFAOYSA-N 1 1 392.459 3.733 20 5 GHBDMO C[NH2+][C@H](C)CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001325624409 1057347127 /nfs/dbraw/zinc/34/71/27/1057347127.db2.gz DROZXIVIZWYEAX-MRXNPFEDSA-N 1 1 379.464 3.535 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001325990523 1057392354 /nfs/dbraw/zinc/39/23/54/1057392354.db2.gz GQXJDESUWDWDBP-UHFFFAOYSA-N 1 1 393.447 3.638 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001339957398 1059579852 /nfs/dbraw/zinc/57/98/52/1059579852.db2.gz OBABSPDGCAZGIU-KKSFZXQISA-N 1 1 394.475 3.531 20 5 GHBDMO CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001447514086 1059976083 /nfs/dbraw/zinc/97/60/83/1059976083.db2.gz VOCOAJNNPZOXET-KRWDZBQOSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001447514086 1059976085 /nfs/dbraw/zinc/97/60/85/1059976085.db2.gz VOCOAJNNPZOXET-KRWDZBQOSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[N@@H+]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H]1C ZINC001545820781 1062025467 /nfs/dbraw/zinc/02/54/67/1062025467.db2.gz JDNBKALEZRNGJJ-HNNXBMFYSA-N 1 1 385.489 3.912 20 5 GHBDMO CC[N@H+]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H]1C ZINC001545820781 1062025494 /nfs/dbraw/zinc/02/54/94/1062025494.db2.gz JDNBKALEZRNGJJ-HNNXBMFYSA-N 1 1 385.489 3.912 20 5 GHBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001435741754 1062904398 /nfs/dbraw/zinc/90/43/98/1062904398.db2.gz YHZRZHLYPPWWQQ-DLBZAZTESA-N 1 1 396.491 3.762 20 5 GHBDMO CCNc1ccc(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)cc1[N+](=O)[O-] ZINC001436373956 1063411832 /nfs/dbraw/zinc/41/18/32/1063411832.db2.gz YZVRGTJLDWCLHK-UHFFFAOYSA-N 1 1 396.491 3.811 20 5 GHBDMO Cc1ccc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC001458062763 1063538950 /nfs/dbraw/zinc/53/89/50/1063538950.db2.gz UNVLEZNTEWKCDE-UHFFFAOYSA-N 1 1 375.856 3.758 20 5 GHBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001437770883 1063929085 /nfs/dbraw/zinc/92/90/85/1063929085.db2.gz QGBVTHBJFVTRMY-XJKSGUPXSA-N 1 1 395.887 3.539 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC001438197594 1064004388 /nfs/dbraw/zinc/00/43/88/1064004388.db2.gz LFGCSDRYPXKZOY-MRXNPFEDSA-N 1 1 394.475 3.688 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001459462294 1064104466 /nfs/dbraw/zinc/10/44/66/1064104466.db2.gz BBCYFXWXXCEKIR-QFIPXVFZSA-N 1 1 379.460 3.538 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001459462294 1064104472 /nfs/dbraw/zinc/10/44/72/1064104472.db2.gz BBCYFXWXXCEKIR-QFIPXVFZSA-N 1 1 379.460 3.538 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001438879603 1064130364 /nfs/dbraw/zinc/13/03/64/1064130364.db2.gz KPLFEFWGSBLSKM-LJQANCHMSA-N 1 1 394.475 3.748 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001459625441 1064149179 /nfs/dbraw/zinc/14/91/79/1064149179.db2.gz SKKONTACJMHVSS-QFIPXVFZSA-N 1 1 397.475 3.887 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@](C)(CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001459625441 1064149182 /nfs/dbraw/zinc/14/91/82/1064149182.db2.gz SKKONTACJMHVSS-QFIPXVFZSA-N 1 1 397.475 3.887 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC001459993010 1064327767 /nfs/dbraw/zinc/32/77/67/1064327767.db2.gz PCMVZHXLUDGFGP-HNNXBMFYSA-N 1 1 375.469 3.834 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC001463591452 1064485408 /nfs/dbraw/zinc/48/54/08/1064485408.db2.gz IPPOGKHJSHNOOH-UHFFFAOYSA-N 1 1 399.516 3.973 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464091990 1064815513 /nfs/dbraw/zinc/81/55/13/1064815513.db2.gz BWBFZYVHDOZONI-NHCUHLMSSA-N 1 1 395.503 3.944 20 5 GHBDMO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001465485835 1065656333 /nfs/dbraw/zinc/65/63/33/1065656333.db2.gz ARWUKLHRZLJFTH-VOQZNFBZSA-N 1 1 393.487 3.821 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001466251872 1066054941 /nfs/dbraw/zinc/05/49/41/1066054941.db2.gz WZJCHLWIQCEUCM-IBGZPJMESA-N 1 1 398.463 3.636 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001466677387 1066251472 /nfs/dbraw/zinc/25/14/72/1066251472.db2.gz VPJTZGDIRGHLSY-GJZGRUSLSA-N 1 1 386.427 3.861 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC001467502294 1067331247 /nfs/dbraw/zinc/33/12/47/1067331247.db2.gz MQBNYXRNQAECLR-INIZCTEOSA-N 1 1 391.830 3.736 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc4cc[nH]c4c3)C2)cc1 ZINC001460134812 1068803208 /nfs/dbraw/zinc/80/32/08/1068803208.db2.gz YNOJBDDBUYONNL-UYAOXDASSA-N 1 1 395.459 3.695 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC001460181831 1068840267 /nfs/dbraw/zinc/84/02/67/1068840267.db2.gz ZHJHOBHSVNXRIT-MAUKXSAKSA-N 1 1 397.475 3.982 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC001460181831 1068840278 /nfs/dbraw/zinc/84/02/78/1068840278.db2.gz ZHJHOBHSVNXRIT-MAUKXSAKSA-N 1 1 397.475 3.982 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)O1 ZINC001460690230 1069088007 /nfs/dbraw/zinc/08/80/07/1069088007.db2.gz GHPGVBDFHZNWHK-VGOFRKELSA-N 1 1 399.466 3.599 20 5 GHBDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001460779035 1069172827 /nfs/dbraw/zinc/17/28/27/1069172827.db2.gz QOIDIICVYUEXPG-KRWDZBQOSA-N 1 1 379.254 3.831 20 5 GHBDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001460852729 1069222909 /nfs/dbraw/zinc/22/29/09/1069222909.db2.gz RREKAKYBRNVOLU-WHSLLNHNSA-N 1 1 383.448 3.774 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC001460928429 1069280528 /nfs/dbraw/zinc/28/05/28/1069280528.db2.gz IJWDXNKCZQKDDD-NSHDSACASA-N 1 1 382.283 3.878 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC001460928429 1069280536 /nfs/dbraw/zinc/28/05/36/1069280536.db2.gz IJWDXNKCZQKDDD-NSHDSACASA-N 1 1 382.283 3.878 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001471322257 1073018062 /nfs/dbraw/zinc/01/80/62/1073018062.db2.gz RDTQTNFNWHQWKF-IAGOWNOFSA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001471322257 1073018074 /nfs/dbraw/zinc/01/80/74/1073018074.db2.gz RDTQTNFNWHQWKF-IAGOWNOFSA-N 1 1 382.464 3.572 20 5 GHBDMO CC[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001472721148 1073635400 /nfs/dbraw/zinc/63/54/00/1073635400.db2.gz ZEAQKHUYXDMAPN-AEFFLSMTSA-N 1 1 390.871 3.735 20 5 GHBDMO CC[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001472721148 1073635406 /nfs/dbraw/zinc/63/54/06/1073635406.db2.gz ZEAQKHUYXDMAPN-AEFFLSMTSA-N 1 1 390.871 3.735 20 5 GHBDMO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC001472735048 1073642547 /nfs/dbraw/zinc/64/25/47/1073642547.db2.gz MWNREBXAOMRXAH-ZDUSSCGKSA-N 1 1 375.391 3.551 20 5 GHBDMO COC(=O)/C=C\c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001472859334 1073697874 /nfs/dbraw/zinc/69/78/74/1073697874.db2.gz FWEMLBTXYPXULH-QIBOZCLASA-N 1 1 395.459 3.776 20 5 GHBDMO Cc1ccc(C[C@H]2CCC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC001473133817 1073797235 /nfs/dbraw/zinc/79/72/35/1073797235.db2.gz FELQGUWPXJEQAT-LJQANCHMSA-N 1 1 393.487 3.747 20 5 GHBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001473217506 1073867100 /nfs/dbraw/zinc/86/71/00/1073867100.db2.gz AFIZWDMFBKXWMR-OAQYLSRUSA-N 1 1 383.492 3.960 20 5 GHBDMO CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001473217506 1073867111 /nfs/dbraw/zinc/86/71/11/1073867111.db2.gz AFIZWDMFBKXWMR-OAQYLSRUSA-N 1 1 383.492 3.960 20 5 GHBDMO CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001473217506 1073867122 /nfs/dbraw/zinc/86/71/22/1073867122.db2.gz AFIZWDMFBKXWMR-OAQYLSRUSA-N 1 1 383.492 3.960 20 5 GHBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473426630 1073960423 /nfs/dbraw/zinc/96/04/23/1073960423.db2.gz FUQCEWUMFAVWSA-KRWDZBQOSA-N 1 1 399.285 3.769 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001473487042 1073985674 /nfs/dbraw/zinc/98/56/74/1073985674.db2.gz YAOVMCJXMIBZJF-QGZVFWFLSA-N 1 1 383.448 3.812 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001473487042 1073985676 /nfs/dbraw/zinc/98/56/76/1073985676.db2.gz YAOVMCJXMIBZJF-QGZVFWFLSA-N 1 1 383.448 3.812 20 5 GHBDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001473523593 1074000084 /nfs/dbraw/zinc/00/00/84/1074000084.db2.gz KDSPZNHUZZVPLT-CQSZACIVSA-N 1 1 393.846 3.977 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC001473720691 1074106253 /nfs/dbraw/zinc/10/62/53/1074106253.db2.gz AJFUBPJFRRZBLZ-HUUCEWRRSA-N 1 1 393.447 3.678 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001473741683 1074118802 /nfs/dbraw/zinc/11/88/02/1074118802.db2.gz LKLKKGGKASGBCV-GOEBONIOSA-N 1 1 375.469 3.833 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001473741685 1074119061 /nfs/dbraw/zinc/11/90/61/1074119061.db2.gz LKLKKGGKASGBCV-ZBFHGGJFSA-N 1 1 375.469 3.833 20 5 GHBDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cc(F)ccc1OC ZINC001473813782 1074157128 /nfs/dbraw/zinc/15/71/28/1074157128.db2.gz RKCBESYXCPTUSP-WFASDCNBSA-N 1 1 375.400 3.810 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1[C@H](C)c1ccccc1 ZINC001473818674 1074159386 /nfs/dbraw/zinc/15/93/86/1074159386.db2.gz RXYUSHPLIOQDON-BEFAXECRSA-N 1 1 383.448 3.810 20 5 GHBDMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001473847949 1074173532 /nfs/dbraw/zinc/17/35/32/1074173532.db2.gz MUPQXDPGNWJKQX-HXUWFJFHSA-N 1 1 388.468 3.805 20 5 GHBDMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001473847949 1074173536 /nfs/dbraw/zinc/17/35/36/1074173536.db2.gz MUPQXDPGNWJKQX-HXUWFJFHSA-N 1 1 388.468 3.805 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001473849773 1074174517 /nfs/dbraw/zinc/17/45/17/1074174517.db2.gz KBXYBICMSCNGLR-GDBMZVCRSA-N 1 1 377.485 3.886 20 5 GHBDMO CCOc1ccc(CC[N@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC001473868289 1074182418 /nfs/dbraw/zinc/18/24/18/1074182418.db2.gz NXWFXXBOIFFXAO-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO CCOc1ccc(CC[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC001473868289 1074182421 /nfs/dbraw/zinc/18/24/21/1074182421.db2.gz NXWFXXBOIFFXAO-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO COc1c(O)ccc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC001474373577 1074369908 /nfs/dbraw/zinc/36/99/08/1074369908.db2.gz AZASEMSCINAVJH-MRXNPFEDSA-N 1 1 391.512 3.786 20 5 GHBDMO COC(=O)c1ccc(OC)c2c1CC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C2 ZINC001474691109 1074517608 /nfs/dbraw/zinc/51/76/08/1074517608.db2.gz GSQOSNJMEWWRGM-UHFFFAOYSA-N 1 1 384.432 3.565 20 5 GHBDMO COC(=O)c1ccc(OC)c2c1CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C2 ZINC001474691109 1074517612 /nfs/dbraw/zinc/51/76/12/1074517612.db2.gz GSQOSNJMEWWRGM-UHFFFAOYSA-N 1 1 384.432 3.565 20 5 GHBDMO COC(=O)c1cnc([C@H]2CC[N@@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)s1 ZINC001474730754 1074537140 /nfs/dbraw/zinc/53/71/40/1074537140.db2.gz AQVIWWVPUTVFRP-ODDCISTRSA-N 1 1 387.461 3.731 20 5 GHBDMO C[N@H+]1C[C@@]23CN(Cc4cccc([N+](=O)[O-])c4Br)C[C@]2(C1)CCCC3 ZINC001460975182 1069309523 /nfs/dbraw/zinc/30/95/23/1069309523.db2.gz OGNJIGCKOLMGEC-HDICACEKSA-N 1 1 394.313 3.665 20 5 GHBDMO CC(C)[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824289131 608531457 /nfs/dbraw/zinc/53/14/57/608531457.db2.gz VAJRAIROEXQUPN-FNORWQNLSA-N 1 1 378.436 3.699 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)[C@@H]2C ZINC001164859984 720949476 /nfs/dbraw/zinc/94/94/76/720949476.db2.gz OURWJNYULJOUON-OAHLLOKOSA-N 1 1 394.479 3.761 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)s1 ZINC000580824602 837411108 /nfs/dbraw/zinc/41/11/08/837411108.db2.gz BMWONGSJTHWESD-MRXNPFEDSA-N 1 1 387.505 3.867 20 5 GHBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471384582 837452522 /nfs/dbraw/zinc/45/25/22/837452522.db2.gz ORUYSDALVQHGRN-HDICACEKSA-N 1 1 391.427 3.545 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000581221320 837484161 /nfs/dbraw/zinc/48/41/61/837484161.db2.gz RDSCTJLNYLWNIS-KDURUIRLSA-N 1 1 394.475 3.753 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000177997228 837533842 /nfs/dbraw/zinc/53/38/42/837533842.db2.gz HWJLUYLDBPMQLF-TZIWHRDSSA-N 1 1 397.475 3.562 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000173471869 837714661 /nfs/dbraw/zinc/71/46/61/837714661.db2.gz QCCNBYUAALYPKF-OAHLLOKOSA-N 1 1 399.838 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000173471869 837714669 /nfs/dbraw/zinc/71/46/69/837714669.db2.gz QCCNBYUAALYPKF-OAHLLOKOSA-N 1 1 399.838 3.985 20 5 GHBDMO Cc1ccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510081918 834992515 /nfs/dbraw/zinc/99/25/15/834992515.db2.gz CCOZLTXRMVKQLZ-IEBWSBKVSA-N 1 1 381.476 3.934 20 5 GHBDMO COc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]2CCCO2)c1 ZINC000430198002 835008082 /nfs/dbraw/zinc/00/80/82/835008082.db2.gz PWSILKFZRVPOBT-HXUWFJFHSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]2CCCO2)c1 ZINC000430198002 835008091 /nfs/dbraw/zinc/00/80/91/835008091.db2.gz PWSILKFZRVPOBT-HXUWFJFHSA-N 1 1 386.448 3.793 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510087845 835060478 /nfs/dbraw/zinc/06/04/78/835060478.db2.gz RVOCKPBKLYPJHA-HKUYNNGSSA-N 1 1 381.476 3.934 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000708572293 835069472 /nfs/dbraw/zinc/06/94/72/835069472.db2.gz ZDROYSXRBPBKJB-ZFWWWQNUSA-N 1 1 383.477 3.780 20 5 GHBDMO C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583855945 835159541 /nfs/dbraw/zinc/15/95/41/835159541.db2.gz XYOKHFQLBNFMTJ-ROUUACIJSA-N 1 1 381.476 3.679 20 5 GHBDMO C[C@H]1C[N@@H+](CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000432858682 844055985 /nfs/dbraw/zinc/05/59/85/844055985.db2.gz KJQTYITWKCPHFN-KRWDZBQOSA-N 1 1 397.475 3.739 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])s1 ZINC000612133001 835582733 /nfs/dbraw/zinc/58/27/33/835582733.db2.gz RGDXRQPKPHLXMP-GVDBMIGSSA-N 1 1 385.489 3.687 20 5 GHBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000179407488 835682427 /nfs/dbraw/zinc/68/24/27/835682427.db2.gz IBIDJPOCCZVDEZ-UHFFFAOYSA-N 1 1 377.828 3.608 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000278684262 835783388 /nfs/dbraw/zinc/78/33/88/835783388.db2.gz ORHSXSWXLCGMSD-UHFFFAOYSA-N 1 1 375.812 3.635 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000581991098 844091985 /nfs/dbraw/zinc/09/19/85/844091985.db2.gz UIYNNUGAYFTHJF-ZDUSSCGKSA-N 1 1 387.402 3.856 20 5 GHBDMO Cc1c(CC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000510137306 835846833 /nfs/dbraw/zinc/84/68/33/835846833.db2.gz ZOYDXUWNBOANEF-PXNSSMCTSA-N 1 1 395.503 3.863 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1Cl ZINC000179547536 835867257 /nfs/dbraw/zinc/86/72/57/835867257.db2.gz KVTYUMWWMRRLMS-GOSISDBHSA-N 1 1 398.850 3.829 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614191452 835911855 /nfs/dbraw/zinc/91/18/55/835911855.db2.gz CMBSDMVNGPODNJ-QAPCUYQASA-N 1 1 380.448 3.736 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134721694 835913887 /nfs/dbraw/zinc/91/38/87/835913887.db2.gz NGWMHNCJLWXKRF-ZDUSSCGKSA-N 1 1 393.896 3.952 20 5 GHBDMO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1 ZINC000179881607 836226616 /nfs/dbraw/zinc/22/66/16/836226616.db2.gz WCHAQOXPOGDWIR-UHFFFAOYSA-N 1 1 396.390 3.888 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1 ZINC000179881607 836226629 /nfs/dbraw/zinc/22/66/29/836226629.db2.gz WCHAQOXPOGDWIR-UHFFFAOYSA-N 1 1 396.390 3.888 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cc(F)c(F)cc2Br)cc1[N+](=O)[O-] ZINC000513033799 844141566 /nfs/dbraw/zinc/14/15/66/844141566.db2.gz ZYTBBMFPKMHRQO-UHFFFAOYSA-N 1 1 387.180 3.934 20 5 GHBDMO O=[N+]([O-])c1c(NCc2cccc(C[NH+]3CCOCC3)c2)ccc2ncccc21 ZINC000170639754 836506564 /nfs/dbraw/zinc/50/65/64/836506564.db2.gz ZBEKLTYQXDHTPN-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000782083670 836542789 /nfs/dbraw/zinc/54/27/89/836542789.db2.gz JOCFBKNXFXMPBV-CQSZACIVSA-N 1 1 385.645 3.834 20 5 GHBDMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000414210006 836549504 /nfs/dbraw/zinc/54/95/04/836549504.db2.gz LYKPKWKQYVLRNY-LBPRGKRZSA-N 1 1 382.869 3.893 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000174964072 836611893 /nfs/dbraw/zinc/61/18/93/836611893.db2.gz PKVLVZCWCDECQH-MRXNPFEDSA-N 1 1 387.867 3.842 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000452011958 836629466 /nfs/dbraw/zinc/62/94/66/836629466.db2.gz DTTBAGOFKCDEAV-SAABIXHNSA-N 1 1 383.448 3.728 20 5 GHBDMO CN(CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000728930046 844189569 /nfs/dbraw/zinc/18/95/69/844189569.db2.gz FSFGECDBIFYOBX-UHFFFAOYSA-N 1 1 381.448 3.813 20 5 GHBDMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)ccc2NC1=O ZINC000180016791 836686696 /nfs/dbraw/zinc/68/66/96/836686696.db2.gz ASSYECKLCLHIKB-MEDUHNTESA-N 1 1 396.403 3.696 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177527823 837999357 /nfs/dbraw/zinc/99/93/57/837999357.db2.gz CIQLVQBJKWWRRH-CRAIPNDOSA-N 1 1 383.448 3.810 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535694858 844317276 /nfs/dbraw/zinc/31/72/76/844317276.db2.gz POHWNIWRQDVTTK-MAUKXSAKSA-N 1 1 392.459 3.717 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](Cc2ccco2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000053139560 838349250 /nfs/dbraw/zinc/34/92/50/838349250.db2.gz SDHUTITZUATEQF-UHFFFAOYSA-N 1 1 387.436 3.970 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccco2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000053139560 838349258 /nfs/dbraw/zinc/34/92/58/838349258.db2.gz SDHUTITZUATEQF-UHFFFAOYSA-N 1 1 387.436 3.970 20 5 GHBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000046715289 838400644 /nfs/dbraw/zinc/40/06/44/838400644.db2.gz BFIYVYYDDZIZFG-OAHLLOKOSA-N 1 1 382.464 3.603 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001125400024 838425116 /nfs/dbraw/zinc/42/51/16/838425116.db2.gz YDHCDOGSVFHVIR-OBUJGBQQSA-N 1 1 379.460 3.650 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](n4cccn4)C3)o2)c([N+](=O)[O-])c1 ZINC000092967764 838448722 /nfs/dbraw/zinc/44/87/22/838448722.db2.gz ZUZGRDODNIFZGQ-OAHLLOKOSA-N 1 1 382.420 3.897 20 5 GHBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000155591171 838710812 /nfs/dbraw/zinc/71/08/12/838710812.db2.gz TYQLJMOGJXHLFO-CQSZACIVSA-N 1 1 391.855 3.856 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275760303 838755449 /nfs/dbraw/zinc/75/54/49/838755449.db2.gz ZOZUXYIDYPSUHP-LBPRGKRZSA-N 1 1 397.425 3.586 20 5 GHBDMO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167350445 838821901 /nfs/dbraw/zinc/82/19/01/838821901.db2.gz JNQCKSKHYIQWMD-KRWDZBQOSA-N 1 1 393.484 3.695 20 5 GHBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275797428 838906597 /nfs/dbraw/zinc/90/65/97/838906597.db2.gz JSPZTFOTTMIBEC-UHFFFAOYSA-N 1 1 399.441 3.928 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255302899 839171732 /nfs/dbraw/zinc/17/17/32/839171732.db2.gz USBXABDALIMGDY-KQQSKNTNSA-N 1 1 399.413 3.731 20 5 GHBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)C1 ZINC000549190303 839235790 /nfs/dbraw/zinc/23/57/90/839235790.db2.gz OBLWLWKSCXPBDB-JOCHJYFZSA-N 1 1 379.460 3.748 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000398098437 844423978 /nfs/dbraw/zinc/42/39/78/844423978.db2.gz RPWOJBPNZMWLRE-KUHUBIRLSA-N 1 1 387.867 3.889 20 5 GHBDMO Cc1cccc(CC2(O)CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000280625153 839407768 /nfs/dbraw/zinc/40/77/68/839407768.db2.gz WXISIPBTEWESHY-UHFFFAOYSA-N 1 1 381.432 3.614 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cc1OC ZINC000412086909 839482105 /nfs/dbraw/zinc/48/21/05/839482105.db2.gz OSWNXAYPYFVHMY-HRCADAONSA-N 1 1 380.485 3.621 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000122455621 839582620 /nfs/dbraw/zinc/58/26/20/839582620.db2.gz IKTVWYXYYHFKKB-UHFFFAOYSA-N 1 1 396.491 3.703 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000610446121 839708100 /nfs/dbraw/zinc/70/81/00/839708100.db2.gz RLLNBKJCCWTADL-INIZCTEOSA-N 1 1 392.459 3.813 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000610445970 839721212 /nfs/dbraw/zinc/72/12/12/839721212.db2.gz MFVPZBXCOAPBTR-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000548115087 839852591 /nfs/dbraw/zinc/85/25/91/839852591.db2.gz CWKINJAJLSOFEJ-UHFFFAOYSA-N 1 1 388.390 3.952 20 5 GHBDMO Cc1ccccc1OCCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000579743542 839882086 /nfs/dbraw/zinc/88/20/86/839882086.db2.gz GJQRKJVUUWWATP-FQEVSTJZSA-N 1 1 380.448 3.785 20 5 GHBDMO Cc1cn(C[N@@H+]2CC[C@H](c3ccccc3C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728708418 839977793 /nfs/dbraw/zinc/97/77/93/839977793.db2.gz HDVYVCJKFCGWJN-SFHVURJKSA-N 1 1 392.459 3.611 20 5 GHBDMO Cc1cn(C[N@H+]2CC[C@H](c3ccccc3C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728708418 839977803 /nfs/dbraw/zinc/97/78/03/839977803.db2.gz HDVYVCJKFCGWJN-SFHVURJKSA-N 1 1 392.459 3.611 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000119933211 839980233 /nfs/dbraw/zinc/98/02/33/839980233.db2.gz CUGLHMXPWFTZCE-CYBMUJFWSA-N 1 1 382.395 3.648 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000573439239 844539674 /nfs/dbraw/zinc/53/96/74/844539674.db2.gz ZNDWKDFDQJKYNG-UHFFFAOYSA-N 1 1 384.318 3.910 20 5 GHBDMO COc1cc2c(c(OC)c1OC)CC[N@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000432026974 840537605 /nfs/dbraw/zinc/53/76/05/840537605.db2.gz VQQNHWFOOCSMRS-AWEZNQCLSA-N 1 1 386.448 3.782 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511769468 840692688 /nfs/dbraw/zinc/69/26/88/840692688.db2.gz PJPDCLGLKUKWHN-FQEVSTJZSA-N 1 1 381.476 3.934 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000126246105 840846332 /nfs/dbraw/zinc/84/63/32/840846332.db2.gz SCYRUPOYBOTLEL-QGZVFWFLSA-N 1 1 388.512 3.755 20 5 GHBDMO O=[N+]([O-])c1cccc2c(NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)ccnc21 ZINC000432171201 840922705 /nfs/dbraw/zinc/92/27/05/840922705.db2.gz YYASKVSZCHFIAA-GOSISDBHSA-N 1 1 392.459 3.712 20 5 GHBDMO Cc1csc(C[C@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000933124489 840956439 /nfs/dbraw/zinc/95/64/39/840956439.db2.gz ZJFJAKTUUUYQFP-OAHLLOKOSA-N 1 1 388.493 3.561 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000510433658 841720456 /nfs/dbraw/zinc/72/04/56/841720456.db2.gz GBFWIAKRGRVERT-NVXWUHKLSA-N 1 1 393.447 3.527 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000510433658 841720465 /nfs/dbraw/zinc/72/04/65/841720465.db2.gz GBFWIAKRGRVERT-NVXWUHKLSA-N 1 1 393.447 3.527 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603824937 861235170 /nfs/dbraw/zinc/23/51/70/861235170.db2.gz BZWVLOSDGUYUTB-HNNXBMFYSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603824937 861235185 /nfs/dbraw/zinc/23/51/85/861235185.db2.gz BZWVLOSDGUYUTB-HNNXBMFYSA-N 1 1 385.247 3.773 20 5 GHBDMO O=[N+]([O-])c1cccc2c(N[C@@H](C[NH+]3CCOCC3)c3ccccc3)ccnc21 ZINC000432338654 842092045 /nfs/dbraw/zinc/09/20/45/842092045.db2.gz WOLDRDYQUITXIO-IBGZPJMESA-N 1 1 378.432 3.628 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000510462198 842159762 /nfs/dbraw/zinc/15/97/62/842159762.db2.gz WAICACDPDPINKQ-FZMZJTMJSA-N 1 1 398.301 3.611 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000112659303 842368211 /nfs/dbraw/zinc/36/82/11/842368211.db2.gz KWLHGEQEUFFKLW-NRFANRHFSA-N 1 1 399.491 3.751 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093684933 842370010 /nfs/dbraw/zinc/37/00/10/842370010.db2.gz LYHIGJQHKUTSTA-OAHLLOKOSA-N 1 1 387.402 3.526 20 5 GHBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000471808324 842634184 /nfs/dbraw/zinc/63/41/84/842634184.db2.gz DTPJTHZIFPJWDY-PWSUYJOCSA-N 1 1 381.226 3.572 20 5 GHBDMO C[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581918547 842685421 /nfs/dbraw/zinc/68/54/21/842685421.db2.gz DPEBRQZBCCOLAT-MSOLQXFVSA-N 1 1 381.476 3.821 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000120357155 843057461 /nfs/dbraw/zinc/05/74/61/843057461.db2.gz QZFSNYHZZFGDDH-WDEREUQCSA-N 1 1 379.363 3.559 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582714 843130143 /nfs/dbraw/zinc/13/01/43/843130143.db2.gz QMFLJRWPIHUDLH-INIZCTEOSA-N 1 1 380.448 3.832 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000510715505 843266305 /nfs/dbraw/zinc/26/63/05/843266305.db2.gz CXTDEPFADPCGSV-NRFANRHFSA-N 1 1 381.476 3.716 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000933818164 843325474 /nfs/dbraw/zinc/32/54/74/843325474.db2.gz VCJBGFCIGKFNFP-YUXAGFNASA-N 1 1 393.487 3.679 20 5 GHBDMO CCOc1cc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276851585 843553154 /nfs/dbraw/zinc/55/31/54/843553154.db2.gz DSPHGOCCBLIDQP-RMKBEBRYSA-N 1 1 376.478 3.924 20 5 GHBDMO CCOc1cc(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276851585 843553164 /nfs/dbraw/zinc/55/31/64/843553164.db2.gz DSPHGOCCBLIDQP-RMKBEBRYSA-N 1 1 376.478 3.924 20 5 GHBDMO O=[N+]([O-])c1cccc2c(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)ccnc21 ZINC000432322419 843633628 /nfs/dbraw/zinc/63/36/28/843633628.db2.gz BICXAUAEOFNAAB-UHFFFAOYSA-N 1 1 380.423 3.994 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1[N+](=O)[O-] ZINC000276886674 843638635 /nfs/dbraw/zinc/63/86/35/843638635.db2.gz JKZCEMVCGKKUGV-KRWDZBQOSA-N 1 1 399.495 3.691 20 5 GHBDMO COc1ccc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)cc1[N+](=O)[O-] ZINC000500562757 843647304 /nfs/dbraw/zinc/64/73/04/843647304.db2.gz CUCRNDFRVFLKKT-ZDUSSCGKSA-N 1 1 397.200 3.728 20 5 GHBDMO COc1cc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000510885107 843724155 /nfs/dbraw/zinc/72/41/55/843724155.db2.gz VMHXNKQJLHMTNL-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO C[C@H](c1ccc2ccccc2c1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247518946 843827075 /nfs/dbraw/zinc/82/70/75/843827075.db2.gz NELMRTYTJBJWKC-VFNWGFHPSA-N 1 1 380.448 3.531 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000500736133 843907102 /nfs/dbraw/zinc/90/71/02/843907102.db2.gz BYFKGSQTCTZHJV-ZIAGYGMSSA-N 1 1 388.493 3.569 20 5 GHBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)C2)C1 ZINC000433170790 845570484 /nfs/dbraw/zinc/57/04/84/845570484.db2.gz ZOAOQWRHNOXNMW-NRFANRHFSA-N 1 1 396.447 3.947 20 5 GHBDMO Cc1cnc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)s1 ZINC000538737077 845599734 /nfs/dbraw/zinc/59/97/34/845599734.db2.gz BRKCURRJNSIDGG-UHFFFAOYSA-N 1 1 384.461 3.942 20 5 GHBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000513598035 845712689 /nfs/dbraw/zinc/71/26/89/845712689.db2.gz PAIIMYLQEOLQEH-OAQYLSRUSA-N 1 1 396.491 3.568 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2CCCOC2)cc1OC ZINC000543846040 845766418 /nfs/dbraw/zinc/76/64/18/845766418.db2.gz YVIXDSHHGOSANX-HZPDHXFCSA-N 1 1 380.485 3.887 20 5 GHBDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1-n1cccn1 ZINC000183139393 846377379 /nfs/dbraw/zinc/37/73/79/846377379.db2.gz ABWDPFKCGUZIAA-CQSZACIVSA-N 1 1 390.403 3.681 20 5 GHBDMO C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CCc1ccccc1[N+](=O)[O-] ZINC000511076186 846391370 /nfs/dbraw/zinc/39/13/70/846391370.db2.gz VRZWUQCGMLIODR-HXUWFJFHSA-N 1 1 381.476 3.653 20 5 GHBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435327536 846552213 /nfs/dbraw/zinc/55/22/13/846552213.db2.gz HLAVENNXIJPWRB-JTQLQIEISA-N 1 1 387.278 3.518 20 5 GHBDMO Cc1cc(N2CCC(Nc3ccc([N+](=O)[O-])c4ncccc34)CC2)nc(C)[nH+]1 ZINC000413177599 846844142 /nfs/dbraw/zinc/84/41/42/846844142.db2.gz LXXHPHSLQFJLJR-UHFFFAOYSA-N 1 1 378.436 3.631 20 5 GHBDMO COc1ccc(-c2noc([C@@H](C)[N@H+](C)CCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000511108296 847029915 /nfs/dbraw/zinc/02/99/15/847029915.db2.gz MRILKVYRVFZZOC-CQSZACIVSA-N 1 1 382.420 3.889 20 5 GHBDMO COc1ccc(-c2noc([C@@H](C)[N@@H+](C)CCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000511108296 847029920 /nfs/dbraw/zinc/02/99/20/847029920.db2.gz MRILKVYRVFZZOC-CQSZACIVSA-N 1 1 382.420 3.889 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000127590763 847107860 /nfs/dbraw/zinc/10/78/60/847107860.db2.gz KSIOKUHBSXTYEV-GOSISDBHSA-N 1 1 382.464 3.998 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cccc1[N+](=O)[O-] ZINC000562046406 847257473 /nfs/dbraw/zinc/25/74/73/847257473.db2.gz OILCAGGYEYOBAE-OPAMFIHVSA-N 1 1 395.459 3.700 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cccc1[N+](=O)[O-] ZINC000562046406 847257482 /nfs/dbraw/zinc/25/74/82/847257482.db2.gz OILCAGGYEYOBAE-OPAMFIHVSA-N 1 1 395.459 3.700 20 5 GHBDMO CC(C)(NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431434964 847498804 /nfs/dbraw/zinc/49/88/04/847498804.db2.gz XTXUGHGRVKGZTC-QGZVFWFLSA-N 1 1 399.466 3.997 20 5 GHBDMO CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131909391 861819510 /nfs/dbraw/zinc/81/95/10/861819510.db2.gz WCBVRDFXVFBEOR-KRWDZBQOSA-N 1 1 397.475 3.730 20 5 GHBDMO Cc1c(CNC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000479728402 847822123 /nfs/dbraw/zinc/82/21/23/847822123.db2.gz HAXQAEGTZSLPPV-XLIONFOSSA-N 1 1 396.491 3.613 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000131950280 861842280 /nfs/dbraw/zinc/84/22/80/861842280.db2.gz HXRVSLYZOWBUJP-OAHLLOKOSA-N 1 1 378.432 3.899 20 5 GHBDMO CCc1oc(C(=O)OC)cc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000426467868 850277791 /nfs/dbraw/zinc/27/77/91/850277791.db2.gz KNXVZZGZHTYEOP-UHFFFAOYSA-N 1 1 388.420 3.580 20 5 GHBDMO [NH3+]C[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435391153 850459328 /nfs/dbraw/zinc/45/93/28/850459328.db2.gz VMVQUIWOZWFRDL-KRWDZBQOSA-N 1 1 391.475 3.618 20 5 GHBDMO CSc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000185979055 862159037 /nfs/dbraw/zinc/15/90/37/862159037.db2.gz NLFLEQMQUFEHQG-OAHLLOKOSA-N 1 1 389.477 3.867 20 5 GHBDMO CSc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000018110210 850904932 /nfs/dbraw/zinc/90/49/32/850904932.db2.gz NDPKQABDDPEUQW-UHFFFAOYSA-N 1 1 385.489 3.583 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000425421643 851008395 /nfs/dbraw/zinc/00/83/95/851008395.db2.gz ODDINUODKRBFHD-CXAGYDPISA-N 1 1 394.313 3.806 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000425077515 851063781 /nfs/dbraw/zinc/06/37/81/851063781.db2.gz IHYJZYYFEWWDBT-UHFFFAOYSA-N 1 1 378.429 3.599 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)sc2C1 ZINC000425077471 851066168 /nfs/dbraw/zinc/06/61/68/851066168.db2.gz IEYDNDKNAZXYAF-UHFFFAOYSA-N 1 1 399.476 3.942 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000506831451 851101000 /nfs/dbraw/zinc/10/10/00/851101000.db2.gz JAKYKOPEHZMYTL-UHFFFAOYSA-N 1 1 396.491 3.939 20 5 GHBDMO C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+]1CCC[C@@H](C)C1 ZINC000436101683 851199643 /nfs/dbraw/zinc/19/96/43/851199643.db2.gz QMXOKPFRDFQPCT-HZPDHXFCSA-N 1 1 377.488 3.532 20 5 GHBDMO COc1ccc(C[N@H+]2CCCO[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514085097 851221899 /nfs/dbraw/zinc/22/18/99/851221899.db2.gz SXXXNUBOFFTNIN-INIZCTEOSA-N 1 1 386.448 3.793 20 5 GHBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436354081 851493944 /nfs/dbraw/zinc/49/39/44/851493944.db2.gz PETYFHVQYRJWJG-LLVKDONJSA-N 1 1 386.399 3.953 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000430101720 851576474 /nfs/dbraw/zinc/57/64/74/851576474.db2.gz NSSIZCKZIPVKTE-NTEUORMPSA-N 1 1 383.423 3.901 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000430101720 851576477 /nfs/dbraw/zinc/57/64/77/851576477.db2.gz NSSIZCKZIPVKTE-NTEUORMPSA-N 1 1 383.423 3.901 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000488529253 851586018 /nfs/dbraw/zinc/58/60/18/851586018.db2.gz NYGMSJBHTLTZJJ-DLBZAZTESA-N 1 1 377.510 3.700 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000550112327 851621614 /nfs/dbraw/zinc/62/16/14/851621614.db2.gz GNXBTNMNAWIIFV-UHFFFAOYSA-N 1 1 387.867 3.639 20 5 GHBDMO Cc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473773572 851907515 /nfs/dbraw/zinc/90/75/15/851907515.db2.gz DDRZPACANMCOGY-AEFFLSMTSA-N 1 1 382.464 3.935 20 5 GHBDMO CNC(=O)c1ccc(C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C2CC2)cc1 ZINC000729469913 852156734 /nfs/dbraw/zinc/15/67/34/852156734.db2.gz KQRVJNAXUFXSCH-UHFFFAOYSA-N 1 1 397.475 3.906 20 5 GHBDMO CNC(=O)c1ccc(C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C2CC2)cc1 ZINC000729469913 852156736 /nfs/dbraw/zinc/15/67/36/852156736.db2.gz KQRVJNAXUFXSCH-UHFFFAOYSA-N 1 1 397.475 3.906 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000489278951 852183128 /nfs/dbraw/zinc/18/31/28/852183128.db2.gz SYXXSUXJLQLJSJ-UHFFFAOYSA-N 1 1 391.475 3.846 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000555986541 862341583 /nfs/dbraw/zinc/34/15/83/862341583.db2.gz MMNPZEADNOQQTI-INIZCTEOSA-N 1 1 377.488 3.676 20 5 GHBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426002256 852373241 /nfs/dbraw/zinc/37/32/41/852373241.db2.gz ODJLBGVBFRXVJM-SJLPKXTDSA-N 1 1 392.459 3.650 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489633427 852498693 /nfs/dbraw/zinc/49/86/93/852498693.db2.gz RTKNEDOLZQRUQI-IRXDYDNUSA-N 1 1 384.480 3.784 20 5 GHBDMO Cc1cccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000507150516 852599844 /nfs/dbraw/zinc/59/98/44/852599844.db2.gz XHYATSYIJAXERF-UHFFFAOYSA-N 1 1 381.476 3.684 20 5 GHBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000426115065 852727301 /nfs/dbraw/zinc/72/73/01/852727301.db2.gz QSMXUUGDTASJDZ-GOSISDBHSA-N 1 1 397.475 3.636 20 5 GHBDMO COc1cc(C[NH+]2CCC(C(F)F)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490426929 853008696 /nfs/dbraw/zinc/00/86/96/853008696.db2.gz ABNWGLMMVQVSIA-UHFFFAOYSA-N 1 1 380.338 3.724 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000507623222 853097837 /nfs/dbraw/zinc/09/78/37/853097837.db2.gz YBBUXIMSXADMGL-BEFAXECRSA-N 1 1 394.475 3.734 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000507639567 853119244 /nfs/dbraw/zinc/11/92/44/853119244.db2.gz WJUFPIAFIUZLOT-YOEHRIQHSA-N 1 1 385.489 3.882 20 5 GHBDMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437483932 853166163 /nfs/dbraw/zinc/16/61/63/853166163.db2.gz SSBRQFMPIFCFTD-FQEVSTJZSA-N 1 1 393.487 3.998 20 5 GHBDMO C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000437500695 853204122 /nfs/dbraw/zinc/20/41/22/853204122.db2.gz XVKDYBFAMFZHOV-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490806630 853282673 /nfs/dbraw/zinc/28/26/73/853282673.db2.gz PZVHVCPETCDJMV-NVXWUHKLSA-N 1 1 392.459 3.717 20 5 GHBDMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000518568998 853517160 /nfs/dbraw/zinc/51/71/60/853517160.db2.gz QPRVOOVEXFQJKL-UHFFFAOYSA-N 1 1 387.455 3.993 20 5 GHBDMO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000518568998 853517166 /nfs/dbraw/zinc/51/71/66/853517166.db2.gz QPRVOOVEXFQJKL-UHFFFAOYSA-N 1 1 387.455 3.993 20 5 GHBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCc1nc(-c2ccccc2)no1 ZINC000586779904 853543455 /nfs/dbraw/zinc/54/34/55/853543455.db2.gz YFWSZSCXDVVZNZ-UHFFFAOYSA-N 1 1 382.420 3.588 20 5 GHBDMO CC(=O)c1cc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000587993208 854061230 /nfs/dbraw/zinc/06/12/30/854061230.db2.gz QEHPQMGSZRLNNT-IYBDPMFKSA-N 1 1 389.496 3.513 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000589335170 854796405 /nfs/dbraw/zinc/79/64/05/854796405.db2.gz NAUSJCRSZPBZRI-MOPGFXCFSA-N 1 1 394.475 3.889 20 5 GHBDMO C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793302 854826146 /nfs/dbraw/zinc/82/61/46/854826146.db2.gz YVDPVYPKTCQXAO-HRCADAONSA-N 1 1 387.505 3.837 20 5 GHBDMO C[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793302 854826149 /nfs/dbraw/zinc/82/61/49/854826149.db2.gz YVDPVYPKTCQXAO-HRCADAONSA-N 1 1 387.505 3.837 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(C)ccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000482021280 862615325 /nfs/dbraw/zinc/61/53/25/862615325.db2.gz SMGKLMFBVZKNGR-PZJWPPBQSA-N 1 1 395.459 3.620 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C1CCCCC1 ZINC000131565209 854990982 /nfs/dbraw/zinc/99/09/82/854990982.db2.gz MKPMCKAWUYHUHS-LJQANCHMSA-N 1 1 383.448 3.878 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000589580700 855020176 /nfs/dbraw/zinc/02/01/76/855020176.db2.gz FXOVGWGLBFTBCA-IRXDYDNUSA-N 1 1 398.438 3.720 20 5 GHBDMO CN1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000237169180 855031921 /nfs/dbraw/zinc/03/19/21/855031921.db2.gz GNKOAFBYBOMKML-UHFFFAOYSA-N 1 1 394.269 3.801 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301505857 855186233 /nfs/dbraw/zinc/18/62/33/855186233.db2.gz CSHYTZKUIDXHDT-PBHICJAKSA-N 1 1 393.447 3.566 20 5 GHBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273409101 855350101 /nfs/dbraw/zinc/35/01/01/855350101.db2.gz HZTVDBUSJVJUIO-VQIMIIECSA-N 1 1 387.411 3.525 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1C1CCCCC1 ZINC000131667304 855361463 /nfs/dbraw/zinc/36/14/63/855361463.db2.gz QTZCOAAJXAPVNX-SFHVURJKSA-N 1 1 383.448 3.878 20 5 GHBDMO C[C@H]1C[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301610673 855381887 /nfs/dbraw/zinc/38/18/87/855381887.db2.gz CRNTXVVLCGZQFJ-KXBFYZLASA-N 1 1 394.475 3.562 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cc2[N+](=O)[O-])cc1 ZINC000590447065 855423454 /nfs/dbraw/zinc/42/34/54/855423454.db2.gz YBEBAUBSCWAZDW-APWZRJJASA-N 1 1 397.500 3.831 20 5 GHBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)[C@@H]2C1 ZINC000590447566 855425363 /nfs/dbraw/zinc/42/53/63/855425363.db2.gz XVVPZUQGCSVRNN-MAUKXSAKSA-N 1 1 389.521 3.653 20 5 GHBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000164195421 862718013 /nfs/dbraw/zinc/71/80/13/862718013.db2.gz DBEJJCAZWZPVCU-UZLBHIALSA-N 1 1 395.459 3.943 20 5 GHBDMO CC(C)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000126849148 855925468 /nfs/dbraw/zinc/92/54/68/855925468.db2.gz VYQBVNAMJUUKJB-FQEVSTJZSA-N 1 1 396.491 3.988 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000053125074 856168755 /nfs/dbraw/zinc/16/87/55/856168755.db2.gz UGYHVOQOQAGAPR-CYBMUJFWSA-N 1 1 375.400 3.764 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000542869713 856230420 /nfs/dbraw/zinc/23/04/20/856230420.db2.gz IROHJONNDJZPAS-UHFFFAOYSA-N 1 1 385.411 3.581 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000591845667 856343740 /nfs/dbraw/zinc/34/37/40/856343740.db2.gz ZKJGFZQPLZQYMJ-AWEZNQCLSA-N 1 1 376.254 3.817 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000591845667 856343755 /nfs/dbraw/zinc/34/37/55/856343755.db2.gz ZKJGFZQPLZQYMJ-AWEZNQCLSA-N 1 1 376.254 3.817 20 5 GHBDMO C[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000172223525 856374991 /nfs/dbraw/zinc/37/49/91/856374991.db2.gz NUOJDPMROXPQTN-BZSNNMDCSA-N 1 1 388.512 3.952 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3ccon3)CC2)s1 ZINC000172385597 856417923 /nfs/dbraw/zinc/41/79/23/856417923.db2.gz CAVYIAYMJAIGMF-UHFFFAOYSA-N 1 1 384.461 3.629 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001128757011 856454605 /nfs/dbraw/zinc/45/46/05/856454605.db2.gz PWJNVMWYOKUVLO-UHFFFAOYSA-N 1 1 393.871 3.754 20 5 GHBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc2ccccc2c1 ZINC000026857272 856695581 /nfs/dbraw/zinc/69/55/81/856695581.db2.gz SWOPZWBMVRPBPJ-UHFFFAOYSA-N 1 1 393.399 3.547 20 5 GHBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc2ccccc2c1 ZINC000026857272 856695587 /nfs/dbraw/zinc/69/55/87/856695587.db2.gz SWOPZWBMVRPBPJ-UHFFFAOYSA-N 1 1 393.399 3.547 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000592144375 856696221 /nfs/dbraw/zinc/69/62/21/856696221.db2.gz AIQCKROWRVQWRV-MRXNPFEDSA-N 1 1 388.317 3.846 20 5 GHBDMO COc1cccc([C@@H](C)[NH+]2CCN(c3cc(OC)c(F)cc3[N+](=O)[O-])CC2)c1 ZINC000301642530 856749904 /nfs/dbraw/zinc/74/99/04/856749904.db2.gz ZLAPQZROESWKSC-CQSZACIVSA-N 1 1 389.427 3.634 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000592694880 857027960 /nfs/dbraw/zinc/02/79/60/857027960.db2.gz OPAVZZQYIVOZDR-SFHVURJKSA-N 1 1 397.475 3.729 20 5 GHBDMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245731721 857155184 /nfs/dbraw/zinc/15/51/84/857155184.db2.gz JWKNMILJEFSYOT-PKOBYXMFSA-N 1 1 392.477 3.642 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245731721 857155185 /nfs/dbraw/zinc/15/51/85/857155185.db2.gz JWKNMILJEFSYOT-PKOBYXMFSA-N 1 1 392.477 3.642 20 5 GHBDMO C[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1n1ccnc1 ZINC000245758346 857167013 /nfs/dbraw/zinc/16/70/13/857167013.db2.gz ZUSLBXBXPLXRGL-MAUKXSAKSA-N 1 1 381.436 3.572 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)co2)cc1 ZINC000245857573 857183757 /nfs/dbraw/zinc/18/37/57/857183757.db2.gz KIRJWVKNEZFTON-OXJNMPFZSA-N 1 1 382.464 3.699 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000174123875 857213920 /nfs/dbraw/zinc/21/39/20/857213920.db2.gz BZGGWZIGQUOIPV-MRXNPFEDSA-N 1 1 398.463 3.732 20 5 GHBDMO CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000485951231 857242687 /nfs/dbraw/zinc/24/26/87/857242687.db2.gz HVCSKIQDDDGJJL-QUCCMNQESA-N 1 1 397.479 3.563 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000301700576 857245679 /nfs/dbraw/zinc/24/56/79/857245679.db2.gz FNMKRKNMGDPNSA-MOPGFXCFSA-N 1 1 379.460 3.746 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1c1ccc(OC(F)F)cc1 ZINC000174568990 857344687 /nfs/dbraw/zinc/34/46/87/857344687.db2.gz CQPINHQRFIDTBE-CQSZACIVSA-N 1 1 397.403 3.543 20 5 GHBDMO CC1(C)C[N@H+](C2(CNC(=O)Nc3cccc([N+](=O)[O-])c3)CCCCC2)CCO1 ZINC000520894784 857373937 /nfs/dbraw/zinc/37/39/37/857373937.db2.gz RYAFYGVAQBCBCQ-UHFFFAOYSA-N 1 1 390.484 3.530 20 5 GHBDMO COc1ccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592427684 857403391 /nfs/dbraw/zinc/40/33/91/857403391.db2.gz PVVWXYAEQXLWNC-VQIMIIECSA-N 1 1 399.491 3.742 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000486317509 857650130 /nfs/dbraw/zinc/65/01/30/857650130.db2.gz HDYOCKOUVKTRJD-IEBWSBKVSA-N 1 1 381.476 3.934 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000521172914 857702919 /nfs/dbraw/zinc/70/29/19/857702919.db2.gz KPIXPARHBHKNOJ-CYBMUJFWSA-N 1 1 376.844 3.890 20 5 GHBDMO Cc1c(CC(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000438927332 857754275 /nfs/dbraw/zinc/75/42/75/857754275.db2.gz FOCOMSUNXPOVFK-MRXNPFEDSA-N 1 1 397.475 3.805 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000113933855 857796396 /nfs/dbraw/zinc/79/63/96/857796396.db2.gz GWHIJJUXOVUVSP-IAGOWNOFSA-N 1 1 399.495 3.731 20 5 GHBDMO CSc1cccc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000486491768 857805657 /nfs/dbraw/zinc/80/56/57/857805657.db2.gz ZJROOKDEXBPDFJ-OKILXGFUSA-N 1 1 379.526 3.803 20 5 GHBDMO C[C@@H]1CN(Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000594489925 858189647 /nfs/dbraw/zinc/18/96/47/858189647.db2.gz HUPRYBACTCZTAK-JKSBSHDWSA-N 1 1 395.503 3.981 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000595017742 858352206 /nfs/dbraw/zinc/35/22/06/858352206.db2.gz OAZJXGTZWRBGEI-IFXJQAMLSA-N 1 1 399.447 3.572 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)C1 ZINC000059410551 858354354 /nfs/dbraw/zinc/35/43/54/858354354.db2.gz SDJSIJUMPSNNTL-IYBDPMFKSA-N 1 1 396.491 3.585 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000439121709 858428025 /nfs/dbraw/zinc/42/80/25/858428025.db2.gz ZXKYDSPCSSVXNW-AWEZNQCLSA-N 1 1 387.867 3.733 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595544164 858561729 /nfs/dbraw/zinc/56/17/29/858561729.db2.gz MUNGBVNLFPGDCA-QFBILLFUSA-N 1 1 382.464 3.538 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1F ZINC000067556394 858610482 /nfs/dbraw/zinc/61/04/82/858610482.db2.gz RTVGCEMECMQIIL-UHFFFAOYSA-N 1 1 383.383 3.858 20 5 GHBDMO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCc2ccccc21 ZINC000595631693 858623420 /nfs/dbraw/zinc/62/34/20/858623420.db2.gz JYVCPHJBOUEUJY-UHFFFAOYSA-N 1 1 378.432 3.981 20 5 GHBDMO C[N@@H+](CCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CCCCC1 ZINC000059734066 858624420 /nfs/dbraw/zinc/62/44/20/858624420.db2.gz LSBAEYLLUJXNNJ-UHFFFAOYSA-N 1 1 388.512 3.897 20 5 GHBDMO CN(C(=O)C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000593126381 858720604 /nfs/dbraw/zinc/72/06/04/858720604.db2.gz UOODIAJTFZEARF-ACRUOGEOSA-N 1 1 395.459 3.552 20 5 GHBDMO CN(C(=O)C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000593126381 858720612 /nfs/dbraw/zinc/72/06/12/858720612.db2.gz UOODIAJTFZEARF-ACRUOGEOSA-N 1 1 395.459 3.552 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)c2c(c1)COCO2 ZINC000595876392 858723936 /nfs/dbraw/zinc/72/39/36/858723936.db2.gz BNWOLSCLFWZJPF-UHFFFAOYSA-N 1 1 394.427 3.902 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000543173463 858728565 /nfs/dbraw/zinc/72/85/65/858728565.db2.gz VLHJVAVKQAMOMW-LIRRHRJNSA-N 1 1 399.447 3.634 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000543173463 858728574 /nfs/dbraw/zinc/72/85/74/858728574.db2.gz VLHJVAVKQAMOMW-LIRRHRJNSA-N 1 1 399.447 3.634 20 5 GHBDMO O=c1[nH]ccc(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000596076281 858773755 /nfs/dbraw/zinc/77/37/55/858773755.db2.gz OQSBNLJXBFEMHH-KRWDZBQOSA-N 1 1 396.472 3.968 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593150723 858807225 /nfs/dbraw/zinc/80/72/25/858807225.db2.gz QTZNWDLHSTYKJT-HXUWFJFHSA-N 1 1 399.466 3.693 20 5 GHBDMO CCCn1cc[nH+]c1CCCN(C)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596211238 858815790 /nfs/dbraw/zinc/81/57/90/858815790.db2.gz UQHWQGIXRCZWOO-UHFFFAOYSA-N 1 1 394.859 3.710 20 5 GHBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2N1 ZINC000522285080 858953934 /nfs/dbraw/zinc/95/39/34/858953934.db2.gz TTXNVGLTPJPPMT-KRWDZBQOSA-N 1 1 380.448 3.556 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466294615 859016812 /nfs/dbraw/zinc/01/68/12/859016812.db2.gz BCOSELRTQGFWBG-LJQANCHMSA-N 1 1 388.512 3.779 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC001170354051 881396732 /nfs/dbraw/zinc/39/67/32/881396732.db2.gz HOMCSXGDCZYCOM-LPHOPBHVSA-N 1 1 385.464 3.781 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611196434 859638648 /nfs/dbraw/zinc/63/86/48/859638648.db2.gz TZRRQBLDXODTJN-INIZCTEOSA-N 1 1 392.459 3.813 20 5 GHBDMO CC[N@@H+](C[C@H]1CCOC1)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000611205196 859650089 /nfs/dbraw/zinc/65/00/89/859650089.db2.gz NBKJVDMSYSJURN-DYESRHJHSA-N 1 1 397.475 3.941 20 5 GHBDMO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611262746 859671830 /nfs/dbraw/zinc/67/18/30/859671830.db2.gz RRBHNJGYQJAGIY-OAHLLOKOSA-N 1 1 378.432 3.951 20 5 GHBDMO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611262746 859671833 /nfs/dbraw/zinc/67/18/33/859671833.db2.gz RRBHNJGYQJAGIY-OAHLLOKOSA-N 1 1 378.432 3.951 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(OCC3CCCCC3)CC1)OCCO2 ZINC000611266605 859673905 /nfs/dbraw/zinc/67/39/05/859673905.db2.gz QPBYETYSQOWKHO-UHFFFAOYSA-N 1 1 390.480 3.927 20 5 GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000611321630 859695080 /nfs/dbraw/zinc/69/50/80/859695080.db2.gz BVXUAGJUZGFNPF-HNNXBMFYSA-N 1 1 387.436 3.661 20 5 GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000611321630 859695090 /nfs/dbraw/zinc/69/50/90/859695090.db2.gz BVXUAGJUZGFNPF-HNNXBMFYSA-N 1 1 387.436 3.661 20 5 GHBDMO COc1cc(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)c([N+](=O)[O-])cc1O ZINC000611443094 859763205 /nfs/dbraw/zinc/76/32/05/859763205.db2.gz MPOUFLHAWTWAHA-UHFFFAOYSA-N 1 1 388.420 3.554 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC001170347594 881471122 /nfs/dbraw/zinc/47/11/22/881471122.db2.gz SCNVFSWZEGKHLG-CRAIPNDOSA-N 1 1 386.448 3.696 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000597860038 859876773 /nfs/dbraw/zinc/87/67/73/859876773.db2.gz KNLKCVICLWPMHN-OAHLLOKOSA-N 1 1 382.464 3.507 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCc3cc(OC)c(OC)cc3C2)c([N+](=O)[O-])c1 ZINC001170348221 881472463 /nfs/dbraw/zinc/47/24/63/881472463.db2.gz VTSWJLOPLIOUAB-AWEZNQCLSA-N 1 1 386.448 3.610 20 5 GHBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000474344762 859886316 /nfs/dbraw/zinc/88/63/16/859886316.db2.gz CWAMVCJNXOWEAS-UHFFFAOYSA-N 1 1 396.399 3.696 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000484231506 859888860 /nfs/dbraw/zinc/88/88/60/859888860.db2.gz KNLGXGSPZOSOLG-HDICACEKSA-N 1 1 395.503 3.932 20 5 GHBDMO Cc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123506798 859985944 /nfs/dbraw/zinc/98/59/44/859985944.db2.gz KCYLKXLCTFEBQG-UHFFFAOYSA-N 1 1 382.464 3.940 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170351581 881490352 /nfs/dbraw/zinc/49/03/52/881490352.db2.gz GJDDFQCPGSRPDE-GOEBONIOSA-N 1 1 378.469 3.731 20 5 GHBDMO Cn1cc(C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])n1 ZINC000602479507 860048473 /nfs/dbraw/zinc/04/84/73/860048473.db2.gz MSXMGYSORCRAMQ-UHFFFAOYSA-N 1 1 399.278 3.816 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000727392698 860070663 /nfs/dbraw/zinc/07/06/63/860070663.db2.gz RIEZKSSPCXBJKB-XFXZXTDPSA-N 1 1 393.487 3.979 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000092534527 860072514 /nfs/dbraw/zinc/07/25/14/860072514.db2.gz RQTGUXDTDKFUHD-UHFFFAOYSA-N 1 1 381.476 3.570 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000092534527 860072520 /nfs/dbraw/zinc/07/25/20/860072520.db2.gz RQTGUXDTDKFUHD-UHFFFAOYSA-N 1 1 381.476 3.570 20 5 GHBDMO COc1ccc(C[C@H](C)N2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001170351722 881497804 /nfs/dbraw/zinc/49/78/04/881497804.db2.gz HETDSXLYDGQXPF-WDSOQIARSA-N 1 1 375.513 3.873 20 5 GHBDMO COc1ccc(C[C@H](C)N2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001170351722 881497913 /nfs/dbraw/zinc/49/79/13/881497913.db2.gz HETDSXLYDGQXPF-WDSOQIARSA-N 1 1 375.513 3.873 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000542657548 860142417 /nfs/dbraw/zinc/14/24/17/860142417.db2.gz IZBKWVZQMHOEHH-GJZGRUSLSA-N 1 1 379.476 3.854 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218523 860164607 /nfs/dbraw/zinc/16/46/07/860164607.db2.gz HBWONKONNJMHSG-HUUCEWRRSA-N 1 1 377.510 3.599 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Br ZINC000602675822 860210996 /nfs/dbraw/zinc/21/09/96/860210996.db2.gz OQVKUWRYOXAUDW-CYZMBNFOSA-N 1 1 375.288 3.544 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Br ZINC000602675822 860211003 /nfs/dbraw/zinc/21/10/03/860211003.db2.gz OQVKUWRYOXAUDW-CYZMBNFOSA-N 1 1 375.288 3.544 20 5 GHBDMO Cc1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000727766975 860212926 /nfs/dbraw/zinc/21/29/26/860212926.db2.gz OIVQINQAGAFNGX-AWEZNQCLSA-N 1 1 382.464 3.970 20 5 GHBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000598395600 860277889 /nfs/dbraw/zinc/27/78/89/860277889.db2.gz FDGCPPKYKYOHOV-LJQANCHMSA-N 1 1 379.460 3.627 20 5 GHBDMO C[C@H](O)CC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000093481533 860284052 /nfs/dbraw/zinc/28/40/52/860284052.db2.gz RBVORMJIYHWLCT-NSHDSACASA-N 1 1 383.242 3.820 20 5 GHBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000124235981 860284810 /nfs/dbraw/zinc/28/48/10/860284810.db2.gz HPOSCSJVHLJKRQ-INIZCTEOSA-N 1 1 385.464 3.983 20 5 GHBDMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(F)ccc1OC ZINC000922621163 860329130 /nfs/dbraw/zinc/32/91/30/860329130.db2.gz JTXBNCORPNFTNP-KRWDZBQOSA-N 1 1 376.384 3.850 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552249649 860409861 /nfs/dbraw/zinc/40/98/61/860409861.db2.gz GWEUDGXCTHBBFY-FXAWDEMLSA-N 1 1 399.539 3.908 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1C ZINC000896157679 860424621 /nfs/dbraw/zinc/42/46/21/860424621.db2.gz RAAPWVZSUZOZQF-LJQANCHMSA-N 1 1 381.476 3.506 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301377248 860463802 /nfs/dbraw/zinc/46/38/02/860463802.db2.gz WNTDMMLHXBYZMI-UHFFFAOYSA-N 1 1 396.834 3.759 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)cc1 ZINC000155335150 860483247 /nfs/dbraw/zinc/48/32/47/860483247.db2.gz NTVCQFIXSLNACD-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCCC[NH+]1CCCCC1 ZINC000603110688 860496078 /nfs/dbraw/zinc/49/60/78/860496078.db2.gz OZLVTTIWNDWSMF-INIZCTEOSA-N 1 1 387.484 3.904 20 5 GHBDMO Cc1sc(C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025541544 860534559 /nfs/dbraw/zinc/53/45/59/860534559.db2.gz LEOMYMLELORALB-GOSISDBHSA-N 1 1 387.505 3.777 20 5 GHBDMO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1c(F)cccc1F ZINC000155858756 860622923 /nfs/dbraw/zinc/62/29/23/860622923.db2.gz MQHMSKZWOCQYSY-UHFFFAOYSA-N 1 1 393.390 3.732 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1c(F)cccc1F ZINC000155858756 860622926 /nfs/dbraw/zinc/62/29/26/860622926.db2.gz MQHMSKZWOCQYSY-UHFFFAOYSA-N 1 1 393.390 3.732 20 5 GHBDMO COc1ccc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1F ZINC000598996872 860730971 /nfs/dbraw/zinc/73/09/71/860730971.db2.gz QCZWDQHWXPPHAV-UHFFFAOYSA-N 1 1 376.384 3.634 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]ccc1-n1cc(C)cn1 ZINC000185537533 860743884 /nfs/dbraw/zinc/74/38/84/860743884.db2.gz BPIYMITWTUQWGO-MRXNPFEDSA-N 1 1 379.420 3.691 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000054227977 860796313 /nfs/dbraw/zinc/79/63/13/860796313.db2.gz MDKUBBPKYDDEFT-PBHICJAKSA-N 1 1 378.432 3.641 20 5 GHBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000603733466 861126292 /nfs/dbraw/zinc/12/62/92/861126292.db2.gz OEJXZSSZGRVNAS-UHFFFAOYSA-N 1 1 379.416 3.689 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000159937981 863193551 /nfs/dbraw/zinc/19/35/51/863193551.db2.gz GOVSCHAFMDTVDH-ZDUSSCGKSA-N 1 1 398.301 3.599 20 5 GHBDMO CN(C)c1[nH+]cc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])n1C ZINC000733895490 863322445 /nfs/dbraw/zinc/32/24/45/863322445.db2.gz GHBVWCQKIIBYCB-UHFFFAOYSA-N 1 1 377.754 3.679 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281743735 863343561 /nfs/dbraw/zinc/34/35/61/863343561.db2.gz BLHGZGNZJKDBAR-LBPRGKRZSA-N 1 1 395.385 3.925 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444183058 863619951 /nfs/dbraw/zinc/61/99/51/863619951.db2.gz MAWWHXGENQBDFK-SUMWQHHRSA-N 1 1 386.477 3.921 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H]2CCC[C@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444183058 863619957 /nfs/dbraw/zinc/61/99/57/863619957.db2.gz MAWWHXGENQBDFK-SUMWQHHRSA-N 1 1 386.477 3.921 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444242512 863742810 /nfs/dbraw/zinc/74/28/10/863742810.db2.gz PAVZIHMTGOVVMV-OAHLLOKOSA-N 1 1 395.478 3.671 20 5 GHBDMO C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](c2ccccc2)C1 ZINC000444283056 863816091 /nfs/dbraw/zinc/81/60/91/863816091.db2.gz CYZPZKKNGRQRQG-REWPJTCUSA-N 1 1 397.478 3.509 20 5 GHBDMO C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](c2ccccc2)C1 ZINC000444283056 863816104 /nfs/dbraw/zinc/81/61/04/863816104.db2.gz CYZPZKKNGRQRQG-REWPJTCUSA-N 1 1 397.478 3.509 20 5 GHBDMO C[N@H+]1CCCC12CCN(C(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)CC2 ZINC000444299145 863835747 /nfs/dbraw/zinc/83/57/47/863835747.db2.gz SGGAWPJLPSSSQQ-UHFFFAOYSA-N 1 1 393.462 3.521 20 5 GHBDMO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000475123584 864258338 /nfs/dbraw/zinc/25/83/38/864258338.db2.gz XYWOFEBJUDDDMR-ROUUACIJSA-N 1 1 386.473 3.893 20 5 GHBDMO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000475123584 864258349 /nfs/dbraw/zinc/25/83/49/864258349.db2.gz XYWOFEBJUDDDMR-ROUUACIJSA-N 1 1 386.473 3.893 20 5 GHBDMO C[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000184412654 864432250 /nfs/dbraw/zinc/43/22/50/864432250.db2.gz CQCJFRQLILUDFO-HOTGVXAUSA-N 1 1 387.455 3.864 20 5 GHBDMO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475304163 864740907 /nfs/dbraw/zinc/74/09/07/864740907.db2.gz LGOYDWYZGIDWKZ-FQEVSTJZSA-N 1 1 381.476 3.605 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](Cc4ccc(F)cc4)C3)n2)c1 ZINC000121308550 865430891 /nfs/dbraw/zinc/43/08/91/865430891.db2.gz FGUFFUMQXFXNFR-OAHLLOKOSA-N 1 1 382.395 3.849 20 5 GHBDMO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(C(C)(C)C)no1 ZINC000185154055 865559133 /nfs/dbraw/zinc/55/91/33/865559133.db2.gz KRYVRSUUABVTBJ-GFCCVEGCSA-N 1 1 385.424 3.824 20 5 GHBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)c1ccc(C)cc1 ZINC000174281867 865660724 /nfs/dbraw/zinc/66/07/24/865660724.db2.gz MOOFNJFQAHXMDY-SFHVURJKSA-N 1 1 382.420 3.509 20 5 GHBDMO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)c1ccc(C)cc1 ZINC000174281867 865660734 /nfs/dbraw/zinc/66/07/34/865660734.db2.gz MOOFNJFQAHXMDY-SFHVURJKSA-N 1 1 382.420 3.509 20 5 GHBDMO C[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185244080 865826497 /nfs/dbraw/zinc/82/64/97/865826497.db2.gz KNEWWFCHVFHPHI-IKGGRYGDSA-N 1 1 391.487 3.950 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1F ZINC000067523872 866206210 /nfs/dbraw/zinc/20/62/10/866206210.db2.gz SOZDGRLBNFRPPH-UHFFFAOYSA-N 1 1 388.786 3.811 20 5 GHBDMO COc1ccc([C@H]2[C@H](COC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000741123008 866247821 /nfs/dbraw/zinc/24/78/21/866247821.db2.gz DLNYUELDSSNNER-JXFKEZNVSA-N 1 1 384.432 3.762 20 5 GHBDMO COc1ccc([C@H]2[C@@H](COC(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000741122508 866248352 /nfs/dbraw/zinc/24/83/52/866248352.db2.gz CJKJXAHXLOTFLU-KUHUBIRLSA-N 1 1 388.395 3.592 20 5 GHBDMO COc1ccc([C@H]2[C@H](COC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000741123456 866249481 /nfs/dbraw/zinc/24/94/81/866249481.db2.gz GQFURPKGNULQCN-PXNSSMCTSA-N 1 1 384.432 3.762 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000475582292 866428462 /nfs/dbraw/zinc/42/84/62/866428462.db2.gz MNNOQRWDPXHSKY-CYBMUJFWSA-N 1 1 392.839 3.993 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000475582292 866428463 /nfs/dbraw/zinc/42/84/63/866428463.db2.gz MNNOQRWDPXHSKY-CYBMUJFWSA-N 1 1 392.839 3.993 20 5 GHBDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475584800 866434576 /nfs/dbraw/zinc/43/45/76/866434576.db2.gz PNKQGEFISOWPHK-UHFFFAOYSA-N 1 1 392.839 3.822 20 5 GHBDMO Cc1cccc(C2(O)CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1C ZINC000741803645 866826824 /nfs/dbraw/zinc/82/68/24/866826824.db2.gz CUCPZUYMBJWWJD-UHFFFAOYSA-N 1 1 398.459 3.562 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)OCc1ccccc1 ZINC000793300085 882077743 /nfs/dbraw/zinc/07/77/43/882077743.db2.gz WDBAZMPIBVUFHK-INIZCTEOSA-N 1 1 389.477 3.795 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)OCc1ccccc1 ZINC000793300085 882077761 /nfs/dbraw/zinc/07/77/61/882077761.db2.gz WDBAZMPIBVUFHK-INIZCTEOSA-N 1 1 389.477 3.795 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000457093393 867649883 /nfs/dbraw/zinc/64/98/83/867649883.db2.gz ODDUCXMBOQNPJI-SFHVURJKSA-N 1 1 397.475 3.729 20 5 GHBDMO CC(=O)c1cc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000553582999 867728942 /nfs/dbraw/zinc/72/89/42/867728942.db2.gz GKZRPIUVEJKQBI-SFHVURJKSA-N 1 1 385.489 3.827 20 5 GHBDMO CC(=O)c1cc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000553582999 867728951 /nfs/dbraw/zinc/72/89/51/867728951.db2.gz GKZRPIUVEJKQBI-SFHVURJKSA-N 1 1 385.489 3.827 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H]1c1cccs1 ZINC000534981643 867870380 /nfs/dbraw/zinc/87/03/80/867870380.db2.gz KKKVICKVNFOSFE-ORAYPTAESA-N 1 1 398.488 3.951 20 5 GHBDMO Cn1cc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535077693 868116851 /nfs/dbraw/zinc/11/68/51/868116851.db2.gz XZJGHPIPDBWWCP-INIZCTEOSA-N 1 1 398.385 3.539 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535077693 868116858 /nfs/dbraw/zinc/11/68/58/868116858.db2.gz XZJGHPIPDBWWCP-INIZCTEOSA-N 1 1 398.385 3.539 20 5 GHBDMO Cc1c(CNC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000479728400 868403238 /nfs/dbraw/zinc/40/32/38/868403238.db2.gz HAXQAEGTZSLPPV-PXNSSMCTSA-N 1 1 396.491 3.613 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000553950891 868521207 /nfs/dbraw/zinc/52/12/07/868521207.db2.gz JWAQKEKVEDYIGM-IRXDYDNUSA-N 1 1 399.491 3.718 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825582 868793036 /nfs/dbraw/zinc/79/30/36/868793036.db2.gz PMHGWOBAUUCJNZ-HUUCEWRRSA-N 1 1 394.431 3.943 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825582 868793040 /nfs/dbraw/zinc/79/30/40/868793040.db2.gz PMHGWOBAUUCJNZ-HUUCEWRRSA-N 1 1 394.431 3.943 20 5 GHBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000744407131 868815960 /nfs/dbraw/zinc/81/59/60/868815960.db2.gz CQYMWSMQCLXYPY-UHFFFAOYSA-N 1 1 399.495 3.581 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC(F)F)cc1[N+](=O)[O-] ZINC000442873264 868984190 /nfs/dbraw/zinc/98/41/90/868984190.db2.gz KDIGTMXQDFCYPJ-GFCCVEGCSA-N 1 1 381.379 3.883 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000793604199 882305971 /nfs/dbraw/zinc/30/59/71/882305971.db2.gz ITUMFKSLTIAVRG-LHFJYWTJSA-N 1 1 387.480 3.941 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000793606387 882314355 /nfs/dbraw/zinc/31/43/55/882314355.db2.gz UFFMLJWEFCUPCR-HXUWFJFHSA-N 1 1 375.469 3.736 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462623673 869782781 /nfs/dbraw/zinc/78/27/81/869782781.db2.gz VRQZJCUFZUQQEC-IRLDBZIGSA-N 1 1 395.503 3.896 20 5 GHBDMO Cc1nn(CN2CC[N@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000793721291 882376798 /nfs/dbraw/zinc/37/67/98/882376798.db2.gz LXXHVTXUROUKAR-NRFANRHFSA-N 1 1 399.539 3.722 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000540016217 870204830 /nfs/dbraw/zinc/20/48/30/870204830.db2.gz QWHLQYRWWGYYCJ-UHFFFAOYSA-N 1 1 377.460 3.708 20 5 GHBDMO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000441074330 870275750 /nfs/dbraw/zinc/27/57/50/870275750.db2.gz UIUILWPVLTWOEM-HRAATJIYSA-N 1 1 376.460 3.907 20 5 GHBDMO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000441074330 870275761 /nfs/dbraw/zinc/27/57/61/870275761.db2.gz UIUILWPVLTWOEM-HRAATJIYSA-N 1 1 376.460 3.907 20 5 GHBDMO COc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1Br ZINC000446840135 870559088 /nfs/dbraw/zinc/55/90/88/870559088.db2.gz DFOZRBWYHPJESP-UHFFFAOYSA-N 1 1 391.225 3.532 20 5 GHBDMO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001192672221 870590580 /nfs/dbraw/zinc/59/05/80/870590580.db2.gz FORSTKPFFWYRMD-CVEARBPZSA-N 1 1 393.484 3.693 20 5 GHBDMO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001192672221 870590592 /nfs/dbraw/zinc/59/05/92/870590592.db2.gz FORSTKPFFWYRMD-CVEARBPZSA-N 1 1 393.484 3.693 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000538797982 870628991 /nfs/dbraw/zinc/62/89/91/870628991.db2.gz HSCYVJZMZZIYNX-IERDGZPVSA-N 1 1 392.459 3.650 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463027942 870688336 /nfs/dbraw/zinc/68/83/36/870688336.db2.gz ICTQLBACRRMMJL-JOCHJYFZSA-N 1 1 384.476 3.811 20 5 GHBDMO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168980418 871053927 /nfs/dbraw/zinc/05/39/27/871053927.db2.gz DMHBETOSVAWGOG-BMGDNIKJSA-N 1 1 386.533 3.525 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169011658 871096674 /nfs/dbraw/zinc/09/66/74/871096674.db2.gz LZBWLLUSAKFQOB-QKLQHJQFSA-N 1 1 381.517 3.545 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](c2cccs2)C1 ZINC001169047895 871130968 /nfs/dbraw/zinc/13/09/68/871130968.db2.gz SKKYZXGDDRZFHH-OAGGEKHMSA-N 1 1 395.525 3.787 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](c2cccs2)C1 ZINC001169047895 871130969 /nfs/dbraw/zinc/13/09/69/871130969.db2.gz SKKYZXGDDRZFHH-OAGGEKHMSA-N 1 1 395.525 3.787 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC([N@@H+](C2CCC2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169057827 871144189 /nfs/dbraw/zinc/14/41/89/871144189.db2.gz XTRPMVOJQNODPG-QAPCUYQASA-N 1 1 381.517 3.686 20 5 GHBDMO CC(C)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169057974 871144535 /nfs/dbraw/zinc/14/45/35/871144535.db2.gz ZVFRSXRZDWXAKA-RCCFBDPRSA-N 1 1 383.533 3.789 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001193660853 871220334 /nfs/dbraw/zinc/22/03/34/871220334.db2.gz FFWVQLOHLPUVHI-FQEVSTJZSA-N 1 1 399.491 3.628 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001193660853 871220347 /nfs/dbraw/zinc/22/03/47/871220347.db2.gz FFWVQLOHLPUVHI-FQEVSTJZSA-N 1 1 399.491 3.628 20 5 GHBDMO COc1ccc(-c2ccc(CNC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)o2)c([N+](=O)[O-])c1 ZINC000525695411 871254225 /nfs/dbraw/zinc/25/42/25/871254225.db2.gz ZZPKHPIKWINYGJ-MQVJKMGUSA-N 1 1 385.464 3.968 20 5 GHBDMO COc1ccc(-c2ccc(CNC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)o2)c([N+](=O)[O-])c1 ZINC000525695411 871254329 /nfs/dbraw/zinc/25/43/29/871254329.db2.gz ZZPKHPIKWINYGJ-MQVJKMGUSA-N 1 1 385.464 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(CNc3[nH+]cccc3N3CCOCC3)o2)cc1 ZINC000463247204 871261494 /nfs/dbraw/zinc/26/14/94/871261494.db2.gz IIZDGEIMOXLSMR-UHFFFAOYSA-N 1 1 380.404 3.699 20 5 GHBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001194021144 871437593 /nfs/dbraw/zinc/43/75/93/871437593.db2.gz YGQDUWNLRUQKNF-GOSISDBHSA-N 1 1 394.859 3.671 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Br)OCCO2 ZINC000069787666 871533956 /nfs/dbraw/zinc/53/39/56/871533956.db2.gz QNNDIRNCQFXRSD-NSHDSACASA-N 1 1 393.237 3.979 20 5 GHBDMO COc1cc(CN[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c([N+](=O)[O-])cc1F ZINC001169567952 871642957 /nfs/dbraw/zinc/64/29/57/871642957.db2.gz OJOFXTVCXYNJKW-LJQANCHMSA-N 1 1 389.471 3.989 20 5 GHBDMO COc1cc(CN[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c([N+](=O)[O-])cc1F ZINC001169567952 871642969 /nfs/dbraw/zinc/64/29/69/871642969.db2.gz OJOFXTVCXYNJKW-LJQANCHMSA-N 1 1 389.471 3.989 20 5 GHBDMO CC[N@H+](C[C@@H](C)OC)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000463424422 871704844 /nfs/dbraw/zinc/70/48/44/871704844.db2.gz OZKNNDSNFVFJPT-UZLBHIALSA-N 1 1 385.464 3.940 20 5 GHBDMO CC[N@@H+](C[C@@H](C)OC)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000463424422 871704853 /nfs/dbraw/zinc/70/48/53/871704853.db2.gz OZKNNDSNFVFJPT-UZLBHIALSA-N 1 1 385.464 3.940 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000463435686 871736802 /nfs/dbraw/zinc/73/68/02/871736802.db2.gz LJAVYUHGPPFDDB-OAQYLSRUSA-N 1 1 388.439 3.560 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000463435686 871736824 /nfs/dbraw/zinc/73/68/24/871736824.db2.gz LJAVYUHGPPFDDB-OAQYLSRUSA-N 1 1 388.439 3.560 20 5 GHBDMO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(F)ccc1F ZINC000539359893 871821857 /nfs/dbraw/zinc/82/18/57/871821857.db2.gz KCIMQPJBOLVCSW-QZTJIDSGSA-N 1 1 375.375 3.719 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000182173300 871986593 /nfs/dbraw/zinc/98/65/93/871986593.db2.gz WXILWDSHYAHEGY-HNNXBMFYSA-N 1 1 388.445 3.691 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000182173300 871986610 /nfs/dbraw/zinc/98/66/10/871986610.db2.gz WXILWDSHYAHEGY-HNNXBMFYSA-N 1 1 388.445 3.691 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000766974785 872132087 /nfs/dbraw/zinc/13/20/87/872132087.db2.gz QBVPUBONCAWJHI-UHFFFAOYSA-N 1 1 383.920 3.819 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552246256 872303918 /nfs/dbraw/zinc/30/39/18/872303918.db2.gz NXDCKOGFUXEWDM-IBGZPJMESA-N 1 1 380.423 3.878 20 5 GHBDMO COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccccc3[N+](=O)[O-])c2C)cc1 ZINC000463737735 872450596 /nfs/dbraw/zinc/45/05/96/872450596.db2.gz ZAUHEFCFSHRIED-UHFFFAOYSA-N 1 1 380.448 3.755 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001195704078 872595161 /nfs/dbraw/zinc/59/51/61/872595161.db2.gz FXJISCKFWNOXTH-STZQEDGTSA-N 1 1 398.459 3.977 20 5 GHBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000448035783 872725483 /nfs/dbraw/zinc/72/54/83/872725483.db2.gz SIHZTXQAXLJZBT-NHCUHLMSSA-N 1 1 394.475 3.603 20 5 GHBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000448034651 872725802 /nfs/dbraw/zinc/72/58/02/872725802.db2.gz KFOIWLCOEFRSLG-HXUWFJFHSA-N 1 1 382.464 3.827 20 5 GHBDMO CC(C)(C)OC(=O)N1CC([N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C2CCC2)C1 ZINC001195929484 872761923 /nfs/dbraw/zinc/76/19/23/872761923.db2.gz VDHFMYSILGVPCN-UHFFFAOYSA-N 1 1 379.432 3.708 20 5 GHBDMO CC(C)(C)OC(=O)N1CC([N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C2CCC2)C1 ZINC001195929484 872761927 /nfs/dbraw/zinc/76/19/27/872761927.db2.gz VDHFMYSILGVPCN-UHFFFAOYSA-N 1 1 379.432 3.708 20 5 GHBDMO CC[NH+](CC)CCCC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000182777752 872767866 /nfs/dbraw/zinc/76/78/66/872767866.db2.gz UXJBYCYHLWBYAA-UHFFFAOYSA-N 1 1 391.512 3.795 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000460355513 872929767 /nfs/dbraw/zinc/92/97/67/872929767.db2.gz XNMRYWZFMPAQFG-QZTJIDSGSA-N 1 1 383.492 3.720 20 5 GHBDMO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000541247958 873235577 /nfs/dbraw/zinc/23/55/77/873235577.db2.gz YLNIPGXLTKWNDS-UHFFFAOYSA-N 1 1 393.447 3.584 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000541318848 873361613 /nfs/dbraw/zinc/36/16/13/873361613.db2.gz IQTHOZMWXVUWQN-XOBRGWDASA-N 1 1 383.448 3.933 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000541318848 873361623 /nfs/dbraw/zinc/36/16/23/873361623.db2.gz IQTHOZMWXVUWQN-XOBRGWDASA-N 1 1 383.448 3.933 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000768555205 873382833 /nfs/dbraw/zinc/38/28/33/873382833.db2.gz OHBZNHBJQDKJJO-SWLSCSKDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000768555205 873382843 /nfs/dbraw/zinc/38/28/43/873382843.db2.gz OHBZNHBJQDKJJO-SWLSCSKDSA-N 1 1 383.876 3.983 20 5 GHBDMO Cn1c2cc(F)ccc2[nH+]c1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000464346907 873668297 /nfs/dbraw/zinc/66/82/97/873668297.db2.gz SDHIGPOCIIEKSM-UHFFFAOYSA-N 1 1 383.408 3.778 20 5 GHBDMO Cc1ccc(O[C@@H]2CC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)nc1 ZINC000858038502 882766971 /nfs/dbraw/zinc/76/69/71/882766971.db2.gz UBJXRMMZRQTBAI-RHSMWYFYSA-N 1 1 395.419 3.563 20 5 GHBDMO Cc1ccc(O[C@@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)nc1 ZINC000858038502 882766980 /nfs/dbraw/zinc/76/69/80/882766980.db2.gz UBJXRMMZRQTBAI-RHSMWYFYSA-N 1 1 395.419 3.563 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2CC2(O)CCCCC2)c1 ZINC001197693248 873985483 /nfs/dbraw/zinc/98/54/83/873985483.db2.gz ULGKKXGRLMUONP-SFHVURJKSA-N 1 1 390.480 3.821 20 5 GHBDMO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000769343914 873985731 /nfs/dbraw/zinc/98/57/31/873985731.db2.gz VNJLHHBDMAYTKW-SFHVURJKSA-N 1 1 383.448 3.832 20 5 GHBDMO CO[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000769445571 874074933 /nfs/dbraw/zinc/07/49/33/874074933.db2.gz GSYUEESQCIJMQU-HXUWFJFHSA-N 1 1 378.432 3.668 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000475721349 882813492 /nfs/dbraw/zinc/81/34/92/882813492.db2.gz CVVNUCAJUXIEOG-OAHLLOKOSA-N 1 1 390.461 3.854 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775836715 874332885 /nfs/dbraw/zinc/33/28/85/874332885.db2.gz IJTKHRPCBICBRF-DSLXNQLJSA-N 1 1 390.480 3.603 20 5 GHBDMO CC(C)(C)Oc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000541932937 874582972 /nfs/dbraw/zinc/58/29/72/874582972.db2.gz HAWYQQMENZBTFR-LJQANCHMSA-N 1 1 399.491 3.951 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)s1 ZINC000449435218 874855434 /nfs/dbraw/zinc/85/54/34/874855434.db2.gz VIJYWAKEEYCPHM-CLCXKQKWSA-N 1 1 388.489 3.685 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(-c2cccnc2)n1 ZINC000449503491 874966971 /nfs/dbraw/zinc/96/69/71/874966971.db2.gz UFADSISIHOXKOO-SFHVURJKSA-N 1 1 377.448 3.770 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)C1 ZINC000465189843 875276778 /nfs/dbraw/zinc/27/67/78/875276778.db2.gz YKTJXQKPWSACNJ-CYBMUJFWSA-N 1 1 375.450 3.629 20 5 GHBDMO CCc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000746512702 875441611 /nfs/dbraw/zinc/44/16/11/875441611.db2.gz WFQUBLIUIRVTHG-AZUAARDMSA-N 1 1 379.460 3.914 20 5 GHBDMO O=C1CC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@H]2N1C1CC1 ZINC000549915255 875905663 /nfs/dbraw/zinc/90/56/63/875905663.db2.gz CPHPUNLOLYHXSQ-YVEFUNNKSA-N 1 1 397.397 3.589 20 5 GHBDMO O=C1CC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@H]2N1C1CC1 ZINC000549915255 875905669 /nfs/dbraw/zinc/90/56/69/875905669.db2.gz CPHPUNLOLYHXSQ-YVEFUNNKSA-N 1 1 397.397 3.589 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccns1 ZINC000858319236 883022296 /nfs/dbraw/zinc/02/22/96/883022296.db2.gz YMWMFDUAYCRDIV-MRVPVSSYSA-N 1 1 389.218 3.507 20 5 GHBDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1SC ZINC000492252853 876536582 /nfs/dbraw/zinc/53/65/82/876536582.db2.gz MJKBWXDEJBSHIH-ZDUSSCGKSA-N 1 1 389.477 3.784 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1SC ZINC000492252853 876536589 /nfs/dbraw/zinc/53/65/89/876536589.db2.gz MJKBWXDEJBSHIH-ZDUSSCGKSA-N 1 1 389.477 3.784 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[N@H+](C)C[C@@H]3C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000609965552 877225731 /nfs/dbraw/zinc/22/57/31/877225731.db2.gz JWZDDKOPKARJOX-OAQYLSRUSA-N 1 1 396.491 3.932 20 5 GHBDMO Cc1cc(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)cc([N+](=O)[O-])c1 ZINC000609976050 877238946 /nfs/dbraw/zinc/23/89/46/877238946.db2.gz SXOVQOPSUQAVQE-HOTGVXAUSA-N 1 1 383.448 3.765 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](CO)[C@@H]2CC)cc1OC ZINC000451250266 877662345 /nfs/dbraw/zinc/66/23/45/877662345.db2.gz DDWRMGWYBONIJO-UXLLHSPISA-N 1 1 380.485 3.621 20 5 GHBDMO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000237609665 877705734 /nfs/dbraw/zinc/70/57/34/877705734.db2.gz QLSUAGQBJYPEKO-CALCHBBNSA-N 1 1 387.480 3.834 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)c2)C[C@H](C)O1 ZINC000152373320 877915442 /nfs/dbraw/zinc/91/54/42/877915442.db2.gz LOFDGGIDQXCVNH-CALCHBBNSA-N 1 1 397.475 3.775 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)c2)C[C@H](C)O1 ZINC000152373320 877915446 /nfs/dbraw/zinc/91/54/46/877915446.db2.gz LOFDGGIDQXCVNH-CALCHBBNSA-N 1 1 397.475 3.775 20 5 GHBDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cc(F)ccc1F ZINC000179787223 878015598 /nfs/dbraw/zinc/01/55/98/878015598.db2.gz XJLWBKMXQWPHAV-ZBEGNZNMSA-N 1 1 393.390 3.950 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852596963 878451253 /nfs/dbraw/zinc/45/12/53/878451253.db2.gz PUICKMZIYMVNEU-LBTNJELSSA-N 1 1 395.887 3.856 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852596963 878451260 /nfs/dbraw/zinc/45/12/60/878451260.db2.gz PUICKMZIYMVNEU-LBTNJELSSA-N 1 1 395.887 3.856 20 5 GHBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000852598280 878452974 /nfs/dbraw/zinc/45/29/74/878452974.db2.gz PSYMZIMFOFICSI-UKRRQHHQSA-N 1 1 396.488 3.797 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451912588 878687820 /nfs/dbraw/zinc/68/78/20/878687820.db2.gz PKQRHUVXVOZCSI-KRWDZBQOSA-N 1 1 385.247 3.908 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000538142770 878888453 /nfs/dbraw/zinc/88/84/53/878888453.db2.gz CVLOTWHDGZHASF-LBPRGKRZSA-N 1 1 379.363 3.794 20 5 GHBDMO COc1ccc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538177715 878983554 /nfs/dbraw/zinc/98/35/54/878983554.db2.gz BYDJDBJWVGWJRQ-HNNXBMFYSA-N 1 1 397.353 3.825 20 5 GHBDMO C[C@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000452183267 879097687 /nfs/dbraw/zinc/09/76/87/879097687.db2.gz NSPNLCRBHCGRDB-ZACQAIPSSA-N 1 1 397.475 3.695 20 5 GHBDMO Cc1cc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000853797176 879291120 /nfs/dbraw/zinc/29/11/20/879291120.db2.gz KCRAXPLJGKCLIV-MRXNPFEDSA-N 1 1 375.856 3.735 20 5 GHBDMO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000617008579 879338042 /nfs/dbraw/zinc/33/80/42/879338042.db2.gz JCTVNCZEZXGHPU-AWEZNQCLSA-N 1 1 399.441 3.562 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000617008579 879338060 /nfs/dbraw/zinc/33/80/60/879338060.db2.gz JCTVNCZEZXGHPU-AWEZNQCLSA-N 1 1 399.441 3.562 20 5 GHBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000746864336 879355955 /nfs/dbraw/zinc/35/59/55/879355955.db2.gz GJGOVZZHPJUESA-QFIPXVFZSA-N 1 1 397.450 3.862 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)ccc2c1 ZINC000493324520 879379310 /nfs/dbraw/zinc/37/93/10/879379310.db2.gz WWGLLBVICWGISW-OAHLLOKOSA-N 1 1 382.489 3.951 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461420505 879773842 /nfs/dbraw/zinc/77/38/42/879773842.db2.gz BAGKLZLNXHOEBP-IAGOWNOFSA-N 1 1 399.878 3.842 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1F ZINC000790549823 879806370 /nfs/dbraw/zinc/80/63/70/879806370.db2.gz CKAUKFWBJXPRNQ-SCLBCKFNSA-N 1 1 391.468 3.917 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1F ZINC000854483877 879845043 /nfs/dbraw/zinc/84/50/43/879845043.db2.gz JYMKHJYBTCYEJG-ZFWWWQNUSA-N 1 1 389.402 3.574 20 5 GHBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461458313 879871195 /nfs/dbraw/zinc/87/11/95/879871195.db2.gz XVRMSFVZFZRQKX-SJORKVTESA-N 1 1 399.878 3.842 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000494039139 879874704 /nfs/dbraw/zinc/87/47/04/879874704.db2.gz RNSKGLGIUYWJLA-YOEHRIQHSA-N 1 1 385.489 3.710 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494118561 879915074 /nfs/dbraw/zinc/91/50/74/879915074.db2.gz GCLHILIZDAONKK-MOPGFXCFSA-N 1 1 389.402 3.827 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494118561 879915090 /nfs/dbraw/zinc/91/50/90/879915090.db2.gz GCLHILIZDAONKK-MOPGFXCFSA-N 1 1 389.402 3.827 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC000790834440 880034023 /nfs/dbraw/zinc/03/40/23/880034023.db2.gz MLFGMDWHWCTUBM-BEFAXECRSA-N 1 1 385.439 3.683 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000791979812 880819233 /nfs/dbraw/zinc/81/92/33/880819233.db2.gz KAJWNMKQUYQHDO-HKUYNNGSSA-N 1 1 395.459 3.507 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000856358440 881169045 /nfs/dbraw/zinc/16/90/45/881169045.db2.gz RCHKPRXPJMMYFQ-CQSZACIVSA-N 1 1 394.258 3.906 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000856358440 881169055 /nfs/dbraw/zinc/16/90/55/881169055.db2.gz RCHKPRXPJMMYFQ-CQSZACIVSA-N 1 1 394.258 3.906 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000152987856 881286691 /nfs/dbraw/zinc/28/66/91/881286691.db2.gz WXWRJCRICPTKKR-UONOGXRCSA-N 1 1 377.510 3.698 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[N@H+]1C1CC1 ZINC000152984680 881286967 /nfs/dbraw/zinc/28/69/67/881286967.db2.gz HATXLMADIORIGG-UONOGXRCSA-N 1 1 389.521 3.985 20 5 GHBDMO COc1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C2CCCCC2)cc1OC ZINC000537683758 883149430 /nfs/dbraw/zinc/14/94/30/883149430.db2.gz LSVCEFDFCKRQDG-UHFFFAOYSA-N 1 1 388.468 3.643 20 5 GHBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000804649503 883163691 /nfs/dbraw/zinc/16/36/91/883163691.db2.gz BLWUZXFZBZFYQB-IBGZPJMESA-N 1 1 383.448 3.500 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609443736 883197324 /nfs/dbraw/zinc/19/73/24/883197324.db2.gz HDEPBEWRFMKQLR-UHFFFAOYSA-N 1 1 375.425 3.535 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1)[NH+]1CCOCC1 ZINC000609518545 883292770 /nfs/dbraw/zinc/29/27/70/883292770.db2.gz FJKPKBWOPNZMOD-AWEZNQCLSA-N 1 1 395.415 3.987 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804812175 883374580 /nfs/dbraw/zinc/37/45/80/883374580.db2.gz KFMVONIHJDAPIA-FQEVSTJZSA-N 1 1 382.420 3.605 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000609799788 883660116 /nfs/dbraw/zinc/66/01/16/883660116.db2.gz JJXLCFORGLPJBB-QGZVFWFLSA-N 1 1 384.354 3.620 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859382892 883786557 /nfs/dbraw/zinc/78/65/57/883786557.db2.gz WLBSBZQKJKDVMP-LSDHHAIUSA-N 1 1 379.888 3.975 20 5 GHBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC1CC(O)C1 ZINC000191162455 884532662 /nfs/dbraw/zinc/53/26/62/884532662.db2.gz KWPGAXCXSSTOKK-UHFFFAOYSA-N 1 1 392.459 3.650 20 5 GHBDMO COc1ccc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001130668725 884808889 /nfs/dbraw/zinc/80/88/89/884808889.db2.gz PNUUNDVEKJBBTN-BBWFWOEESA-N 1 1 397.475 3.727 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000153451394 885626658 /nfs/dbraw/zinc/62/66/58/885626658.db2.gz KUWQLLYOFYGQBV-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000153451394 885626667 /nfs/dbraw/zinc/62/66/67/885626667.db2.gz KUWQLLYOFYGQBV-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747468782 886156277 /nfs/dbraw/zinc/15/62/77/886156277.db2.gz WOUFCAVBEFCWBJ-APWZRJJASA-N 1 1 377.448 3.764 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000121873829 886229759 /nfs/dbraw/zinc/22/97/59/886229759.db2.gz IRZWZYIECNVNHC-CQSZACIVSA-N 1 1 379.420 3.649 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001131238788 886240081 /nfs/dbraw/zinc/24/00/81/886240081.db2.gz HGDYCIDPPGGFMV-JOCHJYFZSA-N 1 1 395.503 3.896 20 5 GHBDMO C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000556870345 886423538 /nfs/dbraw/zinc/42/35/38/886423538.db2.gz NAPHJSKDPAGYPI-UTKZUKDTSA-N 1 1 393.491 3.528 20 5 GHBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001127364190 886600742 /nfs/dbraw/zinc/60/07/42/886600742.db2.gz CQZCFWDNFUPXML-UHFFFAOYSA-N 1 1 385.811 3.709 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccccc1N(C)C ZINC000808785621 886774575 /nfs/dbraw/zinc/77/45/75/886774575.db2.gz NIDLDCAFHRYQQY-ZDUSSCGKSA-N 1 1 390.871 3.773 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccccc1N(C)C ZINC000808785621 886774583 /nfs/dbraw/zinc/77/45/83/886774583.db2.gz NIDLDCAFHRYQQY-ZDUSSCGKSA-N 1 1 390.871 3.773 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000809343161 887308452 /nfs/dbraw/zinc/30/84/52/887308452.db2.gz HOSYPAVMFTYPKL-UHFFFAOYSA-N 1 1 377.391 3.733 20 5 GHBDMO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174812217 887370562 /nfs/dbraw/zinc/37/05/62/887370562.db2.gz AEROFKCLHFINNO-UHFFFAOYSA-N 1 1 375.856 3.717 20 5 GHBDMO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174812217 887370574 /nfs/dbraw/zinc/37/05/74/887370574.db2.gz AEROFKCLHFINNO-UHFFFAOYSA-N 1 1 375.856 3.717 20 5 GHBDMO C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000272527015 887631434 /nfs/dbraw/zinc/63/14/34/887631434.db2.gz MFWUVKDIUMDTDE-LAUBAEHRSA-N 1 1 393.491 3.528 20 5 GHBDMO COc1ccc(C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@@H](C)C2CC2)cc1 ZINC000794623361 887687822 /nfs/dbraw/zinc/68/78/22/887687822.db2.gz LYDGVYCYRNLESV-AWEZNQCLSA-N 1 1 397.431 3.770 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272545631 887715505 /nfs/dbraw/zinc/71/55/05/887715505.db2.gz QAHFPFOOZAFOCV-GHTZIAJQSA-N 1 1 391.475 3.676 20 5 GHBDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809770307 887758409 /nfs/dbraw/zinc/75/84/09/887758409.db2.gz VYNCZRSRAKKLHD-FOIQADDNSA-N 1 1 390.867 3.790 20 5 GHBDMO COc1ccc(C)cc1CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272573448 887819955 /nfs/dbraw/zinc/81/99/55/887819955.db2.gz WKWFKGPEXFWOLN-HXUWFJFHSA-N 1 1 380.448 3.567 20 5 GHBDMO COc1cc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000810034585 888114489 /nfs/dbraw/zinc/11/44/89/888114489.db2.gz VXAPXVJWURHTRT-KRWDZBQOSA-N 1 1 391.468 3.627 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000810034585 888114496 /nfs/dbraw/zinc/11/44/96/888114496.db2.gz VXAPXVJWURHTRT-KRWDZBQOSA-N 1 1 391.468 3.627 20 5 GHBDMO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475925106 888509753 /nfs/dbraw/zinc/50/97/53/888509753.db2.gz HOXPNPWMCBBOJT-UHFFFAOYSA-N 1 1 383.448 3.606 20 5 GHBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000810848451 888940477 /nfs/dbraw/zinc/94/04/77/888940477.db2.gz VBNKHPQOIAKXAI-MJGOQNOKSA-N 1 1 395.459 3.991 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488134850 889164332 /nfs/dbraw/zinc/16/43/32/889164332.db2.gz OHDPYWXNHINKEN-XOBRGWDASA-N 1 1 397.500 3.959 20 5 GHBDMO C[C@@]([NH3+])(C(=O)Nc1ccccc1CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867952639 889235548 /nfs/dbraw/zinc/23/55/48/889235548.db2.gz YTSAEVVHMAPXMX-KRWDZBQOSA-N 1 1 381.354 3.902 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000532972185 889476463 /nfs/dbraw/zinc/47/64/63/889476463.db2.gz PMPCOXLTRGDWOJ-CWFSZBLJSA-N 1 1 389.496 3.757 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])sc2C1 ZINC000868964074 889688215 /nfs/dbraw/zinc/68/82/15/889688215.db2.gz UMOOJXIXXLMIQD-UHFFFAOYSA-N 1 1 392.456 3.528 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125629730 890059500 /nfs/dbraw/zinc/05/95/00/890059500.db2.gz KABXCXUCWMEERV-HNNXBMFYSA-N 1 1 375.469 3.736 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000533246331 890130790 /nfs/dbraw/zinc/13/07/90/890130790.db2.gz XFWKDTXFEFCJTK-GOSISDBHSA-N 1 1 394.431 3.861 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000795131122 890416891 /nfs/dbraw/zinc/41/68/91/890416891.db2.gz MJGHPZZUDKKBOE-CJNGLKHVSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000795131122 890416899 /nfs/dbraw/zinc/41/68/99/890416899.db2.gz MJGHPZZUDKKBOE-CJNGLKHVSA-N 1 1 379.432 3.565 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000533442575 890597744 /nfs/dbraw/zinc/59/77/44/890597744.db2.gz SXZMWLPQSACCIA-UHFFFAOYSA-N 1 1 399.422 3.739 20 5 GHBDMO CCc1cc(NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001184855685 913492357 /nfs/dbraw/zinc/49/23/57/913492357.db2.gz FJZXGFFIYBROTA-JKSUJKDBSA-N 1 1 383.496 3.711 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850142 891041455 /nfs/dbraw/zinc/04/14/55/891041455.db2.gz LWGOCSBSUMKNHO-IFXJQAMLSA-N 1 1 382.420 3.589 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825644092 891417085 /nfs/dbraw/zinc/41/70/85/891417085.db2.gz SUMIFMKRPSHJEB-ZDUSSCGKSA-N 1 1 393.896 3.952 20 5 GHBDMO COc1cccc(NC2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000110037343 891581800 /nfs/dbraw/zinc/58/18/00/891581800.db2.gz BYPQZSZULKUBDU-OAHLLOKOSA-N 1 1 398.463 3.507 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000497460525 891659372 /nfs/dbraw/zinc/65/93/72/891659372.db2.gz BKUXGNSTEKKQMC-UHFFFAOYSA-N 1 1 385.464 3.805 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000814175945 892331312 /nfs/dbraw/zinc/33/13/12/892331312.db2.gz KTNKAUIIYCVUEY-IGCXZHCHSA-N 1 1 387.480 3.939 20 5 GHBDMO C[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542608843 892598180 /nfs/dbraw/zinc/59/81/80/892598180.db2.gz LMGUKORDCPMVLO-ZNMIVQPWSA-N 1 1 379.476 3.710 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000814644853 893039595 /nfs/dbraw/zinc/03/95/95/893039595.db2.gz KQQGEBONITXBNO-UHFFFAOYSA-N 1 1 393.459 3.957 20 5 GHBDMO Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000533818611 893114266 /nfs/dbraw/zinc/11/42/66/893114266.db2.gz RKWFJLXJERAMDC-OAHLLOKOSA-N 1 1 379.420 3.640 20 5 GHBDMO Cc1ccccc1-c1cnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000533818611 893114279 /nfs/dbraw/zinc/11/42/79/893114279.db2.gz RKWFJLXJERAMDC-OAHLLOKOSA-N 1 1 379.420 3.640 20 5 GHBDMO Cc1cc(Br)c2c(c1)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000778189624 893180419 /nfs/dbraw/zinc/18/04/19/893180419.db2.gz IAYAHJDDSLCDPX-GOSISDBHSA-N 1 1 391.265 3.757 20 5 GHBDMO Cc1cc(Br)c2c(c1)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000778189624 893180423 /nfs/dbraw/zinc/18/04/23/893180423.db2.gz IAYAHJDDSLCDPX-GOSISDBHSA-N 1 1 391.265 3.757 20 5 GHBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000536667385 893487423 /nfs/dbraw/zinc/48/74/23/893487423.db2.gz BEVVDVDPZNDQDL-SFHVURJKSA-N 1 1 378.812 3.893 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778229819 893489675 /nfs/dbraw/zinc/48/96/75/893489675.db2.gz AYPKDQDSMFRDFU-UHFFFAOYSA-N 1 1 391.418 3.843 20 5 GHBDMO O=[N+]([O-])c1c(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc2ccccn21 ZINC000022195689 893706756 /nfs/dbraw/zinc/70/67/56/893706756.db2.gz AWARAIIGYIBMHP-UHFFFAOYSA-N 1 1 385.855 3.608 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000563510396 893847788 /nfs/dbraw/zinc/84/77/88/893847788.db2.gz ZKWJVWBQJFDTOS-RYUDHWBXSA-N 1 1 398.301 3.516 20 5 GHBDMO COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609280850 893875319 /nfs/dbraw/zinc/87/53/19/893875319.db2.gz QSLKNLZCUIIOJW-PXNSSMCTSA-N 1 1 386.448 3.570 20 5 GHBDMO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000536887353 894027391 /nfs/dbraw/zinc/02/73/91/894027391.db2.gz UNIYKHPKNGVHBJ-ZDUSSCGKSA-N 1 1 394.522 3.730 20 5 GHBDMO CC[C@@H](CSC)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000536887353 894027409 /nfs/dbraw/zinc/02/74/09/894027409.db2.gz UNIYKHPKNGVHBJ-ZDUSSCGKSA-N 1 1 394.522 3.730 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001185404001 913838114 /nfs/dbraw/zinc/83/81/14/913838114.db2.gz NDDHVADYNKKOQN-DLBZAZTESA-N 1 1 389.496 3.781 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2Cc3ccccc3OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000563769557 894168144 /nfs/dbraw/zinc/16/81/44/894168144.db2.gz DQIGULOHMHNRLW-UHFFFAOYSA-N 1 1 383.448 3.905 20 5 GHBDMO COc1cc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c([N+](=O)[O-])cc1F ZINC000564552691 895074819 /nfs/dbraw/zinc/07/48/19/895074819.db2.gz SNLGJPOQIUIDHI-AWEZNQCLSA-N 1 1 389.427 3.575 20 5 GHBDMO COc1cc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c([N+](=O)[O-])cc1F ZINC000564552691 895074836 /nfs/dbraw/zinc/07/48/36/895074836.db2.gz SNLGJPOQIUIDHI-AWEZNQCLSA-N 1 1 389.427 3.575 20 5 GHBDMO COc1ccc2c(c1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](c1ccccc1)C2 ZINC000121991321 895124226 /nfs/dbraw/zinc/12/42/26/895124226.db2.gz DZABDLZOTVHNKG-FQEVSTJZSA-N 1 1 378.432 3.600 20 5 GHBDMO COc1ccc2c(c1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](c1ccccc1)C2 ZINC000121991321 895124246 /nfs/dbraw/zinc/12/42/46/895124246.db2.gz DZABDLZOTVHNKG-FQEVSTJZSA-N 1 1 378.432 3.600 20 5 GHBDMO C[N@@H+](CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC001126774629 895230192 /nfs/dbraw/zinc/23/01/92/895230192.db2.gz NKXDTNNBGPSJEK-UHFFFAOYSA-N 1 1 387.455 3.893 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000564881186 895296646 /nfs/dbraw/zinc/29/66/46/895296646.db2.gz KLMUYILELKXBQH-UHFFFAOYSA-N 1 1 383.286 3.996 20 5 GHBDMO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000774905752 913999699 /nfs/dbraw/zinc/99/96/99/913999699.db2.gz RLOYQDPUNVNORE-HNNXBMFYSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000774905752 913999709 /nfs/dbraw/zinc/99/97/09/913999709.db2.gz RLOYQDPUNVNORE-HNNXBMFYSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1C ZINC000888827389 895785651 /nfs/dbraw/zinc/78/56/51/895785651.db2.gz SADZLUQVTIECJT-MRXNPFEDSA-N 1 1 383.448 3.857 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)cc1OC ZINC000566701996 896506159 /nfs/dbraw/zinc/50/61/59/896506159.db2.gz SARQTVDAFKYERV-PMPSAXMXSA-N 1 1 380.485 3.621 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](CO)C[C@@H]2C)cc1OC ZINC000566701996 896506168 /nfs/dbraw/zinc/50/61/68/896506168.db2.gz SARQTVDAFKYERV-PMPSAXMXSA-N 1 1 380.485 3.621 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000567033331 896815872 /nfs/dbraw/zinc/81/58/72/896815872.db2.gz VSWBDXJSGMQDAO-ROUUACIJSA-N 1 1 380.448 3.581 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1 ZINC000042109807 897157944 /nfs/dbraw/zinc/15/79/44/897157944.db2.gz IHYDGIQHJGSHLH-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2C2(O)CC2)cc1OC ZINC001170950340 897436860 /nfs/dbraw/zinc/43/68/60/897436860.db2.gz XUIOSXWZIDGISZ-FOIQADDNSA-N 1 1 392.496 3.908 20 5 GHBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000567848630 897446732 /nfs/dbraw/zinc/44/67/32/897446732.db2.gz VPVXCZLCDCWUHR-IBGZPJMESA-N 1 1 389.452 3.520 20 5 GHBDMO CC[C@@H](c1ccncc1)[N@H+](CC)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000131516775 897489952 /nfs/dbraw/zinc/48/99/52/897489952.db2.gz DMZUJUMZWIDCKE-SFHVURJKSA-N 1 1 395.463 3.681 20 5 GHBDMO CC[C@@H](c1ccncc1)[N@@H+](CC)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000131516775 897489958 /nfs/dbraw/zinc/48/99/58/897489958.db2.gz DMZUJUMZWIDCKE-SFHVURJKSA-N 1 1 395.463 3.681 20 5 GHBDMO COc1ccc(OCC[N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000102690210 898023509 /nfs/dbraw/zinc/02/35/09/898023509.db2.gz BKRSMTOSMOUNME-AWEZNQCLSA-N 1 1 398.419 3.725 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000102690210 898023521 /nfs/dbraw/zinc/02/35/21/898023521.db2.gz BKRSMTOSMOUNME-AWEZNQCLSA-N 1 1 398.419 3.725 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000569410975 898633424 /nfs/dbraw/zinc/63/34/24/898633424.db2.gz PREWQCCETBSTTI-CEXWTWQISA-N 1 1 398.459 3.617 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000331805021 899177750 /nfs/dbraw/zinc/17/77/50/899177750.db2.gz MWICSNNDAWGVIN-CABCVRRESA-N 1 1 378.448 3.852 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000823994775 899345539 /nfs/dbraw/zinc/34/55/39/899345539.db2.gz YDIJINKFVFUQBK-CRAIPNDOSA-N 1 1 397.479 3.694 20 5 GHBDMO CN1C(=O)CCc2cc(C[N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)ccc21 ZINC000824820374 899825804 /nfs/dbraw/zinc/82/58/04/899825804.db2.gz DMWKKDKUISEHGF-IBGZPJMESA-N 1 1 379.460 3.883 20 5 GHBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000303190289 914388830 /nfs/dbraw/zinc/38/88/30/914388830.db2.gz FKGIKXROHCDCTK-SJORKVTESA-N 1 1 391.512 3.899 20 5 GHBDMO CSCC[C@H](C)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571843306 899984788 /nfs/dbraw/zinc/98/47/88/899984788.db2.gz ZPDAFVIBKWIUCO-JTQLQIEISA-N 1 1 394.278 3.773 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)nc2c1 ZINC000134807354 900124181 /nfs/dbraw/zinc/12/41/81/900124181.db2.gz JOBOSUZEOBKGIW-QAPCUYQASA-N 1 1 385.395 3.963 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135224497 900205140 /nfs/dbraw/zinc/20/51/40/900205140.db2.gz ZGCWYJFEEIIYJR-UHFFFAOYSA-N 1 1 398.419 3.805 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843850972 900247685 /nfs/dbraw/zinc/24/76/85/900247685.db2.gz VVVDRTYVWKQWOT-RDJZCZTQSA-N 1 1 385.439 3.683 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000844373142 900740118 /nfs/dbraw/zinc/74/01/18/900740118.db2.gz DPZIPORGJGVTNR-SFHVURJKSA-N 1 1 391.811 3.640 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000844373142 900740130 /nfs/dbraw/zinc/74/01/30/900740130.db2.gz DPZIPORGJGVTNR-SFHVURJKSA-N 1 1 391.811 3.640 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000574510084 900913721 /nfs/dbraw/zinc/91/37/21/900913721.db2.gz AXGRMIAYSKWZSM-MRXNPFEDSA-N 1 1 385.464 3.803 20 5 GHBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000575367560 901216198 /nfs/dbraw/zinc/21/61/98/901216198.db2.gz BGHXQQSQJHKHRN-YJBOKZPZSA-N 1 1 387.505 3.618 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000577393906 902735395 /nfs/dbraw/zinc/73/53/95/902735395.db2.gz DOYHAWNTGBSDFM-UWJYYQICSA-N 1 1 397.475 3.677 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000577393906 902735398 /nfs/dbraw/zinc/73/53/98/902735398.db2.gz DOYHAWNTGBSDFM-UWJYYQICSA-N 1 1 397.475 3.677 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000779013160 902807426 /nfs/dbraw/zinc/80/74/26/902807426.db2.gz XGFSAHVNJHTSOP-DOTOQJQBSA-N 1 1 385.439 3.683 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1 ZINC000578330967 903739792 /nfs/dbraw/zinc/73/97/92/903739792.db2.gz WLRPNWJLQPAFEY-UHFFFAOYSA-N 1 1 383.448 3.883 20 5 GHBDMO COc1ccccc1-c1csc([C@H]2CCC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000773344334 905469381 /nfs/dbraw/zinc/46/93/81/905469381.db2.gz LZIZSXIAUAFUNI-AWEZNQCLSA-N 1 1 399.476 3.761 20 5 GHBDMO COc1ccccc1-c1csc([C@H]2CCC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000773344334 905469385 /nfs/dbraw/zinc/46/93/85/905469385.db2.gz LZIZSXIAUAFUNI-AWEZNQCLSA-N 1 1 399.476 3.761 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176724762 905920466 /nfs/dbraw/zinc/92/04/66/905920466.db2.gz JXWHPYBBADIETN-DZGCQCFKSA-N 1 1 389.402 3.656 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001172900670 905922057 /nfs/dbraw/zinc/92/20/57/905922057.db2.gz XTPNPUDRMZNOBM-DENIHFKCSA-N 1 1 379.504 3.954 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cnn(CC)c21 ZINC001172909029 905968726 /nfs/dbraw/zinc/96/87/26/905968726.db2.gz QPBUESMAMAPCHU-UXHICEINSA-N 1 1 398.507 3.695 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC001173176058 906251499 /nfs/dbraw/zinc/25/14/99/906251499.db2.gz GGGVLSQCBDAEDA-XHSDSOJGSA-N 1 1 381.492 3.631 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC001173176058 906251515 /nfs/dbraw/zinc/25/15/15/906251515.db2.gz GGGVLSQCBDAEDA-XHSDSOJGSA-N 1 1 381.492 3.631 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001173221770 906299572 /nfs/dbraw/zinc/29/95/72/906299572.db2.gz MBZKMFSYYAMRFG-FBEWHJACSA-N 1 1 388.508 3.964 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001173223000 906302100 /nfs/dbraw/zinc/30/21/00/906302100.db2.gz WDHBYIJSKLZPNY-SZVBFZGTSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001173223452 906302841 /nfs/dbraw/zinc/30/28/41/906302841.db2.gz FXUQKSAOYLGBMO-AUSIDOKSSA-N 1 1 395.503 3.897 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001173227334 906310813 /nfs/dbraw/zinc/31/08/13/906310813.db2.gz NQWXHLPEWHHREV-NQSCKRDGSA-N 1 1 388.508 3.681 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001173230753 906314965 /nfs/dbraw/zinc/31/49/65/906314965.db2.gz FKPORIRBLYHJPN-HOTGVXAUSA-N 1 1 377.485 3.857 20 5 GHBDMO CO[C@H](CN1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001173230764 906316645 /nfs/dbraw/zinc/31/66/45/906316645.db2.gz FNWIRAKAPMAGRT-PGRDOPGGSA-N 1 1 383.492 3.531 20 5 GHBDMO Cc1ccc([C@@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000183002083 907310006 /nfs/dbraw/zinc/31/00/06/907310006.db2.gz GDXFCUXSXOIZEE-DNVCBOLYSA-N 1 1 382.464 3.526 20 5 GHBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176971394 908339030 /nfs/dbraw/zinc/33/90/30/908339030.db2.gz QLQNHFQFVFNSTQ-UHFFFAOYSA-N 1 1 381.448 3.813 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)Cc1ncccc1C ZINC001177460983 908578714 /nfs/dbraw/zinc/57/87/14/908578714.db2.gz SJHAVRFNVUDNMC-UHFFFAOYSA-N 1 1 386.455 3.841 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193789057 908713964 /nfs/dbraw/zinc/71/39/64/908713964.db2.gz GXQKKQHIPLJZCM-WMZOPIPTSA-N 1 1 399.516 3.714 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001177713632 908726759 /nfs/dbraw/zinc/72/67/59/908726759.db2.gz WSHVISNQNYMBQP-NSHDSACASA-N 1 1 386.279 3.991 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000192596526 908802697 /nfs/dbraw/zinc/80/26/97/908802697.db2.gz WRUVAXGCBCIUOE-SJLPKXTDSA-N 1 1 397.475 3.729 20 5 GHBDMO COc1cc(CO[NH+]=C(N)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000779951624 909152252 /nfs/dbraw/zinc/15/22/52/909152252.db2.gz FHUUQASQPTXURA-UHFFFAOYSA-N 1 1 387.383 3.826 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)CCN1CCOC1=O ZINC001178784143 909226839 /nfs/dbraw/zinc/22/68/39/909226839.db2.gz KRUXORRRYAQHKE-UHFFFAOYSA-N 1 1 392.459 3.543 20 5 GHBDMO CC[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cccc([N+](=O)[O-])c1 ZINC000268701443 909979590 /nfs/dbraw/zinc/97/95/90/909979590.db2.gz ALERMSNTDKVVGC-AWEZNQCLSA-N 1 1 379.342 3.897 20 5 GHBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246368941 910264080 /nfs/dbraw/zinc/26/40/80/910264080.db2.gz YEPPMXRSPJEGPA-VQTJNVASSA-N 1 1 380.448 3.835 20 5 GHBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246368941 910264086 /nfs/dbraw/zinc/26/40/86/910264086.db2.gz YEPPMXRSPJEGPA-VQTJNVASSA-N 1 1 380.448 3.835 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1cc2nc3ccccc3nc2cc1N)Cc1ccccc1 ZINC001181140640 910568197 /nfs/dbraw/zinc/56/81/97/910568197.db2.gz ZDSYZDNIHUKLPE-UHFFFAOYSA-N 1 1 385.471 3.826 20 5 GHBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000773990753 911239290 /nfs/dbraw/zinc/23/92/90/911239290.db2.gz GBHGWPXTZYQNSV-LJQANCHMSA-N 1 1 379.460 3.705 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001186923441 914905348 /nfs/dbraw/zinc/90/53/48/914905348.db2.gz VVIPIJJGOBLMAM-WOJBJXKFSA-N 1 1 387.867 3.728 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)c2C)c([N+](=O)[O-])c1 ZINC000303935968 915322870 /nfs/dbraw/zinc/32/28/70/915322870.db2.gz ROIVVFCMVXXYPI-LJQANCHMSA-N 1 1 383.448 3.996 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)c2C)c([N+](=O)[O-])c1 ZINC000303935968 915322890 /nfs/dbraw/zinc/32/28/90/915322890.db2.gz ROIVVFCMVXXYPI-LJQANCHMSA-N 1 1 383.448 3.996 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC001190407438 917316501 /nfs/dbraw/zinc/31/65/01/917316501.db2.gz OAMVCFMXUIVQRW-HNNXBMFYSA-N 1 1 379.258 3.699 20 5 GHBDMO Cc1cccc(C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC(C)C)c1 ZINC001190561989 917410722 /nfs/dbraw/zinc/41/07/22/917410722.db2.gz VNASSZORLSIGBD-UHFFFAOYSA-N 1 1 381.476 3.951 20 5 GHBDMO O=C1[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001190855109 917604908 /nfs/dbraw/zinc/60/49/08/917604908.db2.gz NUMUDQCKXAMXTR-NQIIRXRSSA-N 1 1 379.460 3.655 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000117334160 919538652 /nfs/dbraw/zinc/53/86/52/919538652.db2.gz SXXMHMRTYMCBTQ-UHFFFAOYSA-N 1 1 385.395 3.697 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117587399 919545821 /nfs/dbraw/zinc/54/58/21/919545821.db2.gz HQCNNJCNTDDRGP-PXNSSMCTSA-N 1 1 399.878 3.934 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)nc1 ZINC000118866957 919597959 /nfs/dbraw/zinc/59/79/59/919597959.db2.gz GQIHUICJJRLDHB-AWEZNQCLSA-N 1 1 383.839 3.878 20 5 GHBDMO O=c1ccccn1C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000800314600 919892328 /nfs/dbraw/zinc/89/23/28/919892328.db2.gz IXKQPAXOGBYVIS-GOSISDBHSA-N 1 1 383.835 3.941 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@](F)(COC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000802148103 921860352 /nfs/dbraw/zinc/86/03/52/921860352.db2.gz YSWOTJVXNVEVFB-IIBYNOLFSA-N 1 1 386.423 3.856 20 5 GHBDMO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000369671443 923533727 /nfs/dbraw/zinc/53/37/27/923533727.db2.gz SZCNWKIUHQYVMC-CQSZACIVSA-N 1 1 382.424 3.548 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000011155041 924625193 /nfs/dbraw/zinc/62/51/93/924625193.db2.gz ZJSHYBDJNXMSMP-UHFFFAOYSA-N 1 1 397.475 3.887 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1F ZINC000827827237 926057927 /nfs/dbraw/zinc/05/79/27/926057927.db2.gz QWCHUPGPRULRGN-OAHLLOKOSA-N 1 1 389.402 3.576 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)c2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000411278329 926270991 /nfs/dbraw/zinc/27/09/91/926270991.db2.gz NZHHBEHIKXBSFN-GFCCVEGCSA-N 1 1 392.481 3.698 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000411619290 926568656 /nfs/dbraw/zinc/56/86/56/926568656.db2.gz OKRDAUSPWUVGAQ-AWEZNQCLSA-N 1 1 389.374 3.595 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000726601891 926757260 /nfs/dbraw/zinc/75/72/60/926757260.db2.gz SYYGCOXEHYXBRS-QAPCUYQASA-N 1 1 393.484 3.741 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000412072916 927065344 /nfs/dbraw/zinc/06/53/44/927065344.db2.gz QDCYAAUFTMZXQQ-AWEZNQCLSA-N 1 1 388.468 3.805 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000412072916 927065362 /nfs/dbraw/zinc/06/53/62/927065362.db2.gz QDCYAAUFTMZXQQ-AWEZNQCLSA-N 1 1 388.468 3.805 20 5 GHBDMO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000412159631 927160677 /nfs/dbraw/zinc/16/06/77/927160677.db2.gz PGKDURVLAHHFBZ-BULFRSBZSA-N 1 1 393.487 3.821 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467038484 928626165 /nfs/dbraw/zinc/62/61/65/928626165.db2.gz OJGIBPVWZYDALJ-UHFFFAOYSA-N 1 1 392.253 3.980 20 5 GHBDMO Cc1ccccc1[C@@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752788359 929022935 /nfs/dbraw/zinc/02/29/35/929022935.db2.gz IVRMNINNUZRKDU-QGZVFWFLSA-N 1 1 380.448 3.592 20 5 GHBDMO Cc1ccccc1[C@@H]1CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752788359 929022951 /nfs/dbraw/zinc/02/29/51/929022951.db2.gz IVRMNINNUZRKDU-QGZVFWFLSA-N 1 1 380.448 3.592 20 5 GHBDMO Cc1c(Br)c(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000544395981 929128060 /nfs/dbraw/zinc/12/80/60/929128060.db2.gz LSADZNGJFIVHEU-BBRMVZONSA-N 1 1 391.269 3.918 20 5 GHBDMO Cc1c(Br)c(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000544395981 929128064 /nfs/dbraw/zinc/12/80/64/929128064.db2.gz LSADZNGJFIVHEU-BBRMVZONSA-N 1 1 391.269 3.918 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+](CCc3ccccc3)[C@@H]3CCOC3)c2)cc1 ZINC000753100351 929205070 /nfs/dbraw/zinc/20/50/70/929205070.db2.gz NXVSGCTUJXXXDQ-JOCHJYFZSA-N 1 1 392.459 3.749 20 5 GHBDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCOc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000544515125 929249579 /nfs/dbraw/zinc/24/95/79/929249579.db2.gz UEJGTWYKALJLCS-CQSZACIVSA-N 1 1 382.420 3.937 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000467691385 929306339 /nfs/dbraw/zinc/30/63/39/929306339.db2.gz NQSOTDKBJJJMQE-XLIONFOSSA-N 1 1 396.491 3.566 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000544625928 929360583 /nfs/dbraw/zinc/36/05/83/929360583.db2.gz KHIIOXAEVVTBRU-HOCLYGCPSA-N 1 1 386.427 3.909 20 5 GHBDMO CC[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1Cc1ccccc1 ZINC000544768037 929559312 /nfs/dbraw/zinc/55/93/12/929559312.db2.gz UFWHHHZGCPHRCW-KRWDZBQOSA-N 1 1 392.459 3.813 20 5 GHBDMO CC[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757097605 929637451 /nfs/dbraw/zinc/63/74/51/929637451.db2.gz COWKZGFDHUVOAV-BBRMVZONSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757097605 929637456 /nfs/dbraw/zinc/63/74/56/929637456.db2.gz COWKZGFDHUVOAV-BBRMVZONSA-N 1 1 381.448 3.859 20 5 GHBDMO Cc1c(Cc2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cccc1[N+](=O)[O-] ZINC000546493411 930212208 /nfs/dbraw/zinc/21/22/08/930212208.db2.gz AQBUSPWAOLCQMU-GOSISDBHSA-N 1 1 393.447 3.652 20 5 GHBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000470135482 930398068 /nfs/dbraw/zinc/39/80/68/930398068.db2.gz ULTPKFCEHUKEQM-NQYLQCIDSA-N 1 1 399.422 3.612 20 5 GHBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000470135482 930398070 /nfs/dbraw/zinc/39/80/70/930398070.db2.gz ULTPKFCEHUKEQM-NQYLQCIDSA-N 1 1 399.422 3.612 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000470139546 930400208 /nfs/dbraw/zinc/40/02/08/930400208.db2.gz DIOOTGPTIPAUEY-YOEHRIQHSA-N 1 1 386.427 3.909 20 5 GHBDMO CC[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1Cc1ccccc1 ZINC000546759012 930408290 /nfs/dbraw/zinc/40/82/90/930408290.db2.gz XPHHSNOTZMNYEI-QGZVFWFLSA-N 1 1 377.448 3.639 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@H]1C ZINC000470156772 930415482 /nfs/dbraw/zinc/41/54/82/930415482.db2.gz RMAAWOKHZBMDDL-SUMWQHHRSA-N 1 1 388.395 3.910 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000782079104 931082818 /nfs/dbraw/zinc/08/28/18/931082818.db2.gz ZQNOVCAIYFSEKX-AWEZNQCLSA-N 1 1 385.645 3.834 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782467734 931232260 /nfs/dbraw/zinc/23/22/60/931232260.db2.gz QCERIFOSPBWJAM-ZDUSSCGKSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782467734 931232263 /nfs/dbraw/zinc/23/22/63/931232263.db2.gz QCERIFOSPBWJAM-ZDUSSCGKSA-N 1 1 383.876 3.985 20 5 GHBDMO O=C(CC[N@@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782475258 931235335 /nfs/dbraw/zinc/23/53/35/931235335.db2.gz YFBYKYUPMFLXHR-UHFFFAOYSA-N 1 1 387.386 3.991 20 5 GHBDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531421 931259486 /nfs/dbraw/zinc/25/94/86/931259486.db2.gz OGFBGKBIFVNDEX-GHMZBOCLSA-N 1 1 377.338 3.725 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000783846505 931688310 /nfs/dbraw/zinc/68/83/10/931688310.db2.gz RCAOHVQJTZLRRY-FUHWJXTLSA-N 1 1 397.500 3.830 20 5 GHBDMO Cc1cc(F)cc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c1[N+](=O)[O-] ZINC000784145646 931797431 /nfs/dbraw/zinc/79/74/31/931797431.db2.gz YWCRDTLCECAASJ-UHFFFAOYSA-N 1 1 378.429 3.518 20 5 GHBDMO Cc1cc(F)cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1[N+](=O)[O-] ZINC000784145646 931797438 /nfs/dbraw/zinc/79/74/38/931797438.db2.gz YWCRDTLCECAASJ-UHFFFAOYSA-N 1 1 378.429 3.518 20 5 GHBDMO COc1cc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000798401414 932631570 /nfs/dbraw/zinc/63/15/70/932631570.db2.gz QGDDZRCXNMKXMF-OAQYLSRUSA-N 1 1 385.464 3.936 20 5 GHBDMO Cc1c(CNC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000798466035 932658509 /nfs/dbraw/zinc/65/85/09/932658509.db2.gz HOKOFNSPQBYQIH-JOCHJYFZSA-N 1 1 396.491 3.615 20 5 GHBDMO COc1cc(CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000798497856 932672231 /nfs/dbraw/zinc/67/22/31/932672231.db2.gz GIJICKGHXFCQEW-JOCHJYFZSA-N 1 1 399.491 3.614 20 5 GHBDMO C[N@@H+](CCCOCc1ccccc1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000799163647 932894486 /nfs/dbraw/zinc/89/44/86/932894486.db2.gz SYCQXDRVIFIZEH-UHFFFAOYSA-N 1 1 380.448 3.955 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799227211 932925947 /nfs/dbraw/zinc/92/59/47/932925947.db2.gz YXDTYVMMTPBUKR-OAQYLSRUSA-N 1 1 382.464 3.937 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)cc1 ZINC001116100205 933334550 /nfs/dbraw/zinc/33/45/50/933334550.db2.gz HCBZLYKSKKQEID-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116349398 933501264 /nfs/dbraw/zinc/50/12/64/933501264.db2.gz KPPXCLHGKMTUCT-HUUCEWRRSA-N 1 1 393.447 3.678 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116349398 933501270 /nfs/dbraw/zinc/50/12/70/933501270.db2.gz KPPXCLHGKMTUCT-HUUCEWRRSA-N 1 1 393.447 3.678 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000561283343 934020972 /nfs/dbraw/zinc/02/09/72/934020972.db2.gz VIUXKTDREYSTNK-QFIPXVFZSA-N 1 1 379.460 3.641 20 5 GHBDMO CCC[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000777957618 934384272 /nfs/dbraw/zinc/38/42/72/934384272.db2.gz UQVDBSNXLYIWHT-VAMGGRTRSA-N 1 1 384.480 3.941 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777957064 934384989 /nfs/dbraw/zinc/38/49/89/934384989.db2.gz OZQSNTRSPJAHNS-QGZVFWFLSA-N 1 1 378.432 3.914 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000830341495 935933037 /nfs/dbraw/zinc/93/30/37/935933037.db2.gz IDLQHQILQZGZIF-OAHLLOKOSA-N 1 1 377.460 3.851 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001626012214 1014772143 /nfs/dbraw/zinc/77/21/43/1014772143.db2.gz YLHGEYZSKRUKIW-HOCLYGCPSA-N 1 1 397.903 3.786 20 5 GHBDMO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c(-n2cc(Cl)cn2)n1 ZINC000468590421 1015827645 /nfs/dbraw/zinc/82/76/45/1015827645.db2.gz WUMXYCKLXLZELD-UHFFFAOYSA-N 1 1 375.791 3.566 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001227122640 1032278991 /nfs/dbraw/zinc/27/89/91/1032278991.db2.gz SECIYHXWYPPJQM-DNVCBOLYSA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1nc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001227247264 1032341199 /nfs/dbraw/zinc/34/11/99/1032341199.db2.gz VMEYACWCHCZKFG-WFASDCNBSA-N 1 1 381.354 3.908 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cc2[nH]ccc2cn1 ZINC001154965845 1032362433 /nfs/dbraw/zinc/36/24/33/1032362433.db2.gz OWPHCQOFAYPRQZ-UHFFFAOYSA-N 1 1 397.438 3.820 20 5 GHBDMO COc1cc(C[NH2+][C@H](c2ccccn2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000932384926 1018250520 /nfs/dbraw/zinc/25/05/20/1018250520.db2.gz YVMMGJAVZDHWSS-IBGZPJMESA-N 1 1 393.390 3.883 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243122 1032858596 /nfs/dbraw/zinc/85/85/96/1032858596.db2.gz UMDSUGAAUNHFDW-AUUYWEPGSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243122 1032858617 /nfs/dbraw/zinc/85/86/17/1032858617.db2.gz UMDSUGAAUNHFDW-AUUYWEPGSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243124 1032859348 /nfs/dbraw/zinc/85/93/48/1032859348.db2.gz UMDSUGAAUNHFDW-KUHUBIRLSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243124 1032859365 /nfs/dbraw/zinc/85/93/65/1032859365.db2.gz UMDSUGAAUNHFDW-KUHUBIRLSA-N 1 1 394.431 3.533 20 5 GHBDMO CCc1cc2c(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cc(=O)oc2cc1O ZINC000795220416 1020991747 /nfs/dbraw/zinc/99/17/47/1020991747.db2.gz MEOSERCLDWOOMP-UHFFFAOYSA-N 1 1 382.416 3.994 20 5 GHBDMO CC(=O)Nc1ccc2c(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cc(=O)oc2c1 ZINC000795222345 1020992402 /nfs/dbraw/zinc/99/24/02/1020992402.db2.gz SFXRBJCLXJFTRZ-UHFFFAOYSA-N 1 1 395.415 3.685 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)c1 ZINC000246275800 1021052149 /nfs/dbraw/zinc/05/21/49/1021052149.db2.gz MXNYDKUIPOWCJE-VQTJNVASSA-N 1 1 398.484 3.926 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)c1 ZINC000246275822 1021052274 /nfs/dbraw/zinc/05/22/74/1021052274.db2.gz MXNYDKUIPOWCJE-WOJBJXKFSA-N 1 1 398.484 3.926 20 5 GHBDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000246418668 1021060858 /nfs/dbraw/zinc/06/08/58/1021060858.db2.gz HVKLDSLGMOPBNA-WMZOPIPTSA-N 1 1 396.491 3.611 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1Cl ZINC000836353556 1022911613 /nfs/dbraw/zinc/91/16/13/1022911613.db2.gz XMSFEELAYGHMIC-GFCCVEGCSA-N 1 1 393.896 3.795 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1Cl ZINC000836353556 1022911617 /nfs/dbraw/zinc/91/16/17/1022911617.db2.gz XMSFEELAYGHMIC-GFCCVEGCSA-N 1 1 393.896 3.795 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000755005402 1023014291 /nfs/dbraw/zinc/01/42/91/1023014291.db2.gz PYUNLACEHWYMGG-MRXNPFEDSA-N 1 1 393.484 3.682 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000755031061 1023032458 /nfs/dbraw/zinc/03/24/58/1023032458.db2.gz SEDPZZSLRKMKBS-WCQYABFASA-N 1 1 399.289 3.694 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755834412 1023396332 /nfs/dbraw/zinc/39/63/32/1023396332.db2.gz LLKHSYUSWYEBSV-RDJZCZTQSA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539620 1024628640 /nfs/dbraw/zinc/62/86/40/1024628640.db2.gz SUITXIBKEXMLBT-ZBFHGGJFSA-N 1 1 398.419 3.710 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539620 1024628651 /nfs/dbraw/zinc/62/86/51/1024628651.db2.gz SUITXIBKEXMLBT-ZBFHGGJFSA-N 1 1 398.419 3.710 20 5 GHBDMO CCN1C[C@H](C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc21 ZINC001205108900 1033257503 /nfs/dbraw/zinc/25/75/03/1033257503.db2.gz VKDITRZJYGIECL-INIZCTEOSA-N 1 1 375.856 3.968 20 5 GHBDMO CCN1C[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc21 ZINC001205108900 1033257520 /nfs/dbraw/zinc/25/75/20/1033257520.db2.gz VKDITRZJYGIECL-INIZCTEOSA-N 1 1 375.856 3.968 20 5 GHBDMO C[C@H]1CN(c2ccccc2C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000838982347 1025500219 /nfs/dbraw/zinc/50/02/19/1025500219.db2.gz XYXJKRTZUZXRKC-AWEZNQCLSA-N 1 1 375.856 3.763 20 5 GHBDMO CCc1cc(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162258509 1025693102 /nfs/dbraw/zinc/69/31/02/1025693102.db2.gz LGGAICFXJQSYEX-JKSUJKDBSA-N 1 1 383.496 3.568 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)CC2)s1 ZINC001162567349 1025799160 /nfs/dbraw/zinc/79/91/60/1025799160.db2.gz BZLQFPBCMBMYMB-UHFFFAOYSA-N 1 1 390.509 3.723 20 5 GHBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)c1cccc(Br)c1 ZINC000839644897 1026158603 /nfs/dbraw/zinc/15/86/03/1026158603.db2.gz YHXCYERPZXYKNB-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000839669037 1026186860 /nfs/dbraw/zinc/18/68/60/1026186860.db2.gz BPBJQXLQEUFSRG-AWEZNQCLSA-N 1 1 393.440 3.837 20 5 GHBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001163942388 1026369248 /nfs/dbraw/zinc/36/92/48/1026369248.db2.gz WCGJBNHVDOUSBJ-GOSISDBHSA-N 1 1 386.496 3.696 20 5 GHBDMO COc1cc(N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)ncc1[N+](=O)[O-] ZINC001165099018 1026606903 /nfs/dbraw/zinc/60/69/03/1026606903.db2.gz WSHGTJIEEFPVEY-UHFFFAOYSA-N 1 1 384.480 3.618 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001141775927 1027213521 /nfs/dbraw/zinc/21/35/21/1027213521.db2.gz XHUQPKKEJCBCFE-APWZRJJASA-N 1 1 397.475 3.775 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3c4ccccc4OC[C@H]3CO)o2)cc1 ZINC001203996100 1027794736 /nfs/dbraw/zinc/79/47/36/1027794736.db2.gz YWKYNMZYSAWRGO-QVKFZJNVSA-N 1 1 380.400 3.687 20 5 GHBDMO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211196876 1027834806 /nfs/dbraw/zinc/83/48/06/1027834806.db2.gz HRYKRQPLWOLDFP-UHFFFAOYSA-N 1 1 386.383 3.643 20 5 GHBDMO CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001142068705 1028021566 /nfs/dbraw/zinc/02/15/66/1028021566.db2.gz IZJQRIKAEIZPOB-APWZRJJASA-N 1 1 399.466 3.960 20 5 GHBDMO Cc1nc(Nc2c(Cl)ccc([N+](=O)[O-])c2Cl)cc(N2CCOCC2)[nH+]1 ZINC001215581108 1029291534 /nfs/dbraw/zinc/29/15/34/1029291534.db2.gz FRHFPYMUXRFNMG-UHFFFAOYSA-N 1 1 384.223 3.580 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001142775925 1029434325 /nfs/dbraw/zinc/43/43/25/1029434325.db2.gz WUGDMZZUEAZOMK-SCRDCRAPSA-N 1 1 383.851 3.865 20 5 GHBDMO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001461549632 1069604653 /nfs/dbraw/zinc/60/46/53/1069604653.db2.gz LYBBODFCRFKVTF-AWEZNQCLSA-N 1 1 380.404 3.675 20 5 GHBDMO COc1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCC[N@H+](C(C)C)C2)cc1SC ZINC000842833311 1029620851 /nfs/dbraw/zinc/62/08/51/1029620851.db2.gz KQNCVVVSYZFOEZ-CYBMUJFWSA-N 1 1 382.482 3.603 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001143093470 1029839827 /nfs/dbraw/zinc/83/98/27/1029839827.db2.gz VGCLRQXXNHRZRH-INIZCTEOSA-N 1 1 396.491 3.918 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001216796384 1029940348 /nfs/dbraw/zinc/94/03/48/1029940348.db2.gz BZXDWVLIUCGJFP-GOSISDBHSA-N 1 1 398.463 3.780 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cnn2ccccc12 ZINC001149251129 1030105726 /nfs/dbraw/zinc/10/57/26/1030105726.db2.gz SYHOCSIHDLRYCA-UHFFFAOYSA-N 1 1 397.438 3.591 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001217714776 1030624199 /nfs/dbraw/zinc/62/41/99/1030624199.db2.gz MSYXWZNFJJSFHO-CQSZACIVSA-N 1 1 378.310 3.906 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4CC[C@]45CC[NH2+]C5)ccc3c21 ZINC001218115719 1030780105 /nfs/dbraw/zinc/78/01/05/1030780105.db2.gz GSWFMKQZIMUNHI-PGRDOPGGSA-N 1 1 377.396 3.919 20 5 GHBDMO CCOc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC001219317523 1031354145 /nfs/dbraw/zinc/35/41/45/1031354145.db2.gz DMKGIACQMSMBQG-CABCVRRESA-N 1 1 390.484 3.768 20 5 GHBDMO Nc1ccc(NC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001219452321 1031424766 /nfs/dbraw/zinc/42/47/66/1031424766.db2.gz JNZQQKFAAVMBKK-SFHVURJKSA-N 1 1 397.479 3.743 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001225593823 1031495490 /nfs/dbraw/zinc/49/54/90/1031495490.db2.gz AGLDBKPQNOHABS-CABCVRRESA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001225593823 1031495499 /nfs/dbraw/zinc/49/54/99/1031495499.db2.gz AGLDBKPQNOHABS-CABCVRRESA-N 1 1 386.408 3.811 20 5 GHBDMO O=C(c1ccc2oc3ccccc3c(=O)c2c1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001153417827 1031580939 /nfs/dbraw/zinc/58/09/39/1031580939.db2.gz LOBFOEFDKIMEFE-UHFFFAOYSA-N 1 1 388.467 3.504 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153425642 1031584975 /nfs/dbraw/zinc/58/49/75/1031584975.db2.gz UBKUVZZYMBQJRT-INIZCTEOSA-N 1 1 378.472 3.941 20 5 GHBDMO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)C1 ZINC001219980903 1031728450 /nfs/dbraw/zinc/72/84/50/1031728450.db2.gz QOFGDSBGNMKEEV-UUOWRZLLSA-N 1 1 389.543 3.711 20 5 GHBDMO C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)C1 ZINC001219980903 1031728470 /nfs/dbraw/zinc/72/84/70/1031728470.db2.gz QOFGDSBGNMKEEV-UUOWRZLLSA-N 1 1 389.543 3.711 20 5 GHBDMO CCCN(C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C)[C@H]1CC[N@@H+](C)C1 ZINC001220233252 1031849605 /nfs/dbraw/zinc/84/96/05/1031849605.db2.gz KOYPJESFAXIKOJ-LBPRGKRZSA-N 1 1 388.390 3.870 20 5 GHBDMO Cc1ccc(N2CCC(Oc3ncc([N+](=O)[O-])cc3Br)CC2)[nH+]c1 ZINC001226344815 1031923616 /nfs/dbraw/zinc/92/36/16/1031923616.db2.gz SVHAHIWUGCHBPB-UHFFFAOYSA-N 1 1 393.241 3.504 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(O[C@@H]3CC[N@@H+](Cc4ccccc4Cl)C3)c2c1 ZINC001226441728 1031961554 /nfs/dbraw/zinc/96/15/54/1031961554.db2.gz UGZQJYASGKFANB-OAHLLOKOSA-N 1 1 384.823 3.845 20 5 GHBDMO O=[N+]([O-])c1cc2cccnc2c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC001229344189 1033427691 /nfs/dbraw/zinc/42/76/91/1033427691.db2.gz RYQSVSTYLDSTSI-FQEVSTJZSA-N 1 1 393.443 3.813 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229365158 1033439779 /nfs/dbraw/zinc/43/97/79/1033439779.db2.gz SNVXSLRPVBVWLH-AUUYWEPGSA-N 1 1 394.431 3.533 20 5 GHBDMO CCN(c1nc(-c2ccc(C)c([N+](=O)[O-])c2)nc2sccc21)C1C[NH+](C)C1 ZINC001157461176 1033603827 /nfs/dbraw/zinc/60/38/27/1033603827.db2.gz DKXJVLBNBLFSAC-UHFFFAOYSA-N 1 1 383.477 3.715 20 5 GHBDMO CN(CC[N@@H+](C)Cc1ccccc1)c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001157556829 1033658015 /nfs/dbraw/zinc/65/80/15/1033658015.db2.gz PLNVJKOTKRWPKV-UHFFFAOYSA-N 1 1 395.438 3.759 20 5 GHBDMO C[C@H]1COCC[C@@H]1Oc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229808288 1033731824 /nfs/dbraw/zinc/73/18/24/1033731824.db2.gz PBYZPCOTZRXICT-BTYIYWSLSA-N 1 1 393.487 3.692 20 5 GHBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001229898658 1033781807 /nfs/dbraw/zinc/78/18/07/1033781807.db2.gz CDDAJPPWCIGOPN-VQIMIIECSA-N 1 1 398.459 3.979 20 5 GHBDMO Cc1ccc(N2CCC[C@H](Oc3ccc4c(C)cc(=O)oc4c3[N+](=O)[O-])C2)[nH+]c1 ZINC001229946102 1033807649 /nfs/dbraw/zinc/80/76/49/1033807649.db2.gz LHWKMAYUGPHWTI-HNNXBMFYSA-N 1 1 395.415 3.761 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001230314617 1033991938 /nfs/dbraw/zinc/99/19/38/1033991938.db2.gz FYTQMEPGXJITEZ-JTDSTZFVSA-N 1 1 383.404 3.792 20 5 GHBDMO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC001207391230 1034337385 /nfs/dbraw/zinc/33/73/85/1034337385.db2.gz HGTGKPUFBYIEPF-MRXNPFEDSA-N 1 1 375.812 3.540 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231055654 1034368792 /nfs/dbraw/zinc/36/87/92/1034368792.db2.gz LZYYKQBVWYJSTR-KXBFYZLASA-N 1 1 378.432 3.827 20 5 GHBDMO COc1c(O)ccc(C[NH2+][C@@H](C)c2cc(Cl)cc3c2OCC3)c1[N+](=O)[O-] ZINC001207658632 1034515603 /nfs/dbraw/zinc/51/56/03/1034515603.db2.gz RJGCURHBPJAIQL-JTQLQIEISA-N 1 1 378.812 3.748 20 5 GHBDMO CCCC[C@](CC)(Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C(=O)OCC ZINC001160058798 1034846378 /nfs/dbraw/zinc/84/63/78/1034846378.db2.gz LXEINLZLYCIOMV-RDELFYGPSA-N 1 1 378.473 3.836 20 5 GHBDMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218785 1035168189 /nfs/dbraw/zinc/16/81/89/1035168189.db2.gz HLNBWWJENAKQNV-IBGZPJMESA-N 1 1 376.504 3.863 20 5 GHBDMO CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)CC[C@@H]21 ZINC001232222776 1035169850 /nfs/dbraw/zinc/16/98/50/1035169850.db2.gz QNJRYCMXOWKEQG-CTNGQTDRSA-N 1 1 388.515 3.862 20 5 GHBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3nc(Cl)cc(Cl)c3[N+](=O)[O-])C2)c1 ZINC001161187225 1035170354 /nfs/dbraw/zinc/17/03/54/1035170354.db2.gz ASNSOPOTHSEYTH-LBPRGKRZSA-N 1 1 397.262 3.992 20 5 GHBDMO CCOC(=O)N1CCC([N@@H+](C)Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232223960 1035171355 /nfs/dbraw/zinc/17/13/55/1035171355.db2.gz WTRCWUWCPGNPPG-UHFFFAOYSA-N 1 1 378.476 3.836 20 5 GHBDMO CCN(Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001461948010 1069908531 /nfs/dbraw/zinc/90/85/31/1069908531.db2.gz HOQQLWGUJJBWOJ-LPHOPBHVSA-N 1 1 399.491 3.966 20 5 GHBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC001161242649 1035189693 /nfs/dbraw/zinc/18/96/93/1035189693.db2.gz KLHQSODHPVCVEL-INIZCTEOSA-N 1 1 382.464 3.800 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001248209832 1035641483 /nfs/dbraw/zinc/64/14/83/1035641483.db2.gz ZKFLOUGBXKSBCD-CQSZACIVSA-N 1 1 378.310 3.906 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cc2ccccc2[nH]1 ZINC001253398174 1039600049 /nfs/dbraw/zinc/60/00/49/1039600049.db2.gz HHCLGSJTXYXFFH-UHFFFAOYSA-N 1 1 380.404 3.506 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001253435075 1039635649 /nfs/dbraw/zinc/63/56/49/1039635649.db2.gz SSHCLGLUFBHXOA-OAHLLOKOSA-N 1 1 393.447 3.598 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001253435075 1039635657 /nfs/dbraw/zinc/63/56/57/1039635657.db2.gz SSHCLGLUFBHXOA-OAHLLOKOSA-N 1 1 393.447 3.598 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC[C@@H](Oc4cccnc4)C3)CC2)cc1 ZINC001254479340 1040267121 /nfs/dbraw/zinc/26/71/21/1040267121.db2.gz YAQBMNWGCRPQNK-OAQYLSRUSA-N 1 1 382.464 3.502 20 5 GHBDMO COc1ccccc1O[C@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479285 1040267247 /nfs/dbraw/zinc/26/72/47/1040267247.db2.gz WKBXXCFKSVAKDN-FQEVSTJZSA-N 1 1 397.475 3.726 20 5 GHBDMO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H](C)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC001254538467 1040310677 /nfs/dbraw/zinc/31/06/77/1040310677.db2.gz VTAJKRJCCFORHJ-BEFAXECRSA-N 1 1 395.459 3.786 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001254552438 1040320817 /nfs/dbraw/zinc/32/08/17/1040320817.db2.gz LQSXURAVUYQKRV-OIISXLGYSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001254552438 1040320831 /nfs/dbraw/zinc/32/08/31/1040320831.db2.gz LQSXURAVUYQKRV-OIISXLGYSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001254560041 1040331954 /nfs/dbraw/zinc/33/19/54/1040331954.db2.gz OTAAZCOVSCLLON-RDJZCZTQSA-N 1 1 377.485 3.905 20 5 GHBDMO Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C3)CC2=O)cc1 ZINC001254561691 1040333823 /nfs/dbraw/zinc/33/38/23/1040333823.db2.gz IIUDYQHMMKFGQA-FDDCHVKYSA-N 1 1 393.487 3.963 20 5 GHBDMO CC(C)COC[C@@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(C)c21 ZINC001254560856 1040333909 /nfs/dbraw/zinc/33/39/09/1040333909.db2.gz HXZWFCOVQGFGKY-AEFFLSMTSA-N 1 1 386.496 3.531 20 5 GHBDMO CC(C)COC[C@@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(C)c21 ZINC001254560856 1040333926 /nfs/dbraw/zinc/33/39/26/1040333926.db2.gz HXZWFCOVQGFGKY-AEFFLSMTSA-N 1 1 386.496 3.531 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001254571330 1040348155 /nfs/dbraw/zinc/34/81/55/1040348155.db2.gz SNZYXAYKICYWAY-PXNSSMCTSA-N 1 1 382.460 3.981 20 5 GHBDMO CN(C[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)C(=O)OC(C)(C)C ZINC001254596412 1040369600 /nfs/dbraw/zinc/36/96/00/1040369600.db2.gz DKRQGPBIRVYCOK-HNAYVOBHSA-N 1 1 389.496 3.641 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](C2CC2)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605232 1040375926 /nfs/dbraw/zinc/37/59/26/1040375926.db2.gz APHZCPCBBMEGHF-MOPGFXCFSA-N 1 1 387.480 3.536 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001254605266 1040377184 /nfs/dbraw/zinc/37/71/84/1040377184.db2.gz AWNUMBZKPNKQFV-JOCHJYFZSA-N 1 1 377.488 3.660 20 5 GHBDMO CCOC(=O)C1([N@H+](Cc2ccccc2)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254608851 1040380773 /nfs/dbraw/zinc/38/07/73/1040380773.db2.gz CVLFYNFPRJQINP-FQEVSTJZSA-N 1 1 380.444 3.660 20 5 GHBDMO CCOC(=O)C1([N@@H+](Cc2ccccc2)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254608851 1040380792 /nfs/dbraw/zinc/38/07/92/1040380792.db2.gz CVLFYNFPRJQINP-FQEVSTJZSA-N 1 1 380.444 3.660 20 5 GHBDMO O=[N+]([O-])c1sc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Br ZINC001462478164 1070287173 /nfs/dbraw/zinc/28/71/73/1070287173.db2.gz ADEACIFPASFBLQ-GFCCVEGCSA-N 1 1 388.331 3.630 20 5 GHBDMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255388582 1040977159 /nfs/dbraw/zinc/97/71/59/1040977159.db2.gz YPGUXDWKUDFTDU-INIZCTEOSA-N 1 1 380.404 3.643 20 5 GHBDMO O=[N+]([O-])c1c(F)cccc1Cc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255427304 1041025346 /nfs/dbraw/zinc/02/53/46/1041025346.db2.gz JGFPIHZNOGTNCA-MRXNPFEDSA-N 1 1 382.395 3.697 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CC[C@H](C)C(F)(F)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093059 1041521814 /nfs/dbraw/zinc/52/18/14/1041521814.db2.gz FKSAJKUWJDUJDH-AWEZNQCLSA-N 1 1 383.439 3.939 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CC[C@@H](C)C(F)(F)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093060 1041522345 /nfs/dbraw/zinc/52/23/45/1041522345.db2.gz FKSAJKUWJDUJDH-CQSZACIVSA-N 1 1 383.439 3.939 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001292070647 1043582296 /nfs/dbraw/zinc/58/22/96/1043582296.db2.gz HGYFNKNLZNFHDH-AEFFLSMTSA-N 1 1 375.513 3.790 20 5 GHBDMO CC[C@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000489634450 1045906038 /nfs/dbraw/zinc/90/60/38/1045906038.db2.gz UBGCAYJIPZWWDR-JXFKEZNVSA-N 1 1 384.480 3.866 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC001302723361 1047066589 /nfs/dbraw/zinc/06/65/89/1047066589.db2.gz NEMHHCSDRHNTAQ-QGZVFWFLSA-N 1 1 385.489 3.629 20 5 GHBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCCCC1 ZINC001303270053 1047332635 /nfs/dbraw/zinc/33/26/35/1047332635.db2.gz FUPLWDVJZZJWOR-UHFFFAOYSA-N 1 1 386.500 3.574 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)c21 ZINC000612451311 1047543963 /nfs/dbraw/zinc/54/39/63/1047543963.db2.gz TWVURJJIEKHWHM-FGTMMUONSA-N 1 1 389.459 3.861 20 5 GHBDMO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[NH+]1CCOCC1 ZINC001306926132 1048962724 /nfs/dbraw/zinc/96/27/24/1048962724.db2.gz VOIJRKOGGXCYDF-SFHVURJKSA-N 1 1 388.443 3.565 20 5 GHBDMO CC[N@@H+](CCCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC001307158811 1049110521 /nfs/dbraw/zinc/11/05/21/1049110521.db2.gz ILRJTGOSZQJTRA-UHFFFAOYSA-N 1 1 386.496 3.903 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C)[N@@H+](CC)C[C@H]2C)cc1OC ZINC001307645097 1049471609 /nfs/dbraw/zinc/47/16/09/1049471609.db2.gz USNOVHWTPGOFIF-YESZJQIVSA-N 1 1 393.528 3.943 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001307759962 1049573838 /nfs/dbraw/zinc/57/38/38/1049573838.db2.gz HAZYJIMFWACWPX-GOSISDBHSA-N 1 1 391.830 3.667 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001307759962 1049573848 /nfs/dbraw/zinc/57/38/48/1049573848.db2.gz HAZYJIMFWACWPX-GOSISDBHSA-N 1 1 391.830 3.667 20 5 GHBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001307869403 1049651426 /nfs/dbraw/zinc/65/14/26/1049651426.db2.gz FMTCXSCEZCWDGO-OAQYLSRUSA-N 1 1 383.492 3.959 20 5 GHBDMO CC(C)N(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307869403 1049651433 /nfs/dbraw/zinc/65/14/33/1049651433.db2.gz FMTCXSCEZCWDGO-OAQYLSRUSA-N 1 1 383.492 3.959 20 5 GHBDMO CC(C)N(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307869403 1049651438 /nfs/dbraw/zinc/65/14/38/1049651438.db2.gz FMTCXSCEZCWDGO-OAQYLSRUSA-N 1 1 383.492 3.959 20 5 GHBDMO C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001307892658 1049670467 /nfs/dbraw/zinc/67/04/67/1049670467.db2.gz ATCOUKIGOUFYBB-QSNWEANLSA-N 1 1 383.492 3.612 20 5 GHBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001307892658 1049670470 /nfs/dbraw/zinc/67/04/70/1049670470.db2.gz ATCOUKIGOUFYBB-QSNWEANLSA-N 1 1 383.492 3.612 20 5 GHBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001307892658 1049670477 /nfs/dbraw/zinc/67/04/77/1049670477.db2.gz ATCOUKIGOUFYBB-QSNWEANLSA-N 1 1 383.492 3.612 20 5 GHBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC001307900818 1049678688 /nfs/dbraw/zinc/67/86/88/1049678688.db2.gz MBYMVIXTWZHSID-RHSMWYFYSA-N 1 1 390.867 3.650 20 5 GHBDMO Cc1ccc(C[C@]2(C)CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC001307971765 1049730649 /nfs/dbraw/zinc/73/06/49/1049730649.db2.gz FDPAKRJJEHDUOS-QHCPKHFHSA-N 1 1 393.487 3.890 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2CCc3nc[nH]c3C23CCCCC3)cccc1[N+](=O)[O-] ZINC001308072565 1049818729 /nfs/dbraw/zinc/81/87/29/1049818729.db2.gz DSZPTACTLOXFCH-UHFFFAOYSA-N 1 1 397.479 3.673 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCc3nc[nH]c3C23CCCCC3)cccc1[N+](=O)[O-] ZINC001308072565 1049818740 /nfs/dbraw/zinc/81/87/40/1049818740.db2.gz DSZPTACTLOXFCH-UHFFFAOYSA-N 1 1 397.479 3.673 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001308222476 1049918739 /nfs/dbraw/zinc/91/87/39/1049918739.db2.gz XYDSZLWSVNUUJS-UHFFFAOYSA-N 1 1 395.415 3.982 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001331553026 1051322856 /nfs/dbraw/zinc/32/28/56/1051322856.db2.gz AMGNYKQUHTUDQH-UHFFFAOYSA-N 1 1 375.812 3.635 20 5 GHBDMO Cc1cc(NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001310488605 1051392629 /nfs/dbraw/zinc/39/26/29/1051392629.db2.gz WCOOCXHORPWVIM-LJQANCHMSA-N 1 1 382.464 3.684 20 5 GHBDMO CCOc1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC001319326329 1055183522 /nfs/dbraw/zinc/18/35/22/1055183522.db2.gz YEHANKVTRMIQBF-UHFFFAOYSA-N 1 1 383.448 3.689 20 5 GHBDMO Cc1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001319739427 1055436084 /nfs/dbraw/zinc/43/60/84/1055436084.db2.gz FWERSMIMNMUYFS-HNNXBMFYSA-N 1 1 391.431 3.849 20 5 GHBDMO Cc1cccc(NC[C@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC001320051430 1055623521 /nfs/dbraw/zinc/62/35/21/1055623521.db2.gz JKBISWLHLCBESZ-QGZVFWFLSA-N 1 1 397.479 3.512 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)c1ccc([S@](C)=O)cc1 ZINC001320530678 1055862518 /nfs/dbraw/zinc/86/25/18/1055862518.db2.gz AZWBRTOROWXTNG-RULNZOCKSA-N 1 1 397.294 3.946 20 5 GHBDMO COC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001320711270 1055936787 /nfs/dbraw/zinc/93/67/87/1055936787.db2.gz KDQNBSCRTQUBJW-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001325509587 1057336643 /nfs/dbraw/zinc/33/66/43/1057336643.db2.gz CSJCTLNOGAHRPR-VHSSKADRSA-N 1 1 395.887 3.712 20 5 GHBDMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001338886743 1058857920 /nfs/dbraw/zinc/85/79/20/1058857920.db2.gz IEZPMOJXABTFKV-NRFANRHFSA-N 1 1 381.476 3.916 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001454842390 1061944333 /nfs/dbraw/zinc/94/43/33/1061944333.db2.gz DZFAHGGRZKWFQL-PBHICJAKSA-N 1 1 377.510 3.653 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)cc1 ZINC001458083666 1063554217 /nfs/dbraw/zinc/55/42/17/1063554217.db2.gz VKCNFJSPASABND-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001458141353 1063595992 /nfs/dbraw/zinc/59/59/92/1063595992.db2.gz ZOUMXUJMNXDQLE-UHFFFAOYSA-N 1 1 376.416 3.933 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC001458315240 1063738575 /nfs/dbraw/zinc/73/85/75/1063738575.db2.gz LWGAPBYSQMMVKP-HNNXBMFYSA-N 1 1 379.432 3.903 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC001458315240 1063738592 /nfs/dbraw/zinc/73/85/92/1063738592.db2.gz LWGAPBYSQMMVKP-HNNXBMFYSA-N 1 1 379.432 3.903 20 5 GHBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001458356117 1063761017 /nfs/dbraw/zinc/76/10/17/1063761017.db2.gz ASHQDOSXYAIWFL-KRWDZBQOSA-N 1 1 397.401 3.671 20 5 GHBDMO CC(C)[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC001458486689 1063841180 /nfs/dbraw/zinc/84/11/80/1063841180.db2.gz IBBVOOWCLGQJJI-QGZVFWFLSA-N 1 1 397.504 3.946 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001438200131 1064005379 /nfs/dbraw/zinc/00/53/79/1064005379.db2.gz WRXCSBOIESUSGY-TYCQWZJGSA-N 1 1 379.460 3.604 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001459608266 1064140790 /nfs/dbraw/zinc/14/07/90/1064140790.db2.gz KYLULUVDOSHWPM-PBHICJAKSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001459608266 1064140799 /nfs/dbraw/zinc/14/07/99/1064140799.db2.gz KYLULUVDOSHWPM-PBHICJAKSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1ccc(C[C@H]2CC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC001459646639 1064153672 /nfs/dbraw/zinc/15/36/72/1064153672.db2.gz ARVBDMPKRDJQSB-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001459649421 1064153816 /nfs/dbraw/zinc/15/38/16/1064153816.db2.gz BDQNZCCGNAXZFY-NZQKXSOJSA-N 1 1 395.503 3.960 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(CC)CC ZINC001459738169 1064193378 /nfs/dbraw/zinc/19/33/78/1064193378.db2.gz AFEBNEJCWFUTPW-MSOLQXFVSA-N 1 1 377.485 3.757 20 5 GHBDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC001473259319 1067064085 /nfs/dbraw/zinc/06/40/85/1067064085.db2.gz GXEIMZFGTJGVQW-ZWKOTPCHSA-N 1 1 395.475 3.978 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001468996805 1067948032 /nfs/dbraw/zinc/94/80/32/1067948032.db2.gz VEDNTLCBNLTIRZ-RCCFBDPRSA-N 1 1 396.491 3.788 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001361048151 1068751393 /nfs/dbraw/zinc/75/13/93/1068751393.db2.gz RHYHVBDYZYCRDC-SEPFQZFQSA-N 1 1 393.487 3.725 20 5 GHBDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001460257499 1068889114 /nfs/dbraw/zinc/88/91/14/1068889114.db2.gz LVUPTLLNBHIGAY-LJQANCHMSA-N 1 1 379.460 3.752 20 5 GHBDMO Cc1ccc(CN2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC001460693418 1069091739 /nfs/dbraw/zinc/09/17/39/1069091739.db2.gz LPXWQOYZJTXBIP-XXBNENTESA-N 1 1 395.503 3.769 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC001460693418 1069091740 /nfs/dbraw/zinc/09/17/40/1069091740.db2.gz LPXWQOYZJTXBIP-XXBNENTESA-N 1 1 395.503 3.769 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC001460693418 1069091742 /nfs/dbraw/zinc/09/17/42/1069091742.db2.gz LPXWQOYZJTXBIP-XXBNENTESA-N 1 1 395.503 3.769 20 5 GHBDMO Cc1cc2c(cc1Br)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001460829422 1069206069 /nfs/dbraw/zinc/20/60/69/1069206069.db2.gz UZRQXYKIOYKHGH-SFHVURJKSA-N 1 1 391.265 3.757 20 5 GHBDMO Cc1cc2c(cc1Br)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001460829422 1069206075 /nfs/dbraw/zinc/20/60/75/1069206075.db2.gz UZRQXYKIOYKHGH-SFHVURJKSA-N 1 1 391.265 3.757 20 5 GHBDMO CSc1cccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001460892391 1069257518 /nfs/dbraw/zinc/25/75/18/1069257518.db2.gz WWMLVXIGIKNLPJ-HNNXBMFYSA-N 1 1 385.489 3.663 20 5 GHBDMO CSc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001460892391 1069257530 /nfs/dbraw/zinc/25/75/30/1069257530.db2.gz WWMLVXIGIKNLPJ-HNNXBMFYSA-N 1 1 385.489 3.663 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001470780593 1072736513 /nfs/dbraw/zinc/73/65/13/1072736513.db2.gz TWTNYLMFZRDJCL-FBEWHJACSA-N 1 1 393.487 3.725 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001470781336 1072736839 /nfs/dbraw/zinc/73/68/39/1072736839.db2.gz OPWMIMUYQGAFHV-OXJNMPFZSA-N 1 1 399.516 3.714 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001471315213 1073014768 /nfs/dbraw/zinc/01/47/68/1073014768.db2.gz ODZUVFFFDHWHPK-LJQANCHMSA-N 1 1 381.476 3.572 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)c2c1 ZINC001472711859 1073630077 /nfs/dbraw/zinc/63/00/77/1073630077.db2.gz HKZCRFGGPVVOJG-QGZVFWFLSA-N 1 1 392.459 3.862 20 5 GHBDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473269699 1073900111 /nfs/dbraw/zinc/90/01/11/1073900111.db2.gz HHPHULVRUUSODS-LJQANCHMSA-N 1 1 381.476 3.827 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1OC ZINC001473391346 1073947000 /nfs/dbraw/zinc/94/70/00/1073947000.db2.gz QMVJSWHFTMBGPI-MDOVXXIYSA-N 1 1 380.485 3.885 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1OC ZINC001473391346 1073947003 /nfs/dbraw/zinc/94/70/03/1073947003.db2.gz QMVJSWHFTMBGPI-MDOVXXIYSA-N 1 1 380.485 3.885 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473507328 1073993837 /nfs/dbraw/zinc/99/38/37/1073993837.db2.gz XGICMXMHKULCOE-JXXFODFXSA-N 1 1 379.460 3.750 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001473561298 1074016628 /nfs/dbraw/zinc/01/66/28/1074016628.db2.gz KYCJQIHOSXQFHR-JSGCOSHPSA-N 1 1 382.432 3.542 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001473561298 1074016637 /nfs/dbraw/zinc/01/66/37/1074016637.db2.gz KYCJQIHOSXQFHR-JSGCOSHPSA-N 1 1 382.432 3.542 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)c1 ZINC001473760537 1074127584 /nfs/dbraw/zinc/12/75/84/1074127584.db2.gz DBCITQXWVCSHKP-GCJKJVERSA-N 1 1 392.459 3.898 20 5 GHBDMO COc1ccc(CN2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001473778089 1074137401 /nfs/dbraw/zinc/13/74/01/1074137401.db2.gz QCUUIIBQVAEIIY-KNQAVFIVSA-N 1 1 381.476 3.557 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC001473818675 1074159163 /nfs/dbraw/zinc/15/91/63/1074159163.db2.gz RXYUSHPLIOQDON-DNVCBOLYSA-N 1 1 383.448 3.810 20 5 GHBDMO Cc1c(C[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC001473988407 1074227150 /nfs/dbraw/zinc/22/71/50/1074227150.db2.gz CZEIIJHJMDTRAM-MRXNPFEDSA-N 1 1 386.471 3.645 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001474374790 1074370953 /nfs/dbraw/zinc/37/09/53/1074370953.db2.gz DGAHKGJPSNNASQ-WMLDXEAASA-N 1 1 377.485 3.947 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001476324212 1075124951 /nfs/dbraw/zinc/12/49/51/1075124951.db2.gz AWJMENCGBSMZAP-VXGBXAGGSA-N 1 1 388.390 3.856 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000820122059 607176367 /nfs/dbraw/zinc/17/63/67/607176367.db2.gz YTYHNFXCGRDPEW-UHFFFAOYSA-N 1 1 386.843 3.839 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824771528 608465046 /nfs/dbraw/zinc/46/50/46/608465046.db2.gz QXGGTZKTTVIUHA-AWEZNQCLSA-N 1 1 376.420 3.625 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825975989 608521560 /nfs/dbraw/zinc/52/15/60/608521560.db2.gz CWNHOVYGMWZYBX-UHFFFAOYSA-N 1 1 390.403 3.667 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164625180 719073806 /nfs/dbraw/zinc/07/38/06/719073806.db2.gz MYOYHHCHVFRCPO-LAUBAEHRSA-N 1 1 389.459 3.639 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275588370 837557379 /nfs/dbraw/zinc/55/73/79/837557379.db2.gz CFIGJEMIHRFTRT-RBUKOAKNSA-N 1 1 397.425 3.728 20 5 GHBDMO COc1c(O)ccc(C[NH2+]Cc2ccccc2OCC(F)(F)F)c1[N+](=O)[O-] ZINC000892654925 837589427 /nfs/dbraw/zinc/58/94/27/837589427.db2.gz SCGWQYLNGIHXFI-UHFFFAOYSA-N 1 1 386.326 3.540 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)[C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000180977596 837753117 /nfs/dbraw/zinc/75/31/17/837753117.db2.gz UOUQWCHLSSIKSS-MRXNPFEDSA-N 1 1 385.464 3.505 20 5 GHBDMO CC[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+](C)Cc1ccccc1 ZINC000581975368 837759853 /nfs/dbraw/zinc/75/98/53/837759853.db2.gz AEJXAIDNETZXSF-OAQYLSRUSA-N 1 1 394.475 3.645 20 5 GHBDMO C[C@H](C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CO)c1ccccc1 ZINC000583582530 834691717 /nfs/dbraw/zinc/69/17/17/834691717.db2.gz PLXAVKPGMUDEGU-CVEARBPZSA-N 1 1 396.447 3.631 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186940487 834810875 /nfs/dbraw/zinc/81/08/75/834810875.db2.gz NZDKRMYTHNSWQL-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246309311 834869670 /nfs/dbraw/zinc/86/96/70/834869670.db2.gz FYKGZJOUPDIARG-KURKYZTESA-N 1 1 388.512 3.508 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091772895 835009484 /nfs/dbraw/zinc/00/94/84/835009484.db2.gz ZDEAPEQLONVRSK-IBGZPJMESA-N 1 1 386.448 3.793 20 5 GHBDMO CNc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000610200149 835022116 /nfs/dbraw/zinc/02/21/16/835022116.db2.gz KXQOSPHOKABRHI-RDTXWAMCSA-N 1 1 388.493 3.511 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126867787 835107098 /nfs/dbraw/zinc/10/70/98/835107098.db2.gz PMHGWOBAUUCJNZ-CABCVRRESA-N 1 1 394.431 3.943 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126867787 835107100 /nfs/dbraw/zinc/10/71/00/835107100.db2.gz PMHGWOBAUUCJNZ-CABCVRRESA-N 1 1 394.431 3.943 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H]1CCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001167072623 835233266 /nfs/dbraw/zinc/23/32/66/835233266.db2.gz SOGMLRKTNVCRIZ-IBGZPJMESA-N 1 1 379.460 3.581 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000157636541 835290515 /nfs/dbraw/zinc/29/05/15/835290515.db2.gz GCTLVBQIQFQNSF-MRXNPFEDSA-N 1 1 399.422 3.657 20 5 GHBDMO CCCC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179613598 835894004 /nfs/dbraw/zinc/89/40/04/835894004.db2.gz DCLGLBGBNSZJBU-KRWDZBQOSA-N 1 1 392.477 3.644 20 5 GHBDMO CCCC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179613598 835894007 /nfs/dbraw/zinc/89/40/07/835894007.db2.gz DCLGLBGBNSZJBU-KRWDZBQOSA-N 1 1 392.477 3.644 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000411174510 836077255 /nfs/dbraw/zinc/07/72/55/836077255.db2.gz SKPNBXBXMYRSFF-ZDUSSCGKSA-N 1 1 375.400 3.764 20 5 GHBDMO CC(C)Oc1cc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000411505255 836187009 /nfs/dbraw/zinc/18/70/09/836187009.db2.gz NTWFEEYQIRLLRB-UHFFFAOYSA-N 1 1 377.485 3.719 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)Cc1ccsc1 ZINC000411573794 836217646 /nfs/dbraw/zinc/21/76/46/836217646.db2.gz UBMSZNDPIJCYLZ-AWEZNQCLSA-N 1 1 391.493 3.947 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510164348 836326807 /nfs/dbraw/zinc/32/68/07/836326807.db2.gz DWNTWVXHXIAIKI-AEFFLSMTSA-N 1 1 397.475 3.634 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174122416 836383582 /nfs/dbraw/zinc/38/35/82/836383582.db2.gz FIAIAVZGUROLCW-QGZVFWFLSA-N 1 1 398.463 3.589 20 5 GHBDMO COc1cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180171993 836465916 /nfs/dbraw/zinc/46/59/16/836465916.db2.gz AHZWUVUABSKTGK-QWRGUYRKSA-N 1 1 376.425 3.573 20 5 GHBDMO COc1cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180171993 836465919 /nfs/dbraw/zinc/46/59/19/836465919.db2.gz AHZWUVUABSKTGK-QWRGUYRKSA-N 1 1 376.425 3.573 20 5 GHBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000510192949 836717735 /nfs/dbraw/zinc/71/77/35/836717735.db2.gz MMAACULVWVOLTK-INIZCTEOSA-N 1 1 398.381 3.794 20 5 GHBDMO COc1ccc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000467172819 836905550 /nfs/dbraw/zinc/90/55/50/836905550.db2.gz YKXHYGAXZYSRBT-OAHLLOKOSA-N 1 1 383.448 3.810 20 5 GHBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247139244 836922974 /nfs/dbraw/zinc/92/29/74/836922974.db2.gz WDCGNMWCTWORBN-FXAWDEMLSA-N 1 1 397.450 3.861 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](c4ccccc4)C3)o2)c1 ZINC000170908419 836933254 /nfs/dbraw/zinc/93/32/54/836933254.db2.gz GTFFJLWQLDGEHW-FQEVSTJZSA-N 1 1 379.416 3.866 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C)cc1C ZINC001167227138 836963381 /nfs/dbraw/zinc/96/33/81/836963381.db2.gz HUUFNHKTUGTHFG-UHFFFAOYSA-N 1 1 399.491 3.997 20 5 GHBDMO CCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000247199598 837207091 /nfs/dbraw/zinc/20/70/91/837207091.db2.gz QXDZLQRGOUHOHX-HIFRSBDPSA-N 1 1 383.876 3.856 20 5 GHBDMO CCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000247199598 837207097 /nfs/dbraw/zinc/20/70/97/837207097.db2.gz QXDZLQRGOUHOHX-HIFRSBDPSA-N 1 1 383.876 3.856 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000412240754 837884685 /nfs/dbraw/zinc/88/46/85/837884685.db2.gz GVRQENGYAURUPZ-DOTOQJQBSA-N 1 1 389.496 3.765 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377761532 837937822 /nfs/dbraw/zinc/93/78/22/837937822.db2.gz BRTGCCVKGXZSPF-XOKHGSTOSA-N 1 1 384.436 3.739 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377761532 837937826 /nfs/dbraw/zinc/93/78/26/837937826.db2.gz BRTGCCVKGXZSPF-XOKHGSTOSA-N 1 1 384.436 3.739 20 5 GHBDMO COc1ccc2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)C2 ZINC000177462153 837960418 /nfs/dbraw/zinc/96/04/18/837960418.db2.gz JTHAQAUYZNVMAH-OAQYLSRUSA-N 1 1 378.432 3.600 20 5 GHBDMO COc1ccc2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)C2 ZINC000177462153 837960425 /nfs/dbraw/zinc/96/04/25/837960425.db2.gz JTHAQAUYZNVMAH-OAQYLSRUSA-N 1 1 378.432 3.600 20 5 GHBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000189018644 838045200 /nfs/dbraw/zinc/04/52/00/838045200.db2.gz GORFZEQRZJTIGX-BEFAXECRSA-N 1 1 397.475 3.695 20 5 GHBDMO CC[N@@H+](C)[C@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000610070081 838659216 /nfs/dbraw/zinc/65/92/16/838659216.db2.gz SLIJONUDXHOHEC-FQEVSTJZSA-N 1 1 384.480 3.514 20 5 GHBDMO Cc1c(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000163953752 838844137 /nfs/dbraw/zinc/84/41/37/838844137.db2.gz YAJFQMLPQXYKSN-INIZCTEOSA-N 1 1 387.505 3.536 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000378461328 839153733 /nfs/dbraw/zinc/15/37/33/839153733.db2.gz JSZJYYQUOHMMPN-GOOCMWNKSA-N 1 1 377.510 3.840 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000020813414 839668346 /nfs/dbraw/zinc/66/83/46/839668346.db2.gz GVVYYWPLNUZIRK-LBPRGKRZSA-N 1 1 392.253 3.989 20 5 GHBDMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000020813414 839668352 /nfs/dbraw/zinc/66/83/52/839668352.db2.gz GVVYYWPLNUZIRK-LBPRGKRZSA-N 1 1 392.253 3.989 20 5 GHBDMO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015099266 840170376 /nfs/dbraw/zinc/17/03/76/840170376.db2.gz GSNYXNFXXABVOE-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015099266 840170385 /nfs/dbraw/zinc/17/03/85/840170385.db2.gz GSNYXNFXXABVOE-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO C[C@H](O)CC[N@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000247573378 844516240 /nfs/dbraw/zinc/51/62/40/844516240.db2.gz RZHVWGDTCLAICT-SCLBCKFNSA-N 1 1 391.855 3.631 20 5 GHBDMO C[C@H](O)CC[N@@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000247573378 844516249 /nfs/dbraw/zinc/51/62/49/844516249.db2.gz RZHVWGDTCLAICT-SCLBCKFNSA-N 1 1 391.855 3.631 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511712663 840543360 /nfs/dbraw/zinc/54/33/60/840543360.db2.gz LHQAUCSWOGMMJO-HXUWFJFHSA-N 1 1 397.475 3.634 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000581207224 840850246 /nfs/dbraw/zinc/85/02/46/840850246.db2.gz GCXFXATWYJPDDH-INIZCTEOSA-N 1 1 382.464 3.523 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000151068956 844580025 /nfs/dbraw/zinc/58/00/25/844580025.db2.gz LADXDZROVUIEKN-UHFFFAOYSA-N 1 1 395.503 3.898 20 5 GHBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181668170 840887853 /nfs/dbraw/zinc/88/78/53/840887853.db2.gz VOBCKJBYOUTQGM-OLZOCXBDSA-N 1 1 397.422 3.579 20 5 GHBDMO Cn1cc[nH+]c1C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000610282257 841240386 /nfs/dbraw/zinc/24/03/86/841240386.db2.gz BHPIXFUXBOFVJI-QGZVFWFLSA-N 1 1 391.431 3.609 20 5 GHBDMO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000500002615 841252155 /nfs/dbraw/zinc/25/21/55/841252155.db2.gz MKNMUOMJPYFZJD-FXAWDEMLSA-N 1 1 397.475 3.658 20 5 GHBDMO CCOC(=O)c1cc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000432920588 844634111 /nfs/dbraw/zinc/63/41/11/844634111.db2.gz ZFTCUONAKKCWTO-UHFFFAOYSA-N 1 1 398.463 3.688 20 5 GHBDMO C[N@@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000600178194 861193942 /nfs/dbraw/zinc/19/39/42/861193942.db2.gz GWIFUWLAAPDKLC-IBGZPJMESA-N 1 1 392.839 3.624 20 5 GHBDMO C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000131098875 861194408 /nfs/dbraw/zinc/19/44/08/861194408.db2.gz OOIGZXLTSGCVOG-VQIMIIECSA-N 1 1 399.516 3.607 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000107586400 841396656 /nfs/dbraw/zinc/39/66/56/841396656.db2.gz IWUXLFMCHUGGJO-KRWDZBQOSA-N 1 1 397.475 3.664 20 5 GHBDMO COc1cccc([C@H]2[C@@H](Nc3nc4sccn4c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000302076125 861198447 /nfs/dbraw/zinc/19/84/47/861198447.db2.gz WGZKNTQSNRRMOG-HOTGVXAUSA-N 1 1 399.476 3.703 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000123085530 841416219 /nfs/dbraw/zinc/41/62/19/841416219.db2.gz BPLLPZQYDMSDJF-UHFFFAOYSA-N 1 1 399.382 3.558 20 5 GHBDMO O=C(CC[N@H+](Cc1ccccc1)CC1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000500097143 841428105 /nfs/dbraw/zinc/42/81/05/841428105.db2.gz GTNFIFWOIXBCKS-UHFFFAOYSA-N 1 1 397.475 3.852 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000500181919 841591735 /nfs/dbraw/zinc/59/17/35/841591735.db2.gz BFLNBEXDCAYGRP-JOCHJYFZSA-N 1 1 397.475 3.986 20 5 GHBDMO C[NH+](C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1Cl ZINC000603838477 861229247 /nfs/dbraw/zinc/22/92/47/861229247.db2.gz OBDCITCMQMBAQP-GOSISDBHSA-N 1 1 388.855 3.848 20 5 GHBDMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cs1 ZINC000109246582 841840920 /nfs/dbraw/zinc/84/09/20/841840920.db2.gz PAPMFIWZQFJRKA-UHFFFAOYSA-N 1 1 388.493 3.827 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000603834214 861248357 /nfs/dbraw/zinc/24/83/57/861248357.db2.gz LUMACNWJKSLTDP-CJNGLKHVSA-N 1 1 394.435 3.684 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000603834214 861248369 /nfs/dbraw/zinc/24/83/69/861248369.db2.gz LUMACNWJKSLTDP-CJNGLKHVSA-N 1 1 394.435 3.684 20 5 GHBDMO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000110388496 841901249 /nfs/dbraw/zinc/90/12/49/841901249.db2.gz LDBMHAXUXFIVJR-IHWFROFDSA-N 1 1 379.460 3.829 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c2c(c1)COCO2 ZINC000599504790 861256756 /nfs/dbraw/zinc/25/67/56/861256756.db2.gz QOGBFFZIMXWBOY-UHFFFAOYSA-N 1 1 388.395 3.644 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000896624962 861261883 /nfs/dbraw/zinc/26/18/83/861261883.db2.gz ZFSFBAPABSFWFI-RKDXNWHRSA-N 1 1 378.231 3.595 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@H+]1Cc1ccccc1 ZINC000157928984 842174014 /nfs/dbraw/zinc/17/40/14/842174014.db2.gz MXRFLNOABZFOGM-RDJZCZTQSA-N 1 1 390.443 3.536 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000512104125 842506011 /nfs/dbraw/zinc/50/60/11/842506011.db2.gz HKIJEFJACRHEOC-CABCVRRESA-N 1 1 399.447 3.560 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000512104125 842506019 /nfs/dbraw/zinc/50/60/19/842506019.db2.gz HKIJEFJACRHEOC-CABCVRRESA-N 1 1 399.447 3.560 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600230523 861317491 /nfs/dbraw/zinc/31/74/91/861317491.db2.gz SZPMBRWYNUEYEC-AWEZNQCLSA-N 1 1 385.386 3.750 20 5 GHBDMO Cc1c(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000121520611 842528399 /nfs/dbraw/zinc/52/83/99/842528399.db2.gz SBGICKPLNHZZEV-GASCZTMLSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1c(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000121520611 842528405 /nfs/dbraw/zinc/52/84/05/842528405.db2.gz SBGICKPLNHZZEV-GASCZTMLSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1c(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000121520767 842533873 /nfs/dbraw/zinc/53/38/73/842533873.db2.gz SBGICKPLNHZZEV-HUUCEWRRSA-N 1 1 383.448 3.765 20 5 GHBDMO CCc1nn(C)c(CC)c1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000169248399 842781059 /nfs/dbraw/zinc/78/10/59/842781059.db2.gz MHSHUSQROSRCSI-UHFFFAOYSA-N 1 1 385.493 3.866 20 5 GHBDMO COc1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1OC(C)C ZINC000510523482 842894330 /nfs/dbraw/zinc/89/43/30/842894330.db2.gz LXWGPDSFENEHET-UHFFFAOYSA-N 1 1 385.464 3.713 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ncccc12 ZINC000302783077 861363051 /nfs/dbraw/zinc/36/30/51/861363051.db2.gz KTEUKEYRMDCYDX-GOSISDBHSA-N 1 1 392.459 3.846 20 5 GHBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000126040437 842934862 /nfs/dbraw/zinc/93/48/62/842934862.db2.gz SEVQNZMASNTTMS-JXFKEZNVSA-N 1 1 396.491 3.619 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(c4ccc(F)cn4)CC3)o2)c1 ZINC000572324843 843192923 /nfs/dbraw/zinc/19/29/23/843192923.db2.gz JVVNWAVQAVOKEI-UHFFFAOYSA-N 1 1 382.395 3.711 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000603919590 861401787 /nfs/dbraw/zinc/40/17/87/861401787.db2.gz QPLATPHDYRDLKD-CVEARBPZSA-N 1 1 381.432 3.744 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000510834234 843592919 /nfs/dbraw/zinc/59/29/19/843592919.db2.gz QDULFUURJGEBLL-FQEVSTJZSA-N 1 1 396.491 3.695 20 5 GHBDMO C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCCC[C@@H]1C ZINC000510849808 843611244 /nfs/dbraw/zinc/61/12/44/843611244.db2.gz BLHOBULIIFQSOV-NWDGAFQWSA-N 1 1 386.399 3.581 20 5 GHBDMO CC(C)(CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000429880608 843846418 /nfs/dbraw/zinc/84/64/18/843846418.db2.gz AEMCPAMHMUALJL-UHFFFAOYSA-N 1 1 395.503 3.826 20 5 GHBDMO C[N@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433230312 843892277 /nfs/dbraw/zinc/89/22/77/843892277.db2.gz FJFVUNOORKNSSP-KRWDZBQOSA-N 1 1 377.803 3.625 20 5 GHBDMO C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433230312 843892288 /nfs/dbraw/zinc/89/22/88/843892288.db2.gz FJFVUNOORKNSSP-KRWDZBQOSA-N 1 1 377.803 3.625 20 5 GHBDMO COc1ccccc1C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731210071 861505496 /nfs/dbraw/zinc/50/54/96/861505496.db2.gz MEWHESTUQMJVIG-UHFFFAOYSA-N 1 1 384.461 3.535 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c2ccccc12 ZINC000538735606 845601151 /nfs/dbraw/zinc/60/11/51/845601151.db2.gz NFGDPWYHLIOGSK-INIZCTEOSA-N 1 1 378.432 3.838 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)c1 ZINC000611572189 846139134 /nfs/dbraw/zinc/13/91/34/846139134.db2.gz LFNQAIRGKHEEQK-UHFFFAOYSA-N 1 1 386.477 3.550 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@]34CCOC4)o2)c(Br)c1 ZINC000421401179 846194814 /nfs/dbraw/zinc/19/48/14/846194814.db2.gz TTYNCLMYGMHSPB-QGZVFWFLSA-N 1 1 393.237 3.982 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)o2)cc1 ZINC000119835574 846363409 /nfs/dbraw/zinc/36/34/09/846363409.db2.gz SYDXZYQGXKABMT-MRXNPFEDSA-N 1 1 393.447 3.772 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000501114206 846662241 /nfs/dbraw/zinc/66/22/41/846662241.db2.gz CTORYBXISMVBFG-KRWDZBQOSA-N 1 1 397.431 3.532 20 5 GHBDMO Cc1cccc(N2CCC(Nc3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)[nH+]1 ZINC000413147833 846734474 /nfs/dbraw/zinc/73/44/74/846734474.db2.gz OZOCVULFPURODH-UHFFFAOYSA-N 1 1 381.358 3.793 20 5 GHBDMO COc1cc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)ccc1OCc1ccccc1 ZINC000478415319 847076876 /nfs/dbraw/zinc/07/68/76/847076876.db2.gz GRHQUOMJYJYCCX-UHFFFAOYSA-N 1 1 396.447 3.511 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506935 861752568 /nfs/dbraw/zinc/75/25/68/861752568.db2.gz BCHUITVUXKDQNY-OALUTQOASA-N 1 1 375.513 3.950 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829680 861756793 /nfs/dbraw/zinc/75/67/93/861756793.db2.gz BMCJSDDGZUCEGJ-HNNXBMFYSA-N 1 1 385.468 3.919 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000127731311 847364470 /nfs/dbraw/zinc/36/44/70/847364470.db2.gz RGZQLJCFYMMRRL-IBGZPJMESA-N 1 1 396.491 3.898 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303678454 861833343 /nfs/dbraw/zinc/83/33/43/861833343.db2.gz YKDLFVGXZMMTJY-KURKYZTESA-N 1 1 388.512 3.508 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000502455286 847911246 /nfs/dbraw/zinc/91/12/46/847911246.db2.gz JQUQZPGUYSWVBH-RDJZCZTQSA-N 1 1 379.526 3.846 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709258 848218203 /nfs/dbraw/zinc/21/82/03/848218203.db2.gz SEJXIWWNNZLOMJ-BEFAXECRSA-N 1 1 377.448 3.861 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2cnccc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000611938208 848333391 /nfs/dbraw/zinc/33/33/91/848333391.db2.gz BRJQZDNZQXEXGM-GFCCVEGCSA-N 1 1 381.379 3.802 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000132132816 861916850 /nfs/dbraw/zinc/91/68/50/861916850.db2.gz MKOLTAMDJQEMKO-WMZOPIPTSA-N 1 1 397.475 3.729 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000555816881 861932541 /nfs/dbraw/zinc/93/25/41/861932541.db2.gz ZAHRQKXYLXXSEM-NWDGAFQWSA-N 1 1 398.301 3.658 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000494257858 881342019 /nfs/dbraw/zinc/34/20/19/881342019.db2.gz VDDTZMJPNSBRHI-KRWDZBQOSA-N 1 1 397.475 3.778 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000514683209 850135871 /nfs/dbraw/zinc/13/58/71/850135871.db2.gz UJNHLMZYBGYTTR-ZWKOTPCHSA-N 1 1 387.524 3.985 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000505632773 850230572 /nfs/dbraw/zinc/23/05/72/850230572.db2.gz KDMOIRYHTNAFNQ-LJQANCHMSA-N 1 1 377.510 3.655 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000163575864 850346633 /nfs/dbraw/zinc/34/66/33/850346633.db2.gz ZYYKWRWIVAENOF-UHFFFAOYSA-N 1 1 375.856 3.889 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](n4ccnn4)C3)o2)c(Cl)c1 ZINC000425357063 850438257 /nfs/dbraw/zinc/43/82/57/850438257.db2.gz XFIPPTXHZDLKHT-AWEZNQCLSA-N 1 1 387.827 3.937 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000425375073 850496336 /nfs/dbraw/zinc/49/63/36/850496336.db2.gz SYGBZSZIRORAPE-QGZVFWFLSA-N 1 1 382.407 3.977 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000425375073 850496342 /nfs/dbraw/zinc/49/63/42/850496342.db2.gz SYGBZSZIRORAPE-QGZVFWFLSA-N 1 1 382.407 3.977 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000505253881 850760554 /nfs/dbraw/zinc/76/05/54/850760554.db2.gz IIZXTWRDYXUOPS-QPJJXVBHSA-N 1 1 381.476 3.825 20 5 GHBDMO C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000425017642 850868469 /nfs/dbraw/zinc/86/84/69/850868469.db2.gz ZJWZSXAYRPMVFV-LDBYXDLTSA-N 1 1 397.450 3.570 20 5 GHBDMO COc1cccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000435931671 851006682 /nfs/dbraw/zinc/00/66/82/851006682.db2.gz YLOBIHDBRXRVPM-SJLPKXTDSA-N 1 1 397.475 3.634 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000436271295 851414278 /nfs/dbraw/zinc/41/42/78/851414278.db2.gz DFDHQQNDMTZMLP-UHFFFAOYSA-N 1 1 398.360 3.860 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488366286 851434658 /nfs/dbraw/zinc/43/46/58/851434658.db2.gz MRCYHOBUPHSDMO-UHFFFAOYSA-N 1 1 379.254 3.660 20 5 GHBDMO C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000488398834 851469617 /nfs/dbraw/zinc/46/96/17/851469617.db2.gz QRZFNLJNHGQNPC-MRXNPFEDSA-N 1 1 396.491 3.576 20 5 GHBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000430091515 851521626 /nfs/dbraw/zinc/52/16/26/851521626.db2.gz STQIZIVBKHBHBH-INIZCTEOSA-N 1 1 392.477 3.644 20 5 GHBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000430091515 851521633 /nfs/dbraw/zinc/52/16/33/851521633.db2.gz STQIZIVBKHBHBH-INIZCTEOSA-N 1 1 392.477 3.644 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425553285 851917388 /nfs/dbraw/zinc/91/73/88/851917388.db2.gz MAIQMUVYKUZNMW-RDTXWAMCSA-N 1 1 398.463 3.987 20 5 GHBDMO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc21 ZINC000506174685 852002294 /nfs/dbraw/zinc/00/22/94/852002294.db2.gz QKYGIRGGJFQQCQ-UHFFFAOYSA-N 1 1 396.447 3.849 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000163186895 862319289 /nfs/dbraw/zinc/31/92/89/862319289.db2.gz UELKRLDLYOAYBM-OAHLLOKOSA-N 1 1 388.493 3.998 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(OC)c(O)c3)o2)c([N+](=O)[O-])c1 ZINC000517549322 852106031 /nfs/dbraw/zinc/10/60/31/852106031.db2.gz HWKQASBLVHMJFL-UHFFFAOYSA-N 1 1 384.388 3.867 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000150801865 852406911 /nfs/dbraw/zinc/40/69/11/852406911.db2.gz MCKIIUXIODKGAQ-UONOGXRCSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000150801865 852406922 /nfs/dbraw/zinc/40/69/22/852406922.db2.gz MCKIIUXIODKGAQ-UONOGXRCSA-N 1 1 381.448 3.859 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489509256 852418287 /nfs/dbraw/zinc/41/82/87/852418287.db2.gz GJWABFPDHOYWKU-YJBOKZPZSA-N 1 1 398.463 3.636 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000150852545 852470363 /nfs/dbraw/zinc/47/03/63/852470363.db2.gz VJHGSHWFWRGUDI-UGSOOPFHSA-N 1 1 391.468 3.917 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437044545 852668362 /nfs/dbraw/zinc/66/83/62/852668362.db2.gz IHOIDWAADVLOFM-HNNXBMFYSA-N 1 1 385.386 3.608 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000489960174 852675541 /nfs/dbraw/zinc/67/55/41/852675541.db2.gz VGSGVFYCHRFREO-MRXNPFEDSA-N 1 1 379.526 3.899 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 ZINC000490004474 852699802 /nfs/dbraw/zinc/69/98/02/852699802.db2.gz IOUIUQVNDWWLEI-KRWDZBQOSA-N 1 1 385.464 3.731 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000507303419 852780644 /nfs/dbraw/zinc/78/06/44/852780644.db2.gz LILNVZJGXSDVSP-PBHICJAKSA-N 1 1 377.510 3.653 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000507303422 852780704 /nfs/dbraw/zinc/78/07/04/852780704.db2.gz LILNVZJGXSDVSP-YOEHRIQHSA-N 1 1 377.510 3.653 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490760560 853257781 /nfs/dbraw/zinc/25/77/81/853257781.db2.gz UJQPZPZNMHUQNG-RDJZCZTQSA-N 1 1 398.463 3.636 20 5 GHBDMO C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490806629 853282629 /nfs/dbraw/zinc/28/26/29/853282629.db2.gz PZVHVCPETCDJMV-DOTOQJQBSA-N 1 1 392.459 3.717 20 5 GHBDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000517058534 853312836 /nfs/dbraw/zinc/31/28/36/853312836.db2.gz JXIWETOYXNQHFS-VTOSUBLRSA-N 1 1 382.460 3.650 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000163594960 862488101 /nfs/dbraw/zinc/48/81/01/862488101.db2.gz ICLBUQJTWFPTAJ-UHFFFAOYSA-N 1 1 387.505 3.957 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000044552818 853673036 /nfs/dbraw/zinc/67/30/36/853673036.db2.gz ONEDDWQXBBJFQU-KRWDZBQOSA-N 1 1 381.476 3.828 20 5 GHBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729483630 853781599 /nfs/dbraw/zinc/78/15/99/853781599.db2.gz JHPDZNSCKVFCFH-MRXNPFEDSA-N 1 1 393.484 3.695 20 5 GHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000156526804 853840900 /nfs/dbraw/zinc/84/09/00/853840900.db2.gz IVAOWHOVWXZSSL-MLGOLLRUSA-N 1 1 378.860 3.729 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000588208920 854232261 /nfs/dbraw/zinc/23/22/61/854232261.db2.gz ADMUZRYXBKENDA-FUHWJXTLSA-N 1 1 388.489 3.864 20 5 GHBDMO CCN(C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458894488 854477314 /nfs/dbraw/zinc/47/73/14/854477314.db2.gz YQYYQHZQLTXMKK-UWJYYQICSA-N 1 1 396.491 3.962 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Cc1ccc(F)cc1 ZINC000481988737 862583542 /nfs/dbraw/zinc/58/35/42/862583542.db2.gz GIGVQBQHJRYVEA-UHFFFAOYSA-N 1 1 387.436 3.810 20 5 GHBDMO C[N@@H+](CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000466590625 862588966 /nfs/dbraw/zinc/58/89/66/862588966.db2.gz PJKWTSWSBRKPAZ-UHFFFAOYSA-N 1 1 382.892 3.702 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000589517507 854974976 /nfs/dbraw/zinc/97/49/76/854974976.db2.gz DHOROTXWKFGCHU-HNNXBMFYSA-N 1 1 386.370 3.936 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000589517507 854974981 /nfs/dbraw/zinc/97/49/81/854974981.db2.gz DHOROTXWKFGCHU-HNNXBMFYSA-N 1 1 386.370 3.936 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000130809351 855123719 /nfs/dbraw/zinc/12/37/19/855123719.db2.gz XEUCCOYOSBCLAZ-IEBWSBKVSA-N 1 1 396.491 3.518 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccc(Cl)cc1 ZINC000536370255 855155099 /nfs/dbraw/zinc/15/50/99/855155099.db2.gz KGHQVGYZAYIEGB-BEFAXECRSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccc(Cl)cc1 ZINC000536370255 855155102 /nfs/dbraw/zinc/15/51/02/855155102.db2.gz KGHQVGYZAYIEGB-BEFAXECRSA-N 1 1 398.850 3.905 20 5 GHBDMO Cc1ccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000589916326 855200905 /nfs/dbraw/zinc/20/09/05/855200905.db2.gz WQTYSQDVVUVLPK-UHFFFAOYSA-N 1 1 397.479 3.633 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301608864 855326902 /nfs/dbraw/zinc/32/69/02/855326902.db2.gz AGMOZDDFZAMWIQ-LPHOPBHVSA-N 1 1 396.491 3.808 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159447875 862676166 /nfs/dbraw/zinc/67/61/66/862676166.db2.gz ULOLUAHFINJMAY-QWRGUYRKSA-N 1 1 379.363 3.559 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590441069 855421213 /nfs/dbraw/zinc/42/12/13/855421213.db2.gz AGCUXWFAUKEDTM-WBVHZDCISA-N 1 1 377.510 3.509 20 5 GHBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)[C@@H]2C1 ZINC000590444261 855423509 /nfs/dbraw/zinc/42/35/09/855423509.db2.gz NJWYCCWIBMTEAV-RDTXWAMCSA-N 1 1 383.473 3.522 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000057586483 855523737 /nfs/dbraw/zinc/52/37/37/855523737.db2.gz MCWQDCJWNNBVHA-HDICACEKSA-N 1 1 395.503 3.932 20 5 GHBDMO COCCOc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000542774325 855738281 /nfs/dbraw/zinc/73/82/81/855738281.db2.gz AVEXYTHDGMNGCV-JOCHJYFZSA-N 1 1 393.443 3.894 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000427604986 855788397 /nfs/dbraw/zinc/78/83/97/855788397.db2.gz UYSSAVSJZFAIDJ-INIZCTEOSA-N 1 1 385.386 3.637 20 5 GHBDMO COCCC[NH+]1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000237207699 855845243 /nfs/dbraw/zinc/84/52/43/855845243.db2.gz DDELXUWBIHAUNT-UHFFFAOYSA-N 1 1 389.521 3.914 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000573423522 856118397 /nfs/dbraw/zinc/11/83/97/856118397.db2.gz FOLQGJIFLBGXJS-NMLACTOBSA-N 1 1 389.496 3.575 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000554846497 856238474 /nfs/dbraw/zinc/23/84/74/856238474.db2.gz YWQVIQKIXCSGDH-OAHLLOKOSA-N 1 1 385.386 3.978 20 5 GHBDMO O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000905543694 856377092 /nfs/dbraw/zinc/37/70/92/856377092.db2.gz CGJXLTQQYZJWRL-LJQANCHMSA-N 1 1 397.504 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000905543691 856377275 /nfs/dbraw/zinc/37/72/75/856377275.db2.gz CGJXLTQQYZJWRL-IBGZPJMESA-N 1 1 397.504 3.688 20 5 GHBDMO Cc1nc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cs1 ZINC000592133130 856678965 /nfs/dbraw/zinc/67/89/65/856678965.db2.gz SXWYEJHLJCUQFB-IYARVYRRSA-N 1 1 375.494 3.708 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C(=O)OC(C)(C)C ZINC000592135612 856697947 /nfs/dbraw/zinc/69/79/47/856697947.db2.gz OLBWHJHXKQZJLW-TZMCWYRMSA-N 1 1 375.425 3.536 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C(=O)OC(C)(C)C ZINC000592135612 856697951 /nfs/dbraw/zinc/69/79/51/856697951.db2.gz OLBWHJHXKQZJLW-TZMCWYRMSA-N 1 1 375.425 3.536 20 5 GHBDMO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000245419626 856830140 /nfs/dbraw/zinc/83/01/40/856830140.db2.gz BBGDCNTVMQFNJZ-CABCVRRESA-N 1 1 399.438 3.652 20 5 GHBDMO CCc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000173490925 856954831 /nfs/dbraw/zinc/95/48/31/856954831.db2.gz IYZHRKCWOLPTMM-SFHVURJKSA-N 1 1 381.476 3.751 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000508136749 856979270 /nfs/dbraw/zinc/97/92/70/856979270.db2.gz UXZHRCZQTZHPPU-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000508136749 856979282 /nfs/dbraw/zinc/97/92/82/856979282.db2.gz UXZHRCZQTZHPPU-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000173595696 857015777 /nfs/dbraw/zinc/01/57/77/857015777.db2.gz XNJYHHIENUSVPW-HNNXBMFYSA-N 1 1 387.505 3.957 20 5 GHBDMO CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592695298 857028111 /nfs/dbraw/zinc/02/81/11/857028111.db2.gz YJEMFDIKUBCDGK-GOSISDBHSA-N 1 1 385.439 3.859 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173804304 857158600 /nfs/dbraw/zinc/15/86/00/857158600.db2.gz RTPUCWXKKZMMJE-AWEZNQCLSA-N 1 1 388.493 3.522 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000485877708 857178993 /nfs/dbraw/zinc/17/89/93/857178993.db2.gz AEFUYBQZEYESMM-ZCNNSNEGSA-N 1 1 379.460 3.852 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000174148687 857216920 /nfs/dbraw/zinc/21/69/20/857216920.db2.gz DTFVQAOAGXJPJK-UWJYYQICSA-N 1 1 397.475 3.941 20 5 GHBDMO C[C@@H](NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174183525 857222371 /nfs/dbraw/zinc/22/23/71/857222371.db2.gz NFAIOPYLQPUXBA-UTKZUKDTSA-N 1 1 396.491 3.962 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccc(-n4cncn4)cc3)cs2)c1 ZINC000113335816 857433619 /nfs/dbraw/zinc/43/36/19/857433619.db2.gz JKHOWNPQADEPRS-UHFFFAOYSA-N 1 1 392.444 3.589 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000246804834 857467601 /nfs/dbraw/zinc/46/76/01/857467601.db2.gz RSSRONMSWMVVJA-SJLPKXTDSA-N 1 1 382.464 3.807 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000246804834 857467608 /nfs/dbraw/zinc/46/76/08/857467608.db2.gz RSSRONMSWMVVJA-SJLPKXTDSA-N 1 1 382.464 3.807 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001129152945 857704586 /nfs/dbraw/zinc/70/45/86/857704586.db2.gz VAESOBOWPQFLII-JXFKEZNVSA-N 1 1 377.460 3.513 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301805175 857833068 /nfs/dbraw/zinc/83/30/68/857833068.db2.gz XOLMKJTXAQUTPP-WFASDCNBSA-N 1 1 380.286 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCO)[C@H]3CCCc4ccccc43)n2)c1 ZINC000114192878 857935214 /nfs/dbraw/zinc/93/52/14/857935214.db2.gz BLMOYWVXVWSEKU-IBGZPJMESA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCO)[C@H]3CCCc4ccccc43)n2)c1 ZINC000114192878 857935222 /nfs/dbraw/zinc/93/52/22/857935222.db2.gz BLMOYWVXVWSEKU-IBGZPJMESA-N 1 1 394.431 3.517 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000521499374 858049801 /nfs/dbraw/zinc/04/98/01/858049801.db2.gz OUANKAMMRKOTGU-INIZCTEOSA-N 1 1 399.495 3.626 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000157988745 858067944 /nfs/dbraw/zinc/06/79/44/858067944.db2.gz HBNZCFUGGPSDRU-HOTGVXAUSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000157988745 858067951 /nfs/dbraw/zinc/06/79/51/858067951.db2.gz HBNZCFUGGPSDRU-HOTGVXAUSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1cc(C[N@@H+](C[C@@H](C)O)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594614782 858242543 /nfs/dbraw/zinc/24/25/43/858242543.db2.gz KGNSOYFPOIAMIL-OAHLLOKOSA-N 1 1 386.448 3.528 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000059374703 858341947 /nfs/dbraw/zinc/34/19/47/858341947.db2.gz GJZMRACBFVTDOG-UHFFFAOYSA-N 1 1 389.883 3.835 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCCN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000059374703 858341953 /nfs/dbraw/zinc/34/19/53/858341953.db2.gz GJZMRACBFVTDOG-UHFFFAOYSA-N 1 1 389.883 3.835 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCCN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000059374703 858341957 /nfs/dbraw/zinc/34/19/57/858341957.db2.gz GJZMRACBFVTDOG-UHFFFAOYSA-N 1 1 389.883 3.835 20 5 GHBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301866616 858373831 /nfs/dbraw/zinc/37/38/31/858373831.db2.gz NHBQQEAJFXAJBB-KRWDZBQOSA-N 1 1 389.459 3.935 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000439121710 858425661 /nfs/dbraw/zinc/42/56/61/858425661.db2.gz ZXKYDSPCSSVXNW-CQSZACIVSA-N 1 1 387.867 3.733 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000079317146 858483262 /nfs/dbraw/zinc/48/32/62/858483262.db2.gz GNNAINKIQVWLST-YJBOKZPZSA-N 1 1 399.472 3.781 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000079317146 858483268 /nfs/dbraw/zinc/48/32/68/858483268.db2.gz GNNAINKIQVWLST-YJBOKZPZSA-N 1 1 399.472 3.781 20 5 GHBDMO CC(C)n1cc(C2=CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000595516052 858549745 /nfs/dbraw/zinc/54/97/45/858549745.db2.gz PIBDMMDQZMAXFU-UHFFFAOYSA-N 1 1 385.468 3.716 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCc2ccc(F)cc21 ZINC000593117540 858660558 /nfs/dbraw/zinc/66/05/58/858660558.db2.gz ZKFBQGRXBMWVMV-CYBMUJFWSA-N 1 1 382.395 3.946 20 5 GHBDMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596130900 858788088 /nfs/dbraw/zinc/78/80/88/858788088.db2.gz GTUNZBDRAHLJQM-CQSZACIVSA-N 1 1 391.422 3.550 20 5 GHBDMO C[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596167117 858810901 /nfs/dbraw/zinc/81/09/01/858810901.db2.gz DHYZPVPIDZTTDH-LAUBAEHRSA-N 1 1 396.491 3.614 20 5 GHBDMO Cc1cc(N2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1[N+](=O)[O-] ZINC000856536126 881347847 /nfs/dbraw/zinc/34/78/47/881347847.db2.gz ONNWXQPNVLOBAL-FQEVSTJZSA-N 1 1 384.480 3.796 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000185006710 858836646 /nfs/dbraw/zinc/83/66/46/858836646.db2.gz GIVKRMSOMLPMBT-AWEZNQCLSA-N 1 1 388.493 3.637 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000185006710 858836655 /nfs/dbraw/zinc/83/66/55/858836655.db2.gz GIVKRMSOMLPMBT-AWEZNQCLSA-N 1 1 388.493 3.637 20 5 GHBDMO O=[N+]([O-])c1cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1C(F)(F)F ZINC000596424196 858893429 /nfs/dbraw/zinc/89/34/29/858893429.db2.gz RAMYYXPCAPPHSG-INIZCTEOSA-N 1 1 395.381 3.792 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(-c3ccccc3[N+](=O)[O-])n2)O1 ZINC000596613880 858968407 /nfs/dbraw/zinc/96/84/07/858968407.db2.gz NAVSWPTYTZODBL-RDTXWAMCSA-N 1 1 380.404 3.607 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(-c3ccccc3[N+](=O)[O-])n2)O1 ZINC000596613880 858968419 /nfs/dbraw/zinc/96/84/19/858968419.db2.gz NAVSWPTYTZODBL-RDTXWAMCSA-N 1 1 380.404 3.607 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(-c3ccc([N+](=O)[O-])s3)n2)O1 ZINC000596614521 858969792 /nfs/dbraw/zinc/96/97/92/858969792.db2.gz ZGACKKMRBDSPMU-TZMCWYRMSA-N 1 1 386.433 3.668 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(-c3ccc([N+](=O)[O-])s3)n2)O1 ZINC000596614521 858969799 /nfs/dbraw/zinc/96/97/99/858969799.db2.gz ZGACKKMRBDSPMU-TZMCWYRMSA-N 1 1 386.433 3.668 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614493 858969921 /nfs/dbraw/zinc/96/99/21/858969921.db2.gz RUEIERXCNGECKY-BEFAXECRSA-N 1 1 394.431 3.915 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614493 858969927 /nfs/dbraw/zinc/96/99/27/858969927.db2.gz RUEIERXCNGECKY-BEFAXECRSA-N 1 1 394.431 3.915 20 5 GHBDMO C/C(=C/c1ccccc1)C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000494272819 881367286 /nfs/dbraw/zinc/36/72/86/881367286.db2.gz BXHFQOAXEFNMAN-SSZFMOIBSA-N 1 1 381.432 3.928 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+](Cc2ccccc2)CC(OC)OC)c([N+](=O)[O-])c1 ZINC001170329900 881367480 /nfs/dbraw/zinc/36/74/80/881367480.db2.gz WLLQTXZVBIHCTE-MRXNPFEDSA-N 1 1 388.464 3.656 20 5 GHBDMO CCCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cc(C)on1 ZINC000185036227 859010142 /nfs/dbraw/zinc/01/01/42/859010142.db2.gz KHKDJTBLQHRBAI-HNNXBMFYSA-N 1 1 380.832 3.832 20 5 GHBDMO CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170334584 881377511 /nfs/dbraw/zinc/37/75/11/881377511.db2.gz HAQGWZPBAFBQMH-FOIQADDNSA-N 1 1 378.469 3.590 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596828785 859112732 /nfs/dbraw/zinc/11/27/32/859112732.db2.gz HMSDFIZVMZYLEU-GOSISDBHSA-N 1 1 388.512 3.922 20 5 GHBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC(C)(C)C1 ZINC000483122290 859152775 /nfs/dbraw/zinc/15/27/75/859152775.db2.gz NUZIVTMGNIGNKH-LBPRGKRZSA-N 1 1 384.274 3.806 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543642163 859172668 /nfs/dbraw/zinc/17/26/68/859172668.db2.gz RVGOKWGDXLALQH-HUUCEWRRSA-N 1 1 378.448 3.852 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 ZINC000068824375 859214539 /nfs/dbraw/zinc/21/45/39/859214539.db2.gz JKXVNVBTLXBSAI-MRXNPFEDSA-N 1 1 386.427 3.768 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000470216629 859276996 /nfs/dbraw/zinc/27/69/96/859276996.db2.gz UISJUDGGARZSPF-LFIBNONCSA-N 1 1 384.432 3.682 20 5 GHBDMO C[C@H](CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000474152133 859320851 /nfs/dbraw/zinc/32/08/51/859320851.db2.gz GWXRXNANXDMTTH-MRXNPFEDSA-N 1 1 396.491 3.810 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])cc1 ZINC000593324742 859409291 /nfs/dbraw/zinc/40/92/91/859409291.db2.gz ZHTPNEVMGQJVMA-GHTZIAJQSA-N 1 1 391.475 3.824 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000161056344 859523051 /nfs/dbraw/zinc/52/30/51/859523051.db2.gz VYLDDTFCCRDZDY-MRXNPFEDSA-N 1 1 391.493 3.969 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000611087587 859600168 /nfs/dbraw/zinc/60/01/68/859600168.db2.gz WBIMDIFAZZBJNP-UHFFFAOYSA-N 1 1 381.432 3.981 20 5 GHBDMO Cc1nn(C[N@H+]2CCCN(c3ccc(C)cc3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764909109 859663497 /nfs/dbraw/zinc/66/34/97/859663497.db2.gz HKPDLOAWHZQHMY-UHFFFAOYSA-N 1 1 379.464 3.731 20 5 GHBDMO COc1cc(CN2CCC[N@@H+](Cc3ccccc3C)CC2)c([N+](=O)[O-])cc1OC ZINC000611254043 859664778 /nfs/dbraw/zinc/66/47/78/859664778.db2.gz IUQIHAZZPLCQQN-UHFFFAOYSA-N 1 1 399.491 3.628 20 5 GHBDMO COc1ccc(C[N@H+]2CCCOC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611272428 859676102 /nfs/dbraw/zinc/67/61/02/859676102.db2.gz LUTNUTKKLFONLH-MRXNPFEDSA-N 1 1 386.448 3.793 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765078494 859778158 /nfs/dbraw/zinc/77/81/58/859778158.db2.gz KTOJFGYEZNZDCW-OAHLLOKOSA-N 1 1 388.468 3.654 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765078494 859778163 /nfs/dbraw/zinc/77/81/63/859778163.db2.gz KTOJFGYEZNZDCW-OAHLLOKOSA-N 1 1 388.468 3.654 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611554402 859802916 /nfs/dbraw/zinc/80/29/16/859802916.db2.gz OOBPEHOTPJHMEJ-NEPJUHHUSA-N 1 1 389.374 3.595 20 5 GHBDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000121159601 859806514 /nfs/dbraw/zinc/80/65/14/859806514.db2.gz YAKHTDGZCOVVOK-UHFFFAOYSA-N 1 1 379.416 3.846 20 5 GHBDMO COc1ccc(-c2ccc(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110820 859815932 /nfs/dbraw/zinc/81/59/32/859815932.db2.gz BSUKRCKDNFTAIQ-OAQYLSRUSA-N 1 1 385.464 3.781 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCCN(C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110820 859815938 /nfs/dbraw/zinc/81/59/38/859815938.db2.gz BSUKRCKDNFTAIQ-OAQYLSRUSA-N 1 1 385.464 3.781 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCCN(C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110820 859815942 /nfs/dbraw/zinc/81/59/42/859815942.db2.gz BSUKRCKDNFTAIQ-OAQYLSRUSA-N 1 1 385.464 3.781 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000025439621 860083057 /nfs/dbraw/zinc/08/30/57/860083057.db2.gz YJALFBYLLVKNBM-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000025439621 860083070 /nfs/dbraw/zinc/08/30/70/860083070.db2.gz YJALFBYLLVKNBM-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598195812 860123909 /nfs/dbraw/zinc/12/39/09/860123909.db2.gz TWNZQPAQXTYHCP-VQIMIIECSA-N 1 1 399.466 3.613 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000007267510 860231120 /nfs/dbraw/zinc/23/11/20/860231120.db2.gz OGAAYEVCVOWYDJ-ZDUSSCGKSA-N 1 1 377.828 3.586 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000007267510 860231132 /nfs/dbraw/zinc/23/11/32/860231132.db2.gz OGAAYEVCVOWYDJ-ZDUSSCGKSA-N 1 1 377.828 3.586 20 5 GHBDMO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H](C)CS(=O)(=O)CC ZINC000093413799 860267434 /nfs/dbraw/zinc/26/74/34/860267434.db2.gz YGZGCLNNKDZQCJ-AWEZNQCLSA-N 1 1 396.534 3.968 20 5 GHBDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H](C)CS(=O)(=O)CC ZINC000093413799 860267443 /nfs/dbraw/zinc/26/74/43/860267443.db2.gz YGZGCLNNKDZQCJ-AWEZNQCLSA-N 1 1 396.534 3.968 20 5 GHBDMO C[C@H]1CCCN(c2ccc(C(=O)N3CC[NH2+]Cc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000428900118 860273917 /nfs/dbraw/zinc/27/39/17/860273917.db2.gz YPIVAWZYKPEMAN-INIZCTEOSA-N 1 1 394.475 3.581 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000598396556 860279260 /nfs/dbraw/zinc/27/92/60/860279260.db2.gz NNHDTPZNFSJPTO-IBGZPJMESA-N 1 1 393.487 3.935 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598396266 860279489 /nfs/dbraw/zinc/27/94/89/860279489.db2.gz IRWSUBBJCZTMLY-LJQANCHMSA-N 1 1 393.487 3.935 20 5 GHBDMO C[C@@H](O)CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093481880 860282942 /nfs/dbraw/zinc/28/29/42/860282942.db2.gz HGIQNWXUCBJUCS-MRXNPFEDSA-N 1 1 380.448 3.650 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602852688 860314430 /nfs/dbraw/zinc/31/44/30/860314430.db2.gz GBNXWWMCTGBHBE-YOEHRIQHSA-N 1 1 379.420 3.980 20 5 GHBDMO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000429000961 860655918 /nfs/dbraw/zinc/65/59/18/860655918.db2.gz AORRXQQLAQVKAI-QFYYESIMSA-N 1 1 383.217 3.881 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000156103096 860682848 /nfs/dbraw/zinc/68/28/48/860682848.db2.gz JPSDBMYLAHWBJJ-OAQYLSRUSA-N 1 1 397.475 3.941 20 5 GHBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000603586142 860867318 /nfs/dbraw/zinc/86/73/18/860867318.db2.gz QXEDDHLIAZLFMS-AWEZNQCLSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000603586142 860867328 /nfs/dbraw/zinc/86/73/28/860867328.db2.gz QXEDDHLIAZLFMS-AWEZNQCLSA-N 1 1 385.247 3.773 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[NH+](CCCF)CC1 ZINC000600071470 860896002 /nfs/dbraw/zinc/89/60/02/860896002.db2.gz BYRMXHSTZOBAGQ-UHFFFAOYSA-N 1 1 387.411 3.505 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCCF)CC1 ZINC000600075388 860907536 /nfs/dbraw/zinc/90/75/36/860907536.db2.gz DDWKIUBEIKZLQM-UHFFFAOYSA-N 1 1 383.489 3.604 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)CC2)[nH+]c1C ZINC000899511652 860954240 /nfs/dbraw/zinc/95/42/40/860954240.db2.gz QPVBIMXDEJAFNT-UHFFFAOYSA-N 1 1 376.844 3.916 20 5 GHBDMO COc1ccc(-c2cc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)on2)cc1 ZINC000603682730 861034882 /nfs/dbraw/zinc/03/48/82/861034882.db2.gz QCVMHNHZOFSNTI-UHFFFAOYSA-N 1 1 394.431 3.581 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000603684487 861036099 /nfs/dbraw/zinc/03/60/99/861036099.db2.gz WDLSWAMEVPMDSB-INIZCTEOSA-N 1 1 387.505 3.620 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)s1 ZINC000603684487 861036118 /nfs/dbraw/zinc/03/61/18/861036118.db2.gz WDLSWAMEVPMDSB-INIZCTEOSA-N 1 1 387.505 3.620 20 5 GHBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444082214 863336474 /nfs/dbraw/zinc/33/64/74/863336474.db2.gz NGSLNMAZABKOAS-OAHLLOKOSA-N 1 1 395.478 3.767 20 5 GHBDMO COCCn1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 ZINC000281883870 863440318 /nfs/dbraw/zinc/44/03/18/863440318.db2.gz DKBYTLWWCDMTPU-UHFFFAOYSA-N 1 1 390.827 3.641 20 5 GHBDMO Cc1c(CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480055476 863948616 /nfs/dbraw/zinc/94/86/16/863948616.db2.gz CSMXDKPFRPYSOR-LJQANCHMSA-N 1 1 396.491 3.567 20 5 GHBDMO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237458667 864666970 /nfs/dbraw/zinc/66/69/70/864666970.db2.gz GGVGITNQTXTQEL-IAGOWNOFSA-N 1 1 399.539 3.841 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)nc1-c1ccncc1 ZINC000173403403 864715021 /nfs/dbraw/zinc/71/50/21/864715021.db2.gz WSDBTGQPASWBAS-INIZCTEOSA-N 1 1 395.488 3.925 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](CSc3ccccc3)C2)nc1-c1ccncc1 ZINC000173403403 864715025 /nfs/dbraw/zinc/71/50/25/864715025.db2.gz WSDBTGQPASWBAS-INIZCTEOSA-N 1 1 395.488 3.925 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000554849297 865037552 /nfs/dbraw/zinc/03/75/52/865037552.db2.gz XQRWKJCLIXNRCY-INIZCTEOSA-N 1 1 398.381 3.528 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)c([N+](=O)[O-])c1 ZINC000063619365 865064740 /nfs/dbraw/zinc/06/47/40/865064740.db2.gz QSCXFUVVFDRFOI-IBGZPJMESA-N 1 1 383.448 3.996 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)c([N+](=O)[O-])c1 ZINC000063619365 865064754 /nfs/dbraw/zinc/06/47/54/865064754.db2.gz QSCXFUVVFDRFOI-IBGZPJMESA-N 1 1 383.448 3.996 20 5 GHBDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128479576 865433996 /nfs/dbraw/zinc/43/39/96/865433996.db2.gz GKULUKXMFLWAOQ-IFXJQAMLSA-N 1 1 387.411 3.525 20 5 GHBDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128479576 865434004 /nfs/dbraw/zinc/43/40/04/865434004.db2.gz GKULUKXMFLWAOQ-IFXJQAMLSA-N 1 1 387.411 3.525 20 5 GHBDMO CC(C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000608909340 865809350 /nfs/dbraw/zinc/80/93/50/865809350.db2.gz UTPHXFPUICSSJF-UHFFFAOYSA-N 1 1 396.447 3.923 20 5 GHBDMO CC(C)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000608909340 865809359 /nfs/dbraw/zinc/80/93/59/865809359.db2.gz UTPHXFPUICSSJF-UHFFFAOYSA-N 1 1 396.447 3.923 20 5 GHBDMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594325789 865853215 /nfs/dbraw/zinc/85/32/15/865853215.db2.gz LDWVUQGNFSYOLN-LJQANCHMSA-N 1 1 379.460 3.608 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000740803645 866016082 /nfs/dbraw/zinc/01/60/82/866016082.db2.gz WADRIMQCZDENSV-AWEZNQCLSA-N 1 1 389.402 3.610 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740884330 866073408 /nfs/dbraw/zinc/07/34/08/866073408.db2.gz VKVIKYQSIYZNMW-DOMZBBRYSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740884330 866073413 /nfs/dbraw/zinc/07/34/13/866073413.db2.gz VKVIKYQSIYZNMW-DOMZBBRYSA-N 1 1 383.876 3.983 20 5 GHBDMO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475561444 866300231 /nfs/dbraw/zinc/30/02/31/866300231.db2.gz QMRCDYHHMWWFIW-NRFANRHFSA-N 1 1 396.491 3.520 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000475586088 866452812 /nfs/dbraw/zinc/45/28/12/866452812.db2.gz WUFSOBSBMQIJRY-QGZVFWFLSA-N 1 1 376.453 3.691 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456352613 866474453 /nfs/dbraw/zinc/47/44/53/866474453.db2.gz YITVVOXRVRYHCV-MRXNPFEDSA-N 1 1 393.443 3.935 20 5 GHBDMO CC(C)(CNc1ncnc2sc([N+](=O)[O-])cc21)[N@H+]1CCc2ccccc2C1 ZINC000552973052 866572855 /nfs/dbraw/zinc/57/28/55/866572855.db2.gz DYYDJIFXIGYANI-UHFFFAOYSA-N 1 1 383.477 3.848 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000534343994 866588503 /nfs/dbraw/zinc/58/85/03/866588503.db2.gz FJAVKTTUAYLCGX-KRWDZBQOSA-N 1 1 386.448 3.828 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000183356648 866641180 /nfs/dbraw/zinc/64/11/80/866641180.db2.gz MMIAQYHLRCAYGW-KRWDZBQOSA-N 1 1 387.411 3.524 20 5 GHBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000478793750 866643938 /nfs/dbraw/zinc/64/39/38/866643938.db2.gz JFAPDHCJICVFEH-VQIMIIECSA-N 1 1 382.464 3.538 20 5 GHBDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444666972 867037455 /nfs/dbraw/zinc/03/74/55/867037455.db2.gz UBKVCLUFCDVZML-MRXNPFEDSA-N 1 1 390.447 3.794 20 5 GHBDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444666972 867037465 /nfs/dbraw/zinc/03/74/65/867037465.db2.gz UBKVCLUFCDVZML-MRXNPFEDSA-N 1 1 390.447 3.794 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)nc1-c1ccncc1 ZINC000742147909 867081088 /nfs/dbraw/zinc/08/10/88/867081088.db2.gz PLQOVQFKLSWXTB-MRXNPFEDSA-N 1 1 383.839 3.954 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000479074092 867130984 /nfs/dbraw/zinc/13/09/84/867130984.db2.gz YWIWJKJATWZKAL-UHFFFAOYSA-N 1 1 393.447 3.754 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000479074092 867130998 /nfs/dbraw/zinc/13/09/98/867130998.db2.gz YWIWJKJATWZKAL-UHFFFAOYSA-N 1 1 393.447 3.754 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553478691 867486340 /nfs/dbraw/zinc/48/63/40/867486340.db2.gz NIQZAALNZYUGQY-CALCHBBNSA-N 1 1 390.528 3.535 20 5 GHBDMO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440605320 867509998 /nfs/dbraw/zinc/50/99/98/867509998.db2.gz ZOIZSHGUKWVFET-GFCCVEGCSA-N 1 1 394.522 3.730 20 5 GHBDMO CSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440605320 867510008 /nfs/dbraw/zinc/51/00/08/867510008.db2.gz ZOIZSHGUKWVFET-GFCCVEGCSA-N 1 1 394.522 3.730 20 5 GHBDMO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1COc2ccccc2O1 ZINC000534811410 867518586 /nfs/dbraw/zinc/51/85/86/867518586.db2.gz VLLPWJPGRASBOF-GOSISDBHSA-N 1 1 395.415 3.912 20 5 GHBDMO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1COc2ccccc2O1 ZINC000534811410 867518597 /nfs/dbraw/zinc/51/85/97/867518597.db2.gz VLLPWJPGRASBOF-GOSISDBHSA-N 1 1 395.415 3.912 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534863291 867664579 /nfs/dbraw/zinc/66/45/79/867664579.db2.gz HUPMCVPDXHFEDG-AWEZNQCLSA-N 1 1 394.435 3.677 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000523977926 868337376 /nfs/dbraw/zinc/33/73/76/868337376.db2.gz SBGRCHDPEGBYDR-AWEZNQCLSA-N 1 1 397.903 3.644 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000479704130 868384393 /nfs/dbraw/zinc/38/43/93/868384393.db2.gz WTCRGBMCBRAOHY-HNNXBMFYSA-N 1 1 393.447 3.958 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N[C@@H]3CC[N@H+](C4CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000524171135 868686902 /nfs/dbraw/zinc/68/69/02/868686902.db2.gz JOYFHEOVARCZOQ-QGZVFWFLSA-N 1 1 380.448 3.804 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000621109606 868724123 /nfs/dbraw/zinc/72/41/23/868724123.db2.gz ZRZBBYXYDXKFKJ-QGZVFWFLSA-N 1 1 389.499 3.533 20 5 GHBDMO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183983180 868860274 /nfs/dbraw/zinc/86/02/74/868860274.db2.gz RZLOCVRBAPLRAA-MAUKXSAKSA-N 1 1 385.439 3.618 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000524424121 869052228 /nfs/dbraw/zinc/05/22/28/869052228.db2.gz MEJZIAZHAHKWNM-SFHVURJKSA-N 1 1 391.265 3.973 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000524424121 869052236 /nfs/dbraw/zinc/05/22/36/869052236.db2.gz MEJZIAZHAHKWNM-SFHVURJKSA-N 1 1 391.265 3.973 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000539412396 869087340 /nfs/dbraw/zinc/08/73/40/869087340.db2.gz DHSHICIFUBJEOU-MRXNPFEDSA-N 1 1 396.491 3.897 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[N@H+]1C1CC1 ZINC000440922676 869244957 /nfs/dbraw/zinc/24/49/57/869244957.db2.gz CWACZUIPMIZALW-LSDHHAIUSA-N 1 1 381.432 3.742 20 5 GHBDMO Cc1nccnc1N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000443073204 869315310 /nfs/dbraw/zinc/31/53/10/869315310.db2.gz WCLUZESYRHLIBH-UHFFFAOYSA-N 1 1 395.488 3.744 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000462416915 869381207 /nfs/dbraw/zinc/38/12/07/869381207.db2.gz ULRPFEKLLWXEAB-FQEVSTJZSA-N 1 1 381.476 3.508 20 5 GHBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000539827833 869860897 /nfs/dbraw/zinc/86/08/97/869860897.db2.gz HHVWFLODCFVQGT-MONCILHSSA-N 1 1 385.851 3.999 20 5 GHBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000539827833 869860907 /nfs/dbraw/zinc/86/09/07/869860907.db2.gz HHVWFLODCFVQGT-MONCILHSSA-N 1 1 385.851 3.999 20 5 GHBDMO COc1ccc(CN2CC[N@@H+](C)CC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539839298 869901598 /nfs/dbraw/zinc/90/15/98/869901598.db2.gz QYVHTDJXPMVWFD-KRWDZBQOSA-N 1 1 399.491 3.708 20 5 GHBDMO COC(=O)c1cc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000462702791 869928667 /nfs/dbraw/zinc/92/86/67/869928667.db2.gz RHCAJWKBLGDJMK-AWEZNQCLSA-N 1 1 389.477 3.635 20 5 GHBDMO CNc1c(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462762240 870024296 /nfs/dbraw/zinc/02/42/96/870024296.db2.gz BQPSRMMCLQBPPX-WMZOPIPTSA-N 1 1 396.491 3.667 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cc2)c1C ZINC000462772240 870070781 /nfs/dbraw/zinc/07/07/81/870070781.db2.gz JCYJEDNKEUWNNK-UHFFFAOYSA-N 1 1 380.404 3.723 20 5 GHBDMO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000746137898 870071039 /nfs/dbraw/zinc/07/10/39/870071039.db2.gz HQDKFKATHBLAGR-UHFFFAOYSA-N 1 1 381.354 3.735 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000746137898 870071050 /nfs/dbraw/zinc/07/10/50/870071050.db2.gz HQDKFKATHBLAGR-UHFFFAOYSA-N 1 1 381.354 3.735 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441076558 870243203 /nfs/dbraw/zinc/24/32/03/870243203.db2.gz DXOVFOZDNNFZMG-KRWDZBQOSA-N 1 1 383.448 3.668 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441076558 870243222 /nfs/dbraw/zinc/24/32/22/870243222.db2.gz DXOVFOZDNNFZMG-KRWDZBQOSA-N 1 1 383.448 3.668 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)CC2 ZINC000446735096 870246785 /nfs/dbraw/zinc/24/67/85/870246785.db2.gz AUUAAXPBGLCDJH-INIZCTEOSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)CC2 ZINC000446735096 870246801 /nfs/dbraw/zinc/24/68/01/870246801.db2.gz AUUAAXPBGLCDJH-INIZCTEOSA-N 1 1 397.258 3.700 20 5 GHBDMO COc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000461473379 870261180 /nfs/dbraw/zinc/26/11/80/870261180.db2.gz RTRKEWYKSNNROR-SFHVURJKSA-N 1 1 397.475 3.636 20 5 GHBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538729013 870451479 /nfs/dbraw/zinc/45/14/79/870451479.db2.gz LCAHUVSJOVURLQ-QGZVFWFLSA-N 1 1 391.475 3.583 20 5 GHBDMO COc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OCC(C)C ZINC000446842993 870575968 /nfs/dbraw/zinc/57/59/68/870575968.db2.gz ZGKXEHBPIKXABT-UHFFFAOYSA-N 1 1 384.436 3.804 20 5 GHBDMO CNc1c(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000462997713 870619777 /nfs/dbraw/zinc/61/97/77/870619777.db2.gz XVDWDQAMWYWBJF-HNNXBMFYSA-N 1 1 398.463 3.609 20 5 GHBDMO COc1ccc(-c2ccc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797458 870627506 /nfs/dbraw/zinc/62/75/06/870627506.db2.gz ITPIEJBNJWEOPC-DNVCBOLYSA-N 1 1 385.464 3.780 20 5 GHBDMO Cc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461775425 870921982 /nfs/dbraw/zinc/92/19/82/870921982.db2.gz JEOXCHRTDLDFBR-ZDUSSCGKSA-N 1 1 387.402 3.612 20 5 GHBDMO CC(C)[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001169010012 871094394 /nfs/dbraw/zinc/09/43/94/871094394.db2.gz AGWKRHANCJTUKJ-KZNAEPCWSA-N 1 1 383.533 3.932 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000463216795 871213582 /nfs/dbraw/zinc/21/35/82/871213582.db2.gz YBRYNZNFYGGMOJ-QEEHTWDDSA-N 1 1 392.496 3.634 20 5 GHBDMO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001193898843 871384467 /nfs/dbraw/zinc/38/44/67/871384467.db2.gz QYLHKMJDLRRKLH-OAHLLOKOSA-N 1 1 398.246 3.817 20 5 GHBDMO C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000447352007 871460816 /nfs/dbraw/zinc/46/08/16/871460816.db2.gz VRXGICHNCPVAHC-LLVKDONJSA-N 1 1 399.357 3.705 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001169537856 871615390 /nfs/dbraw/zinc/61/53/90/871615390.db2.gz BYPHSTVFUIEOMT-CRAIPNDOSA-N 1 1 399.516 3.957 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000181982023 871686771 /nfs/dbraw/zinc/68/67/71/871686771.db2.gz CGMMBNIODZVVPJ-WDEREUQCSA-N 1 1 379.363 3.559 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000540588084 871687737 /nfs/dbraw/zinc/68/77/37/871687737.db2.gz VLPDGRNVCWOAPI-WMZOPIPTSA-N 1 1 397.475 3.776 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000462190727 871758047 /nfs/dbraw/zinc/75/80/47/871758047.db2.gz QLOLXYNCZSFUED-FOIQADDNSA-N 1 1 399.466 3.648 20 5 GHBDMO COc1ccc(C[N@H+]2CCC23CCOCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000618614634 871771284 /nfs/dbraw/zinc/77/12/84/871771284.db2.gz FHPDSXFZYXOBEY-UHFFFAOYSA-N 1 1 398.459 3.937 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462192345 871820942 /nfs/dbraw/zinc/82/09/42/871820942.db2.gz BLAOUEICJPJMHQ-GUXCAODWSA-N 1 1 399.516 3.712 20 5 GHBDMO Cc1ccccc1[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001169832512 871901901 /nfs/dbraw/zinc/90/19/01/871901901.db2.gz WDLKJMVBWOCBJV-MRXNPFEDSA-N 1 1 393.365 3.709 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763506212 872037139 /nfs/dbraw/zinc/03/71/39/872037139.db2.gz TVYQCTIWUBXYEW-FZKQIMNGSA-N 1 1 389.402 3.513 20 5 GHBDMO COc1cc2c(cc1F)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000540768838 872115720 /nfs/dbraw/zinc/11/57/20/872115720.db2.gz UAXOSGHXYCHRCC-UHFFFAOYSA-N 1 1 396.422 3.701 20 5 GHBDMO COc1cc2c(cc1F)C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000540768838 872115728 /nfs/dbraw/zinc/11/57/28/872115728.db2.gz UAXOSGHXYCHRCC-UHFFFAOYSA-N 1 1 396.422 3.701 20 5 GHBDMO CC(C)(C)C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001195064509 872144036 /nfs/dbraw/zinc/14/40/36/872144036.db2.gz HTFREJAZXWQVHO-OAHLLOKOSA-N 1 1 382.526 3.905 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000540785318 872170109 /nfs/dbraw/zinc/17/01/09/872170109.db2.gz AKHITRQAXORSMR-OAHLLOKOSA-N 1 1 379.526 3.947 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000552333489 872461744 /nfs/dbraw/zinc/46/17/44/872461744.db2.gz GXHVIXVMXGSWRB-LJQANCHMSA-N 1 1 377.448 3.524 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000541004981 872729844 /nfs/dbraw/zinc/72/98/44/872729844.db2.gz YFXLMVUEWDFZJJ-CALCHBBNSA-N 1 1 384.480 3.828 20 5 GHBDMO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000619569489 872747561 /nfs/dbraw/zinc/74/75/61/872747561.db2.gz SJWBZWGZCLOJGN-ZTFGCOKTSA-N 1 1 395.887 3.592 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000619569489 872747567 /nfs/dbraw/zinc/74/75/67/872747567.db2.gz SJWBZWGZCLOJGN-ZTFGCOKTSA-N 1 1 395.887 3.592 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000619638179 872821043 /nfs/dbraw/zinc/82/10/43/872821043.db2.gz FVDHLUUXSJLIEV-UHFFFAOYSA-N 1 1 399.451 3.619 20 5 GHBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182852606 872834930 /nfs/dbraw/zinc/83/49/30/872834930.db2.gz SJUKUTBVTNJGNH-CQSZACIVSA-N 1 1 384.358 3.526 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000460355207 872928301 /nfs/dbraw/zinc/92/83/01/872928301.db2.gz WLXZGWHGNFEUIF-OEWRPIJISA-N 1 1 383.492 3.720 20 5 GHBDMO CCC[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000183000733 873070234 /nfs/dbraw/zinc/07/02/34/873070234.db2.gz CHHRIEIGCYCGNB-LEWJYISDSA-N 1 1 396.491 3.998 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(CCCn4ccnc4)CC3)o2)cc1 ZINC000541200997 873125214 /nfs/dbraw/zinc/12/52/14/873125214.db2.gz GVNGYKZGGJGUDW-UHFFFAOYSA-N 1 1 396.451 3.534 20 5 GHBDMO CC1(C)C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000448373901 873287739 /nfs/dbraw/zinc/28/77/39/873287739.db2.gz REKRYFPGEGNRSM-FQEVSTJZSA-N 1 1 392.459 3.650 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC001197286863 873714178 /nfs/dbraw/zinc/71/41/78/873714178.db2.gz YEDYQDWGMDQHFZ-GOSISDBHSA-N 1 1 389.496 3.761 20 5 GHBDMO C[N@@H+](CCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Cc1ccc(F)cc1 ZINC000769131751 873831557 /nfs/dbraw/zinc/83/15/57/873831557.db2.gz DENCUQWJUBTVGF-UHFFFAOYSA-N 1 1 384.766 3.815 20 5 GHBDMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000769421426 874038110 /nfs/dbraw/zinc/03/81/10/874038110.db2.gz BSBKJWIVXCJFGI-ZKVFWIFDSA-N 1 1 375.469 3.843 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](Oc4ccc(C5CC5)cn4)C3)nc2c1 ZINC000858051595 882790451 /nfs/dbraw/zinc/79/04/51/882790451.db2.gz YZFRZLDUYDONAJ-MRXNPFEDSA-N 1 1 380.404 3.662 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](Oc4ccc(C5CC5)cn4)C3)nc2c1 ZINC000858051595 882790458 /nfs/dbraw/zinc/79/04/58/882790458.db2.gz YZFRZLDUYDONAJ-MRXNPFEDSA-N 1 1 380.404 3.662 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001197844611 874068543 /nfs/dbraw/zinc/06/85/43/874068543.db2.gz KKVUWKJHNAYESP-SJCJKPOMSA-N 1 1 399.369 3.557 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)c2)cc1 ZINC000769781283 874286030 /nfs/dbraw/zinc/28/60/30/874286030.db2.gz IYRYOPVPHXDHQN-OAQYLSRUSA-N 1 1 376.416 3.547 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)c2)cc1 ZINC000769781283 874286039 /nfs/dbraw/zinc/28/60/39/874286039.db2.gz IYRYOPVPHXDHQN-OAQYLSRUSA-N 1 1 376.416 3.547 20 5 GHBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000464734739 874370914 /nfs/dbraw/zinc/37/09/14/874370914.db2.gz RHNCPGUBNFIZQK-HBMCJLEFSA-N 1 1 390.528 3.756 20 5 GHBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769997444 874392253 /nfs/dbraw/zinc/39/22/53/874392253.db2.gz KDXRJTGMZVXBMU-MRXNPFEDSA-N 1 1 388.855 3.986 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000443660735 874764766 /nfs/dbraw/zinc/76/47/66/874764766.db2.gz RHTZEQSBALSWQD-MRXNPFEDSA-N 1 1 389.839 3.730 20 5 GHBDMO COc1cc(C[N@@H+](C)CC(C)(C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000449411883 874804232 /nfs/dbraw/zinc/80/42/32/874804232.db2.gz AQYORNALNMAGQX-UHFFFAOYSA-N 1 1 388.464 3.633 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CC1 ZINC000775982612 875009501 /nfs/dbraw/zinc/00/95/01/875009501.db2.gz DXKFAQXYKDCUPU-IBGZPJMESA-N 1 1 389.402 3.513 20 5 GHBDMO CCc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000746512707 875441002 /nfs/dbraw/zinc/44/10/02/875441002.db2.gz WFQUBLIUIRVTHG-UYAOXDASSA-N 1 1 379.460 3.914 20 5 GHBDMO Cc1c(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000491342620 875495746 /nfs/dbraw/zinc/49/57/46/875495746.db2.gz JXRVIIIBCKECBP-WMZOPIPTSA-N 1 1 382.464 3.935 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000450183821 876064098 /nfs/dbraw/zinc/06/40/98/876064098.db2.gz AMDXKMOLZCZKLS-ZDUSSCGKSA-N 1 1 387.402 3.711 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000776275299 876143931 /nfs/dbraw/zinc/14/39/31/876143931.db2.gz CRFIXCASYPYTGO-QAPCUYQASA-N 1 1 387.505 3.843 20 5 GHBDMO CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000785862684 876311937 /nfs/dbraw/zinc/31/19/37/876311937.db2.gz CAWWYECLRGYYDS-HNNXBMFYSA-N 1 1 385.468 3.580 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000786799549 876960064 /nfs/dbraw/zinc/96/00/64/876960064.db2.gz FUVKSJVABWYCES-KRWDZBQOSA-N 1 1 375.856 3.817 20 5 GHBDMO CCOC(=O)c1ccnc(NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000609960622 877217955 /nfs/dbraw/zinc/21/79/55/877217955.db2.gz DXHLGUKPCLJKAG-HNNXBMFYSA-N 1 1 392.843 3.535 20 5 GHBDMO O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000787224988 877277387 /nfs/dbraw/zinc/27/73/87/877277387.db2.gz DTQJNIGBAJZCCB-UHFFFAOYSA-N 1 1 392.293 3.609 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000787405977 877398947 /nfs/dbraw/zinc/39/89/47/877398947.db2.gz IHJHCPQIRUIMSL-LFIBNONCSA-N 1 1 386.883 3.864 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2CCn3c(Cl)ccc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000787652537 877533356 /nfs/dbraw/zinc/53/33/56/877533356.db2.gz NGEKMIUDSDUOIO-ZDUSSCGKSA-N 1 1 376.844 3.764 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCn3c(Cl)ccc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000787652537 877533369 /nfs/dbraw/zinc/53/33/69/877533369.db2.gz NGEKMIUDSDUOIO-ZDUSSCGKSA-N 1 1 376.844 3.764 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)o2)c1 ZINC000451347470 877797130 /nfs/dbraw/zinc/79/71/30/877797130.db2.gz UKYJYZWPYCNYOY-OTWHNJEPSA-N 1 1 385.464 3.808 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000451546369 878119424 /nfs/dbraw/zinc/11/94/24/878119424.db2.gz JDGQMQCIDSPGAZ-HZPDHXFCSA-N 1 1 399.413 3.575 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)nc1 ZINC000093534430 912322677 /nfs/dbraw/zinc/32/26/77/912322677.db2.gz PNHZJLHPQSKODG-OAHLLOKOSA-N 1 1 381.461 3.800 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)nc1 ZINC000093534430 912322693 /nfs/dbraw/zinc/32/26/93/912322693.db2.gz PNHZJLHPQSKODG-OAHLLOKOSA-N 1 1 381.461 3.800 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000776586216 878232333 /nfs/dbraw/zinc/23/23/33/878232333.db2.gz KTGRXOIUYSGXKI-YMPZKCBVSA-N 1 1 395.503 3.615 20 5 GHBDMO O=C(N1CCC[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000852473114 878349183 /nfs/dbraw/zinc/34/91/83/878349183.db2.gz JFUFMDIOJTTYKK-DOTOQJQBSA-N 1 1 399.413 3.750 20 5 GHBDMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc([N+](=O)[O-])c1C ZINC000616228448 878675142 /nfs/dbraw/zinc/67/51/42/878675142.db2.gz ZUWLUPDSIWHUAP-UHFFFAOYSA-N 1 1 397.475 3.568 20 5 GHBDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000789355740 878844183 /nfs/dbraw/zinc/84/41/83/878844183.db2.gz BHAUXJUDPYNQDC-HNNXBMFYSA-N 1 1 385.420 3.623 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180500619 878964781 /nfs/dbraw/zinc/96/47/81/878964781.db2.gz YBSDYQDITMHNAY-UHFFFAOYSA-N 1 1 381.354 3.781 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452169565 879074117 /nfs/dbraw/zinc/07/41/17/879074117.db2.gz GJVHGXYYTDDWKF-AWEZNQCLSA-N 1 1 377.510 3.653 20 5 GHBDMO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853519895 879079361 /nfs/dbraw/zinc/07/93/61/879079361.db2.gz UTPYJRTUQFFGFT-HXUWFJFHSA-N 1 1 381.411 3.614 20 5 GHBDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853519895 879079378 /nfs/dbraw/zinc/07/93/78/879079378.db2.gz UTPYJRTUQFFGFT-HXUWFJFHSA-N 1 1 381.411 3.614 20 5 GHBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000475675518 879275973 /nfs/dbraw/zinc/27/59/73/879275973.db2.gz SNBKWTMKVVWCJO-IBGZPJMESA-N 1 1 389.839 3.738 20 5 GHBDMO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-n2cccn2)cc1 ZINC000180819831 879374168 /nfs/dbraw/zinc/37/41/68/879374168.db2.gz DRIKTZKQZPSGBG-AWEZNQCLSA-N 1 1 390.403 3.681 20 5 GHBDMO CC(C)(CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@H+]1CCc2ccccc2C1 ZINC000531332897 879640589 /nfs/dbraw/zinc/64/05/89/879640589.db2.gz LNBJQQKQWMERSZ-UHFFFAOYSA-N 1 1 394.475 3.728 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1F ZINC000854237002 879651840 /nfs/dbraw/zinc/65/18/40/879651840.db2.gz QTNDSZVCDKBXRF-AWEZNQCLSA-N 1 1 393.390 3.731 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493937298 879748024 /nfs/dbraw/zinc/74/80/24/879748024.db2.gz OYZHCTKNQVFXJY-YJBOKZPZSA-N 1 1 395.793 3.588 20 5 GHBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@H](O)c4cccc([N+](=O)[O-])c4)C3)nc2c1 ZINC000181151143 879930493 /nfs/dbraw/zinc/93/04/93/879930493.db2.gz WCDRTPFZEHKPSJ-JXFKEZNVSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@H]3CCC[N@H+](C[C@H](O)c4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000181151143 879930496 /nfs/dbraw/zinc/93/04/96/879930496.db2.gz WCDRTPFZEHKPSJ-JXFKEZNVSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@H](O)c4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000181151143 879930502 /nfs/dbraw/zinc/93/05/02/879930502.db2.gz WCDRTPFZEHKPSJ-JXFKEZNVSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1c(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cccc1[N+](=O)[O-] ZINC000453254391 880685959 /nfs/dbraw/zinc/68/59/59/880685959.db2.gz KRKKHSDXRWFZKC-SFHVURJKSA-N 1 1 380.404 3.527 20 5 GHBDMO Cc1c(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cccc1[N+](=O)[O-] ZINC000453254391 880685966 /nfs/dbraw/zinc/68/59/66/880685966.db2.gz KRKKHSDXRWFZKC-SFHVURJKSA-N 1 1 380.404 3.527 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000791805939 880705138 /nfs/dbraw/zinc/70/51/38/880705138.db2.gz CQDDKFRNSHVGGO-HNNXBMFYSA-N 1 1 388.855 3.892 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000855734474 880706114 /nfs/dbraw/zinc/70/61/14/880706114.db2.gz DRXVVOKHJXHSPV-MRXNPFEDSA-N 1 1 387.867 3.637 20 5 GHBDMO CC[NH+](CC)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000791881882 880754617 /nfs/dbraw/zinc/75/46/17/880754617.db2.gz BLKOYZULWYRRTG-GOSISDBHSA-N 1 1 387.392 3.629 20 5 GHBDMO CCOc1ccc(C2=CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000509486224 880852831 /nfs/dbraw/zinc/85/28/31/880852831.db2.gz XCXXEWQTQWAWHE-HXUWFJFHSA-N 1 1 398.459 3.523 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000113924959 880980185 /nfs/dbraw/zinc/98/01/85/880980185.db2.gz UFAPHEXQIVUDTJ-CVEARBPZSA-N 1 1 386.496 3.570 20 5 GHBDMO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064481581 881140968 /nfs/dbraw/zinc/14/09/68/881140968.db2.gz NLVCEXVEGLCSLP-UHFFFAOYSA-N 1 1 387.867 3.639 20 5 GHBDMO CC(C)[N@H+](CC(=O)NCc1ccc(Cl)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350757 883162971 /nfs/dbraw/zinc/16/29/71/883162971.db2.gz BSJCNTWAHCDGGD-UHFFFAOYSA-N 1 1 381.885 3.837 20 5 GHBDMO CC(C)[N@@H+](CC(=O)NCc1ccc(Cl)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350757 883162979 /nfs/dbraw/zinc/16/29/79/883162979.db2.gz BSJCNTWAHCDGGD-UHFFFAOYSA-N 1 1 381.885 3.837 20 5 GHBDMO CC(C)[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350606 883163066 /nfs/dbraw/zinc/16/30/66/883163066.db2.gz HKXOJJFBWZDJPD-UHFFFAOYSA-N 1 1 381.476 3.996 20 5 GHBDMO CC(C)[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350606 883163081 /nfs/dbraw/zinc/16/30/81/883163081.db2.gz HKXOJJFBWZDJPD-UHFFFAOYSA-N 1 1 381.476 3.996 20 5 GHBDMO CC(C)[N@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350555 883163449 /nfs/dbraw/zinc/16/34/49/883163449.db2.gz PMLFCCALTSOLTQ-UHFFFAOYSA-N 1 1 375.856 3.775 20 5 GHBDMO CC(C)[N@@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350555 883163457 /nfs/dbraw/zinc/16/34/57/883163457.db2.gz PMLFCCALTSOLTQ-UHFFFAOYSA-N 1 1 375.856 3.775 20 5 GHBDMO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000609464825 883225229 /nfs/dbraw/zinc/22/52/29/883225229.db2.gz VNEFGASWGIFEMF-IBGZPJMESA-N 1 1 377.460 3.737 20 5 GHBDMO Cc1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)cc1[N+](=O)[O-] ZINC000551090464 883272205 /nfs/dbraw/zinc/27/22/05/883272205.db2.gz DUHSSIXCEPBKTK-FQEVSTJZSA-N 1 1 396.491 3.682 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1)[NH+]1CCOCC1 ZINC000609519004 883291496 /nfs/dbraw/zinc/29/14/96/883291496.db2.gz ZJGHVWSDXDBJDE-CQSZACIVSA-N 1 1 394.431 3.722 20 5 GHBDMO CC(C)(CCc1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)n1)[N+](=O)[O-] ZINC000858773553 883346954 /nfs/dbraw/zinc/34/69/54/883346954.db2.gz JDMKWWNLWRBPFZ-ZWKOTPCHSA-N 1 1 384.480 3.683 20 5 GHBDMO CC(=O)c1ccc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000804812430 883373677 /nfs/dbraw/zinc/37/36/77/883373677.db2.gz NZYWPRAGMXOAMH-QFIPXVFZSA-N 1 1 379.460 3.900 20 5 GHBDMO CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H](C)c1cccc(OC)c1 ZINC000609766451 883655922 /nfs/dbraw/zinc/65/59/22/883655922.db2.gz PHCPIIXISRQGPG-HNNXBMFYSA-N 1 1 399.447 3.985 20 5 GHBDMO CC(C)(CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000175389140 883707640 /nfs/dbraw/zinc/70/76/40/883707640.db2.gz WDKREDPBDNABKV-UHFFFAOYSA-N 1 1 387.867 3.815 20 5 GHBDMO CN(c1ncnc2cccc([N+](=O)[O-])c21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000542505978 883783490 /nfs/dbraw/zinc/78/34/90/883783490.db2.gz FOMDFSYAEPQPDB-KRWDZBQOSA-N 1 1 377.448 3.639 20 5 GHBDMO CC(C)(CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000914527612 884038302 /nfs/dbraw/zinc/03/83/02/884038302.db2.gz PUXTUAWVGDUZDE-UHFFFAOYSA-N 1 1 387.867 3.815 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000476319422 884417875 /nfs/dbraw/zinc/41/78/75/884417875.db2.gz BQCVZVFHLLQISL-KRWDZBQOSA-N 1 1 394.431 3.861 20 5 GHBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC000914776299 884763599 /nfs/dbraw/zinc/76/35/99/884763599.db2.gz URMSQGNBMGLKIN-HZPDHXFCSA-N 1 1 384.432 3.561 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000919195412 885072291 /nfs/dbraw/zinc/07/22/91/885072291.db2.gz GTYNTGPRXQGADQ-GFCCVEGCSA-N 1 1 390.358 3.567 20 5 GHBDMO CCOC(=O)c1csc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000191573081 885399320 /nfs/dbraw/zinc/39/93/20/885399320.db2.gz IOOISBVXTHKFED-UHFFFAOYSA-N 1 1 375.450 3.608 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000537561790 885419745 /nfs/dbraw/zinc/41/97/45/885419745.db2.gz OCYWVMBCCVJODF-MRXNPFEDSA-N 1 1 393.447 3.768 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001127483888 885484394 /nfs/dbraw/zinc/48/43/94/885484394.db2.gz GCJQAXSOSWUELA-FQEVSTJZSA-N 1 1 397.475 3.583 20 5 GHBDMO COC1CC[NH+](C2(CN[C@H](C)c3cc([N+](=O)[O-])ccc3C)CCCC2)CC1 ZINC000532515521 885911093 /nfs/dbraw/zinc/91/10/93/885911093.db2.gz TWKHRWIUFHLMOC-QGZVFWFLSA-N 1 1 375.513 3.977 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000532573180 886143811 /nfs/dbraw/zinc/14/38/11/886143811.db2.gz DLTFPZMTNYOHIP-DZGCQCFKSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000532573180 886143827 /nfs/dbraw/zinc/14/38/27/886143827.db2.gz DLTFPZMTNYOHIP-DZGCQCFKSA-N 1 1 387.411 3.559 20 5 GHBDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000747468439 886157747 /nfs/dbraw/zinc/15/77/47/886157747.db2.gz RJIVGEXSJDGVCC-WMZOPIPTSA-N 1 1 377.448 3.764 20 5 GHBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000747469307 886157889 /nfs/dbraw/zinc/15/78/89/886157889.db2.gz ZIXXLTYHVHDDRH-VQIMIIECSA-N 1 1 377.448 3.764 20 5 GHBDMO O=C1CN(C[N@@H+]2CCCC[C@@H]2c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000762469625 886250476 /nfs/dbraw/zinc/25/04/76/886250476.db2.gz ZBCCFBRJJYNNIS-LJQANCHMSA-N 1 1 394.431 3.548 20 5 GHBDMO O=C1CN(C[N@H+]2CCCC[C@@H]2c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000762469625 886250497 /nfs/dbraw/zinc/25/04/97/886250497.db2.gz ZBCCFBRJJYNNIS-LJQANCHMSA-N 1 1 394.431 3.548 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000556870911 886428208 /nfs/dbraw/zinc/42/82/08/886428208.db2.gz JPOIBMHFNSHOPA-NRFANRHFSA-N 1 1 387.443 3.798 20 5 GHBDMO CC[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000032446307 886545213 /nfs/dbraw/zinc/54/52/13/886545213.db2.gz YRFQPMUVUJRGAR-SFHVURJKSA-N 1 1 399.516 3.883 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747532801 886889728 /nfs/dbraw/zinc/88/97/28/886889728.db2.gz CDOMDALZGHINMI-UHFFFAOYSA-N 1 1 381.473 3.586 20 5 GHBDMO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000863301568 887015018 /nfs/dbraw/zinc/01/50/18/887015018.db2.gz FPHCVQVPOTXOFR-CZUORRHYSA-N 1 1 388.468 3.510 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000863301568 887015030 /nfs/dbraw/zinc/01/50/30/887015030.db2.gz FPHCVQVPOTXOFR-CZUORRHYSA-N 1 1 388.468 3.510 20 5 GHBDMO C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272333762 887106231 /nfs/dbraw/zinc/10/62/31/887106231.db2.gz XAZNQGZBIUCVRJ-HIFRSBDPSA-N 1 1 389.402 3.513 20 5 GHBDMO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000532660161 887229820 /nfs/dbraw/zinc/22/98/20/887229820.db2.gz UNUGOUMIYRGPAF-UHFFFAOYSA-N 1 1 382.420 3.533 20 5 GHBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000532660161 887229835 /nfs/dbraw/zinc/22/98/35/887229835.db2.gz UNUGOUMIYRGPAF-UHFFFAOYSA-N 1 1 382.420 3.533 20 5 GHBDMO COc1cc[nH+]c(N2CCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)c1 ZINC000809943111 887996124 /nfs/dbraw/zinc/99/61/24/887996124.db2.gz VSKUMFNQYCOHHR-UHFFFAOYSA-N 1 1 397.262 3.627 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000809918187 888000139 /nfs/dbraw/zinc/00/01/39/888000139.db2.gz FWQSSRGEEVBNHW-UHFFFAOYSA-N 1 1 388.855 3.988 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](COc4ccccc4)C3)o2)cc1 ZINC000272596612 888003017 /nfs/dbraw/zinc/00/30/17/888003017.db2.gz QHJWRWYZDZANQV-OAHLLOKOSA-N 1 1 380.404 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](COc4ccccc4)C3)o2)cc1 ZINC000272596612 888003023 /nfs/dbraw/zinc/00/30/23/888003023.db2.gz QHJWRWYZDZANQV-OAHLLOKOSA-N 1 1 380.404 3.546 20 5 GHBDMO COc1c(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001132118645 888222759 /nfs/dbraw/zinc/22/27/59/888222759.db2.gz VCEZNFSFPYURPO-GOSISDBHSA-N 1 1 397.475 3.778 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000865988789 888680650 /nfs/dbraw/zinc/68/06/50/888680650.db2.gz FYBXQHRECKAHAN-APWZRJJASA-N 1 1 399.466 3.788 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)cn1 ZINC000536638583 888702250 /nfs/dbraw/zinc/70/22/50/888702250.db2.gz RMZQHOKIJDZNSN-UHFFFAOYSA-N 1 1 382.464 3.633 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NCc3cccc(C[NH+]4CCOCC4)c3)ccc2c1 ZINC000301139862 888831411 /nfs/dbraw/zinc/83/14/11/888831411.db2.gz HBFVVVXEGAHQHB-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000916402122 888966588 /nfs/dbraw/zinc/96/65/88/888966588.db2.gz POZROWCUSUGQGD-HZPDHXFCSA-N 1 1 384.432 3.732 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccnc1-n1cccn1 ZINC000811473880 889658939 /nfs/dbraw/zinc/65/89/39/889658939.db2.gz PJXBSEBTQDHIDB-UHFFFAOYSA-N 1 1 378.219 3.772 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccnc(-n2cccn2)c1 ZINC000811473764 889660639 /nfs/dbraw/zinc/66/06/39/889660639.db2.gz LGFVPROYAPDLAB-UHFFFAOYSA-N 1 1 378.219 3.772 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000796146172 913370412 /nfs/dbraw/zinc/37/04/12/913370412.db2.gz PFMODNKQFJCMHQ-LBPRGKRZSA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000796146172 913370428 /nfs/dbraw/zinc/37/04/28/913370428.db2.gz PFMODNKQFJCMHQ-LBPRGKRZSA-N 1 1 393.793 3.529 20 5 GHBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)nc1 ZINC000122411249 889759371 /nfs/dbraw/zinc/75/93/71/889759371.db2.gz STINKVMIBZDIAE-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO CC[C@@H](C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000533381150 890388675 /nfs/dbraw/zinc/38/86/75/890388675.db2.gz XBDBZKMSFJDWSQ-OAHLLOKOSA-N 1 1 396.447 3.923 20 5 GHBDMO CC[C@@H](C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000533381150 890388690 /nfs/dbraw/zinc/38/86/90/890388690.db2.gz XBDBZKMSFJDWSQ-OAHLLOKOSA-N 1 1 396.447 3.923 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(N[C@@H](C[NH+]3CCOCC3)c3ccccc3)ccc2c1 ZINC000301190906 890789419 /nfs/dbraw/zinc/78/94/19/890789419.db2.gz LQLVETYYIRODQT-FQEVSTJZSA-N 1 1 378.432 3.628 20 5 GHBDMO COC(=O)/C=C/c1ccc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000795179788 890925781 /nfs/dbraw/zinc/92/57/81/890925781.db2.gz NLYUBJILPUPLJH-LHUXKHBRSA-N 1 1 395.459 3.715 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000872076636 891142871 /nfs/dbraw/zinc/14/28/71/891142871.db2.gz OSMQNYOUMRHHPS-GFCCVEGCSA-N 1 1 380.491 3.571 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000747839347 891303572 /nfs/dbraw/zinc/30/35/72/891303572.db2.gz DXNGQGZICYMUNF-UHFFFAOYSA-N 1 1 393.484 3.825 20 5 GHBDMO COc1ccccc1/C(C)=C/C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171160 891330894 /nfs/dbraw/zinc/33/08/94/891330894.db2.gz FCPVQDINTPSZSX-BAILOTOSSA-N 1 1 396.443 3.824 20 5 GHBDMO COc1ccccc1/C(C)=C/C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171160 891330914 /nfs/dbraw/zinc/33/09/14/891330914.db2.gz FCPVQDINTPSZSX-BAILOTOSSA-N 1 1 396.443 3.824 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(C(F)(F)F)s2)c([N+](=O)[O-])cc1OC ZINC000873156315 891488501 /nfs/dbraw/zinc/48/85/01/891488501.db2.gz UMJNLKJBTRHDRM-UHFFFAOYSA-N 1 1 376.356 3.982 20 5 GHBDMO Cc1ccccc1OCCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000917206414 891573222 /nfs/dbraw/zinc/57/32/22/891573222.db2.gz YUJBGGZGDNMIQN-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO Cc1ccccc1OCCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000917206414 891573230 /nfs/dbraw/zinc/57/32/30/891573230.db2.gz YUJBGGZGDNMIQN-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000067679373 891653394 /nfs/dbraw/zinc/65/33/94/891653394.db2.gz GUJPGUCJQJYWBF-OAHLLOKOSA-N 1 1 387.505 3.844 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+](C)CCc2cnccn2)cc1[N+](=O)[O-] ZINC000508675437 891956875 /nfs/dbraw/zinc/95/68/75/891956875.db2.gz GILCXVWOXJZBJU-UHFFFAOYSA-N 1 1 377.448 3.827 20 5 GHBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC001133923355 891983527 /nfs/dbraw/zinc/98/35/27/891983527.db2.gz IWMWANHDSYZOAI-AWEZNQCLSA-N 1 1 391.880 3.833 20 5 GHBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC001133923355 891983539 /nfs/dbraw/zinc/98/35/39/891983539.db2.gz IWMWANHDSYZOAI-AWEZNQCLSA-N 1 1 391.880 3.833 20 5 GHBDMO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000476002132 892012420 /nfs/dbraw/zinc/01/24/20/892012420.db2.gz VIPDTVIOUPGCDS-OAHLLOKOSA-N 1 1 383.448 3.605 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000476002132 892012430 /nfs/dbraw/zinc/01/24/30/892012430.db2.gz VIPDTVIOUPGCDS-OAHLLOKOSA-N 1 1 383.448 3.605 20 5 GHBDMO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001170719982 892184126 /nfs/dbraw/zinc/18/41/26/892184126.db2.gz KCWSHISMJCOIST-WGSAOQKQSA-N 1 1 397.523 3.827 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000814175772 892331521 /nfs/dbraw/zinc/33/15/21/892331521.db2.gz JSJUXAQOVBCLGL-SJLPKXTDSA-N 1 1 375.469 3.735 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000774834210 913662582 /nfs/dbraw/zinc/66/25/82/913662582.db2.gz CDQMDOZLRAYBQY-UHFFFAOYSA-N 1 1 379.376 3.669 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000774834210 913662585 /nfs/dbraw/zinc/66/25/85/913662585.db2.gz CDQMDOZLRAYBQY-UHFFFAOYSA-N 1 1 379.376 3.669 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000815060565 893400815 /nfs/dbraw/zinc/40/08/15/893400815.db2.gz VUVUFMBYJCBRDW-INIZCTEOSA-N 1 1 388.386 3.774 20 5 GHBDMO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498154671 893425953 /nfs/dbraw/zinc/42/59/53/893425953.db2.gz YLLXXOYNDDVAQA-OXJNMPFZSA-N 1 1 389.521 3.823 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000815084661 893431672 /nfs/dbraw/zinc/43/16/72/893431672.db2.gz VTVHKFMUYCRRLK-QGZVFWFLSA-N 1 1 384.329 3.846 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000815084661 893431675 /nfs/dbraw/zinc/43/16/75/893431675.db2.gz VTVHKFMUYCRRLK-QGZVFWFLSA-N 1 1 384.329 3.846 20 5 GHBDMO Cc1ccc([C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)o1 ZINC000778254551 893745593 /nfs/dbraw/zinc/74/55/93/893745593.db2.gz NSJPRXSIVDMPGH-INIZCTEOSA-N 1 1 393.390 3.541 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)[nH]n1 ZINC000877784510 893812575 /nfs/dbraw/zinc/81/25/75/893812575.db2.gz RKXSTQAGWBIOKG-CQSZACIVSA-N 1 1 386.452 3.687 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n[nH]1 ZINC000877784510 893812594 /nfs/dbraw/zinc/81/25/94/893812594.db2.gz RKXSTQAGWBIOKG-CQSZACIVSA-N 1 1 386.452 3.687 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n[nH]1 ZINC000877784510 893812613 /nfs/dbraw/zinc/81/26/13/893812613.db2.gz RKXSTQAGWBIOKG-CQSZACIVSA-N 1 1 386.452 3.687 20 5 GHBDMO COc1ccccc1[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609280849 893875422 /nfs/dbraw/zinc/87/54/22/893875422.db2.gz QSLKNLZCUIIOJW-FXAWDEMLSA-N 1 1 386.448 3.570 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459658015 893999585 /nfs/dbraw/zinc/99/95/85/893999585.db2.gz IOMPZSJXEVKDRT-MRXNPFEDSA-N 1 1 388.386 3.655 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778278292 894000869 /nfs/dbraw/zinc/00/08/69/894000869.db2.gz XAFSASAQTKQRSH-JKSUJKDBSA-N 1 1 395.450 3.800 20 5 GHBDMO C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563389 894001306 /nfs/dbraw/zinc/00/13/06/894001306.db2.gz ALRGKCVNYDJBPB-AWEZNQCLSA-N 1 1 377.448 3.702 20 5 GHBDMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000537023850 894229463 /nfs/dbraw/zinc/22/94/63/894229463.db2.gz PGJJUCNKGHDXFL-CQSZACIVSA-N 1 1 387.436 3.680 20 5 GHBDMO C[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000564005858 894443249 /nfs/dbraw/zinc/44/32/49/894443249.db2.gz QYGDENZRRYAPOZ-SJORKVTESA-N 1 1 399.466 3.960 20 5 GHBDMO CO[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1(C)C ZINC000878679130 894507233 /nfs/dbraw/zinc/50/72/33/894507233.db2.gz TYGVXPKMVNKBQL-AWEZNQCLSA-N 1 1 380.832 3.545 20 5 GHBDMO CO[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1(C)C ZINC000878679130 894507241 /nfs/dbraw/zinc/50/72/41/894507241.db2.gz TYGVXPKMVNKBQL-AWEZNQCLSA-N 1 1 380.832 3.545 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cc1 ZINC000774883967 913886950 /nfs/dbraw/zinc/88/69/50/913886950.db2.gz FVZYNXUVIPRDEB-MRXNPFEDSA-N 1 1 385.420 3.966 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000816453777 894814863 /nfs/dbraw/zinc/81/48/63/894814863.db2.gz UPTRROIJUSRFSZ-UWJYYQICSA-N 1 1 382.460 3.981 20 5 GHBDMO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000816635348 895014898 /nfs/dbraw/zinc/01/48/98/895014898.db2.gz LOBJIOHNCJQOLO-QGZVFWFLSA-N 1 1 378.425 3.656 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H](CC(F)(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000817281777 895433381 /nfs/dbraw/zinc/43/33/81/895433381.db2.gz PAHJHUMFEXBNSJ-LLVKDONJSA-N 1 1 377.338 3.727 20 5 GHBDMO COc1ccccc1C1(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000565413486 895609219 /nfs/dbraw/zinc/60/92/19/895609219.db2.gz YETCKHRHYNRLGS-HXUWFJFHSA-N 1 1 392.459 3.748 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](c3nccs3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000880314469 895631185 /nfs/dbraw/zinc/63/11/85/895631185.db2.gz ALYKJIXCUVHRSB-SNVBAGLBSA-N 1 1 385.392 3.651 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC[C@H](C4CCOCC4)C3)o2)cc1 ZINC000880575200 895754208 /nfs/dbraw/zinc/75/42/08/895754208.db2.gz VHAFBSARRZERSU-KRWDZBQOSA-N 1 1 386.452 3.674 20 5 GHBDMO Cc1c(Cn2cc(C[NH2+][C@H]3CCCc4ccccc43)nn2)cccc1[N+](=O)[O-] ZINC000881195479 896233645 /nfs/dbraw/zinc/23/36/45/896233645.db2.gz KSWSVFTTXZJIEN-FQEVSTJZSA-N 1 1 377.448 3.710 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(Cn2cc(C[NH2+][C@@H]3CCCc4ccccc43)nn2)c(F)c1 ZINC000881354179 896305347 /nfs/dbraw/zinc/30/53/47/896305347.db2.gz WEINDIZIXHENHS-HXUWFJFHSA-N 1 1 399.401 3.680 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000130113147 896982435 /nfs/dbraw/zinc/98/24/35/896982435.db2.gz OUFOVTZZGUMQTP-UHFFFAOYSA-N 1 1 398.419 3.805 20 5 GHBDMO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000567915311 897486013 /nfs/dbraw/zinc/48/60/13/897486013.db2.gz NMCVTCYITUZUIP-MGPUTAFESA-N 1 1 398.482 3.824 20 5 GHBDMO C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001185949394 914188284 /nfs/dbraw/zinc/18/82/84/914188284.db2.gz PUEAGTBLPGNMBD-GXTWGEPZSA-N 1 1 397.401 3.670 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N(C)[C@H]3CC[N@H+](C)C[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000466826049 914229840 /nfs/dbraw/zinc/22/98/40/914229840.db2.gz ZRAKCJJAIKSAGM-APWZRJJASA-N 1 1 396.491 3.932 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000822516747 898448888 /nfs/dbraw/zinc/44/88/88/898448888.db2.gz PJDGHSXVKCHLOC-IBGZPJMESA-N 1 1 396.390 3.544 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000113934605 899044839 /nfs/dbraw/zinc/04/48/39/899044839.db2.gz PMMVWZOITPNPKW-DLBZAZTESA-N 1 1 399.495 3.731 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570053326 899093835 /nfs/dbraw/zinc/09/38/35/899093835.db2.gz FCRRPDOAIPLUHR-NSHDSACASA-N 1 1 397.216 3.787 20 5 GHBDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570053326 899093847 /nfs/dbraw/zinc/09/38/47/899093847.db2.gz FCRRPDOAIPLUHR-NSHDSACASA-N 1 1 397.216 3.787 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccc(O)cc1C ZINC001186192346 914351269 /nfs/dbraw/zinc/35/12/69/914351269.db2.gz RKSJHMNSASMPBZ-UHFFFAOYSA-N 1 1 387.439 3.957 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)nc2c1 ZINC000134807313 900124502 /nfs/dbraw/zinc/12/45/02/900124502.db2.gz JOBOSUZEOBKGIW-YJBOKZPZSA-N 1 1 385.395 3.963 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H](O)C[C@H]3c3ccc(F)cc3)o2)c1 ZINC000572383910 900164718 /nfs/dbraw/zinc/16/47/18/900164718.db2.gz SDCIRUSSMRQDNM-OALUTQOASA-N 1 1 397.406 3.739 20 5 GHBDMO Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000067068851 901037896 /nfs/dbraw/zinc/03/78/96/901037896.db2.gz NOZALUXDYJLVCW-UHFFFAOYSA-N 1 1 396.447 3.580 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c2ccccc2)c1 ZINC000826499401 901301360 /nfs/dbraw/zinc/30/13/60/901301360.db2.gz HOMKKSGEDIQZTD-FQEVSTJZSA-N 1 1 386.415 3.654 20 5 GHBDMO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000576247162 901865176 /nfs/dbraw/zinc/86/51/76/901865176.db2.gz ZTSBSSXUHQJFIY-UHFFFAOYSA-N 1 1 389.499 3.629 20 5 GHBDMO C[N@H+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC12CCCCC2 ZINC001186499754 914583436 /nfs/dbraw/zinc/58/34/36/914583436.db2.gz OZGBDWAFPZBHNA-UHFFFAOYSA-N 1 1 375.860 3.646 20 5 GHBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC001171179786 902101238 /nfs/dbraw/zinc/10/12/38/902101238.db2.gz OPWFURQSPLEYKL-KRWDZBQOSA-N 1 1 379.254 3.831 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000130353060 902944571 /nfs/dbraw/zinc/94/45/71/902944571.db2.gz DSCRFKWBNMUISP-KRWDZBQOSA-N 1 1 387.505 3.617 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000577814983 903227746 /nfs/dbraw/zinc/22/77/46/903227746.db2.gz KASXOZQCESHEIY-JTQLQIEISA-N 1 1 382.333 3.786 20 5 GHBDMO C[C@H]1CCCN(C(=O)C2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC000601103990 903334383 /nfs/dbraw/zinc/33/43/83/903334383.db2.gz MPZGPBDTHOLZEC-HNNXBMFYSA-N 1 1 382.464 3.618 20 5 GHBDMO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578331834 903741601 /nfs/dbraw/zinc/74/16/01/903741601.db2.gz CRWQTUYPUKBMFP-NSHDSACASA-N 1 1 397.216 3.787 20 5 GHBDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578331834 903741605 /nfs/dbraw/zinc/74/16/05/903741605.db2.gz CRWQTUYPUKBMFP-NSHDSACASA-N 1 1 397.216 3.787 20 5 GHBDMO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000579257822 904459158 /nfs/dbraw/zinc/45/91/58/904459158.db2.gz NXEUTJSGDDSKAW-QRWLVFNGSA-N 1 1 385.439 3.570 20 5 GHBDMO Cc1cc(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)n1CC(F)(F)F ZINC000579261918 904462014 /nfs/dbraw/zinc/46/20/14/904462014.db2.gz PZEUFRZEALUBQX-UHFFFAOYSA-N 1 1 397.397 3.933 20 5 GHBDMO Cc1cc(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)n1CC(F)(F)F ZINC000579261918 904462022 /nfs/dbraw/zinc/46/20/22/904462022.db2.gz PZEUFRZEALUBQX-UHFFFAOYSA-N 1 1 397.397 3.933 20 5 GHBDMO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172904411 905927417 /nfs/dbraw/zinc/92/74/17/905927417.db2.gz NENYKWIQMKEEPT-HXUWFJFHSA-N 1 1 380.444 3.687 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCc4c(O)cccc4C3)CC2)c(F)c1 ZINC001173010815 906087149 /nfs/dbraw/zinc/08/71/49/906087149.db2.gz ZUQDNAOFLYESDC-UHFFFAOYSA-N 1 1 389.402 3.606 20 5 GHBDMO CC[N@@H+](CCN1CCCCC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173013507 906090883 /nfs/dbraw/zinc/09/08/83/906090883.db2.gz AHAYPNOVOWRQAU-UHFFFAOYSA-N 1 1 396.482 3.650 20 5 GHBDMO CC(C)OCC[NH+]1CCC(NCc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000177490743 906147175 /nfs/dbraw/zinc/14/71/75/906147175.db2.gz MTQQMLBOCGVJDK-UHFFFAOYSA-N 1 1 394.515 3.925 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H]2COCc2ccccc2)c1F ZINC001173187608 906268027 /nfs/dbraw/zinc/26/80/27/906268027.db2.gz ATQDZAMAVTYFTJ-NVXWUHKLSA-N 1 1 388.439 3.965 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H]2COCc2ccccc2)c1F ZINC001173187608 906268044 /nfs/dbraw/zinc/26/80/44/906268044.db2.gz ATQDZAMAVTYFTJ-NVXWUHKLSA-N 1 1 388.439 3.965 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@H](Oc3ccncc3)C2)c1F ZINC001173193008 906277141 /nfs/dbraw/zinc/27/71/41/906277141.db2.gz NRSLHKRZKTUIHM-ZBFHGGJFSA-N 1 1 389.427 3.612 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001173221610 906299197 /nfs/dbraw/zinc/29/91/97/906299197.db2.gz KNEKPGPXBNFRBI-ZTFGCOKTSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001173221610 906299220 /nfs/dbraw/zinc/29/92/20/906299220.db2.gz KNEKPGPXBNFRBI-ZTFGCOKTSA-N 1 1 375.469 3.610 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2c1cnn2CC1CC1 ZINC001173223792 906305837 /nfs/dbraw/zinc/30/58/37/906305837.db2.gz HRQDDCNWHHKQNM-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2c1cnn2CC1CC1 ZINC001173223792 906305848 /nfs/dbraw/zinc/30/58/48/906305848.db2.gz HRQDDCNWHHKQNM-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173225347 906307522 /nfs/dbraw/zinc/30/75/22/906307522.db2.gz JJCWZJXUPXFFDW-IAGOWNOFSA-N 1 1 385.512 3.639 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173228989 906312767 /nfs/dbraw/zinc/31/27/67/906312767.db2.gz PCNJYFGPLFDMJU-DOTOQJQBSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001173234222 906319882 /nfs/dbraw/zinc/31/98/82/906319882.db2.gz PZCWIASSNYWWDE-DOTOQJQBSA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001173235864 906322121 /nfs/dbraw/zinc/32/21/21/906322121.db2.gz ZUXXLNYQRZGVIW-IERDGZPVSA-N 1 1 395.503 3.867 20 5 GHBDMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)n1 ZINC000183552939 907410615 /nfs/dbraw/zinc/41/06/15/907410615.db2.gz CSIFPWFKPVQPFP-OAHLLOKOSA-N 1 1 380.857 3.693 20 5 GHBDMO COc1cc(C[N@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC001176321963 908056722 /nfs/dbraw/zinc/05/67/22/908056722.db2.gz GDFOMUKPRGLCSO-UHFFFAOYSA-N 1 1 399.463 3.820 20 5 GHBDMO COc1cc(C[N@@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC001176321963 908056728 /nfs/dbraw/zinc/05/67/28/908056728.db2.gz GDFOMUKPRGLCSO-UHFFFAOYSA-N 1 1 399.463 3.820 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001176701937 908238647 /nfs/dbraw/zinc/23/86/47/908238647.db2.gz VNOQFPUPBKPQTE-GFCCVEGCSA-N 1 1 385.411 3.610 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001176701937 908238654 /nfs/dbraw/zinc/23/86/54/908238654.db2.gz VNOQFPUPBKPQTE-GFCCVEGCSA-N 1 1 385.411 3.610 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001176976365 908343714 /nfs/dbraw/zinc/34/37/14/908343714.db2.gz BCFDSGPWXFZRMO-FOLVSLTJSA-N 1 1 381.860 3.545 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001176976365 908343729 /nfs/dbraw/zinc/34/37/29/908343729.db2.gz BCFDSGPWXFZRMO-FOLVSLTJSA-N 1 1 381.860 3.545 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000193410398 908347037 /nfs/dbraw/zinc/34/70/37/908347037.db2.gz JAMIGFFRNXSRKV-UHFFFAOYSA-N 1 1 388.374 3.724 20 5 GHBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2CCN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001177028040 908370308 /nfs/dbraw/zinc/37/03/08/908370308.db2.gz UOTVQQJPDAKALZ-CQSZACIVSA-N 1 1 382.461 3.503 20 5 GHBDMO Cc1noc(C[N@@H+]2CCCC[C@@H]2CCN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001177028040 908370319 /nfs/dbraw/zinc/37/03/19/908370319.db2.gz UOTVQQJPDAKALZ-CQSZACIVSA-N 1 1 382.461 3.503 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000246320020 910230908 /nfs/dbraw/zinc/23/09/08/910230908.db2.gz KLOQSWMWLHBVHF-BBRMVZONSA-N 1 1 388.493 3.778 20 5 GHBDMO CC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)C(F)(F)F ZINC000270969187 910743671 /nfs/dbraw/zinc/74/36/71/910743671.db2.gz IZHUKAHXSHDQMQ-CHWSQXEVSA-N 1 1 375.372 3.510 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1)CC(C)C ZINC000773981552 911218501 /nfs/dbraw/zinc/21/85/01/911218501.db2.gz GWCCRJBRXBYVHG-UHFFFAOYSA-N 1 1 390.528 3.706 20 5 GHBDMO CC(=O)c1ccc(NCC2([N@@H+](C)Cc3ccccc3)CCOCC2)c([N+](=O)[O-])c1 ZINC001187541770 915339602 /nfs/dbraw/zinc/33/96/02/915339602.db2.gz OCOPBFLDWQKGRI-UHFFFAOYSA-N 1 1 397.475 3.891 20 5 GHBDMO CC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000775130244 915372811 /nfs/dbraw/zinc/37/28/11/915372811.db2.gz NQEWNBQAPQPHED-INIZCTEOSA-N 1 1 391.855 3.614 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)n2)c1 ZINC000361998452 917024268 /nfs/dbraw/zinc/02/42/68/917024268.db2.gz SDUMOVFVVABVMP-QFBILLFUSA-N 1 1 380.404 3.512 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001191289223 917899018 /nfs/dbraw/zinc/89/90/18/917899018.db2.gz KAPQWCFTIIEUSW-KRWDZBQOSA-N 1 1 395.500 3.975 20 5 GHBDMO Cc1cc(F)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000296662026 918555901 /nfs/dbraw/zinc/55/59/01/918555901.db2.gz GNKNBPPTIBVZMX-SUMWQHHRSA-N 1 1 376.432 3.523 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(Cl)cc1 ZINC000117333714 919537624 /nfs/dbraw/zinc/53/76/24/919537624.db2.gz WEOBEFKQXAREFN-UHFFFAOYSA-N 1 1 375.812 3.678 20 5 GHBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000119130585 919606439 /nfs/dbraw/zinc/60/64/39/919606439.db2.gz VCNHVKGHQSMNGZ-OAHLLOKOSA-N 1 1 377.510 3.796 20 5 GHBDMO O=C(CC[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000800355786 919953439 /nfs/dbraw/zinc/95/34/39/919953439.db2.gz JSMCUSMARPNGMM-FPOVZHCZSA-N 1 1 383.448 3.512 20 5 GHBDMO C[C@@H](OC(=O)CC[C@@H]1CCCC[N@H+]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000803856296 923319801 /nfs/dbraw/zinc/31/98/01/923319801.db2.gz PDPZVXALFSRGFW-HIFRSBDPSA-N 1 1 388.424 3.514 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000369577132 923450495 /nfs/dbraw/zinc/45/04/95/923450495.db2.gz MQXAAIACTGWVPK-ACJLOTCBSA-N 1 1 398.394 3.998 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000369577132 923450500 /nfs/dbraw/zinc/45/05/00/923450500.db2.gz MQXAAIACTGWVPK-ACJLOTCBSA-N 1 1 398.394 3.998 20 5 GHBDMO COC(=O)c1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc(C)c1[N+](=O)[O-] ZINC000409663684 924860398 /nfs/dbraw/zinc/86/03/98/924860398.db2.gz VGHLJCLSSSZWAL-OAHLLOKOSA-N 1 1 398.463 3.607 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000409864255 925079232 /nfs/dbraw/zinc/07/92/32/925079232.db2.gz LUEDUCCOOMIBPT-KRWDZBQOSA-N 1 1 397.431 3.532 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000411117408 926084612 /nfs/dbraw/zinc/08/46/12/926084612.db2.gz BWFZAGWCGMPALO-UHFFFAOYSA-N 1 1 387.411 3.736 20 5 GHBDMO COc1ccc([C@H](C)[N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000411131735 926110792 /nfs/dbraw/zinc/11/07/92/926110792.db2.gz XZWFGGFRUHHTAF-AWEZNQCLSA-N 1 1 387.436 3.634 20 5 GHBDMO COc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411216061 926215854 /nfs/dbraw/zinc/21/58/54/926215854.db2.gz IZLHMHPBRTVEGA-GOSISDBHSA-N 1 1 399.447 3.778 20 5 GHBDMO CCS[C@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000411294204 926280034 /nfs/dbraw/zinc/28/00/34/926280034.db2.gz HUGIDHGGWWDHBG-ZFWWWQNUSA-N 1 1 381.498 3.538 20 5 GHBDMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000725811412 926452504 /nfs/dbraw/zinc/45/25/04/926452504.db2.gz GLJYIXLYPHQJMP-KRWDZBQOSA-N 1 1 393.484 3.695 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127811 927128702 /nfs/dbraw/zinc/12/87/02/927128702.db2.gz LWCKQOUCLWLUAB-VOQZNFBZSA-N 1 1 393.487 3.821 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@@H](O)c3ccccc3)n2)cc1 ZINC000750609081 927747588 /nfs/dbraw/zinc/74/75/88/927747588.db2.gz PONFORCLRQCSHN-ICSRJNTNSA-N 1 1 394.431 3.733 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(C(F)(F)F)c1 ZINC000413033039 928123817 /nfs/dbraw/zinc/12/38/17/928123817.db2.gz JVNFOJZZQWZAQB-UHFFFAOYSA-N 1 1 398.360 3.860 20 5 GHBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000751469113 928206747 /nfs/dbraw/zinc/20/67/47/928206747.db2.gz SUCFYBCIWFCQJK-UHFFFAOYSA-N 1 1 390.440 3.567 20 5 GHBDMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000751558981 928249383 /nfs/dbraw/zinc/24/93/83/928249383.db2.gz LPXWOLMGMVLELB-GHTZIAJQSA-N 1 1 397.475 3.902 20 5 GHBDMO CC[NH+](CC)[C@H](C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000751661623 928310051 /nfs/dbraw/zinc/31/00/51/928310051.db2.gz CCCWZAUVRMNOEG-IBGZPJMESA-N 1 1 383.404 3.862 20 5 GHBDMO COc1ccc(C[N@@H+](C)C[C@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000752017472 928554678 /nfs/dbraw/zinc/55/46/78/928554678.db2.gz VXINDXBBKUJORO-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(CCCn4ccnc4)CC3)n2)c1 ZINC000543987923 928650185 /nfs/dbraw/zinc/65/01/85/928650185.db2.gz OZYNJTWDHZOTQN-UHFFFAOYSA-N 1 1 396.451 3.534 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(CCCn3ccnc3)CC2)cccc1[N+](=O)[O-] ZINC000543988879 928652030 /nfs/dbraw/zinc/65/20/30/928652030.db2.gz KWDZYNUIIZKDLI-QGZVFWFLSA-N 1 1 399.495 3.619 20 5 GHBDMO CO[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000752320880 928755416 /nfs/dbraw/zinc/75/54/16/928755416.db2.gz KMOZUZZPMJROLD-MAUKXSAKSA-N 1 1 389.839 3.649 20 5 GHBDMO CO[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000752320880 928755422 /nfs/dbraw/zinc/75/54/22/928755422.db2.gz KMOZUZZPMJROLD-MAUKXSAKSA-N 1 1 389.839 3.649 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000467690208 929306396 /nfs/dbraw/zinc/30/63/96/929306396.db2.gz CCJRBQCWZQGZAK-HNAYVOBHSA-N 1 1 394.475 3.562 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000467719684 929336302 /nfs/dbraw/zinc/33/63/02/929336302.db2.gz DSJYOROQZFTJPW-KUHUBIRLSA-N 1 1 380.448 3.551 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758336261 930013802 /nfs/dbraw/zinc/01/38/02/930013802.db2.gz TZQFRQJNDZHCRP-BEFAXECRSA-N 1 1 384.411 3.882 20 5 GHBDMO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000546377642 930104114 /nfs/dbraw/zinc/10/41/14/930104114.db2.gz OPATVFCDEBPZGI-LJQANCHMSA-N 1 1 393.447 3.970 20 5 GHBDMO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000546377642 930104121 /nfs/dbraw/zinc/10/41/21/930104121.db2.gz OPATVFCDEBPZGI-LJQANCHMSA-N 1 1 393.447 3.970 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000470175521 930431150 /nfs/dbraw/zinc/43/11/50/930431150.db2.gz ZJFRPEOBJXJECW-IZLCOFNUSA-N 1 1 383.423 3.875 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000470175521 930431155 /nfs/dbraw/zinc/43/11/55/930431155.db2.gz ZJFRPEOBJXJECW-IZLCOFNUSA-N 1 1 383.423 3.875 20 5 GHBDMO CO[C@H](C)C[N@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000796641709 930491465 /nfs/dbraw/zinc/49/14/65/930491465.db2.gz YVSDPZFEPIRWPH-FZKQIMNGSA-N 1 1 391.855 3.895 20 5 GHBDMO CO[C@H](C)C[N@@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000796641709 930491468 /nfs/dbraw/zinc/49/14/68/930491468.db2.gz YVSDPZFEPIRWPH-FZKQIMNGSA-N 1 1 391.855 3.895 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000470389636 930578247 /nfs/dbraw/zinc/57/82/47/930578247.db2.gz VAKRQIFOFTYHFH-UHFFFAOYSA-N 1 1 383.448 3.646 20 5 GHBDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000781261858 930763914 /nfs/dbraw/zinc/76/39/14/930763914.db2.gz ZFVGFGNRPMTEEK-UHFFFAOYSA-N 1 1 375.428 3.823 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000470969035 931065222 /nfs/dbraw/zinc/06/52/22/931065222.db2.gz UBXPPYGFRJSMFD-WMZOPIPTSA-N 1 1 397.475 3.634 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000925238648 931712795 /nfs/dbraw/zinc/71/27/95/931712795.db2.gz AEHDRPFKXOZFHK-OAHLLOKOSA-N 1 1 384.436 3.612 20 5 GHBDMO C/C(=C\C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783912821 931714689 /nfs/dbraw/zinc/71/46/89/931714689.db2.gz LFYWECQWFBVWPF-WUKNDPDISA-N 1 1 394.475 3.779 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000784506645 931917325 /nfs/dbraw/zinc/91/73/25/931917325.db2.gz GYEBZJYPHWUOMY-KBAYOESNSA-N 1 1 375.469 3.720 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000784509270 931917909 /nfs/dbraw/zinc/91/79/09/931917909.db2.gz MDQWOAPIZZAZRI-GRDNDAEWSA-N 1 1 393.459 3.859 20 5 GHBDMO C/C(=C\C(=O)O[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784868021 932015848 /nfs/dbraw/zinc/01/58/48/932015848.db2.gz VVVNUXYZFVZPNY-VUVZNRFTSA-N 1 1 396.447 3.617 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC(Nc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000777610105 932335015 /nfs/dbraw/zinc/33/50/15/932335015.db2.gz SNAOHRSFBMWVEP-UHFFFAOYSA-N 1 1 396.491 3.508 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1 ZINC000926903821 932342459 /nfs/dbraw/zinc/34/24/59/932342459.db2.gz AFCKMPYRIFEYRS-ARFHVFGLSA-N 1 1 398.385 3.507 20 5 GHBDMO C[C@]1(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000798525509 932690377 /nfs/dbraw/zinc/69/03/77/932690377.db2.gz WRZQWBCTPDJWDX-HXUWFJFHSA-N 1 1 389.402 3.515 20 5 GHBDMO C[C@@]1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000799013514 932851910 /nfs/dbraw/zinc/85/19/10/932851910.db2.gz QSDBUOSVLYEIDB-FQEVSTJZSA-N 1 1 387.867 3.890 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000930225823 933905762 /nfs/dbraw/zinc/90/57/62/933905762.db2.gz GBBNXMWRIZAXJC-KRWDZBQOSA-N 1 1 379.254 3.961 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000930228940 933907796 /nfs/dbraw/zinc/90/77/96/933907796.db2.gz XZFSYRFWYZFXDV-MRXNPFEDSA-N 1 1 379.254 3.961 20 5 GHBDMO C[C@@H](NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001119807096 934398034 /nfs/dbraw/zinc/39/80/34/934398034.db2.gz XMVJVAUYZYVGQX-HZPDHXFCSA-N 1 1 398.463 3.871 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@H](c3ncccn3)C2)c1 ZINC000931750994 934707866 /nfs/dbraw/zinc/70/78/66/934707866.db2.gz TVQKZYDTMWRBMY-LBPRGKRZSA-N 1 1 377.242 3.527 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@H](c3ncccn3)C2)c1 ZINC000931750994 934707872 /nfs/dbraw/zinc/70/78/72/934707872.db2.gz TVQKZYDTMWRBMY-LBPRGKRZSA-N 1 1 377.242 3.527 20 5 GHBDMO Cc1c(Br)cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001125026584 935510541 /nfs/dbraw/zinc/51/05/41/935510541.db2.gz PPSCSOZJKRLMTA-NEPJUHHUSA-N 1 1 398.301 3.658 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@@H]1c1ccc(F)cc1 ZINC001137563853 935588401 /nfs/dbraw/zinc/58/84/01/935588401.db2.gz AKZROMWKFUWOQH-UXHICEINSA-N 1 1 397.450 3.717 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@@H]1c1ccc(F)cc1 ZINC001137563853 935588405 /nfs/dbraw/zinc/58/84/05/935588405.db2.gz AKZROMWKFUWOQH-UXHICEINSA-N 1 1 397.450 3.717 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1F ZINC000830010703 935890295 /nfs/dbraw/zinc/89/02/95/935890295.db2.gz YSBHVEUARKCNRH-HIFRSBDPSA-N 1 1 389.402 3.574 20 5 GHBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460988720 1069321010 /nfs/dbraw/zinc/32/10/10/1069321010.db2.gz VLDPPGJKPGTVHO-MRXNPFEDSA-N 1 1 381.448 3.955 20 5 GHBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460988720 1069321022 /nfs/dbraw/zinc/32/10/22/1069321022.db2.gz VLDPPGJKPGTVHO-MRXNPFEDSA-N 1 1 381.448 3.955 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000468251251 1015504010 /nfs/dbraw/zinc/50/40/10/1015504010.db2.gz OBWXLDVOHCKACE-GOSISDBHSA-N 1 1 381.476 3.823 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000468251251 1015504018 /nfs/dbraw/zinc/50/40/18/1015504018.db2.gz OBWXLDVOHCKACE-GOSISDBHSA-N 1 1 381.476 3.823 20 5 GHBDMO CC(C)([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000545165723 1015602680 /nfs/dbraw/zinc/60/26/80/1015602680.db2.gz QBFWVRQRXYVKDT-UHFFFAOYSA-N 1 1 380.347 3.950 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000468742483 1015983230 /nfs/dbraw/zinc/98/32/30/1015983230.db2.gz BWXYHQIYUHHKHH-HZBHDWBUSA-N 1 1 394.475 3.560 20 5 GHBDMO Cc1ccc(N2CCC[C@H](Oc3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C2)[nH+]c1 ZINC001227221188 1032329039 /nfs/dbraw/zinc/32/90/39/1032329039.db2.gz PSGFDRRNWRLELS-HNNXBMFYSA-N 1 1 380.404 3.600 20 5 GHBDMO O=[N+]([O-])c1nc(Br)ccc1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001227256337 1032344185 /nfs/dbraw/zinc/34/41/85/1032344185.db2.gz GCUNSJCSLBJOLV-AWEZNQCLSA-N 1 1 392.253 3.796 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000934612954 1018915119 /nfs/dbraw/zinc/91/51/19/1018915119.db2.gz YTACLUDIDNODLC-ZNMIVQPWSA-N 1 1 379.432 3.612 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000564392603 1019066721 /nfs/dbraw/zinc/06/67/21/1019066721.db2.gz CWNSMPANQCJAQV-QFIPXVFZSA-N 1 1 395.459 3.702 20 5 GHBDMO COc1cc(CN(C)CC(C)(C)C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000564973499 1019133689 /nfs/dbraw/zinc/13/36/89/1019133689.db2.gz DYKGKRJLTWTXFE-UHFFFAOYSA-N 1 1 387.480 3.599 20 5 GHBDMO COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000576106672 1019979973 /nfs/dbraw/zinc/97/99/73/1019979973.db2.gz FNNMIHOHAFAMBB-IBGZPJMESA-N 1 1 381.476 3.890 20 5 GHBDMO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000576106672 1019979983 /nfs/dbraw/zinc/97/99/83/1019979983.db2.gz FNNMIHOHAFAMBB-IBGZPJMESA-N 1 1 381.476 3.890 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC001228257791 1032869202 /nfs/dbraw/zinc/86/92/02/1032869202.db2.gz MQRJRBFQYQJYKP-LJQANCHMSA-N 1 1 376.840 3.918 20 5 GHBDMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)n1 ZINC000194922253 1020968862 /nfs/dbraw/zinc/96/88/62/1020968862.db2.gz DUNWCVQNZHNUOM-AWEZNQCLSA-N 1 1 397.435 3.683 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)nc2c1 ZINC001156315431 1032976889 /nfs/dbraw/zinc/97/68/89/1032976889.db2.gz OACCBTNZPCBMLD-NZSAHSFTSA-N 1 1 389.459 3.861 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC001156317288 1032980280 /nfs/dbraw/zinc/98/02/80/1032980280.db2.gz KYFBNPYZINKFIK-YESZJQIVSA-N 1 1 377.448 3.794 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2cc(F)cc(F)c2[N+](=O)[O-])O1 ZINC001228614079 1033007337 /nfs/dbraw/zinc/00/73/37/1033007337.db2.gz SQPQRVSQVLGEEO-MRXNPFEDSA-N 1 1 392.402 3.931 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2cc(F)cc(F)c2[N+](=O)[O-])O1 ZINC001228614079 1033007356 /nfs/dbraw/zinc/00/73/56/1033007356.db2.gz SQPQRVSQVLGEEO-MRXNPFEDSA-N 1 1 392.402 3.931 20 5 GHBDMO Cc1nc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)cc1[N+](=O)[O-] ZINC001228621425 1033012758 /nfs/dbraw/zinc/01/27/58/1033012758.db2.gz SBIMBVZHVQQGAL-AWEZNQCLSA-N 1 1 392.253 3.714 20 5 GHBDMO Cc1nc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)cc1[N+](=O)[O-] ZINC001228621425 1033012768 /nfs/dbraw/zinc/01/27/68/1033012768.db2.gz SBIMBVZHVQQGAL-AWEZNQCLSA-N 1 1 392.253 3.714 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000754099639 1022480915 /nfs/dbraw/zinc/48/09/15/1022480915.db2.gz WZUUHSQMQDSJTO-IBZMOEQTSA-N 1 1 397.450 3.980 20 5 GHBDMO C[C@@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228759204 1033081573 /nfs/dbraw/zinc/08/15/73/1033081573.db2.gz XNRFNEZZXPQBRR-AUUYWEPGSA-N 1 1 376.840 3.917 20 5 GHBDMO C[C@@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228759204 1033081586 /nfs/dbraw/zinc/08/15/86/1033081586.db2.gz XNRFNEZZXPQBRR-AUUYWEPGSA-N 1 1 376.840 3.917 20 5 GHBDMO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000839135566 1025629893 /nfs/dbraw/zinc/62/98/93/1025629893.db2.gz CCAKJQCIVKOYKM-UHFFFAOYSA-N 1 1 377.363 3.570 20 5 GHBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000839135566 1025629894 /nfs/dbraw/zinc/62/98/94/1025629894.db2.gz CCAKJQCIVKOYKM-UHFFFAOYSA-N 1 1 377.363 3.570 20 5 GHBDMO COC(=O)CCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839502421 1025988064 /nfs/dbraw/zinc/98/80/64/1025988064.db2.gz MBXGWVVXPJYZOV-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000839530213 1026016221 /nfs/dbraw/zinc/01/62/21/1026016221.db2.gz NWKQRSLFLSKKPE-HNNXBMFYSA-N 1 1 375.469 3.600 20 5 GHBDMO C[N@@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2Br)[C@@H]1c1ccccc1 ZINC000839593992 1026095006 /nfs/dbraw/zinc/09/50/06/1026095006.db2.gz OTBOCUZBDBJDFS-YJBOKZPZSA-N 1 1 390.281 3.892 20 5 GHBDMO C[N@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2Br)[C@@H]1c1ccccc1 ZINC000839593992 1026095024 /nfs/dbraw/zinc/09/50/24/1026095024.db2.gz OTBOCUZBDBJDFS-YJBOKZPZSA-N 1 1 390.281 3.892 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001163250211 1026106821 /nfs/dbraw/zinc/10/68/21/1026106821.db2.gz ZJAUHVSZCPQTDF-UHFFFAOYSA-N 1 1 382.258 3.909 20 5 GHBDMO COCC[N@@H+](C)[C@@H](CNc1nccc(C)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001163386614 1026173250 /nfs/dbraw/zinc/17/32/50/1026173250.db2.gz YNXUVZNAWMKYEY-INIZCTEOSA-N 1 1 378.860 3.683 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000839669038 1026187715 /nfs/dbraw/zinc/18/77/15/1026187715.db2.gz BPBJQXLQEUFSRG-CQSZACIVSA-N 1 1 393.440 3.837 20 5 GHBDMO CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC001163572130 1026239615 /nfs/dbraw/zinc/23/96/15/1026239615.db2.gz UIUXRCMPVAJCAN-MSOLQXFVSA-N 1 1 382.464 3.568 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC001163681413 1026281634 /nfs/dbraw/zinc/28/16/34/1026281634.db2.gz QPERTYXFJYWBQH-SFHVURJKSA-N 1 1 376.460 3.896 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001461100321 1069389257 /nfs/dbraw/zinc/38/92/57/1069389257.db2.gz HOBDUBZDJWUQLK-ZDUSSCGKSA-N 1 1 384.318 3.957 20 5 GHBDMO CCOc1cnc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001164484667 1026524862 /nfs/dbraw/zinc/52/48/62/1026524862.db2.gz GLMVWZBSLZBYPL-QXAKKESOSA-N 1 1 382.464 3.711 20 5 GHBDMO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001164499924 1026536664 /nfs/dbraw/zinc/53/66/64/1026536664.db2.gz VZNNWLMPDACLJX-BRWVUGGUSA-N 1 1 377.448 3.794 20 5 GHBDMO C[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165202064 1026663772 /nfs/dbraw/zinc/66/37/72/1026663772.db2.gz RRTGVXDFYPUHCU-CVEARBPZSA-N 1 1 377.448 3.637 20 5 GHBDMO O[C@@H]1CNCC[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001210400003 1027490071 /nfs/dbraw/zinc/49/00/71/1027490071.db2.gz OXSRVYONFJDQPV-OAHLLOKOSA-N 1 1 384.483 3.722 20 5 GHBDMO O[C@@H]1C[NH2+]CCN(Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001210400003 1027490090 /nfs/dbraw/zinc/49/00/90/1027490090.db2.gz OXSRVYONFJDQPV-OAHLLOKOSA-N 1 1 384.483 3.722 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)cc1Cl ZINC001461340606 1069507910 /nfs/dbraw/zinc/50/79/10/1069507910.db2.gz FNEDAGXRUVWMKD-MRXNPFEDSA-N 1 1 387.867 3.556 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)cc1Cl ZINC001461340606 1069507920 /nfs/dbraw/zinc/50/79/20/1069507920.db2.gz FNEDAGXRUVWMKD-MRXNPFEDSA-N 1 1 387.867 3.556 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c2ncc([N+](=O)[O-])cc12 ZINC000841684373 1028832637 /nfs/dbraw/zinc/83/26/37/1028832637.db2.gz CDHBMAYAWWLGNR-OAHLLOKOSA-N 1 1 387.390 3.591 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c2ncc([N+](=O)[O-])cc12 ZINC000841684373 1028832654 /nfs/dbraw/zinc/83/26/54/1028832654.db2.gz CDHBMAYAWWLGNR-OAHLLOKOSA-N 1 1 387.390 3.591 20 5 GHBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@@H]2C1 ZINC001215270393 1029124079 /nfs/dbraw/zinc/12/40/79/1029124079.db2.gz UBROAXRWNIGPFB-KPOBHBOGSA-N 1 1 396.447 3.849 20 5 GHBDMO COc1ccc(F)c(-c2noc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])n2)c1 ZINC001216552952 1029683301 /nfs/dbraw/zinc/68/33/01/1029683301.db2.gz QIRSOGHIKLRUEK-UHFFFAOYSA-N 1 1 395.350 3.954 20 5 GHBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC001149670287 1030263661 /nfs/dbraw/zinc/26/36/61/1030263661.db2.gz CLLKJVCAEGCYCK-SZPZYZBQSA-N 1 1 394.475 3.752 20 5 GHBDMO C[N@H+]1CCCn2nc(-c3nc(-c4ccc5ccc6cccnc6c5n4)no3)cc2C1 ZINC001217691863 1030612725 /nfs/dbraw/zinc/61/27/25/1030612725.db2.gz JGVYDFKYCHMIJN-UHFFFAOYSA-N 1 1 397.442 3.532 20 5 GHBDMO COC(=O)c1cc(CO[C@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)cc([N+](=O)[O-])c1 ZINC001223692221 1030707440 /nfs/dbraw/zinc/70/74/40/1030707440.db2.gz ZGWRNDYTBXIAGT-KXBFYZLASA-N 1 1 399.447 3.519 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@H]2C[NH2+]C[C@@H]2F)c2c(=O)c3cccc(O)c3oc12 ZINC001218020673 1030727022 /nfs/dbraw/zinc/72/70/22/1030727022.db2.gz LRYMCLDRRGCZAQ-KSSFIOAISA-N 1 1 399.418 3.555 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001219318021 1031354744 /nfs/dbraw/zinc/35/47/44/1031354744.db2.gz OTHUPWDHHVHGCE-MRXNPFEDSA-N 1 1 378.473 3.770 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001225451296 1031422362 /nfs/dbraw/zinc/42/23/62/1031422362.db2.gz QOHMMWINPCFDPH-BEFAXECRSA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001225451808 1031422523 /nfs/dbraw/zinc/42/25/23/1031422523.db2.gz VBDWKLAUALLVKL-INIZCTEOSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001225451808 1031422540 /nfs/dbraw/zinc/42/25/40/1031422540.db2.gz VBDWKLAUALLVKL-INIZCTEOSA-N 1 1 388.395 3.564 20 5 GHBDMO CNc1ccc(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001153718602 1031719547 /nfs/dbraw/zinc/71/95/47/1031719547.db2.gz ATWJGAHKGIZIMY-IBGZPJMESA-N 1 1 396.491 3.763 20 5 GHBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C[C@H]1[N@H+]2C ZINC001225972997 1031724530 /nfs/dbraw/zinc/72/45/30/1031724530.db2.gz NVMPWFVTKQWNJV-UVUJQTEASA-N 1 1 396.443 3.807 20 5 GHBDMO COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)C1 ZINC001229201681 1033338037 /nfs/dbraw/zinc/33/80/37/1033338037.db2.gz BHOJWTJLABWKHZ-QGZVFWFLSA-N 1 1 384.432 3.616 20 5 GHBDMO COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)C1 ZINC001229201681 1033338049 /nfs/dbraw/zinc/33/80/49/1033338049.db2.gz BHOJWTJLABWKHZ-QGZVFWFLSA-N 1 1 384.432 3.616 20 5 GHBDMO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229233000 1033356950 /nfs/dbraw/zinc/35/69/50/1033356950.db2.gz PMVFZHLUUWHTDV-CLLJXQQHSA-N 1 1 383.242 3.564 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229374852 1033444997 /nfs/dbraw/zinc/44/49/97/1033444997.db2.gz SZTCGJWMKQPDAA-KBXCAEBGSA-N 1 1 394.431 3.533 20 5 GHBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001205662362 1033517574 /nfs/dbraw/zinc/51/75/74/1033517574.db2.gz HJPMNWZRKDFCKJ-CQSZACIVSA-N 1 1 380.876 3.943 20 5 GHBDMO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001157524218 1033637139 /nfs/dbraw/zinc/63/71/39/1033637139.db2.gz LDSMNTDEVLGVPJ-ICSRJNTNSA-N 1 1 395.503 3.769 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC001206036364 1033696761 /nfs/dbraw/zinc/69/67/61/1033696761.db2.gz YJMLYEWNTCCBJM-UHFFFAOYSA-N 1 1 392.500 3.512 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000430199223 1033870353 /nfs/dbraw/zinc/87/03/53/1033870353.db2.gz BMNVAHOUEGMHEC-FQEVSTJZSA-N 1 1 381.432 3.551 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001230251250 1033962203 /nfs/dbraw/zinc/96/22/03/1033962203.db2.gz OHEZVXVOPPBPNJ-QGZVFWFLSA-N 1 1 387.411 3.736 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001230251459 1033963469 /nfs/dbraw/zinc/96/34/69/1033963469.db2.gz VPQOSXDEIGJRPN-YFVAEKQCSA-N 1 1 395.459 3.843 20 5 GHBDMO Cn1cc[nH+]c1C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC001206771126 1033977760 /nfs/dbraw/zinc/97/77/60/1033977760.db2.gz OACIUUZIVWZIHK-MRXNPFEDSA-N 1 1 377.404 3.543 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001158524201 1034126805 /nfs/dbraw/zinc/12/68/05/1034126805.db2.gz UPMDRHKJEHDBPZ-VXGBXAGGSA-N 1 1 396.278 3.791 20 5 GHBDMO COC(=O)c1ccc(OC)c2c1CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C2 ZINC001207417142 1034353619 /nfs/dbraw/zinc/35/36/19/1034353619.db2.gz YTRWJHMCMPMXSF-PTNGSMBKSA-N 1 1 396.443 3.852 20 5 GHBDMO CCN(C(=O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC001207565990 1034454067 /nfs/dbraw/zinc/45/40/67/1034454067.db2.gz VBOJCXNNCBIKQX-UHFFFAOYSA-N 1 1 381.354 3.756 20 5 GHBDMO Cc1nc(Cl)nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001159288467 1034525200 /nfs/dbraw/zinc/52/52/00/1034525200.db2.gz QPJLELWITNZIIH-PHZGNYQRSA-N 1 1 387.871 3.954 20 5 GHBDMO COc1ccc(F)cc1C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001161150996 1035159569 /nfs/dbraw/zinc/15/95/69/1035159569.db2.gz NFDKUMBOERXNAQ-UHFFFAOYSA-N 1 1 394.834 3.867 20 5 GHBDMO c1ccc(CC[NH+]2CCN(Cc3ccc4ccc5cccnc5c4n3)CC2)nc1 ZINC001232222658 1035170446 /nfs/dbraw/zinc/17/04/46/1035170446.db2.gz VYIWTFCIAFUHQV-UHFFFAOYSA-N 1 1 383.499 3.538 20 5 GHBDMO c1ccc(CCN2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)nc1 ZINC001232222658 1035170448 /nfs/dbraw/zinc/17/04/48/1035170448.db2.gz VYIWTFCIAFUHQV-UHFFFAOYSA-N 1 1 383.499 3.538 20 5 GHBDMO C[C@H]1C[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001461984813 1069929779 /nfs/dbraw/zinc/92/97/79/1069929779.db2.gz XFIBGMREGIHMJJ-JKSUJKDBSA-N 1 1 389.496 3.989 20 5 GHBDMO Cc1c(F)ccc(-c2noc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)n2)c1Cl ZINC001248208145 1035639863 /nfs/dbraw/zinc/63/98/63/1035639863.db2.gz JIJXDNWOKKVFMK-CQSZACIVSA-N 1 1 376.775 3.988 20 5 GHBDMO Cc1ccc2cccc(-c3noc([C@@H]([NH3+])Cc4ccc([N+](=O)[O-])cc4)n3)c2n1 ZINC001248211026 1035642570 /nfs/dbraw/zinc/64/25/70/1035642570.db2.gz ZHXYDBFDWCLPPA-KRWDZBQOSA-N 1 1 375.388 3.744 20 5 GHBDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001248662894 1036037801 /nfs/dbraw/zinc/03/78/01/1036037801.db2.gz VRPHIQNIBVQGHN-ROUUACIJSA-N 1 1 396.491 3.962 20 5 GHBDMO Cc1c(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cccc1[N+](=O)[O-] ZINC001462086011 1069987049 /nfs/dbraw/zinc/98/70/49/1069987049.db2.gz KJDINSORKWNLPM-UHFFFAOYSA-N 1 1 386.227 3.925 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246619241 1037510800 /nfs/dbraw/zinc/51/08/00/1037510800.db2.gz JXFARIUFYVGSPR-IRLDBZIGSA-N 1 1 377.488 3.531 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246619241 1037510815 /nfs/dbraw/zinc/51/08/15/1037510815.db2.gz JXFARIUFYVGSPR-IRLDBZIGSA-N 1 1 377.488 3.531 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1)C2 ZINC001246945069 1037750623 /nfs/dbraw/zinc/75/06/23/1037750623.db2.gz FKDCXVGPALILMM-OAQYLSRUSA-N 1 1 385.895 3.970 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)c1 ZINC001253173480 1039461555 /nfs/dbraw/zinc/46/15/55/1039461555.db2.gz OKYKGPJQDAQGHZ-CZTZKLFOSA-N 1 1 382.460 3.736 20 5 GHBDMO CN1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1c1ccccc1 ZINC001254479451 1040266379 /nfs/dbraw/zinc/26/63/79/1040266379.db2.gz ZVBCUADREFMIBN-JOCHJYFZSA-N 1 1 380.492 3.552 20 5 GHBDMO CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001254560468 1040331834 /nfs/dbraw/zinc/33/18/34/1040331834.db2.gz SXUOZABAOOZVTE-RDJZCZTQSA-N 1 1 377.485 3.857 20 5 GHBDMO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563957 1040338374 /nfs/dbraw/zinc/33/83/74/1040338374.db2.gz HFHMDUMQXFKITQ-FUHWJXTLSA-N 1 1 380.485 3.596 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(c3ccc(C(F)(F)F)cc3)COC1)C2 ZINC001254574911 1040351525 /nfs/dbraw/zinc/35/15/25/1040351525.db2.gz LZVPLIALKGLGLM-INIZCTEOSA-N 1 1 378.350 3.596 20 5 GHBDMO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603495 1040375117 /nfs/dbraw/zinc/37/51/17/1040375117.db2.gz NUNRFFUCFVVCCN-RGPMPMONSA-N 1 1 387.480 3.582 20 5 GHBDMO C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254606425 1040378568 /nfs/dbraw/zinc/37/85/68/1040378568.db2.gz FWMKNZWICLYOGD-WIYYLYMNSA-N 1 1 389.496 3.783 20 5 GHBDMO O=C(c1ccc(Cl)cc1)N1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606895 1040379019 /nfs/dbraw/zinc/37/90/19/1040379019.db2.gz JFPJCMBBDQBYNE-FQEVSTJZSA-N 1 1 399.878 3.564 20 5 GHBDMO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001255330490 1040948051 /nfs/dbraw/zinc/94/80/51/1040948051.db2.gz FQAOIZMWBUIPSB-IRXDYDNUSA-N 1 1 382.464 3.744 20 5 GHBDMO O=[N+]([O-])c1ccc(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c(F)c1 ZINC001255365188 1040963644 /nfs/dbraw/zinc/96/36/44/1040963644.db2.gz LNVAIEZGAQBEBE-INIZCTEOSA-N 1 1 382.395 3.697 20 5 GHBDMO Cc1ccc(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255444807 1041046042 /nfs/dbraw/zinc/04/60/42/1041046042.db2.gz FCKUXPHPEPJJAM-SFHVURJKSA-N 1 1 378.432 3.867 20 5 GHBDMO OC[C@H]1C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)CCN1 ZINC001235752620 1041239706 /nfs/dbraw/zinc/23/97/06/1041239706.db2.gz OOQSTQAMYLXQPO-OAHLLOKOSA-N 1 1 384.483 3.722 20 5 GHBDMO OC[C@H]1CN(Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)CC[NH2+]1 ZINC001235752620 1041239723 /nfs/dbraw/zinc/23/97/23/1041239723.db2.gz OOQSTQAMYLXQPO-OAHLLOKOSA-N 1 1 384.483 3.722 20 5 GHBDMO COc1ccc2c(c1)C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC1)CC2 ZINC001256093734 1041523089 /nfs/dbraw/zinc/52/30/89/1041523089.db2.gz PPYZMIZUDCVLAU-UHFFFAOYSA-N 1 1 397.475 3.639 20 5 GHBDMO COc1cccc(CC[N@@H+](C)C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC001256099667 1041527442 /nfs/dbraw/zinc/52/74/42/1041527442.db2.gz UZZUBHQTOLZHCG-UHFFFAOYSA-N 1 1 399.491 3.755 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001292098571 1043593223 /nfs/dbraw/zinc/59/32/23/1043593223.db2.gz TUFFTYWYHVSWBV-GASCZTMLSA-N 1 1 398.507 3.817 20 5 GHBDMO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001462834389 1070582296 /nfs/dbraw/zinc/58/22/96/1070582296.db2.gz CFSXPOXHNJGOMH-UIFIKXQLSA-N 1 1 393.487 3.679 20 5 GHBDMO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001296086986 1045250276 /nfs/dbraw/zinc/25/02/76/1045250276.db2.gz DJKRYEFVHJHKSW-IBGZPJMESA-N 1 1 398.511 3.716 20 5 GHBDMO CC[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000489448569 1045904147 /nfs/dbraw/zinc/90/41/47/1045904147.db2.gz MSWFRZCABVQPHN-LJQANCHMSA-N 1 1 388.443 3.616 20 5 GHBDMO C[C@H](NC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000566321025 1046033565 /nfs/dbraw/zinc/03/35/65/1046033565.db2.gz BWCNEFNCEDPIPX-KKSFZXQISA-N 1 1 382.464 3.620 20 5 GHBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001303270147 1047332536 /nfs/dbraw/zinc/33/25/36/1047332536.db2.gz HELGHHWDLNLFOK-VQIMIIECSA-N 1 1 398.511 3.572 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001265497167 1047619575 /nfs/dbraw/zinc/61/95/75/1047619575.db2.gz HOWFHNPDFRMUEM-GOSISDBHSA-N 1 1 383.448 3.513 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC001265498235 1047620427 /nfs/dbraw/zinc/62/04/27/1047620427.db2.gz SXHPMFDNLDXOMX-SFHVURJKSA-N 1 1 389.402 3.782 20 5 GHBDMO C[C@H](C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC001266225370 1047719438 /nfs/dbraw/zinc/71/94/38/1047719438.db2.gz MGEWXZQOCPBWNX-ZACQAIPSSA-N 1 1 399.466 3.959 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001306982987 1048991489 /nfs/dbraw/zinc/99/14/89/1048991489.db2.gz VFYFBNXSHGPLGE-CRAIPNDOSA-N 1 1 383.448 3.704 20 5 GHBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001306995676 1048997252 /nfs/dbraw/zinc/99/72/52/1048997252.db2.gz GZEIASRAJSEKHN-UHFFFAOYSA-N 1 1 382.342 3.897 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2nccc3c2cccc3[N+](=O)[O-])cc1 ZINC001307169332 1049117328 /nfs/dbraw/zinc/11/73/28/1049117328.db2.gz MUHBATVJQFKZER-MRXNPFEDSA-N 1 1 378.432 3.838 20 5 GHBDMO C[N@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC001307504908 1049347543 /nfs/dbraw/zinc/34/75/43/1049347543.db2.gz WPGPXUZAIPSCNK-UHFFFAOYSA-N 1 1 382.302 3.808 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001307507596 1049348767 /nfs/dbraw/zinc/34/87/67/1049348767.db2.gz VLDSGONKTJSXCZ-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001307507596 1049348783 /nfs/dbraw/zinc/34/87/83/1049348783.db2.gz VLDSGONKTJSXCZ-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO C[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001289347216 1049433986 /nfs/dbraw/zinc/43/39/86/1049433986.db2.gz HTALRZUKPHFGCU-ACJLOTCBSA-N 1 1 375.856 3.771 20 5 GHBDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307872054 1049654065 /nfs/dbraw/zinc/65/40/65/1049654065.db2.gz KFYLNEMGASMXMJ-QFIPXVFZSA-N 1 1 397.450 3.720 20 5 GHBDMO Cc1c(C[N@H+]2C3CCC2(CNC(=O)OC(C)(C)C)CC3)cccc1[N+](=O)[O-] ZINC001308148374 1049886595 /nfs/dbraw/zinc/88/65/95/1049886595.db2.gz CMDPMLOSXQYXGA-UHFFFAOYSA-N 1 1 375.469 3.925 20 5 GHBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308178211 1049902302 /nfs/dbraw/zinc/90/23/02/1049902302.db2.gz QXHQMRGXEBABSN-GOSISDBHSA-N 1 1 377.485 3.859 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001308293419 1049940045 /nfs/dbraw/zinc/94/00/45/1049940045.db2.gz UIOHXUASFIKTGD-CQSZACIVSA-N 1 1 382.302 3.711 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001327618142 1050235150 /nfs/dbraw/zinc/23/51/50/1050235150.db2.gz ZEQYFSMQWMAWTJ-GOSISDBHSA-N 1 1 396.491 3.669 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC001330660989 1051058691 /nfs/dbraw/zinc/05/86/91/1051058691.db2.gz HHOUGIFEWACSDD-AWEZNQCLSA-N 1 1 382.420 3.716 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC001310084478 1051144387 /nfs/dbraw/zinc/14/43/87/1051144387.db2.gz RZJKJQCOXDXBHT-UHFFFAOYSA-N 1 1 386.452 3.765 20 5 GHBDMO COC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC001337026659 1052381477 /nfs/dbraw/zinc/38/14/77/1052381477.db2.gz UQDGBPPXFFMWDD-UHFFFAOYSA-N 1 1 375.450 3.597 20 5 GHBDMO C[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001313135555 1052966093 /nfs/dbraw/zinc/96/60/93/1052966093.db2.gz CSVKDLIIIWRLPT-ZWOKBUDYSA-N 1 1 396.491 3.723 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001317856351 1054280660 /nfs/dbraw/zinc/28/06/60/1054280660.db2.gz GZTFOMAQGKOMEH-UHFFFAOYSA-N 1 1 398.463 3.652 20 5 GHBDMO C[C@@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)cc1F ZINC001344813212 1054755800 /nfs/dbraw/zinc/75/58/00/1054755800.db2.gz SIGPJZLYXAKICS-DYVFJYSZSA-N 1 1 390.386 3.794 20 5 GHBDMO C[C@@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)cc1F ZINC001344813212 1054755815 /nfs/dbraw/zinc/75/58/15/1054755815.db2.gz SIGPJZLYXAKICS-DYVFJYSZSA-N 1 1 390.386 3.794 20 5 GHBDMO COc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC001318642842 1054766421 /nfs/dbraw/zinc/76/64/21/1054766421.db2.gz BDRQSXANRADBFC-LJQANCHMSA-N 1 1 397.475 3.583 20 5 GHBDMO CC(C)(C)[NH+]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC001320803492 1055967152 /nfs/dbraw/zinc/96/71/52/1055967152.db2.gz MAONNFAFTMAQEB-UHFFFAOYSA-N 1 1 399.441 3.516 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001322447221 1056708534 /nfs/dbraw/zinc/70/85/34/1056708534.db2.gz UINRNAHDLQTMTH-FQEVSTJZSA-N 1 1 380.448 3.867 20 5 GHBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000848488102 1057122870 /nfs/dbraw/zinc/12/28/70/1057122870.db2.gz GFZHHHMLZLWHQG-CZUORRHYSA-N 1 1 385.386 3.533 20 5 GHBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000848488102 1057122874 /nfs/dbraw/zinc/12/28/74/1057122874.db2.gz GFZHHHMLZLWHQG-CZUORRHYSA-N 1 1 385.386 3.533 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC001355883383 1057304458 /nfs/dbraw/zinc/30/44/58/1057304458.db2.gz RMHAJPTXEMTYDZ-ZWKOTPCHSA-N 1 1 394.406 3.648 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001325509594 1057336668 /nfs/dbraw/zinc/33/66/68/1057336668.db2.gz CSJCTLNOGAHRPR-XWIAVFTESA-N 1 1 395.887 3.712 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001356354204 1057485514 /nfs/dbraw/zinc/48/55/14/1057485514.db2.gz FSIAHLCLGMYMEG-IRXDYDNUSA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001356354204 1057485534 /nfs/dbraw/zinc/48/55/34/1057485534.db2.gz FSIAHLCLGMYMEG-IRXDYDNUSA-N 1 1 399.516 3.808 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC001442472318 1058965952 /nfs/dbraw/zinc/96/59/52/1058965952.db2.gz UMHNBVIVKSPKFE-IBGZPJMESA-N 1 1 381.476 3.854 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[N@H+](C)[C@H](C)C3)cc2[N+](=O)[O-])cc1 ZINC001443960356 1059240453 /nfs/dbraw/zinc/24/04/53/1059240453.db2.gz HAJDVVCJKWQSIV-OAHLLOKOSA-N 1 1 385.489 3.831 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[N@@H+](C)[C@H](C)C3)cc2[N+](=O)[O-])cc1 ZINC001443960356 1059240469 /nfs/dbraw/zinc/24/04/69/1059240469.db2.gz HAJDVVCJKWQSIV-OAHLLOKOSA-N 1 1 385.489 3.831 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001348111749 1062924044 /nfs/dbraw/zinc/92/40/44/1062924044.db2.gz GDYVCUOATVSGDH-LJQANCHMSA-N 1 1 397.475 3.953 20 5 GHBDMO COC(=O)/C=C/c1ccc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001458152711 1063607566 /nfs/dbraw/zinc/60/75/66/1063607566.db2.gz PHKAPAOBRUXBPD-HQPKTYMTSA-N 1 1 375.469 3.703 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001458237443 1063684195 /nfs/dbraw/zinc/68/41/95/1063684195.db2.gz FQLQRSZGDFYWAN-MSOLQXFVSA-N 1 1 396.447 3.994 20 5 GHBDMO COC(=O)Cc1ccc(NC[C@H]2CC[N@H+]2C2CCCCCC2)c([N+](=O)[O-])c1 ZINC001458545176 1063881395 /nfs/dbraw/zinc/88/13/95/1063881395.db2.gz IQBGSHPIGJIFMH-QGZVFWFLSA-N 1 1 375.469 3.519 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001349875358 1063932746 /nfs/dbraw/zinc/93/27/46/1063932746.db2.gz QZBVKSXULHJSCX-DOTOQJQBSA-N 1 1 398.463 3.778 20 5 GHBDMO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001350142732 1064001885 /nfs/dbraw/zinc/00/18/85/1064001885.db2.gz ILLMYBOIPVHPDR-QGZVFWFLSA-N 1 1 398.463 3.637 20 5 GHBDMO CSc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)cc1[N+](=O)[O-] ZINC001438581921 1064077898 /nfs/dbraw/zinc/07/78/98/1064077898.db2.gz PJAIQKWSYWJXHD-INIZCTEOSA-N 1 1 377.510 3.844 20 5 GHBDMO CC(C)CNC(=O)C1([NH2+]Cc2cccc([N+](=O)[O-])c2Br)CCCC1 ZINC001459703714 1064178180 /nfs/dbraw/zinc/17/81/80/1064178180.db2.gz ZSZLCAQTNYHBCG-UHFFFAOYSA-N 1 1 398.301 3.532 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC001465076985 1065375145 /nfs/dbraw/zinc/37/51/45/1065375145.db2.gz SIQYUGSLXCZHSV-CQSZACIVSA-N 1 1 379.526 3.947 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001465158113 1065425973 /nfs/dbraw/zinc/42/59/73/1065425973.db2.gz AAZYVSLTEREHBH-QGZVFWFLSA-N 1 1 390.484 3.770 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001465160283 1065427819 /nfs/dbraw/zinc/42/78/19/1065427819.db2.gz SEJLQKKZICZBOC-MRXNPFEDSA-N 1 1 376.457 3.522 20 5 GHBDMO CCOc1cc(NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001466988115 1066430526 /nfs/dbraw/zinc/43/05/26/1066430526.db2.gz CSLVIHJKZHDMRU-HNNXBMFYSA-N 1 1 398.463 3.562 20 5 GHBDMO Cc1cc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001467530848 1067345430 /nfs/dbraw/zinc/34/54/30/1067345430.db2.gz YEPVQEUANQGOBF-GOSISDBHSA-N 1 1 382.464 3.889 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC001358095569 1067396868 /nfs/dbraw/zinc/39/68/68/1067396868.db2.gz MUBSWMUPZUROBZ-UHFFFAOYSA-N 1 1 389.452 3.843 20 5 GHBDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473431538 1067559541 /nfs/dbraw/zinc/55/95/41/1067559541.db2.gz GCVGOTQXQBBMOU-QFBILLFUSA-N 1 1 379.460 3.670 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000849293047 1067789272 /nfs/dbraw/zinc/78/92/72/1067789272.db2.gz PAEKBPHHXGHHRZ-LJQANCHMSA-N 1 1 384.505 3.540 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001469077637 1067971972 /nfs/dbraw/zinc/97/19/72/1067971972.db2.gz YRFMTNNUPXPVQO-DBVUQKKJSA-N 1 1 396.491 3.609 20 5 GHBDMO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC001469751949 1068358408 /nfs/dbraw/zinc/35/84/08/1068358408.db2.gz HPBOFBGTVJGUJW-IXDOHACOSA-N 1 1 388.512 3.651 20 5 GHBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001470053847 1068545907 /nfs/dbraw/zinc/54/59/07/1068545907.db2.gz QGMDILNYGCQKIY-UHFFFAOYSA-N 1 1 390.406 3.533 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001360640507 1068588227 /nfs/dbraw/zinc/58/82/27/1068588227.db2.gz YBJSIEBWICZKTH-NQIIRXRSSA-N 1 1 395.503 3.896 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001360640507 1068588232 /nfs/dbraw/zinc/58/82/32/1068588232.db2.gz YBJSIEBWICZKTH-NQIIRXRSSA-N 1 1 395.503 3.896 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001360681716 1068598766 /nfs/dbraw/zinc/59/87/66/1068598766.db2.gz JSLFWSBSFAURQT-KRWDZBQOSA-N 1 1 385.489 3.711 20 5 GHBDMO Cc1cnc(CC[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(C)c1 ZINC001460095094 1068780091 /nfs/dbraw/zinc/78/00/91/1068780091.db2.gz AGEMVNLWAWHLAG-UHFFFAOYSA-N 1 1 390.281 3.970 20 5 GHBDMO Cc1cnc(CC[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(C)c1 ZINC001460095094 1068780097 /nfs/dbraw/zinc/78/00/97/1068780097.db2.gz AGEMVNLWAWHLAG-UHFFFAOYSA-N 1 1 390.281 3.970 20 5 GHBDMO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001460902395 1069264005 /nfs/dbraw/zinc/26/40/05/1069264005.db2.gz GKHOLXDOTGOWMH-CQSZACIVSA-N 1 1 387.411 3.593 20 5 GHBDMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001460902395 1069264021 /nfs/dbraw/zinc/26/40/21/1069264021.db2.gz GKHOLXDOTGOWMH-CQSZACIVSA-N 1 1 387.411 3.593 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001471322256 1073018273 /nfs/dbraw/zinc/01/82/73/1073018273.db2.gz RDTQTNFNWHQWKF-DLBZAZTESA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001471322256 1073018285 /nfs/dbraw/zinc/01/82/85/1073018285.db2.gz RDTQTNFNWHQWKF-DLBZAZTESA-N 1 1 382.464 3.572 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC001471687318 1073179545 /nfs/dbraw/zinc/17/95/45/1073179545.db2.gz RHBVSNRUQGKTKC-DLBZAZTESA-N 1 1 377.510 3.796 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC001471687319 1073180030 /nfs/dbraw/zinc/18/00/30/1073180030.db2.gz RHBVSNRUQGKTKC-IAGOWNOFSA-N 1 1 377.510 3.796 20 5 GHBDMO C[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C1CCCC1 ZINC001471823911 1073227379 /nfs/dbraw/zinc/22/73/79/1073227379.db2.gz APVJNGOEEKLMKC-AWEZNQCLSA-N 1 1 379.888 3.656 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC001472723768 1073637236 /nfs/dbraw/zinc/63/72/36/1073637236.db2.gz LTAIRKGNOXCEKG-OAHLLOKOSA-N 1 1 376.457 3.984 20 5 GHBDMO CC[N@H+]1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001472781385 1073663236 /nfs/dbraw/zinc/66/32/36/1073663236.db2.gz JHBVOSOEWRNXMO-MRXNPFEDSA-N 1 1 382.464 3.686 20 5 GHBDMO C[N@H+](Cc1ccccc1)C[C@H](Cn1cccc([N+](=O)[O-])c1=O)c1ccccc1 ZINC001472986585 1073742734 /nfs/dbraw/zinc/74/27/34/1073742734.db2.gz HBVONGICRICKRD-HXUWFJFHSA-N 1 1 377.444 3.672 20 5 GHBDMO Cc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473133724 1073797185 /nfs/dbraw/zinc/79/71/85/1073797185.db2.gz BITVWDJHSFSBOI-IBGZPJMESA-N 1 1 393.487 3.747 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001473154217 1073812514 /nfs/dbraw/zinc/81/25/14/1073812514.db2.gz RTUMLLSYPOTURU-QGZVFWFLSA-N 1 1 396.491 3.518 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](CC)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001473194367 1073845928 /nfs/dbraw/zinc/84/59/28/1073845928.db2.gz BUSNVENIFGKFQG-KRWDZBQOSA-N 1 1 385.464 3.885 20 5 GHBDMO COc1cc(CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC001473196287 1073847431 /nfs/dbraw/zinc/84/74/31/1073847431.db2.gz WSLAOJJLNAMTTJ-INIZCTEOSA-N 1 1 387.455 3.839 20 5 GHBDMO COc1ccc2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C1CCCCC1)C2 ZINC001473225122 1073873625 /nfs/dbraw/zinc/87/36/25/1073873625.db2.gz VBHLSNKSSFYHAU-NRFANRHFSA-N 1 1 384.480 3.807 20 5 GHBDMO CCC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001473304676 1073913305 /nfs/dbraw/zinc/91/33/05/1073913305.db2.gz DFDLQFRGSVYCSK-NRFANRHFSA-N 1 1 383.492 3.960 20 5 GHBDMO O=C1[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccc(F)cc1 ZINC001473486672 1073985905 /nfs/dbraw/zinc/98/59/05/1073985905.db2.gz MQGIYWYUQDYPJJ-OXJNMPFZSA-N 1 1 383.423 3.719 20 5 GHBDMO O=C1[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccc(F)cc1 ZINC001473486672 1073985909 /nfs/dbraw/zinc/98/59/09/1073985909.db2.gz MQGIYWYUQDYPJJ-OXJNMPFZSA-N 1 1 383.423 3.719 20 5 GHBDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001473615539 1074049707 /nfs/dbraw/zinc/04/97/07/1074049707.db2.gz DLQOFDYSAGQNPR-HXUWFJFHSA-N 1 1 389.402 3.865 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001479444682 1079208412 /nfs/dbraw/zinc/20/84/12/1079208412.db2.gz FOVNTWCYMCQOJM-QGZVFWFLSA-N 1 1 390.528 3.852 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(c2ncccn2)CC1 ZINC001473810898 1074155565 /nfs/dbraw/zinc/15/55/65/1074155565.db2.gz PTNDONHTURHHME-UHFFFAOYSA-N 1 1 377.242 3.527 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H]2COc2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC001473834944 1074165552 /nfs/dbraw/zinc/16/55/52/1074165552.db2.gz ZYGVHGMWVPQIRC-HNNXBMFYSA-N 1 1 378.375 3.925 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2COc2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC001473834944 1074165565 /nfs/dbraw/zinc/16/55/65/1074165565.db2.gz ZYGVHGMWVPQIRC-HNNXBMFYSA-N 1 1 378.375 3.925 20 5 GHBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001473894064 1074193459 /nfs/dbraw/zinc/19/34/59/1074193459.db2.gz FMXSEYXCPYPFPB-FOLVSLTJSA-N 1 1 381.860 3.545 20 5 GHBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001473894064 1074193463 /nfs/dbraw/zinc/19/34/63/1074193463.db2.gz FMXSEYXCPYPFPB-FOLVSLTJSA-N 1 1 381.860 3.545 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897351 1074195032 /nfs/dbraw/zinc/19/50/32/1074195032.db2.gz JVINFTODRZHHSS-HZPDHXFCSA-N 1 1 399.495 3.753 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001473898178 1074195988 /nfs/dbraw/zinc/19/59/88/1074195988.db2.gz USKAIURORHDTIV-HOTGVXAUSA-N 1 1 399.495 3.753 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001473898178 1074195991 /nfs/dbraw/zinc/19/59/91/1074195991.db2.gz USKAIURORHDTIV-HOTGVXAUSA-N 1 1 399.495 3.753 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC001474392312 1074382043 /nfs/dbraw/zinc/38/20/43/1074382043.db2.gz RDPWLEGCNJNAJA-UHFFFAOYSA-N 1 1 375.513 3.536 20 5 GHBDMO O=[N+]([O-])c1sc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1Br ZINC001474630765 1074490874 /nfs/dbraw/zinc/49/08/74/1074490874.db2.gz SVHDPXIHFXXEHD-LBPRGKRZSA-N 1 1 388.331 3.915 20 5 GHBDMO O=[N+]([O-])c1sc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cc1Br ZINC001474630765 1074490877 /nfs/dbraw/zinc/49/08/77/1074490877.db2.gz SVHDPXIHFXXEHD-LBPRGKRZSA-N 1 1 388.331 3.915 20 5 GHBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001476363121 1075133713 /nfs/dbraw/zinc/13/37/13/1075133713.db2.gz CIXOBWKWQFZZEH-UHFFFAOYSA-N 1 1 387.278 3.599 20 5 GHBDMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N(C)Cc3ccccc3[N+](=O)[O-])c2c1 ZINC000737249119 599270751 /nfs/dbraw/zinc/27/07/51/599270751.db2.gz RYYFQDLBNKVITK-UHFFFAOYSA-N 1 1 389.419 3.576 20 5 GHBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc([N+](=O)[O-])c(C)n2)CC3)cs1 ZINC001164692914 719803880 /nfs/dbraw/zinc/80/38/80/719803880.db2.gz QMMIQADOXSPMEZ-UHFFFAOYSA-N 1 1 387.509 3.698 20 5 GHBDMO C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000431769703 837416152 /nfs/dbraw/zinc/41/61/52/837416152.db2.gz ITOOKUYYTKTZTH-MRXNPFEDSA-N 1 1 396.491 3.576 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000613234436 837437576 /nfs/dbraw/zinc/43/75/76/837437576.db2.gz YEMMAILOZHZFMC-IFMALSPDSA-N 1 1 395.503 3.896 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471387285 837468532 /nfs/dbraw/zinc/46/85/32/837468532.db2.gz CNEWCNLDKBMYDP-BGYRXZFFSA-N 1 1 393.487 3.724 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431779802 837474848 /nfs/dbraw/zinc/47/48/48/837474848.db2.gz VMOYAOBVRPPAME-CYBMUJFWSA-N 1 1 398.301 3.742 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000180786244 837549920 /nfs/dbraw/zinc/54/99/20/837549920.db2.gz NERYLHXCUAOYHP-CXAGYDPISA-N 1 1 381.423 3.645 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176988625 837713976 /nfs/dbraw/zinc/71/39/76/837713976.db2.gz RCQAKWLBXVQNAU-ZDUSSCGKSA-N 1 1 398.301 3.742 20 5 GHBDMO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128173796 834533382 /nfs/dbraw/zinc/53/33/82/834533382.db2.gz YUPUUZFUYBOJRI-LJQANCHMSA-N 1 1 395.415 3.729 20 5 GHBDMO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128173796 834533386 /nfs/dbraw/zinc/53/33/86/834533386.db2.gz YUPUUZFUYBOJRI-LJQANCHMSA-N 1 1 395.415 3.729 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)Nc1c(C)cccc1C ZINC000163451108 834547586 /nfs/dbraw/zinc/54/75/86/834547586.db2.gz SXBQMLVPUZPSRW-UHFFFAOYSA-N 1 1 398.463 3.501 20 5 GHBDMO O=C(C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000433322507 844013580 /nfs/dbraw/zinc/01/35/80/844013580.db2.gz YAAJNZVXCIPJKT-INIZCTEOSA-N 1 1 385.851 3.627 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000433322507 844013585 /nfs/dbraw/zinc/01/35/85/844013585.db2.gz YAAJNZVXCIPJKT-INIZCTEOSA-N 1 1 385.851 3.627 20 5 GHBDMO Cc1ccc(OCCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000583819064 835089856 /nfs/dbraw/zinc/08/98/56/835089856.db2.gz IPHBFOXWUUOIQA-FQEVSTJZSA-N 1 1 380.448 3.785 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000510090430 835120431 /nfs/dbraw/zinc/12/04/31/835120431.db2.gz WKJKKMAAKFSKBF-AEFFLSMTSA-N 1 1 397.475 3.634 20 5 GHBDMO Cc1cc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)ccc1Br ZINC000430216206 835193724 /nfs/dbraw/zinc/19/37/24/835193724.db2.gz FCBUSUKKLCYQHA-HNNXBMFYSA-N 1 1 379.258 3.699 20 5 GHBDMO Cc1cc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)ccc1Br ZINC000430216206 835193726 /nfs/dbraw/zinc/19/37/26/835193726.db2.gz FCBUSUKKLCYQHA-HNNXBMFYSA-N 1 1 379.258 3.699 20 5 GHBDMO O=C(NCC[NH+]1CCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467934514 844059275 /nfs/dbraw/zinc/05/92/75/844059275.db2.gz ADTBISAIRZTTDE-UHFFFAOYSA-N 1 1 391.880 3.835 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612132325 835588777 /nfs/dbraw/zinc/58/87/77/835588777.db2.gz JVFDGPNFBLLLSC-PWRODBHTSA-N 1 1 393.487 3.554 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3csc([N+](=O)[O-])c3)C2)s1 ZINC000584128962 835672345 /nfs/dbraw/zinc/67/23/45/835672345.db2.gz LYJLKUSJMQHUKW-ZDUSSCGKSA-N 1 1 379.507 3.620 20 5 GHBDMO O=C(CC[N@@H+]1CCCn2c(cc3ccccc32)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000579871863 835791646 /nfs/dbraw/zinc/79/16/46/835791646.db2.gz DHVBICFCXNVQIZ-UHFFFAOYSA-N 1 1 378.432 3.784 20 5 GHBDMO O=C(CC[N@H+]1CCCn2c(cc3ccccc32)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000579871863 835791650 /nfs/dbraw/zinc/79/16/50/835791650.db2.gz DHVBICFCXNVQIZ-UHFFFAOYSA-N 1 1 378.432 3.784 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2ccco2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000411173383 836077156 /nfs/dbraw/zinc/07/71/56/836077156.db2.gz PRHGQPZPVKIFHE-UHFFFAOYSA-N 1 1 387.436 3.970 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CCN2CCC(OC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612410203 836192757 /nfs/dbraw/zinc/19/27/57/836192757.db2.gz DZOXKLXRPZYPKT-NRFANRHFSA-N 1 1 387.480 3.540 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](COCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000173652315 836238875 /nfs/dbraw/zinc/23/88/75/836238875.db2.gz ABFWEWGMMHTUOK-LJQANCHMSA-N 1 1 397.475 3.771 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000411808972 836360057 /nfs/dbraw/zinc/36/00/57/836360057.db2.gz SVRQBTCWVPDGSI-NEPJUHHUSA-N 1 1 389.374 3.595 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000582520949 836375092 /nfs/dbraw/zinc/37/50/92/836375092.db2.gz ATKCKOVPPLMKLT-AGRHKRQWSA-N 1 1 387.867 3.913 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000582520949 836375095 /nfs/dbraw/zinc/37/50/95/836375095.db2.gz ATKCKOVPPLMKLT-AGRHKRQWSA-N 1 1 387.867 3.913 20 5 GHBDMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000411982141 836473648 /nfs/dbraw/zinc/47/36/48/836473648.db2.gz JLPDOGMCGMKLOT-SFHVURJKSA-N 1 1 390.505 3.967 20 5 GHBDMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000411988622 836475412 /nfs/dbraw/zinc/47/54/12/836475412.db2.gz SEAVUFSMYOBMCR-QGZVFWFLSA-N 1 1 390.505 3.967 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247053467 836674956 /nfs/dbraw/zinc/67/49/56/836674956.db2.gz NRGBIDNJUYUVHI-WBVHZDCISA-N 1 1 376.501 3.776 20 5 GHBDMO C[N@H+](CCCOc1cccc(Cl)c1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000510205482 836762162 /nfs/dbraw/zinc/76/21/62/836762162.db2.gz HBSJPBFLYYNCMO-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO C[N@@H+](CCCOc1cccc(Cl)c1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000510205482 836762167 /nfs/dbraw/zinc/76/21/67/836762167.db2.gz HBSJPBFLYYNCMO-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000247085984 836766768 /nfs/dbraw/zinc/76/67/68/836766768.db2.gz XFPQDDMUPUNOKF-KUHUBIRLSA-N 1 1 387.411 3.525 20 5 GHBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000247085984 836766775 /nfs/dbraw/zinc/76/67/75/836766775.db2.gz XFPQDDMUPUNOKF-KUHUBIRLSA-N 1 1 387.411 3.525 20 5 GHBDMO O=[N+]([O-])c1cccc(OCC[N@@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430352732 836766840 /nfs/dbraw/zinc/76/68/40/836766840.db2.gz MSPCUNFAJOGIRA-UHFFFAOYSA-N 1 1 378.432 3.509 20 5 GHBDMO CC(C)(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000471296443 837092146 /nfs/dbraw/zinc/09/21/46/837092146.db2.gz LYUVQEOXLVKWNY-QGZVFWFLSA-N 1 1 399.466 3.650 20 5 GHBDMO C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000579908055 837146523 /nfs/dbraw/zinc/14/65/23/837146523.db2.gz DMUGUNGJUTZCKG-SCLBCKFNSA-N 1 1 375.856 3.771 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000177147826 837892020 /nfs/dbraw/zinc/89/20/20/837892020.db2.gz TWGNFNZILBFAMI-LJQANCHMSA-N 1 1 397.475 3.565 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181308921 837929732 /nfs/dbraw/zinc/92/97/32/837929732.db2.gz QQQHCYVMVBXWET-HNNXBMFYSA-N 1 1 381.411 3.899 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181308921 837929736 /nfs/dbraw/zinc/92/97/36/837929736.db2.gz QQQHCYVMVBXWET-HNNXBMFYSA-N 1 1 381.411 3.899 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000610296661 838202790 /nfs/dbraw/zinc/20/27/90/838202790.db2.gz HBNXLCMVQREJAS-NRFANRHFSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000610297638 838227554 /nfs/dbraw/zinc/22/75/54/838227554.db2.gz OJVXTMPBKNYEJV-LPHOPBHVSA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1Cc1ccccc1 ZINC000535698988 844322616 /nfs/dbraw/zinc/32/26/16/844322616.db2.gz KNMUYUWDTBWNSJ-NVXWUHKLSA-N 1 1 392.459 3.859 20 5 GHBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104682885 838863717 /nfs/dbraw/zinc/86/37/17/838863717.db2.gz NFZXXRNODGTPEU-INIZCTEOSA-N 1 1 377.485 3.510 20 5 GHBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104682885 838863727 /nfs/dbraw/zinc/86/37/27/838863727.db2.gz NFZXXRNODGTPEU-INIZCTEOSA-N 1 1 377.485 3.510 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(Cl)c1 ZINC000182053074 838960806 /nfs/dbraw/zinc/96/08/06/838960806.db2.gz DGASOEPAIDSGBJ-OAHLLOKOSA-N 1 1 389.887 3.946 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(Cl)c1 ZINC000182053074 838960810 /nfs/dbraw/zinc/96/08/10/838960810.db2.gz DGASOEPAIDSGBJ-OAHLLOKOSA-N 1 1 389.887 3.946 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412124556 839731444 /nfs/dbraw/zinc/73/14/44/839731444.db2.gz QEYBLUVGELSXIK-SGLNWRHMSA-N 1 1 385.508 3.811 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610446432 839758337 /nfs/dbraw/zinc/75/83/37/839758337.db2.gz YRHAPPSQVJKJKI-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000549295080 839875900 /nfs/dbraw/zinc/87/59/00/839875900.db2.gz SMDZLQOOCQZCMJ-JOCHJYFZSA-N 1 1 397.475 3.778 20 5 GHBDMO C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000302066574 861191793 /nfs/dbraw/zinc/19/17/93/861191793.db2.gz WHDRCPSYWNJFAZ-NEPJUHHUSA-N 1 1 383.290 3.817 20 5 GHBDMO CC1(C)C[C@@H]([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2cc([N+](=O)[O-])ccc21 ZINC000573438746 844539842 /nfs/dbraw/zinc/53/98/42/844539842.db2.gz YOLJSLSPBXGTTC-BXTJHSDWSA-N 1 1 379.460 3.598 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000511801179 840804389 /nfs/dbraw/zinc/80/43/89/840804389.db2.gz GRWIGFYNMWRKLI-FQEVSTJZSA-N 1 1 381.476 3.554 20 5 GHBDMO C[C@@H]([NH2+]Cc1cn2ccc(Br)cc2n1)c1cccc([N+](=O)[O-])c1 ZINC000581196042 840834085 /nfs/dbraw/zinc/83/40/85/840834085.db2.gz BXHXWQWHCKEDSM-LLVKDONJSA-N 1 1 375.226 3.856 20 5 GHBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312950138 840946368 /nfs/dbraw/zinc/94/63/68/840946368.db2.gz HWTSZOCDFVUWOQ-PBHICJAKSA-N 1 1 387.867 3.889 20 5 GHBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1(c2ccc(Br)cc2)CC1 ZINC001167461762 841385648 /nfs/dbraw/zinc/38/56/48/841385648.db2.gz QYUOFNUBONSDBQ-UHFFFAOYSA-N 1 1 376.254 3.916 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000014929990 841407198 /nfs/dbraw/zinc/40/71/98/841407198.db2.gz KICHNBPIIAGILO-IUODEOHRSA-N 1 1 375.450 3.829 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000014929990 841407206 /nfs/dbraw/zinc/40/72/06/841407206.db2.gz KICHNBPIIAGILO-IUODEOHRSA-N 1 1 375.450 3.829 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000473091791 841413682 /nfs/dbraw/zinc/41/36/82/841413682.db2.gz WZIDAMRXBQKPKW-NRFANRHFSA-N 1 1 396.491 3.609 20 5 GHBDMO C[NH+](C)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000418114706 841515826 /nfs/dbraw/zinc/51/58/26/841515826.db2.gz MLNSIDFKZOZGDO-UHFFFAOYSA-N 1 1 394.269 3.801 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511656169 841722938 /nfs/dbraw/zinc/72/29/38/841722938.db2.gz MGTPWFRSYPVSMO-NJDAHSKKSA-N 1 1 382.460 3.998 20 5 GHBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312694775 841857291 /nfs/dbraw/zinc/85/72/91/841857291.db2.gz NBAWPFIFVREKRS-GOEBONIOSA-N 1 1 387.867 3.889 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC2(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000093460482 842153356 /nfs/dbraw/zinc/15/33/56/842153356.db2.gz RVOFEJRYIVVJBI-UHFFFAOYSA-N 1 1 388.468 3.562 20 5 GHBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000432413943 842423201 /nfs/dbraw/zinc/42/32/01/842423201.db2.gz PDKUGWQGHPGHDT-DLBZAZTESA-N 1 1 381.542 3.556 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000175951571 842448447 /nfs/dbraw/zinc/44/84/47/842448447.db2.gz WZDBLBSEGFLLLX-LJQANCHMSA-N 1 1 397.475 3.647 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[N@H+]1C1CC1 ZINC000490194474 861310340 /nfs/dbraw/zinc/31/03/40/861310340.db2.gz WECNNXBVNLOTJA-NVXWUHKLSA-N 1 1 394.475 3.562 20 5 GHBDMO CC(C)NC(=O)c1ccc(NCCCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000603860162 861311613 /nfs/dbraw/zinc/31/16/13/861311613.db2.gz VQXZPRWRYKAURJ-MRXNPFEDSA-N 1 1 376.501 3.657 20 5 GHBDMO COCC1=CC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000187623162 842743174 /nfs/dbraw/zinc/74/31/74/842743174.db2.gz WVWFXJYNUXYIKO-UHFFFAOYSA-N 1 1 398.459 3.961 20 5 GHBDMO C[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001126212940 842933330 /nfs/dbraw/zinc/93/33/30/842933330.db2.gz YLSRELUUORUJBR-OAHLLOKOSA-N 1 1 389.883 3.818 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(F)c1 ZINC000512246638 843211840 /nfs/dbraw/zinc/21/18/40/843211840.db2.gz XASASOZVUYRVQH-OAQYLSRUSA-N 1 1 387.430 3.971 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)COCc1ccccc1 ZINC000511979446 843513929 /nfs/dbraw/zinc/51/39/29/843513929.db2.gz WKMTVURCJZECMX-HXUWFJFHSA-N 1 1 396.443 3.864 20 5 GHBDMO C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+]1CCC[C@H](C)C1 ZINC000065101308 843703564 /nfs/dbraw/zinc/70/35/64/843703564.db2.gz FHKDWDGVEIVVIB-UONOGXRCSA-N 1 1 388.493 3.569 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432329011 843729249 /nfs/dbraw/zinc/72/92/49/843729249.db2.gz NOJBSXWQTBMIHR-UHFFFAOYSA-N 1 1 386.496 3.718 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429894286 843847383 /nfs/dbraw/zinc/84/73/83/843847383.db2.gz CGISYONWADVJPH-AEFFLSMTSA-N 1 1 381.476 3.824 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc(Br)cs1 ZINC000052847950 844845616 /nfs/dbraw/zinc/84/56/16/844845616.db2.gz BYCQINUTYINNRE-UHFFFAOYSA-N 1 1 398.282 3.879 20 5 GHBDMO CO[C@@H](C)C[N@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000513227726 845093386 /nfs/dbraw/zinc/09/33/86/845093386.db2.gz FLUNHBDIYDECAG-UGSOOPFHSA-N 1 1 391.855 3.895 20 5 GHBDMO CO[C@@H](C)C[N@@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000513227726 845093392 /nfs/dbraw/zinc/09/33/92/845093392.db2.gz FLUNHBDIYDECAG-UGSOOPFHSA-N 1 1 391.855 3.895 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000513392805 845347572 /nfs/dbraw/zinc/34/75/72/845347572.db2.gz YCMDTAACORIOFV-AEFFLSMTSA-N 1 1 390.867 3.695 20 5 GHBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)c2C1 ZINC000182576905 845491938 /nfs/dbraw/zinc/49/19/38/845491938.db2.gz DTDCOGOFQUIRTE-UHFFFAOYSA-N 1 1 383.404 3.547 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182642919 845516406 /nfs/dbraw/zinc/51/64/06/845516406.db2.gz NSKJHKLVOYEKNR-HNNXBMFYSA-N 1 1 398.463 3.883 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182642919 845516473 /nfs/dbraw/zinc/51/64/73/845516473.db2.gz NSKJHKLVOYEKNR-HNNXBMFYSA-N 1 1 398.463 3.883 20 5 GHBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)C2)C1 ZINC000433170791 845571454 /nfs/dbraw/zinc/57/14/54/845571454.db2.gz ZOAOQWRHNOXNMW-OAQYLSRUSA-N 1 1 396.447 3.947 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000478028793 845778028 /nfs/dbraw/zinc/77/80/28/845778028.db2.gz UWHNUXIBNPDCMR-ROUUACIJSA-N 1 1 375.469 3.511 20 5 GHBDMO C[C@H](CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+](C)Cc1ccccc1 ZINC000137252004 846256680 /nfs/dbraw/zinc/25/66/80/846256680.db2.gz PFKNOUYHUDIHME-MRXNPFEDSA-N 1 1 394.475 3.645 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2cnn(-c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000063483314 846370780 /nfs/dbraw/zinc/37/07/80/846370780.db2.gz FYFUXJYOWOXQBG-UHFFFAOYSA-N 1 1 393.447 3.550 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511087799 846548517 /nfs/dbraw/zinc/54/85/17/846548517.db2.gz BOPTWBOKSJNGML-OAHLLOKOSA-N 1 1 395.381 3.655 20 5 GHBDMO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511095013 846705612 /nfs/dbraw/zinc/70/56/12/846705612.db2.gz ZHEHFNCPXKTRIM-HNNXBMFYSA-N 1 1 389.883 3.942 20 5 GHBDMO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511095013 846705622 /nfs/dbraw/zinc/70/56/22/846705622.db2.gz ZHEHFNCPXKTRIM-HNNXBMFYSA-N 1 1 389.883 3.942 20 5 GHBDMO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511095674 846747976 /nfs/dbraw/zinc/74/79/76/846747976.db2.gz LNWMRCKJOSZMMK-OAHLLOKOSA-N 1 1 385.489 3.597 20 5 GHBDMO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511095674 846747980 /nfs/dbraw/zinc/74/79/80/846747980.db2.gz LNWMRCKJOSZMMK-OAHLLOKOSA-N 1 1 385.489 3.597 20 5 GHBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000183274980 847025695 /nfs/dbraw/zinc/02/56/95/847025695.db2.gz KTKGYEUBMIORGN-TZIWHRDSSA-N 1 1 395.459 3.620 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[N@H+](C2CCCC2)CC1 ZINC000599830928 861756697 /nfs/dbraw/zinc/75/66/97/861756697.db2.gz ZVMAGPXLVOGOCJ-UHFFFAOYSA-N 1 1 383.452 3.625 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000599832045 861758854 /nfs/dbraw/zinc/75/88/54/861758854.db2.gz SDEWNLVKEOWEDI-AUUYWEPGSA-N 1 1 395.463 3.624 20 5 GHBDMO Cc1cnc(C2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)s1 ZINC000277626416 847324746 /nfs/dbraw/zinc/32/47/46/847324746.db2.gz YQEIYZBKQBMVKP-UHFFFAOYSA-N 1 1 385.449 3.789 20 5 GHBDMO C[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000502079734 847447177 /nfs/dbraw/zinc/44/71/77/847447177.db2.gz RZSLFLGSCFTGMY-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420944711 847565621 /nfs/dbraw/zinc/56/56/21/847565621.db2.gz JUJVWNYHCVPIBS-LBPRGKRZSA-N 1 1 387.358 3.557 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)CC23CCC3)cc1OC ZINC000420995261 847617138 /nfs/dbraw/zinc/61/71/38/847617138.db2.gz OLIFCLHGERTZJC-DOTOQJQBSA-N 1 1 392.496 3.908 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)CC23CCC3)cc1OC ZINC000420995261 847617145 /nfs/dbraw/zinc/61/71/45/847617145.db2.gz OLIFCLHGERTZJC-DOTOQJQBSA-N 1 1 392.496 3.908 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000421184332 847827665 /nfs/dbraw/zinc/82/76/65/847827665.db2.gz AOKLLDYXIKXCDC-UHFFFAOYSA-N 1 1 393.390 3.641 20 5 GHBDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604127063 861857341 /nfs/dbraw/zinc/85/73/41/861857341.db2.gz HISHNACAKGJMLG-GOSISDBHSA-N 1 1 396.491 3.882 20 5 GHBDMO COc1ccc(CC(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)cc1[N+](=O)[O-] ZINC000582759148 848304958 /nfs/dbraw/zinc/30/49/58/848304958.db2.gz LEWBCENXODUMBK-UHFFFAOYSA-N 1 1 380.404 3.587 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000612093802 848456792 /nfs/dbraw/zinc/45/67/92/848456792.db2.gz PNWYDGYAFIWJJR-ROUUACIJSA-N 1 1 395.459 3.695 20 5 GHBDMO Cc1nc(C[NH+]2CCC(CNc3ncc(Cl)cc3[N+](=O)[O-])CC2)oc1C ZINC000153753498 848985513 /nfs/dbraw/zinc/98/55/13/848985513.db2.gz PVIVZBYXQANSIV-UHFFFAOYSA-N 1 1 379.848 3.572 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278189919 849573544 /nfs/dbraw/zinc/57/35/44/849573544.db2.gz ORRORAOXKZAVDF-MRXNPFEDSA-N 1 1 377.488 3.898 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600470089 862036591 /nfs/dbraw/zinc/03/65/91/862036591.db2.gz FMWKZVAHKCYHRQ-INIZCTEOSA-N 1 1 377.510 3.842 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(OCc4ccccc4)CC3)n2)cc1 ZINC000052314242 849738267 /nfs/dbraw/zinc/73/82/67/849738267.db2.gz XAXMHVOLBJGAPD-UHFFFAOYSA-N 1 1 394.431 3.826 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000434907507 849891377 /nfs/dbraw/zinc/89/13/77/849891377.db2.gz XONCQNJWPMPQPQ-RLFYNMQTSA-N 1 1 383.448 3.808 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000487085179 850437948 /nfs/dbraw/zinc/43/79/48/850437948.db2.gz HPNZNWRVDXPBEQ-CALCHBBNSA-N 1 1 398.507 3.859 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000426529126 850579140 /nfs/dbraw/zinc/57/91/40/850579140.db2.gz JSFCZBQPPHYIHU-QFBILLFUSA-N 1 1 398.459 3.833 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487292924 850639974 /nfs/dbraw/zinc/63/99/74/850639974.db2.gz ATLNLOXSHMSRCN-MAUKXSAKSA-N 1 1 399.516 3.957 20 5 GHBDMO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000184019859 850961824 /nfs/dbraw/zinc/96/18/24/850961824.db2.gz WVDDXQIMPDOKSG-SFHVURJKSA-N 1 1 383.448 3.562 20 5 GHBDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000184019859 850961830 /nfs/dbraw/zinc/96/18/30/850961830.db2.gz WVDDXQIMPDOKSG-SFHVURJKSA-N 1 1 383.448 3.562 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000515409271 850990127 /nfs/dbraw/zinc/99/01/27/850990127.db2.gz MMUPKEHAWJZGAF-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO O=C1[C@@H]([NH+]2CCC(F)(c3ccccc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000434493315 851180147 /nfs/dbraw/zinc/18/01/47/851180147.db2.gz LOHFSNCXPVYZEP-IBGZPJMESA-N 1 1 383.423 3.661 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000425461714 851186171 /nfs/dbraw/zinc/18/61/71/851186171.db2.gz SEHVVAGQXFDKOW-BSNNYGBQSA-N 1 1 397.294 3.946 20 5 GHBDMO COc1cc(C[NH+]2CCC(n3ccc(C)n3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000434512828 851195656 /nfs/dbraw/zinc/19/56/56/851195656.db2.gz WXXWDZWUXURDLS-UHFFFAOYSA-N 1 1 396.394 3.547 20 5 GHBDMO C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+]1CCC[C@@H](C)C1 ZINC000436101681 851200093 /nfs/dbraw/zinc/20/00/93/851200093.db2.gz QMXOKPFRDFQPCT-CVEARBPZSA-N 1 1 377.488 3.532 20 5 GHBDMO Cn1cc([C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000425465097 851206645 /nfs/dbraw/zinc/20/66/45/851206645.db2.gz ZAZMYCDEACGDRU-OAHLLOKOSA-N 1 1 381.274 3.968 20 5 GHBDMO CCn1nccc1C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425476807 851257311 /nfs/dbraw/zinc/25/73/11/851257311.db2.gz MEGMGVQGSMXRMC-UHFFFAOYSA-N 1 1 393.285 3.953 20 5 GHBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436282807 851406463 /nfs/dbraw/zinc/40/64/63/851406463.db2.gz KBZFZVQAQAQGKO-JXFKEZNVSA-N 1 1 388.512 3.699 20 5 GHBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000436282807 851406467 /nfs/dbraw/zinc/40/64/67/851406467.db2.gz KBZFZVQAQAQGKO-JXFKEZNVSA-N 1 1 388.512 3.699 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133835109 851490490 /nfs/dbraw/zinc/49/04/90/851490490.db2.gz JVCSRPMAKJEKDS-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430120950 851582063 /nfs/dbraw/zinc/58/20/63/851582063.db2.gz KXOKRSNNKXBDEV-KXBFYZLASA-N 1 1 386.448 3.528 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000488529256 851586966 /nfs/dbraw/zinc/58/69/66/851586966.db2.gz NYGMSJBHTLTZJJ-SJORKVTESA-N 1 1 377.510 3.700 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000604529883 862282453 /nfs/dbraw/zinc/28/24/53/862282453.db2.gz YAUONOASCNDUBP-UHFFFAOYSA-N 1 1 393.447 3.597 20 5 GHBDMO CC(C)c1ccc(-c2noc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)n2)cc1 ZINC000488982408 851919250 /nfs/dbraw/zinc/91/92/50/851919250.db2.gz LQRUNGZLWMXVSE-UHFFFAOYSA-N 1 1 396.451 3.802 20 5 GHBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000517560149 852097981 /nfs/dbraw/zinc/09/79/81/852097981.db2.gz SGVXPRBTWNDKMB-UHFFFAOYSA-N 1 1 385.439 3.515 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000383040638 852105054 /nfs/dbraw/zinc/10/50/54/852105054.db2.gz NTPNYGMLRQIQCF-INIZCTEOSA-N 1 1 387.867 3.842 20 5 GHBDMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000519575251 852169299 /nfs/dbraw/zinc/16/92/99/852169299.db2.gz KQMXTJCHOUMDJV-ZSZQSSIHSA-N 1 1 387.505 3.959 20 5 GHBDMO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@H+]1C ZINC000489310744 852209646 /nfs/dbraw/zinc/20/96/46/852209646.db2.gz DHYNYQNXOULNPS-NRFANRHFSA-N 1 1 396.491 3.619 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489330144 852236369 /nfs/dbraw/zinc/23/63/69/852236369.db2.gz MZDNDGPDJOOLBU-XLIONFOSSA-N 1 1 396.491 3.928 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489342060 852244877 /nfs/dbraw/zinc/24/48/77/852244877.db2.gz VOPOOVMZWIOKBJ-HOCLYGCPSA-N 1 1 376.501 3.774 20 5 GHBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000425994338 852339837 /nfs/dbraw/zinc/33/98/37/852339837.db2.gz PJJZBJFOIDNCGQ-VXGBXAGGSA-N 1 1 395.253 3.820 20 5 GHBDMO Cc1c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000489524077 852410033 /nfs/dbraw/zinc/41/00/33/852410033.db2.gz JTEUUSIHYIIXNI-YJBOKZPZSA-N 1 1 382.464 3.935 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000489742677 852565223 /nfs/dbraw/zinc/56/52/23/852565223.db2.gz NQPMLPDUCXVUNK-ZDUSSCGKSA-N 1 1 398.385 3.606 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489859290 852612893 /nfs/dbraw/zinc/61/28/93/852612893.db2.gz LULQCESSGNLMNN-VQIMIIECSA-N 1 1 382.464 3.935 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000489931082 852652496 /nfs/dbraw/zinc/65/24/96/852652496.db2.gz PMTSYQQZMRRTAU-IEBWSBKVSA-N 1 1 382.464 3.575 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000489931080 852652575 /nfs/dbraw/zinc/65/25/75/852652575.db2.gz PMTSYQQZMRRTAU-HKUYNNGSSA-N 1 1 382.464 3.575 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NCCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000489914603 852665845 /nfs/dbraw/zinc/66/58/45/852665845.db2.gz NGAFLIREPPTLSG-INIZCTEOSA-N 1 1 376.501 3.918 20 5 GHBDMO Cc1csc(N2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n1 ZINC000507216403 852681648 /nfs/dbraw/zinc/68/16/48/852681648.db2.gz XXXKGCBOYOSCCN-UHFFFAOYSA-N 1 1 384.461 3.942 20 5 GHBDMO Cc1cc2ncn(C[C@@H](O)C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)c2cc1C ZINC000490014562 852724899 /nfs/dbraw/zinc/72/48/99/852724899.db2.gz QRFDFNRZLJEGIK-FQEVSTJZSA-N 1 1 394.475 3.587 20 5 GHBDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000516715113 852932601 /nfs/dbraw/zinc/93/26/01/852932601.db2.gz NXDWJAORCKIOOE-UHFFFAOYSA-N 1 1 388.855 3.906 20 5 GHBDMO COc1cc(CNC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000108427955 853065277 /nfs/dbraw/zinc/06/52/77/853065277.db2.gz QMLGLOAQLLVZGS-SFHVURJKSA-N 1 1 399.491 3.614 20 5 GHBDMO O=C(CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1cccc2ccccc21 ZINC000516896662 853137912 /nfs/dbraw/zinc/13/79/12/853137912.db2.gz PVMBWCRLWGNVBF-UHFFFAOYSA-N 1 1 391.427 3.971 20 5 GHBDMO O=C(CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1cccc2ccccc21 ZINC000516896662 853137917 /nfs/dbraw/zinc/13/79/17/853137917.db2.gz PVMBWCRLWGNVBF-UHFFFAOYSA-N 1 1 391.427 3.971 20 5 GHBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481868140 862432452 /nfs/dbraw/zinc/43/24/52/862432452.db2.gz MWXNMOFNIDJPHW-UTKZUKDTSA-N 1 1 397.450 3.861 20 5 GHBDMO COc1cc(C)c(C[N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC ZINC000506055080 853169956 /nfs/dbraw/zinc/16/99/56/853169956.db2.gz HUMHDGVURUYIOM-UHFFFAOYSA-N 1 1 390.436 3.570 20 5 GHBDMO COc1cc(C)c(C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC ZINC000506055080 853169962 /nfs/dbraw/zinc/16/99/62/853169962.db2.gz HUMHDGVURUYIOM-UHFFFAOYSA-N 1 1 390.436 3.570 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000517009350 853250471 /nfs/dbraw/zinc/25/04/71/853250471.db2.gz OTJMVMWWYBQNOO-HZPDHXFCSA-N 1 1 377.488 3.532 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490760559 853257665 /nfs/dbraw/zinc/25/76/65/853257665.db2.gz UJQPZPZNMHUQNG-NVXWUHKLSA-N 1 1 398.463 3.636 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000506479530 853260877 /nfs/dbraw/zinc/26/08/77/853260877.db2.gz YNLRHQGAXSZSDO-OAHLLOKOSA-N 1 1 383.448 3.605 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000439266637 853484604 /nfs/dbraw/zinc/48/46/04/853484604.db2.gz BHOAVMYVDQBKPA-JOCHJYFZSA-N 1 1 399.491 3.895 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000517203658 853513010 /nfs/dbraw/zinc/51/30/10/853513010.db2.gz ZYBPBPPQVRVUEP-LJQANCHMSA-N 1 1 386.448 3.793 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000586778959 853542083 /nfs/dbraw/zinc/54/20/83/853542083.db2.gz KZGRCAYTMNLJTC-FSSWDIPSSA-N 1 1 382.460 3.868 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000441056592 853858281 /nfs/dbraw/zinc/85/82/81/853858281.db2.gz PCIJDJBXIVKRLG-QRWLVFNGSA-N 1 1 383.448 3.556 20 5 GHBDMO C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458883515 854411540 /nfs/dbraw/zinc/41/15/40/854411540.db2.gz BRKSNQZLHSHEDR-OXJNMPFZSA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000056168475 854497481 /nfs/dbraw/zinc/49/74/81/854497481.db2.gz XLBLBZFDEVORQJ-HOCLYGCPSA-N 1 1 378.432 3.641 20 5 GHBDMO Cc1c(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000589314909 854805162 /nfs/dbraw/zinc/80/51/62/854805162.db2.gz IZFNJKWLKJWHJX-OALUTQOASA-N 1 1 394.475 3.889 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000589485142 854903571 /nfs/dbraw/zinc/90/35/71/854903571.db2.gz ZPDWAFZLKMLVRI-SFHVURJKSA-N 1 1 397.475 3.636 20 5 GHBDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000589494193 854907194 /nfs/dbraw/zinc/90/71/94/854907194.db2.gz IXQVYJGSJFVJQM-HNNXBMFYSA-N 1 1 386.448 3.843 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(COc3ccccc3)CC2)c1 ZINC000589497119 854908902 /nfs/dbraw/zinc/90/89/02/854908902.db2.gz CKDJOUORVGSIPR-UHFFFAOYSA-N 1 1 384.432 3.672 20 5 GHBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000253354858 854941680 /nfs/dbraw/zinc/94/16/80/854941680.db2.gz MUJRIJVEBTZQBK-RTWAWAEBSA-N 1 1 394.475 3.534 20 5 GHBDMO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000482049038 862641195 /nfs/dbraw/zinc/64/11/95/862641195.db2.gz ZIVDUWWCFYFBIW-CTNGQTDRSA-N 1 1 395.459 3.620 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C1CCCCC1 ZINC000131633492 855212561 /nfs/dbraw/zinc/21/25/61/855212561.db2.gz SZQILHWXNMLZOK-LJQANCHMSA-N 1 1 383.448 3.878 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000590034266 855243130 /nfs/dbraw/zinc/24/31/30/855243130.db2.gz LNGQLOHXRAOCFX-SFHVURJKSA-N 1 1 381.476 3.605 20 5 GHBDMO Cc1cc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590135846 855310256 /nfs/dbraw/zinc/31/02/56/855310256.db2.gz YZCXVWOGJKJMAU-ZDUSSCGKSA-N 1 1 386.418 3.502 20 5 GHBDMO Cc1cc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590135846 855310262 /nfs/dbraw/zinc/31/02/62/855310262.db2.gz YZCXVWOGJKJMAU-ZDUSSCGKSA-N 1 1 386.418 3.502 20 5 GHBDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000542702710 855503501 /nfs/dbraw/zinc/50/35/01/855503501.db2.gz QOBNXFSDEGURFE-UHFFFAOYSA-N 1 1 386.448 3.530 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000760810578 855778869 /nfs/dbraw/zinc/77/88/69/855778869.db2.gz JQZPZISXIWKZEU-CYBMUJFWSA-N 1 1 398.301 3.742 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)cc1 ZINC000520629610 855852206 /nfs/dbraw/zinc/85/22/06/855852206.db2.gz UPKLSTPUTQIFDW-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000520660213 855952309 /nfs/dbraw/zinc/95/23/09/855952309.db2.gz JUOGKVZFDNLDEH-ZDUSSCGKSA-N 1 1 395.381 3.864 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000485011607 855991675 /nfs/dbraw/zinc/99/16/75/855991675.db2.gz ATIRJAKWEMQDDC-RYUDHWBXSA-N 1 1 386.399 3.533 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000171701347 856233816 /nfs/dbraw/zinc/23/38/16/856233816.db2.gz RPDCGYAODDVUOE-GOSISDBHSA-N 1 1 376.501 3.635 20 5 GHBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000172019080 856322183 /nfs/dbraw/zinc/32/21/83/856322183.db2.gz KMPBUHRSXXIXQG-AWEZNQCLSA-N 1 1 379.888 3.719 20 5 GHBDMO C[C@@H]1C[N@H+](CCCCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C[C@H](C)O1 ZINC000573570879 856324426 /nfs/dbraw/zinc/32/44/26/856324426.db2.gz NGOMDCCXMHGIGN-VBQJREDUSA-N 1 1 389.418 3.677 20 5 GHBDMO C[N@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C1C2CC3CC(C2)CC1C3 ZINC000126878486 856334984 /nfs/dbraw/zinc/33/49/84/856334984.db2.gz WYPWXEBWMHJVQD-UHFFFAOYSA-N 1 1 394.475 3.533 20 5 GHBDMO C[N@@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C1C2CC3CC(C2)CC1C3 ZINC000126878486 856334993 /nfs/dbraw/zinc/33/49/93/856334993.db2.gz WYPWXEBWMHJVQD-UHFFFAOYSA-N 1 1 394.475 3.533 20 5 GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000591845769 856343975 /nfs/dbraw/zinc/34/39/75/856343975.db2.gz WKTZADZQGKPMMF-ZDUSSCGKSA-N 1 1 399.285 3.769 20 5 GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000591845769 856343987 /nfs/dbraw/zinc/34/39/87/856343987.db2.gz WKTZADZQGKPMMF-ZDUSSCGKSA-N 1 1 399.285 3.769 20 5 GHBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000485361197 856400201 /nfs/dbraw/zinc/40/02/01/856400201.db2.gz VMXLAKZDGZQKAK-UHFFFAOYSA-N 1 1 379.888 3.585 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1 ZINC000172414193 856427566 /nfs/dbraw/zinc/42/75/66/856427566.db2.gz MTGFAHRZMSZORN-UHFFFAOYSA-N 1 1 396.491 3.654 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592189245 856792798 /nfs/dbraw/zinc/79/27/98/856792798.db2.gz YYASNRGIYNQGDF-RXVVDRJESA-N 1 1 380.444 3.728 20 5 GHBDMO CC(C)C[N@H+](CC(N)=O)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508054046 856837638 /nfs/dbraw/zinc/83/76/38/856837638.db2.gz MCLKBJSMECWHPJ-UHFFFAOYSA-N 1 1 391.855 3.984 20 5 GHBDMO CC(C)C[N@@H+](CC(N)=O)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508054046 856837642 /nfs/dbraw/zinc/83/76/42/856837642.db2.gz MCLKBJSMECWHPJ-UHFFFAOYSA-N 1 1 391.855 3.984 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[C@@H](SCC)C2)c([N+](=O)[O-])c1 ZINC000245457711 856874484 /nfs/dbraw/zinc/87/44/84/856874484.db2.gz UKRMAMAQNWFNAA-DZGCQCFKSA-N 1 1 381.498 3.538 20 5 GHBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000245534462 856937538 /nfs/dbraw/zinc/93/75/38/856937538.db2.gz DYUKCQLBCKWWIO-FPOVZHCZSA-N 1 1 395.459 3.620 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cccc4c3OCCO4)o2)c([N+](=O)[O-])c1 ZINC000733331290 862872957 /nfs/dbraw/zinc/87/29/57/862872957.db2.gz JHEPFZVKRSCEDL-UHFFFAOYSA-N 1 1 396.399 3.924 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173969068 857188005 /nfs/dbraw/zinc/18/80/05/857188005.db2.gz AXMOHDBJHCRNSQ-DZGCQCFKSA-N 1 1 387.402 3.779 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000174005845 857196472 /nfs/dbraw/zinc/19/64/72/857196472.db2.gz QDOGIOOWRBVTMQ-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000174005845 857196476 /nfs/dbraw/zinc/19/64/76/857196476.db2.gz QDOGIOOWRBVTMQ-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO CCCCCc1nnc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000429249009 857233763 /nfs/dbraw/zinc/23/37/63/857233763.db2.gz PSCOOAXKWAJEGK-UHFFFAOYSA-N 1 1 391.497 3.642 20 5 GHBDMO COC[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000112990789 857248179 /nfs/dbraw/zinc/24/81/79/857248179.db2.gz HKDXLCTUXXEZOB-LAUBAEHRSA-N 1 1 397.475 3.941 20 5 GHBDMO COC[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000112990789 857248189 /nfs/dbraw/zinc/24/81/89/857248189.db2.gz HKDXLCTUXXEZOB-LAUBAEHRSA-N 1 1 397.475 3.941 20 5 GHBDMO Cc1c(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000174473194 857320574 /nfs/dbraw/zinc/32/05/74/857320574.db2.gz DUGDAABJROGVKC-GOSISDBHSA-N 1 1 382.464 3.889 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246375292 857361223 /nfs/dbraw/zinc/36/12/23/857361223.db2.gz HWGBDCBIRGWERQ-HOTGVXAUSA-N 1 1 379.526 3.560 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246604712 857415428 /nfs/dbraw/zinc/41/54/28/857415428.db2.gz JCZNJPGRNLKYPH-DOTOQJQBSA-N 1 1 398.463 3.507 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246604712 857415435 /nfs/dbraw/zinc/41/54/35/857415435.db2.gz JCZNJPGRNLKYPH-DOTOQJQBSA-N 1 1 398.463 3.507 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592433550 857440169 /nfs/dbraw/zinc/44/01/69/857440169.db2.gz APZXDVPHXISNHM-SJORKVTESA-N 1 1 386.521 3.930 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000175183017 857459457 /nfs/dbraw/zinc/45/94/57/857459457.db2.gz ZLZKFXKWKLBCKM-ZDUSSCGKSA-N 1 1 383.404 3.809 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000175183017 857459466 /nfs/dbraw/zinc/45/94/66/857459466.db2.gz ZLZKFXKWKLBCKM-ZDUSSCGKSA-N 1 1 383.404 3.809 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000175218309 857466805 /nfs/dbraw/zinc/46/68/05/857466805.db2.gz GMKFAZUFRJNWOZ-UHFFFAOYSA-N 1 1 389.496 3.654 20 5 GHBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000521330982 857891292 /nfs/dbraw/zinc/89/12/92/857891292.db2.gz OGCVWYYNLQAVRH-KGLIPLIRSA-N 1 1 397.903 3.642 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000066434503 858119913 /nfs/dbraw/zinc/11/99/13/858119913.db2.gz HCPIGTDPHOPPIN-UHFFFAOYSA-N 1 1 386.839 3.667 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000595017744 858351906 /nfs/dbraw/zinc/35/19/06/858351906.db2.gz OAZJXGTZWRBGEI-LIRRHRJNSA-N 1 1 399.447 3.572 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000595023264 858353753 /nfs/dbraw/zinc/35/37/53/858353753.db2.gz UNWNKVIXIQHIRP-BDJLRTHQSA-N 1 1 395.253 3.750 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc1nccs1 ZINC000595024556 858354865 /nfs/dbraw/zinc/35/48/65/858354865.db2.gz AKMPZOJJWZHWEC-IUODEOHRSA-N 1 1 392.481 3.764 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000595023267 858355155 /nfs/dbraw/zinc/35/51/55/858355155.db2.gz UNWNKVIXIQHIRP-ZBEGNZNMSA-N 1 1 395.253 3.750 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000059402960 858361829 /nfs/dbraw/zinc/36/18/29/858361829.db2.gz IHPBVQCMIPKFME-HXUWFJFHSA-N 1 1 382.464 3.814 20 5 GHBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301869998 858370087 /nfs/dbraw/zinc/37/00/87/858370087.db2.gz OWSVPGJXPOJXMC-UHFFFAOYSA-N 1 1 391.431 3.940 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)n1 ZINC000439103922 858379267 /nfs/dbraw/zinc/37/92/67/858379267.db2.gz ZCRCHGLQBHPIAN-OAHLLOKOSA-N 1 1 398.463 3.763 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000595308220 858467434 /nfs/dbraw/zinc/46/74/34/858467434.db2.gz GDRATFMQLPSRCO-UHFFFAOYSA-N 1 1 383.383 3.559 20 5 GHBDMO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595315702 858469300 /nfs/dbraw/zinc/46/93/00/858469300.db2.gz RWZCMZHAVUFAFV-IBGZPJMESA-N 1 1 377.460 3.737 20 5 GHBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 ZINC000521991533 858514206 /nfs/dbraw/zinc/51/42/06/858514206.db2.gz RIODHNVYYMXCBM-UHFFFAOYSA-N 1 1 399.447 3.564 20 5 GHBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000184896758 858523079 /nfs/dbraw/zinc/52/30/79/858523079.db2.gz XZYBLKKRGASQPY-CQSZACIVSA-N 1 1 380.404 3.929 20 5 GHBDMO Cc1noc(C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000595500303 858546425 /nfs/dbraw/zinc/54/64/25/858546425.db2.gz IANYYWBQEIXSLD-ZDUSSCGKSA-N 1 1 380.242 3.718 20 5 GHBDMO CO[C@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)C1CCCC1 ZINC000595560396 858568219 /nfs/dbraw/zinc/56/82/19/858568219.db2.gz BQBHNKJVOSNGFG-SFHLNBCPSA-N 1 1 376.497 3.906 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000439173112 858658970 /nfs/dbraw/zinc/65/89/70/858658970.db2.gz VMQVZIXEBFKTDG-UHFFFAOYSA-N 1 1 379.819 3.558 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCc2ccc(F)cc21 ZINC000593117541 858660950 /nfs/dbraw/zinc/66/09/50/858660950.db2.gz ZKFBQGRXBMWVMV-ZDUSSCGKSA-N 1 1 382.395 3.946 20 5 GHBDMO COC(=O)c1c(Cl)c(N2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000596060493 858767500 /nfs/dbraw/zinc/76/75/00/858767500.db2.gz AHLTXKVCJJOPGN-MRXNPFEDSA-N 1 1 389.839 3.528 20 5 GHBDMO COC(=O)c1c(Cl)c(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000596060493 858767506 /nfs/dbraw/zinc/76/75/06/858767506.db2.gz AHLTXKVCJJOPGN-MRXNPFEDSA-N 1 1 389.839 3.528 20 5 GHBDMO CC(C)(COCc1ccccc1)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000281495071 863065465 /nfs/dbraw/zinc/06/54/65/863065465.db2.gz UBGWLAKKPWHQCB-UHFFFAOYSA-N 1 1 382.420 3.730 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)ccn1 ZINC000856536500 881350486 /nfs/dbraw/zinc/35/04/86/881350486.db2.gz WAASNCSCKXBIQU-GOSISDBHSA-N 1 1 388.443 3.627 20 5 GHBDMO COc1ccc(C[C@H](C)N[C@H]2CC[N@H+](CC3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319703 881352353 /nfs/dbraw/zinc/35/23/53/881352353.db2.gz YRXCEBJTBSJJRZ-LPHOPBHVSA-N 1 1 375.513 3.779 20 5 GHBDMO COc1ccc(C[C@H](C)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319703 881352381 /nfs/dbraw/zinc/35/23/81/881352381.db2.gz YRXCEBJTBSJJRZ-LPHOPBHVSA-N 1 1 375.513 3.779 20 5 GHBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000482827274 858887639 /nfs/dbraw/zinc/88/76/39/858887639.db2.gz QVJQIPXKKVXVER-SFTDATJTSA-N 1 1 395.459 3.620 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C(F)(F)F)c1 ZINC000596422105 858892125 /nfs/dbraw/zinc/89/21/25/858892125.db2.gz AAPVKNSXXXTXDY-MRXNPFEDSA-N 1 1 395.381 3.792 20 5 GHBDMO Cc1cc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000596424626 858893537 /nfs/dbraw/zinc/89/35/37/858893537.db2.gz UHDAMIJVADIPJT-GOSISDBHSA-N 1 1 392.459 3.630 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2c(Cl)oc3ccccc32)cc1 ZINC000543620544 859045189 /nfs/dbraw/zinc/04/51/89/859045189.db2.gz VWYOWTLRHVSBFT-UHFFFAOYSA-N 1 1 394.836 3.558 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000543632285 859120327 /nfs/dbraw/zinc/12/03/27/859120327.db2.gz RNFBKTDPVPQNDR-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597224317 859375732 /nfs/dbraw/zinc/37/57/32/859375732.db2.gz FMNJOHOGWHTHMH-XLIONFOSSA-N 1 1 384.480 3.776 20 5 GHBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000483844078 859657407 /nfs/dbraw/zinc/65/74/07/859657407.db2.gz ANNZHDWTJAMMDD-NRFANRHFSA-N 1 1 398.438 3.864 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000466518023 859818689 /nfs/dbraw/zinc/81/86/89/859818689.db2.gz XZBNPJYVXQIMSV-ABSDTBQOSA-N 1 1 396.491 3.926 20 5 GHBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000170969261 859948153 /nfs/dbraw/zinc/94/81/53/859948153.db2.gz HUNGAQPZRISGFT-HNNXBMFYSA-N 1 1 385.489 3.818 20 5 GHBDMO Cn1cc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092436182 860046227 /nfs/dbraw/zinc/04/62/27/860046227.db2.gz NHXVFAKRFSRPBI-FQEVSTJZSA-N 1 1 396.447 3.770 20 5 GHBDMO Cn1cc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092436182 860046239 /nfs/dbraw/zinc/04/62/39/860046239.db2.gz NHXVFAKRFSRPBI-FQEVSTJZSA-N 1 1 396.447 3.770 20 5 GHBDMO C[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598195810 860123791 /nfs/dbraw/zinc/12/37/91/860123791.db2.gz TWNZQPAQXTYHCP-LPHOPBHVSA-N 1 1 399.466 3.613 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598196091 860141217 /nfs/dbraw/zinc/14/12/17/860141217.db2.gz ZLWDPBVINPGKDP-KRWDZBQOSA-N 1 1 387.867 3.637 20 5 GHBDMO COc1cc(C[N@@H+](C[C@@H](C)O)C(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093145524 860218025 /nfs/dbraw/zinc/21/80/25/860218025.db2.gz QSSBHTGMPZWNNT-MRXNPFEDSA-N 1 1 388.464 3.774 20 5 GHBDMO Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1[N+](=O)[O-] ZINC000598397308 860280576 /nfs/dbraw/zinc/28/05/76/860280576.db2.gz RMYIQFXAZDHIHK-LJQANCHMSA-N 1 1 393.487 3.935 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598509164 860370119 /nfs/dbraw/zinc/37/01/19/860370119.db2.gz HBDQSLCMRVEXLU-OAHLLOKOSA-N 1 1 393.365 3.618 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598509164 860370127 /nfs/dbraw/zinc/37/01/27/860370127.db2.gz HBDQSLCMRVEXLU-OAHLLOKOSA-N 1 1 393.365 3.618 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598513104 860372598 /nfs/dbraw/zinc/37/25/98/860372598.db2.gz YIJBBIRYEQCXLF-HNNXBMFYSA-N 1 1 393.365 3.618 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598513104 860372603 /nfs/dbraw/zinc/37/26/03/860372603.db2.gz YIJBBIRYEQCXLF-HNNXBMFYSA-N 1 1 393.365 3.618 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cnc(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000602956239 860381030 /nfs/dbraw/zinc/38/10/30/860381030.db2.gz NBJLDHJALZHHQH-VIFPVBQESA-N 1 1 387.408 3.863 20 5 GHBDMO COc1ccccc1C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000053238688 860442611 /nfs/dbraw/zinc/44/26/11/860442611.db2.gz AGCZQSPTWIAJGV-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)cc1 ZINC000155335029 860483129 /nfs/dbraw/zinc/48/31/29/860483129.db2.gz NTVCQFIXSLNACD-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000155563556 860544463 /nfs/dbraw/zinc/54/44/63/860544463.db2.gz FZTKHQYXLNCCHR-LJQANCHMSA-N 1 1 396.491 3.711 20 5 GHBDMO Cc1c(CC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000125007642 860554154 /nfs/dbraw/zinc/55/41/54/860554154.db2.gz ASUITCILZTXOSD-QGZVFWFLSA-N 1 1 381.476 3.569 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000484985880 860576734 /nfs/dbraw/zinc/57/67/34/860576734.db2.gz JLWXYBWCUCCYIU-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000603249340 860586470 /nfs/dbraw/zinc/58/64/70/860586470.db2.gz GWAULHYORNGQHP-VFNWGFHPSA-N 1 1 377.448 3.881 20 5 GHBDMO Cc1c(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000428997002 860636578 /nfs/dbraw/zinc/63/65/78/860636578.db2.gz ROZYUPHUDCEURS-OAHLLOKOSA-N 1 1 383.217 3.628 20 5 GHBDMO CC[N@H+](C)Cc1cc(O[C@H]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594222 881566808 /nfs/dbraw/zinc/56/68/08/881566808.db2.gz XVRORTFCDNHYAY-KKSFZXQISA-N 1 1 384.480 3.656 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594222 881566810 /nfs/dbraw/zinc/56/68/10/881566810.db2.gz XVRORTFCDNHYAY-KKSFZXQISA-N 1 1 384.480 3.656 20 5 GHBDMO COc1ncc(Br)cc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599069595 860775634 /nfs/dbraw/zinc/77/56/34/860775634.db2.gz FCCFYNJHFSXXRO-CQSZACIVSA-N 1 1 378.226 3.538 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599204150 860917763 /nfs/dbraw/zinc/91/77/63/860917763.db2.gz SSJJVSAGPYJXTM-YLJYHZDGSA-N 1 1 386.496 3.501 20 5 GHBDMO C[N@@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2C1 ZINC000182608916 863301275 /nfs/dbraw/zinc/30/12/75/863301275.db2.gz KIYKCTBZEZGFQI-UHFFFAOYSA-N 1 1 391.880 3.819 20 5 GHBDMO C[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2C1 ZINC000182608916 863301283 /nfs/dbraw/zinc/30/12/83/863301283.db2.gz KIYKCTBZEZGFQI-UHFFFAOYSA-N 1 1 391.880 3.819 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000522882182 863651304 /nfs/dbraw/zinc/65/13/04/863651304.db2.gz KKRDUAHAIWSBLT-INIZCTEOSA-N 1 1 382.247 3.934 20 5 GHBDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444243457 863744409 /nfs/dbraw/zinc/74/44/09/863744409.db2.gz PYINMKZXKSWHKE-QGZVFWFLSA-N 1 1 385.464 3.803 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@H](C)C(=O)Nc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000237439482 864385896 /nfs/dbraw/zinc/38/58/96/864385896.db2.gz FQSHZVKZHGLZIE-CQSZACIVSA-N 1 1 395.415 3.980 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000735219930 864687310 /nfs/dbraw/zinc/68/73/10/864687310.db2.gz AKPJCELJBKQISE-QAPCUYQASA-N 1 1 386.473 3.893 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000735219931 864687626 /nfs/dbraw/zinc/68/76/26/864687626.db2.gz AKPJCELJBKQISE-YJBOKZPZSA-N 1 1 386.473 3.893 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@@H](CSc4ccccc4)C3)n2)cc1 ZINC000173402440 864714851 /nfs/dbraw/zinc/71/48/51/864714851.db2.gz MPFBIONQZITISM-MRXNPFEDSA-N 1 1 395.488 3.925 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000480499767 864741481 /nfs/dbraw/zinc/74/14/81/864741481.db2.gz QJGUGCSPXLEBPN-ZWKOTPCHSA-N 1 1 394.475 3.564 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735490664 864826719 /nfs/dbraw/zinc/82/67/19/864826719.db2.gz NFNDSHPJOZAABS-ZDUSSCGKSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735490664 864826732 /nfs/dbraw/zinc/82/67/32/864826732.db2.gz NFNDSHPJOZAABS-ZDUSSCGKSA-N 1 1 383.876 3.985 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)cc1 ZINC000128426712 864833994 /nfs/dbraw/zinc/83/39/94/864833994.db2.gz MIIHNQVBHCCKQK-OAHLLOKOSA-N 1 1 387.411 3.561 20 5 GHBDMO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554834603 865014760 /nfs/dbraw/zinc/01/47/60/865014760.db2.gz KFQMULSGGKYRFT-CRAIPNDOSA-N 1 1 387.505 3.883 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3c(C)cccc3[N+](=O)[O-])C2)s1 ZINC000554863013 865080481 /nfs/dbraw/zinc/08/04/81/865080481.db2.gz UQZQPRBCNLOUSK-INIZCTEOSA-N 1 1 387.505 3.867 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000554908304 865147540 /nfs/dbraw/zinc/14/75/40/865147540.db2.gz LUNMQGJIHRWDOD-MRXNPFEDSA-N 1 1 385.464 3.634 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(C)C ZINC000608839082 865740734 /nfs/dbraw/zinc/74/07/34/865740734.db2.gz YWLJXVUUMLTWTI-UHFFFAOYSA-N 1 1 384.480 3.667 20 5 GHBDMO C[C@H](OC[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000153094464 881927814 /nfs/dbraw/zinc/92/78/14/881927814.db2.gz LSVJMVQSHKWGDF-KBXCAEBGSA-N 1 1 390.867 3.745 20 5 GHBDMO C[C@H](OC[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000153094464 881927831 /nfs/dbraw/zinc/92/78/31/881927831.db2.gz LSVJMVQSHKWGDF-KBXCAEBGSA-N 1 1 390.867 3.745 20 5 GHBDMO CCn1nccc1C[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000475491039 866033981 /nfs/dbraw/zinc/03/39/81/866033981.db2.gz CUCNUHDIAQEONK-UHFFFAOYSA-N 1 1 386.477 3.534 20 5 GHBDMO CCn1nccc1C[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000475491039 866033995 /nfs/dbraw/zinc/03/39/95/866033995.db2.gz CUCNUHDIAQEONK-UHFFFAOYSA-N 1 1 386.477 3.534 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000121435178 866374639 /nfs/dbraw/zinc/37/46/39/866374639.db2.gz FSDRXUHYWVAMJF-DZGCQCFKSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000121435178 866374650 /nfs/dbraw/zinc/37/46/50/866374650.db2.gz FSDRXUHYWVAMJF-DZGCQCFKSA-N 1 1 387.411 3.559 20 5 GHBDMO Cc1c(CNC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000478793744 866643835 /nfs/dbraw/zinc/64/38/35/866643835.db2.gz JFAPDHCJICVFEH-APWZRJJASA-N 1 1 382.464 3.538 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOc3c(Cl)cccc3Cl)C2)nc1 ZINC000440495739 866965584 /nfs/dbraw/zinc/96/55/84/866965584.db2.gz PVIHHSNJCGHXPB-LBPRGKRZSA-N 1 1 397.262 3.862 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOc3c(Cl)cccc3Cl)C2)nc1 ZINC000440495739 866965590 /nfs/dbraw/zinc/96/55/90/866965590.db2.gz PVIHHSNJCGHXPB-LBPRGKRZSA-N 1 1 397.262 3.862 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444624332 866981210 /nfs/dbraw/zinc/98/12/10/866981210.db2.gz DZGUCZIWVWKOFZ-UHFFFAOYSA-N 1 1 390.447 3.926 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1N1CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C1)CCN2 ZINC000553332634 867198367 /nfs/dbraw/zinc/19/83/67/867198367.db2.gz KYMSGHCSTXEEMZ-JOCHJYFZSA-N 1 1 378.476 3.665 20 5 GHBDMO CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183759426 867697759 /nfs/dbraw/zinc/69/77/59/867697759.db2.gz FDTQUCSYABMACO-HXUWFJFHSA-N 1 1 397.475 3.558 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N(C)[C@@H]3CCC[N@@H+](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000479480970 867847239 /nfs/dbraw/zinc/84/72/39/867847239.db2.gz FXCRRKQMUZGURJ-GOSISDBHSA-N 1 1 382.464 3.686 20 5 GHBDMO O=C(C[N@@H+]1CCC2(CCCC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000744421804 868824456 /nfs/dbraw/zinc/82/44/56/868824456.db2.gz GEDLVFCRDRNYOC-UHFFFAOYSA-N 1 1 386.477 3.923 20 5 GHBDMO O=C(C[N@H+]1CCC2(CCCC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000744421804 868824462 /nfs/dbraw/zinc/82/44/62/868824462.db2.gz GEDLVFCRDRNYOC-UHFFFAOYSA-N 1 1 386.477 3.923 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(CCCCCO)CC2)s1 ZINC000524276445 868844780 /nfs/dbraw/zinc/84/47/80/868844780.db2.gz OLJQVPUZAOQTKT-UHFFFAOYSA-N 1 1 389.521 3.604 20 5 GHBDMO COCCC[N@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000109260586 882236575 /nfs/dbraw/zinc/23/65/75/882236575.db2.gz NKCWVWLODGAJOC-SFHVURJKSA-N 1 1 391.855 3.896 20 5 GHBDMO COCCC[N@@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000109260586 882236583 /nfs/dbraw/zinc/23/65/83/882236583.db2.gz NKCWVWLODGAJOC-SFHVURJKSA-N 1 1 391.855 3.896 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000793518394 882237857 /nfs/dbraw/zinc/23/78/57/882237857.db2.gz ULQRMPBMMUSDGL-HXUWFJFHSA-N 1 1 381.476 3.508 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000793518394 882237874 /nfs/dbraw/zinc/23/78/74/882237874.db2.gz ULQRMPBMMUSDGL-HXUWFJFHSA-N 1 1 381.476 3.508 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000462416596 869398921 /nfs/dbraw/zinc/39/89/21/869398921.db2.gz KGTZLQLNAPIBIC-MJGOQNOKSA-N 1 1 395.503 3.727 20 5 GHBDMO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000524684448 869422021 /nfs/dbraw/zinc/42/20/21/869422021.db2.gz KSGHNWPLMWOTSK-OXQOHEQNSA-N 1 1 388.512 4.000 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)[C@@H](C)C1 ZINC000462484570 869527132 /nfs/dbraw/zinc/52/71/32/869527132.db2.gz SKQFXPZDGDZOHA-FUHWJXTLSA-N 1 1 384.480 3.735 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(F)c1 ZINC000539763634 869735311 /nfs/dbraw/zinc/73/53/11/869735311.db2.gz VEHWPDHZYICCCQ-INIZCTEOSA-N 1 1 381.411 3.899 20 5 GHBDMO COc1ccc(C[N@@H+](C)CCSC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539824559 869831017 /nfs/dbraw/zinc/83/10/17/869831017.db2.gz HOUAMHGMYLDTPX-UHFFFAOYSA-N 1 1 376.478 3.977 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441043312 869919952 /nfs/dbraw/zinc/91/99/52/869919952.db2.gz HCKMDISNOIXGLE-QRWLVFNGSA-N 1 1 383.448 3.556 20 5 GHBDMO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000746137913 870070513 /nfs/dbraw/zinc/07/05/13/870070513.db2.gz HSYYEDWSXWGNBJ-QGZVFWFLSA-N 1 1 398.381 3.875 20 5 GHBDMO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000441074331 870211014 /nfs/dbraw/zinc/21/10/14/870211014.db2.gz UIUILWPVLTWOEM-IERDGZPVSA-N 1 1 376.460 3.907 20 5 GHBDMO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000441074331 870211018 /nfs/dbraw/zinc/21/10/18/870211018.db2.gz UIUILWPVLTWOEM-IERDGZPVSA-N 1 1 376.460 3.907 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000462876076 870273253 /nfs/dbraw/zinc/27/32/53/870273253.db2.gz IYOUMQBBTCKKKH-YUXAGFNASA-N 1 1 395.503 3.985 20 5 GHBDMO CC[C@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1c1ccccc1 ZINC000746382871 870589671 /nfs/dbraw/zinc/58/96/71/870589671.db2.gz OVEAHUXTHXPWGQ-MAUKXSAKSA-N 1 1 381.432 3.976 20 5 GHBDMO CC[C@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1c1ccccc1 ZINC000746382871 870589673 /nfs/dbraw/zinc/58/96/73/870589673.db2.gz OVEAHUXTHXPWGQ-MAUKXSAKSA-N 1 1 381.432 3.976 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000766439347 870768988 /nfs/dbraw/zinc/76/89/88/870768988.db2.gz BOVYMMPMCFYIAA-HZPDHXFCSA-N 1 1 394.475 3.579 20 5 GHBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000525656667 871157209 /nfs/dbraw/zinc/15/72/09/871157209.db2.gz QRWRKPVRXGOTNG-NRFANRHFSA-N 1 1 395.503 3.727 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c([N+](=O)[O-])c1 ZINC000463216794 871212847 /nfs/dbraw/zinc/21/28/47/871212847.db2.gz YBRYNZNFYGGMOJ-MJKGWSOKSA-N 1 1 392.496 3.634 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000618665133 871813323 /nfs/dbraw/zinc/81/33/23/871813323.db2.gz GVIOPZRQQNZXGE-QGZVFWFLSA-N 1 1 389.499 3.818 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552047050 871933405 /nfs/dbraw/zinc/93/34/05/871933405.db2.gz YLPBFVCRENFLEF-UXHICEINSA-N 1 1 385.512 3.662 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000182173324 871986264 /nfs/dbraw/zinc/98/62/64/871986264.db2.gz HNZHZVJZEWXGOQ-YOEHRIQHSA-N 1 1 399.472 3.781 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000182173324 871986287 /nfs/dbraw/zinc/98/62/87/871986287.db2.gz HNZHZVJZEWXGOQ-YOEHRIQHSA-N 1 1 399.472 3.781 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182208756 872010149 /nfs/dbraw/zinc/01/01/49/872010149.db2.gz LZOCICYJQAJPAG-CQSZACIVSA-N 1 1 399.944 3.969 20 5 GHBDMO CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000182449401 872350903 /nfs/dbraw/zinc/35/09/03/872350903.db2.gz FSCKFWLNDIGSAA-GOSISDBHSA-N 1 1 398.431 3.778 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC001195808873 872678937 /nfs/dbraw/zinc/67/89/37/872678937.db2.gz DKUAVKCZSRGNRG-LSDHHAIUSA-N 1 1 383.448 3.592 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cc1OC ZINC000541059428 872816934 /nfs/dbraw/zinc/81/69/34/872816934.db2.gz GIPXEAYLEHPOFD-XHSDSOJGSA-N 1 1 380.485 3.621 20 5 GHBDMO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001196021781 872819996 /nfs/dbraw/zinc/81/99/96/872819996.db2.gz HUYRPOOYTBONJV-IBGZPJMESA-N 1 1 388.489 3.822 20 5 GHBDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001196021781 872820000 /nfs/dbraw/zinc/82/00/00/872820000.db2.gz HUYRPOOYTBONJV-IBGZPJMESA-N 1 1 388.489 3.822 20 5 GHBDMO Cc1ccncc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000746487991 872831859 /nfs/dbraw/zinc/83/18/59/872831859.db2.gz UUUALZFLJMHVHU-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000463951615 872941384 /nfs/dbraw/zinc/94/13/84/872941384.db2.gz PBEZFMBDDSGMQT-LPHOPBHVSA-N 1 1 382.464 3.854 20 5 GHBDMO COc1ccc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541105555 872944585 /nfs/dbraw/zinc/94/45/85/872944585.db2.gz BDNJMGTUGUQDHX-YOEHRIQHSA-N 1 1 384.436 3.560 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001127247727 873001482 /nfs/dbraw/zinc/00/14/82/873001482.db2.gz ZIPSGVVMSCXLNU-MSOLQXFVSA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001127247727 873001502 /nfs/dbraw/zinc/00/15/02/873001502.db2.gz ZIPSGVVMSCXLNU-MSOLQXFVSA-N 1 1 381.476 3.947 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 ZINC000619811262 873038304 /nfs/dbraw/zinc/03/83/04/873038304.db2.gz YFWLOSPCFWTVJO-UHFFFAOYSA-N 1 1 393.447 3.609 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000541261312 873231014 /nfs/dbraw/zinc/23/10/14/873231014.db2.gz DVSNWIJEUFTVPQ-QGZVFWFLSA-N 1 1 399.516 3.810 20 5 GHBDMO CCOC(=O)CC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768423418 873295246 /nfs/dbraw/zinc/29/52/46/873295246.db2.gz LZTYGSKDLZMEMX-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000541386775 873491194 /nfs/dbraw/zinc/49/11/94/873491194.db2.gz HSOSHBWDPCKTII-RDJZCZTQSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000541386775 873491198 /nfs/dbraw/zinc/49/11/98/873491198.db2.gz HSOSHBWDPCKTII-RDJZCZTQSA-N 1 1 383.448 3.728 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1Cl ZINC000768670662 873494662 /nfs/dbraw/zinc/49/46/62/873494662.db2.gz XMCVBUVDMNMVMC-MRXNPFEDSA-N 1 1 382.247 3.934 20 5 GHBDMO O=C(CC[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001197264902 873682751 /nfs/dbraw/zinc/68/27/51/873682751.db2.gz PJIREXFIASWUEL-QGZVFWFLSA-N 1 1 398.438 3.547 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CCNC(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543322 873801792 /nfs/dbraw/zinc/80/17/92/873801792.db2.gz GMNJGDGKRYOZBY-NRFANRHFSA-N 1 1 393.443 3.859 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(Nc3ncnc4cccc([N+](=O)[O-])c43)c2)C[C@H](C)O1 ZINC000541577779 873900213 /nfs/dbraw/zinc/90/02/13/873900213.db2.gz YSJSNNCYBFWJAY-GASCZTMLSA-N 1 1 393.447 3.891 20 5 GHBDMO COc1cc(C[NH+]2CCC3(CC2)OCCc2ccsc23)c([N+](=O)[O-])cc1F ZINC000464485164 873944019 /nfs/dbraw/zinc/94/40/19/873944019.db2.gz IJICBOCAGBWYCN-UHFFFAOYSA-N 1 1 392.452 3.868 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)c([N+](=O)[O-])cc1F ZINC000464488300 873949508 /nfs/dbraw/zinc/94/95/08/873949508.db2.gz SPXUNICGAFWJHV-CQSZACIVSA-N 1 1 384.411 3.838 20 5 GHBDMO C[C@H]1COCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000769457816 874083918 /nfs/dbraw/zinc/08/39/18/874083918.db2.gz UWQKBDCGTSRSHA-QGZVFWFLSA-N 1 1 392.459 3.916 20 5 GHBDMO CCC1(CC)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCS1 ZINC000464576900 874108617 /nfs/dbraw/zinc/10/86/17/874108617.db2.gz NXTGYKZHRKMYLX-UHFFFAOYSA-N 1 1 381.498 3.540 20 5 GHBDMO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H](C)CS(C)(=O)=O ZINC000093390197 874334682 /nfs/dbraw/zinc/33/46/82/874334682.db2.gz JGUJEZUAORMGLB-ZDUSSCGKSA-N 1 1 382.507 3.578 20 5 GHBDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H](C)CS(C)(=O)=O ZINC000093390197 874334696 /nfs/dbraw/zinc/33/46/96/874334696.db2.gz JGUJEZUAORMGLB-ZDUSSCGKSA-N 1 1 382.507 3.578 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775847024 874398442 /nfs/dbraw/zinc/39/84/42/874398442.db2.gz XXVFHDWJZKVNDN-VLQPXKRTSA-N 1 1 390.480 3.603 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775847024 874398456 /nfs/dbraw/zinc/39/84/56/874398456.db2.gz XXVFHDWJZKVNDN-VLQPXKRTSA-N 1 1 390.480 3.603 20 5 GHBDMO CC(C)N(C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000464775979 874469477 /nfs/dbraw/zinc/46/94/77/874469477.db2.gz NDCJVNXEKSGADE-UHFFFAOYSA-N 1 1 389.496 3.618 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)s1 ZINC000449435219 874856120 /nfs/dbraw/zinc/85/61/20/874856120.db2.gz VIJYWAKEEYCPHM-KHYOSLBOSA-N 1 1 388.489 3.685 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)ccc1Oc1ccc(F)cc1 ZINC000449478905 874911765 /nfs/dbraw/zinc/91/17/65/874911765.db2.gz YXNGJHQIMLUTFW-SFHVURJKSA-N 1 1 382.338 3.728 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)ccc1Oc1ccc(F)cc1 ZINC000449478905 874911771 /nfs/dbraw/zinc/91/17/71/874911771.db2.gz YXNGJHQIMLUTFW-SFHVURJKSA-N 1 1 382.338 3.728 20 5 GHBDMO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001199430884 874964725 /nfs/dbraw/zinc/96/47/25/874964725.db2.gz QPAPVGIVRZHHOI-UHFFFAOYSA-N 1 1 379.416 3.603 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000449506744 874970588 /nfs/dbraw/zinc/97/05/88/874970588.db2.gz ZMOGXUPIIMLOEG-IBGZPJMESA-N 1 1 381.476 3.811 20 5 GHBDMO CSc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1[N+](=O)[O-] ZINC000542201750 875136650 /nfs/dbraw/zinc/13/66/50/875136650.db2.gz WLTXKOGZEFCXDJ-UHFFFAOYSA-N 1 1 392.506 3.792 20 5 GHBDMO CSc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1[N+](=O)[O-] ZINC000542201750 875136653 /nfs/dbraw/zinc/13/66/53/875136653.db2.gz WLTXKOGZEFCXDJ-UHFFFAOYSA-N 1 1 392.506 3.792 20 5 GHBDMO COc1cc(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000449627818 875149619 /nfs/dbraw/zinc/14/96/19/875149619.db2.gz AUGMDTWPPMYNMM-JKSUJKDBSA-N 1 1 386.395 3.594 20 5 GHBDMO C[C@@H](C1CC1)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000542209902 875185914 /nfs/dbraw/zinc/18/59/14/875185914.db2.gz PONPXBGJUSAORC-INIZCTEOSA-N 1 1 388.489 3.669 20 5 GHBDMO C[C@@H](C1CC1)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000542209902 875185917 /nfs/dbraw/zinc/18/59/17/875185917.db2.gz PONPXBGJUSAORC-INIZCTEOSA-N 1 1 388.489 3.669 20 5 GHBDMO C[C@H]1c2ccc(Cl)n2CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000794437055 875358529 /nfs/dbraw/zinc/35/85/29/875358529.db2.gz VUZOVFQSUISGET-NSHDSACASA-N 1 1 380.807 3.594 20 5 GHBDMO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000794437055 875358536 /nfs/dbraw/zinc/35/85/36/875358536.db2.gz VUZOVFQSUISGET-NSHDSACASA-N 1 1 380.807 3.594 20 5 GHBDMO Cc1c(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000491342618 875495713 /nfs/dbraw/zinc/49/57/13/875495713.db2.gz JXRVIIIBCKECBP-FUHWJXTLSA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1[nH+]ccn1CCOC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000771930448 875534109 /nfs/dbraw/zinc/53/41/09/875534109.db2.gz KOTKGQUPYDLNOQ-CQSZACIVSA-N 1 1 395.419 3.525 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000030268908 875948693 /nfs/dbraw/zinc/94/86/93/875948693.db2.gz ZJUAWWGSYZFZDH-OAHLLOKOSA-N 1 1 389.427 3.770 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)cc1 ZINC000776273779 876136402 /nfs/dbraw/zinc/13/64/02/876136402.db2.gz AKHWZTQENQFNLO-IEBWSBKVSA-N 1 1 376.840 3.825 20 5 GHBDMO O=C(c1cc(F)ccc1F)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776275198 876144179 /nfs/dbraw/zinc/14/41/79/876144179.db2.gz GPZLKVHLSWXPBH-IBGZPJMESA-N 1 1 390.386 3.501 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278916 876162752 /nfs/dbraw/zinc/16/27/52/876162752.db2.gz SGMSATKPIDBTLW-OAQYLSRUSA-N 1 1 380.448 3.583 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)c2C1 ZINC000265931075 876375765 /nfs/dbraw/zinc/37/57/65/876375765.db2.gz ZRJIDJARSAZAKA-UHFFFAOYSA-N 1 1 385.420 3.590 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)c2C1 ZINC000265931075 876375776 /nfs/dbraw/zinc/37/57/76/876375776.db2.gz ZRJIDJARSAZAKA-UHFFFAOYSA-N 1 1 385.420 3.590 20 5 GHBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC000785979754 876381553 /nfs/dbraw/zinc/38/15/53/876381553.db2.gz SSKLUCJUHDHTCW-CQSZACIVSA-N 1 1 388.920 3.899 20 5 GHBDMO CCOc1cc(CNc2cccc([C@H](C)[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000492353022 876672178 /nfs/dbraw/zinc/67/21/78/876672178.db2.gz BYXCFIPLKUFADM-INIZCTEOSA-N 1 1 385.464 3.999 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000109312731 876871119 /nfs/dbraw/zinc/87/11/19/876871119.db2.gz ICNXISBMYPKOPK-TYOLEZHBSA-N 1 1 394.475 3.516 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000443967991 877118905 /nfs/dbraw/zinc/11/89/05/877118905.db2.gz CSPZFJAZRIMQFQ-UHFFFAOYSA-N 1 1 382.464 3.951 20 5 GHBDMO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610001741 877273442 /nfs/dbraw/zinc/27/34/42/877273442.db2.gz RRIAQPBRIHSXBN-OAQYLSRUSA-N 1 1 398.438 3.958 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610060923 877343562 /nfs/dbraw/zinc/34/35/62/877343562.db2.gz WZXVNVOVJYSAJD-UHFFFAOYSA-N 1 1 395.503 3.915 20 5 GHBDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000787323359 877347287 /nfs/dbraw/zinc/34/72/87/877347287.db2.gz WYYFPUJPZCTUND-ZDUSSCGKSA-N 1 1 377.338 3.725 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC001170074668 877460062 /nfs/dbraw/zinc/46/00/62/877460062.db2.gz LBXUUBPNOHOOCP-MRXNPFEDSA-N 1 1 393.484 3.873 20 5 GHBDMO CCOc1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492774431 877527165 /nfs/dbraw/zinc/52/71/65/877527165.db2.gz QUMJTSKXHVMUPA-HXUWFJFHSA-N 1 1 383.492 3.947 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000787809993 877676629 /nfs/dbraw/zinc/67/66/29/877676629.db2.gz AOYHYRNVHMYCDJ-CYBMUJFWSA-N 1 1 376.844 3.890 20 5 GHBDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000179630088 877760252 /nfs/dbraw/zinc/76/02/52/877760252.db2.gz JTFGFMVIVZOOSY-BDJLRTHQSA-N 1 1 393.390 3.950 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000787994284 877763788 /nfs/dbraw/zinc/76/37/88/877763788.db2.gz FWOZRFCPWGLJDS-FQEVSTJZSA-N 1 1 375.469 3.613 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451304700 877781173 /nfs/dbraw/zinc/78/11/73/877781173.db2.gz IZNFBHHBTCHGOD-MRXNPFEDSA-N 1 1 384.354 3.836 20 5 GHBDMO C[N@@H+](CCCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC001275091030 912295394 /nfs/dbraw/zinc/29/53/94/912295394.db2.gz HZBHTLPPICEQNB-UHFFFAOYSA-N 1 1 382.464 3.943 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000451546370 878119566 /nfs/dbraw/zinc/11/95/66/878119566.db2.gz JDGQMQCIDSPGAZ-JKSUJKDBSA-N 1 1 399.413 3.575 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000852176533 878121037 /nfs/dbraw/zinc/12/10/37/878121037.db2.gz FMEOYYVFQPYBAR-IBGZPJMESA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000852176533 878121047 /nfs/dbraw/zinc/12/10/47/878121047.db2.gz FMEOYYVFQPYBAR-IBGZPJMESA-N 1 1 379.432 3.709 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000776575085 878159932 /nfs/dbraw/zinc/15/99/32/878159932.db2.gz NTCKEGDPGZXPSD-LJQANCHMSA-N 1 1 384.432 3.802 20 5 GHBDMO CC[N@@H+](Cc1ccccc1Br)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580351 878191782 /nfs/dbraw/zinc/19/17/82/878191782.db2.gz UOQYGCRJSCNWDL-QGZVFWFLSA-N 1 1 379.254 3.913 20 5 GHBDMO CC[N@H+](Cc1ccccc1Br)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580351 878191790 /nfs/dbraw/zinc/19/17/90/878191790.db2.gz UOQYGCRJSCNWDL-QGZVFWFLSA-N 1 1 379.254 3.913 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581878 878199995 /nfs/dbraw/zinc/19/99/95/878199995.db2.gz IJSWBUSXODJGKX-NRFANRHFSA-N 1 1 398.438 3.722 20 5 GHBDMO COc1cc(C[N@@H+]2CCSC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000451647483 878263215 /nfs/dbraw/zinc/26/32/15/878263215.db2.gz ISPFSPLNYULTIE-CQSZACIVSA-N 1 1 388.436 3.575 20 5 GHBDMO COc1cc(C[N@H+]2CCSC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000451647483 878263226 /nfs/dbraw/zinc/26/32/26/878263226.db2.gz ISPFSPLNYULTIE-CQSZACIVSA-N 1 1 388.436 3.575 20 5 GHBDMO CC(C)OCCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000451953480 878762136 /nfs/dbraw/zinc/76/21/36/878762136.db2.gz TYVWXBLRGPBFIG-UHFFFAOYSA-N 1 1 380.485 3.788 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000853120780 878829448 /nfs/dbraw/zinc/82/94/48/878829448.db2.gz QFWMMWYUEFYWSA-UNMCSNQZSA-N 1 1 395.503 3.520 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000853120780 878829456 /nfs/dbraw/zinc/82/94/56/878829456.db2.gz QFWMMWYUEFYWSA-UNMCSNQZSA-N 1 1 395.503 3.520 20 5 GHBDMO CCC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000538223436 879047419 /nfs/dbraw/zinc/04/74/19/879047419.db2.gz NCFIRGFTBFEFDE-INIZCTEOSA-N 1 1 393.390 3.951 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761516109 879218026 /nfs/dbraw/zinc/21/80/26/879218026.db2.gz YYLOJNVXQPVIGI-TZMCWYRMSA-N 1 1 383.876 3.983 20 5 GHBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761532729 879244556 /nfs/dbraw/zinc/24/45/56/879244556.db2.gz NQASTVGWKZFWJW-UHFFFAOYSA-N 1 1 389.883 3.989 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000493312181 879374940 /nfs/dbraw/zinc/37/49/40/879374940.db2.gz WXYCMHNQOHNUQI-SFHVURJKSA-N 1 1 396.491 3.800 20 5 GHBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000493476486 879469767 /nfs/dbraw/zinc/46/97/67/879469767.db2.gz CUVQIDUHNVJYPZ-FOIQADDNSA-N 1 1 380.448 3.505 20 5 GHBDMO COc1cc(C)ccc1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000493603125 879556913 /nfs/dbraw/zinc/55/69/13/879556913.db2.gz QPEXAFNQFAPNSO-UHFFFAOYSA-N 1 1 396.390 3.854 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790271218 879583124 /nfs/dbraw/zinc/58/31/24/879583124.db2.gz IBKCSZSOFGRDDZ-NRFANRHFSA-N 1 1 381.476 3.996 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031565842 879702465 /nfs/dbraw/zinc/70/24/65/879702465.db2.gz BFRZERIAQAAZOB-WMZOPIPTSA-N 1 1 399.516 3.856 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461439466 879812178 /nfs/dbraw/zinc/81/21/78/879812178.db2.gz ROBZNZNVKGDLSK-SFTDATJTSA-N 1 1 393.487 3.508 20 5 GHBDMO C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000790563968 879821607 /nfs/dbraw/zinc/82/16/07/879821607.db2.gz KENMURQBIHBJKN-CHWSQXEVSA-N 1 1 397.878 3.699 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000494048582 879852465 /nfs/dbraw/zinc/85/24/65/879852465.db2.gz LGTKWZSBOMRSGP-GUXCAODWSA-N 1 1 399.516 3.855 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000494048584 879852918 /nfs/dbraw/zinc/85/29/18/879852918.db2.gz LGTKWZSBOMRSGP-TWOQFEAHSA-N 1 1 399.516 3.855 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494099700 879888471 /nfs/dbraw/zinc/88/84/71/879888471.db2.gz JFJNCBIRFXUTHL-MJGOQNOKSA-N 1 1 389.402 3.827 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494099700 879888478 /nfs/dbraw/zinc/88/84/78/879888478.db2.gz JFJNCBIRFXUTHL-MJGOQNOKSA-N 1 1 389.402 3.827 20 5 GHBDMO COc1cc(F)cc(C[C@@H](C)[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000453414343 880880106 /nfs/dbraw/zinc/88/01/06/880880106.db2.gz YOQJDOLWCUCCRD-VLIAUNLRSA-N 1 1 398.438 3.786 20 5 GHBDMO CCn1cc([C@H](O)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cn1 ZINC000792381041 881089096 /nfs/dbraw/zinc/08/90/96/881089096.db2.gz ZIWZPIUGLZXSCF-JOCHJYFZSA-N 1 1 394.475 3.590 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1Br)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000792457051 881109546 /nfs/dbraw/zinc/10/95/46/881109546.db2.gz FBGPLHRTWORJPT-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1ccc(F)cc1Br)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000792457051 881109549 /nfs/dbraw/zinc/10/95/49/881109549.db2.gz FBGPLHRTWORJPT-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000609383291 883124531 /nfs/dbraw/zinc/12/45/31/883124531.db2.gz LBOPVTGUTHBPBF-MRXNPFEDSA-N 1 1 381.432 3.601 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000609455590 883248603 /nfs/dbraw/zinc/24/86/03/883248603.db2.gz HWHAXGCAQGJPBF-OAHLLOKOSA-N 1 1 377.828 3.626 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000609455590 883248614 /nfs/dbraw/zinc/24/86/14/883248614.db2.gz HWHAXGCAQGJPBF-OAHLLOKOSA-N 1 1 377.828 3.626 20 5 GHBDMO O=C(C[N@@H+]1CC[C@@H](c2ccco2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000609539982 883332369 /nfs/dbraw/zinc/33/23/69/883332369.db2.gz MFMMEDCCWMVGCG-CQSZACIVSA-N 1 1 398.444 3.739 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](c2ccco2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000609539982 883332386 /nfs/dbraw/zinc/33/23/86/883332386.db2.gz MFMMEDCCWMVGCG-CQSZACIVSA-N 1 1 398.444 3.739 20 5 GHBDMO CC[C@H](c1ccncc1)[N@H+](CC)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154765835 884022852 /nfs/dbraw/zinc/02/28/52/884022852.db2.gz NJCFNFHJGFEJGR-QGZVFWFLSA-N 1 1 383.452 3.663 20 5 GHBDMO CC[C@H](c1ccncc1)[N@@H+](CC)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154765835 884022864 /nfs/dbraw/zinc/02/28/64/884022864.db2.gz NJCFNFHJGFEJGR-QGZVFWFLSA-N 1 1 383.452 3.663 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000805795298 884083272 /nfs/dbraw/zinc/08/32/72/884083272.db2.gz KUDZMRQYGKWABQ-GOSISDBHSA-N 1 1 381.498 3.879 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000805795298 884083284 /nfs/dbraw/zinc/08/32/84/884083284.db2.gz KUDZMRQYGKWABQ-GOSISDBHSA-N 1 1 381.498 3.879 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000805765175 884097162 /nfs/dbraw/zinc/09/71/62/884097162.db2.gz KFLHFHAPOBEWPQ-MRXNPFEDSA-N 1 1 393.484 3.873 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC(F)F)cc1 ZINC000026224298 884186373 /nfs/dbraw/zinc/18/63/73/884186373.db2.gz BOMVMMKTFGFZEJ-UHFFFAOYSA-N 1 1 379.363 3.657 20 5 GHBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H]2CCC[C@H]21 ZINC000859953133 884201991 /nfs/dbraw/zinc/20/19/91/884201991.db2.gz KCNFQZQSCPJYAX-MJBXVCDLSA-N 1 1 397.269 3.521 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H]2CCC[C@H]21 ZINC000859953133 884201997 /nfs/dbraw/zinc/20/19/97/884201997.db2.gz KCNFQZQSCPJYAX-MJBXVCDLSA-N 1 1 397.269 3.521 20 5 GHBDMO Cc1c(CC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC001130458493 884263838 /nfs/dbraw/zinc/26/38/38/884263838.db2.gz OIQIVJOPLJLXRE-QXAKKESOSA-N 1 1 395.503 3.956 20 5 GHBDMO C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+]1CCCC[C@H]1C ZINC000498480878 884546201 /nfs/dbraw/zinc/54/62/01/884546201.db2.gz KZCKYNGSVGKMSR-KGLIPLIRSA-N 1 1 388.493 3.711 20 5 GHBDMO CC[N@@H+](CCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001130585537 884550880 /nfs/dbraw/zinc/55/08/80/884550880.db2.gz JVISRZKZMPOHOL-UHFFFAOYSA-N 1 1 388.512 3.944 20 5 GHBDMO CC[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000914735850 884652335 /nfs/dbraw/zinc/65/23/35/884652335.db2.gz XCGZIWJXOFKODN-KRWDZBQOSA-N 1 1 387.867 3.815 20 5 GHBDMO C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272215626 884801739 /nfs/dbraw/zinc/80/17/39/884801739.db2.gz BBSDUKUQADGFCI-GOEBONIOSA-N 1 1 387.867 3.889 20 5 GHBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000914847439 884935014 /nfs/dbraw/zinc/93/50/14/884935014.db2.gz PBWDCANQAUJEST-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000914847439 884935033 /nfs/dbraw/zinc/93/50/33/884935033.db2.gz PBWDCANQAUJEST-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC001130730342 884974084 /nfs/dbraw/zinc/97/40/84/884974084.db2.gz MLQCPBBXDQLKAN-UHFFFAOYSA-N 1 1 390.528 3.539 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428554694 884974847 /nfs/dbraw/zinc/97/48/47/884974847.db2.gz SUMUBOQVITUZQE-FYVGXUMQSA-N 1 1 395.503 3.879 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428554694 884974873 /nfs/dbraw/zinc/97/48/73/884974873.db2.gz SUMUBOQVITUZQE-FYVGXUMQSA-N 1 1 395.503 3.879 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000761921442 884980862 /nfs/dbraw/zinc/98/08/62/884980862.db2.gz ADHDTPGKRCCRQP-UHFFFAOYSA-N 1 1 398.329 3.674 20 5 GHBDMO COc1cccc(C2CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000498673054 885244320 /nfs/dbraw/zinc/24/43/20/885244320.db2.gz CHCHECWWUNYSNG-UHFFFAOYSA-N 1 1 383.448 3.730 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000532471051 885670396 /nfs/dbraw/zinc/67/03/96/885670396.db2.gz FHIXTHKUXQJKBC-LESCRADOSA-N 1 1 375.469 3.833 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000532493414 885854967 /nfs/dbraw/zinc/85/49/67/885854967.db2.gz NJXBDSYDZPKBFB-KRWDZBQOSA-N 1 1 399.422 3.739 20 5 GHBDMO COCC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H](C)c1ccccc1 ZINC000532498535 885878275 /nfs/dbraw/zinc/87/82/75/885878275.db2.gz KNBUXOGPOARVEA-MRXNPFEDSA-N 1 1 399.447 3.602 20 5 GHBDMO COC1CC[NH+](C2(CN[C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCCC2)CC1 ZINC000532515520 885910439 /nfs/dbraw/zinc/91/04/39/885910439.db2.gz TWKHRWIUFHLMOC-KRWDZBQOSA-N 1 1 375.513 3.977 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000806121505 886198066 /nfs/dbraw/zinc/19/80/66/886198066.db2.gz UWBWAHWOEIVEEA-UHFFFAOYSA-N 1 1 380.832 3.827 20 5 GHBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1F ZINC000026256684 886242044 /nfs/dbraw/zinc/24/20/44/886242044.db2.gz CLNATHNUPUDTFN-UHFFFAOYSA-N 1 1 375.400 3.512 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762685599 886705197 /nfs/dbraw/zinc/70/51/97/886705197.db2.gz DLQBWFKOAMDKIT-UHFFFAOYSA-N 1 1 397.450 3.862 20 5 GHBDMO Cc1c(CC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000125248408 886843146 /nfs/dbraw/zinc/84/31/46/886843146.db2.gz SRGSPRHVELSYOB-UZLBHIALSA-N 1 1 387.505 3.707 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272528930 887630780 /nfs/dbraw/zinc/63/07/80/887630780.db2.gz MOIAGADHYIRUMH-MJGOQNOKSA-N 1 1 384.480 3.889 20 5 GHBDMO COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000796032620 913188392 /nfs/dbraw/zinc/18/83/92/913188392.db2.gz FSJFZEXEOYPHTK-LJQANCHMSA-N 1 1 392.839 3.825 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000272588240 887895307 /nfs/dbraw/zinc/89/53/07/887895307.db2.gz ZRVXYPPFVZAJKO-JXFKEZNVSA-N 1 1 378.432 3.574 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000809935570 887987255 /nfs/dbraw/zinc/98/72/55/887987255.db2.gz OHWOTLKYEGESBO-HNNXBMFYSA-N 1 1 388.295 3.588 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000810034680 888114111 /nfs/dbraw/zinc/11/41/11/888114111.db2.gz WZOJDJWZGIFGGN-QGZVFWFLSA-N 1 1 391.468 3.627 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000810034680 888114119 /nfs/dbraw/zinc/11/41/19/888114119.db2.gz WZOJDJWZGIFGGN-QGZVFWFLSA-N 1 1 391.468 3.627 20 5 GHBDMO Cc1cc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(N2CCCC2)[nH+]1 ZINC000810144705 888212355 /nfs/dbraw/zinc/21/23/55/888212355.db2.gz FXWBGEVGUMPYFD-UHFFFAOYSA-N 1 1 389.843 3.874 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000488060616 888561071 /nfs/dbraw/zinc/56/10/71/888561071.db2.gz XIEVMLWIMFZRCI-FXAWDEMLSA-N 1 1 381.476 3.993 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001132306840 888578497 /nfs/dbraw/zinc/57/84/97/888578497.db2.gz KHAOHVLRYPUEKY-JJJJLYANSA-N 1 1 393.487 3.583 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001132306839 888578598 /nfs/dbraw/zinc/57/85/98/888578598.db2.gz KHAOHVLRYPUEKY-GUMYABAYSA-N 1 1 393.487 3.583 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])cc1F ZINC000488064627 888584701 /nfs/dbraw/zinc/58/47/01/888584701.db2.gz MTXBKBBOWYAKQP-UHFFFAOYSA-N 1 1 377.379 3.810 20 5 GHBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000810615710 888682045 /nfs/dbraw/zinc/68/20/45/888682045.db2.gz PQADNYLUCPVORC-OAHLLOKOSA-N 1 1 386.452 3.582 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000796112213 913290646 /nfs/dbraw/zinc/29/06/46/913290646.db2.gz IJHZRGBQFDZAKK-UHFFFAOYSA-N 1 1 396.491 3.698 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000796112213 913290660 /nfs/dbraw/zinc/29/06/60/913290660.db2.gz IJHZRGBQFDZAKK-UHFFFAOYSA-N 1 1 396.491 3.698 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000811467337 889627630 /nfs/dbraw/zinc/62/76/30/889627630.db2.gz KJZBGYJANVPJHT-RDJZCZTQSA-N 1 1 390.461 3.531 20 5 GHBDMO CCC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 ZINC000795066864 889868450 /nfs/dbraw/zinc/86/84/50/889868450.db2.gz ZHJAFDOVJSCRFH-UHFFFAOYSA-N 1 1 397.475 3.908 20 5 GHBDMO CCC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 ZINC000795066864 889868455 /nfs/dbraw/zinc/86/84/55/889868455.db2.gz ZHJAFDOVJSCRFH-UHFFFAOYSA-N 1 1 397.475 3.908 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000533292321 890207054 /nfs/dbraw/zinc/20/70/54/890207054.db2.gz DULXGNSHELGIBC-VHSSKADRSA-N 1 1 395.887 3.712 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000795103211 890268370 /nfs/dbraw/zinc/26/83/70/890268370.db2.gz PPOGITWCYOEEMK-ZBFHGGJFSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000795103211 890268381 /nfs/dbraw/zinc/26/83/81/890268381.db2.gz PPOGITWCYOEEMK-ZBFHGGJFSA-N 1 1 379.432 3.565 20 5 GHBDMO COC(=O)/C=C\c1ccc(NCCCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000917073289 891011871 /nfs/dbraw/zinc/01/18/71/891011871.db2.gz MSFDMKRGCJVMOR-YHWKNFMLSA-N 1 1 375.469 3.705 20 5 GHBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847848 891039624 /nfs/dbraw/zinc/03/96/24/891039624.db2.gz FRBPHLJESWGBFG-LIRRHRJNSA-N 1 1 382.420 3.589 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813097431 891271502 /nfs/dbraw/zinc/27/15/02/891271502.db2.gz GWIJGFHQOWPNOU-HNNXBMFYSA-N 1 1 380.231 3.818 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813097431 891271514 /nfs/dbraw/zinc/27/15/14/891271514.db2.gz GWIJGFHQOWPNOU-HNNXBMFYSA-N 1 1 380.231 3.818 20 5 GHBDMO Cc1ccsc1[C@H]1C[C@@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172640 891333225 /nfs/dbraw/zinc/33/32/25/891333225.db2.gz MDAVUYXMHNHBJV-BZSNNMDCSA-N 1 1 386.473 3.886 20 5 GHBDMO Cc1ccsc1[C@H]1C[C@@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172640 891333239 /nfs/dbraw/zinc/33/32/39/891333239.db2.gz MDAVUYXMHNHBJV-BZSNNMDCSA-N 1 1 386.473 3.886 20 5 GHBDMO CC(C)[C@@H]1C[C@H](CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCO1 ZINC000813172630 891334179 /nfs/dbraw/zinc/33/41/79/891334179.db2.gz PFRTYPDHALGESH-UXPWSPDFSA-N 1 1 390.480 3.554 20 5 GHBDMO CC(C)[C@@H]1C[C@H](CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCO1 ZINC000813172630 891334196 /nfs/dbraw/zinc/33/41/96/891334196.db2.gz PFRTYPDHALGESH-UXPWSPDFSA-N 1 1 390.480 3.554 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NC(C)(C)C ZINC000237420818 891699098 /nfs/dbraw/zinc/69/90/98/891699098.db2.gz GKUIYERMACWGKV-LLVKDONJSA-N 1 1 379.844 3.901 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000067712314 891733321 /nfs/dbraw/zinc/73/33/21/891733321.db2.gz VTWAVBREFITYRX-IBGZPJMESA-N 1 1 381.432 3.694 20 5 GHBDMO O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001185088401 913628479 /nfs/dbraw/zinc/62/84/79/913628479.db2.gz FBNOQBDIAVLHCY-SFHVURJKSA-N 1 1 376.460 3.889 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000154420383 892109246 /nfs/dbraw/zinc/10/92/46/892109246.db2.gz LNDVKEYUFNOYAG-AGHHOFFYSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000154420383 892109260 /nfs/dbraw/zinc/10/92/60/892109260.db2.gz LNDVKEYUFNOYAG-AGHHOFFYSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000154420383 892109275 /nfs/dbraw/zinc/10/92/75/892109275.db2.gz LNDVKEYUFNOYAG-AGHHOFFYSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(N2CCCOC2=O)cc1 ZINC000814657829 893015900 /nfs/dbraw/zinc/01/59/00/893015900.db2.gz SSBUIFADQRDICH-ZDUSSCGKSA-N 1 1 396.403 3.934 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](c4nccc(C(F)(F)F)n4)C3)nc2c1 ZINC000933711482 893160501 /nfs/dbraw/zinc/16/05/01/893160501.db2.gz COVKYBWTYZENSX-SNVBAGLBSA-N 1 1 393.325 3.534 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](c4nccc(C(F)(F)F)n4)C3)nc2c1 ZINC000933711482 893160512 /nfs/dbraw/zinc/16/05/12/893160512.db2.gz COVKYBWTYZENSX-SNVBAGLBSA-N 1 1 393.325 3.534 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+][C@H](CCO)c2cccs2)cc1Br ZINC000877050726 893458141 /nfs/dbraw/zinc/45/81/41/893458141.db2.gz OTIGSCKWWSCOCL-SNVBAGLBSA-N 1 1 377.285 3.694 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498188726 893529647 /nfs/dbraw/zinc/52/96/47/893529647.db2.gz YAFOAUABWIYFDU-RDJZCZTQSA-N 1 1 390.443 3.708 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934335511 893555343 /nfs/dbraw/zinc/55/53/43/893555343.db2.gz IRBUMQADYWCSRD-QWHCGFSZSA-N 1 1 385.449 3.727 20 5 GHBDMO O=C(c1ccccc1Cl)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000934421459 893627980 /nfs/dbraw/zinc/62/79/80/893627980.db2.gz PYTHBEHJZZPOEY-IBGZPJMESA-N 1 1 388.851 3.877 20 5 GHBDMO COCc1cccc(OCC2(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)CC2)c1 ZINC000536733242 893647515 /nfs/dbraw/zinc/64/75/15/893647515.db2.gz XPXBLRNQDWCZHP-UHFFFAOYSA-N 1 1 382.460 3.959 20 5 GHBDMO CCOc1ccc(CC[N@@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000934720355 893845797 /nfs/dbraw/zinc/84/57/97/893845797.db2.gz XFXZHEJYRNBDGI-UHFFFAOYSA-N 1 1 382.420 3.718 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)o1 ZINC000878136802 894044255 /nfs/dbraw/zinc/04/42/55/894044255.db2.gz ITTCCNTWULFQLN-KRWDZBQOSA-N 1 1 394.431 3.684 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459674150 894046258 /nfs/dbraw/zinc/04/62/58/894046258.db2.gz KFGIHTHVJQEJJO-MJGOQNOKSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459674151 894047181 /nfs/dbraw/zinc/04/71/81/894047181.db2.gz KFGIHTHVJQEJJO-PKOBYXMFSA-N 1 1 383.448 3.810 20 5 GHBDMO Cc1ccc(Sc2ccc(C[NH2+][C@@H](CO)c3ccnn3C)cc2[N+](=O)[O-])cc1 ZINC000459705393 894068411 /nfs/dbraw/zinc/06/84/11/894068411.db2.gz IDXXPMWEAVYSIP-KRWDZBQOSA-N 1 1 398.488 3.611 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000935014018 894117967 /nfs/dbraw/zinc/11/79/67/894117967.db2.gz VQTSHXFZVLJVOW-KSSFIOAISA-N 1 1 391.899 3.656 20 5 GHBDMO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774863367 913846328 /nfs/dbraw/zinc/84/63/28/913846328.db2.gz MLYVSVHFZKXJHK-OAHLLOKOSA-N 1 1 396.447 3.919 20 5 GHBDMO COc1cc(C[N@H+](C)[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000563843526 894253474 /nfs/dbraw/zinc/25/34/74/894253474.db2.gz SIWMBFQIBRSVLH-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000563843526 894253490 /nfs/dbraw/zinc/25/34/90/894253490.db2.gz SIWMBFQIBRSVLH-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000459987708 894488700 /nfs/dbraw/zinc/48/87/00/894488700.db2.gz MSRRZFSRYQDGFX-NILFDRSVSA-N 1 1 399.413 3.781 20 5 GHBDMO CO[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1(C)C ZINC000878679131 894506809 /nfs/dbraw/zinc/50/68/09/894506809.db2.gz TYGVXPKMVNKBQL-CQSZACIVSA-N 1 1 380.832 3.545 20 5 GHBDMO CO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1(C)C ZINC000878679131 894506810 /nfs/dbraw/zinc/50/68/10/894506810.db2.gz TYGVXPKMVNKBQL-CQSZACIVSA-N 1 1 380.832 3.545 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000537207686 894558274 /nfs/dbraw/zinc/55/82/74/894558274.db2.gz DHOBORNRSUQIKK-UHFFFAOYSA-N 1 1 389.496 3.722 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000564498295 895037934 /nfs/dbraw/zinc/03/79/34/895037934.db2.gz QJYXMGFYDSYGMV-ROUUACIJSA-N 1 1 380.448 3.581 20 5 GHBDMO COc1c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000476086138 895144601 /nfs/dbraw/zinc/14/46/01/895144601.db2.gz XJXJVKOJNNNZPZ-WMZOPIPTSA-N 1 1 397.475 3.729 20 5 GHBDMO COc1cc(C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000564665188 895165159 /nfs/dbraw/zinc/16/51/59/895165159.db2.gz GLIMPTPZBRFDOW-UHFFFAOYSA-N 1 1 377.828 3.695 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000880249578 895593722 /nfs/dbraw/zinc/59/37/22/895593722.db2.gz XBFCSZNCTVFDAO-INIZCTEOSA-N 1 1 393.447 3.524 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817424737 895614391 /nfs/dbraw/zinc/61/43/91/895614391.db2.gz SKRABNAWLJXCEE-ICSRJNTNSA-N 1 1 379.460 3.968 20 5 GHBDMO C[C@@H]1C[C@@H]([NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CO1 ZINC000565950510 896004065 /nfs/dbraw/zinc/00/40/65/896004065.db2.gz GEQUWRWRQKIMOG-DFHBCGBQSA-N 1 1 389.839 3.695 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000024894041 896565084 /nfs/dbraw/zinc/56/50/84/896565084.db2.gz LVBKIRABVWEDAT-UHFFFAOYSA-N 1 1 390.827 3.869 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000024894041 896565095 /nfs/dbraw/zinc/56/50/95/896565095.db2.gz LVBKIRABVWEDAT-UHFFFAOYSA-N 1 1 390.827 3.869 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)sc2C1 ZINC000819677911 896900177 /nfs/dbraw/zinc/90/01/77/896900177.db2.gz FUQQZNSKTPWCPP-UHFFFAOYSA-N 1 1 396.419 3.738 20 5 GHBDMO O=[N+]([O-])c1c(NCc2ccc(C[NH+]3CCOCC3)cc2)ccc2ncccc21 ZINC000042110080 897158241 /nfs/dbraw/zinc/15/82/41/897158241.db2.gz WWZCRARWLWNHDH-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883287729 897449171 /nfs/dbraw/zinc/44/91/71/897449171.db2.gz CJNLGCWOXQQGQU-UHFFFAOYSA-N 1 1 381.274 3.505 20 5 GHBDMO CC(C)(C)c1ncc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000883288178 897451025 /nfs/dbraw/zinc/45/10/25/897451025.db2.gz UVIWDVKVUUGYPD-UHFFFAOYSA-N 1 1 379.258 3.735 20 5 GHBDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cc1O ZINC000883295586 897464643 /nfs/dbraw/zinc/46/46/43/897464643.db2.gz MSINUWFCBAUGQQ-SNVBAGLBSA-N 1 1 381.226 3.922 20 5 GHBDMO CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000568916421 898209239 /nfs/dbraw/zinc/20/92/39/898209239.db2.gz YWMWRAXYIWRAEX-KRWDZBQOSA-N 1 1 387.436 3.634 20 5 GHBDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000568916421 898209255 /nfs/dbraw/zinc/20/92/55/898209255.db2.gz YWMWRAXYIWRAEX-KRWDZBQOSA-N 1 1 387.436 3.634 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)c1 ZINC000289624929 914268873 /nfs/dbraw/zinc/26/88/73/914268873.db2.gz RPCYXOVKLWUCSJ-XLIONFOSSA-N 1 1 383.448 3.826 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823243347 898937996 /nfs/dbraw/zinc/93/79/96/898937996.db2.gz JIQGLEHZJONYQI-FUHWJXTLSA-N 1 1 378.469 3.605 20 5 GHBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000570135416 899148307 /nfs/dbraw/zinc/14/83/07/899148307.db2.gz PAOXLOJQPPUAQG-INIZCTEOSA-N 1 1 384.480 3.665 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000331793144 899168301 /nfs/dbraw/zinc/16/83/01/899168301.db2.gz KPUYAQXGVLJZAZ-HZPDHXFCSA-N 1 1 390.484 3.722 20 5 GHBDMO C[C@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000118029512 899404450 /nfs/dbraw/zinc/40/44/50/899404450.db2.gz RJWMQUSEHJTVHS-HOTGVXAUSA-N 1 1 398.463 3.871 20 5 GHBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000824827952 899851003 /nfs/dbraw/zinc/85/10/03/899851003.db2.gz JYHQZTOBPTVJHX-CABCVRRESA-N 1 1 399.413 3.561 20 5 GHBDMO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000121137717 899962501 /nfs/dbraw/zinc/96/25/01/899962501.db2.gz ILBHETVJXYNQOF-LLVKDONJSA-N 1 1 382.873 3.596 20 5 GHBDMO CC[N@@H+](CCc1nccs1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000121137717 899962514 /nfs/dbraw/zinc/96/25/14/899962514.db2.gz ILBHETVJXYNQOF-LLVKDONJSA-N 1 1 382.873 3.596 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)c1ccccc1Br ZINC000825305607 900081479 /nfs/dbraw/zinc/08/14/79/900081479.db2.gz OXVOSBFDDXPKPF-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)c1ccccc1Br ZINC000825305607 900081490 /nfs/dbraw/zinc/08/14/90/900081490.db2.gz OXVOSBFDDXPKPF-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000844471908 900905968 /nfs/dbraw/zinc/90/59/68/900905968.db2.gz IAWXGAKGXAVFCK-UFYCRDLUSA-N 1 1 383.404 3.998 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000844471908 900905974 /nfs/dbraw/zinc/90/59/74/900905974.db2.gz IAWXGAKGXAVFCK-UFYCRDLUSA-N 1 1 383.404 3.998 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778982583 902462555 /nfs/dbraw/zinc/46/25/55/902462555.db2.gz USPOKBLKAWCUDH-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778982583 902462560 /nfs/dbraw/zinc/46/25/60/902462560.db2.gz USPOKBLKAWCUDH-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001186640079 914698243 /nfs/dbraw/zinc/69/82/43/914698243.db2.gz WQZJRDXTZIAAJC-YJBOKZPZSA-N 1 1 392.459 3.522 20 5 GHBDMO O=C(CC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1)NC1CCCC1 ZINC000601107760 903339924 /nfs/dbraw/zinc/33/99/24/903339924.db2.gz FBNNNKXSMXLQGF-UHFFFAOYSA-N 1 1 382.464 3.808 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1F ZINC000847046890 903433212 /nfs/dbraw/zinc/43/32/12/903433212.db2.gz GPYFEQRJJBSJDD-AWEZNQCLSA-N 1 1 381.423 3.708 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@H]1Cc1ccccc1F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171792578 905051720 /nfs/dbraw/zinc/05/17/20/905051720.db2.gz VJCKBMNIFABSGS-SFHVURJKSA-N 1 1 397.450 3.720 20 5 GHBDMO O=C(C[N@H+]1CCCC[C@H]1Cc1ccccc1F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171792578 905051739 /nfs/dbraw/zinc/05/17/39/905051739.db2.gz VJCKBMNIFABSGS-SFHVURJKSA-N 1 1 397.450 3.720 20 5 GHBDMO CC(C)OCc1nc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000290930698 914874862 /nfs/dbraw/zinc/87/48/62/914874862.db2.gz OWXXWVVSWWVWPD-UXLLHSPISA-N 1 1 388.468 3.965 20 5 GHBDMO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)O2)n1 ZINC001172906062 905931523 /nfs/dbraw/zinc/93/15/23/905931523.db2.gz FXHZEBKGHPHZBP-VBSBHUPXSA-N 1 1 398.463 3.528 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCCN(c3ccc(F)cn3)CC1)CC2 ZINC001172907520 905935263 /nfs/dbraw/zinc/93/52/63/905935263.db2.gz GRJZBPUFTZRCEQ-LJQANCHMSA-N 1 1 384.455 3.589 20 5 GHBDMO COc1ccnc(N(C2CC[NH2+]CC2)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172913897 905984272 /nfs/dbraw/zinc/98/42/72/905984272.db2.gz VOPYETCGYRVREJ-SFHVURJKSA-N 1 1 396.491 3.504 20 5 GHBDMO C[N@@H+](CCOc1ccccc1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173013066 906090943 /nfs/dbraw/zinc/09/09/43/906090943.db2.gz MCLZACLXROPIAN-UHFFFAOYSA-N 1 1 391.418 3.853 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCc4cc(O)ccc4C3)CC2)c(F)c1 ZINC001173014158 906092490 /nfs/dbraw/zinc/09/24/90/906092490.db2.gz OTYWIMNVQFCKDL-UHFFFAOYSA-N 1 1 389.402 3.606 20 5 GHBDMO COC(C)(C)[C@H]1CCC[N@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017844 906095305 /nfs/dbraw/zinc/09/53/05/906095305.db2.gz KBWQRKZZZCGTGQ-QGZVFWFLSA-N 1 1 383.439 3.731 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)c1F ZINC001173181395 906261422 /nfs/dbraw/zinc/26/14/22/906261422.db2.gz PJABEVPFPVWYMU-ZLIFDBKOSA-N 1 1 384.407 3.585 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1F ZINC001173185988 906266172 /nfs/dbraw/zinc/26/61/72/906266172.db2.gz QMXJXNSIQBRNGY-AWEZNQCLSA-N 1 1 391.418 3.635 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2CC[NH+](C3CCCC3)CC2)c1F ZINC001173184951 906266424 /nfs/dbraw/zinc/26/64/24/906266424.db2.gz SXUUDEOTPQWLEP-CQSZACIVSA-N 1 1 379.476 3.670 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc(OC)c1 ZINC001173189255 906269533 /nfs/dbraw/zinc/26/95/33/906269533.db2.gz JXLLCEGJLMXFHA-CYBMUJFWSA-N 1 1 392.427 3.823 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001173218896 906296640 /nfs/dbraw/zinc/29/66/40/906296640.db2.gz SRAWIRRBXGTXJU-BBRMVZONSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001173223457 906304138 /nfs/dbraw/zinc/30/41/38/906304138.db2.gz FXUQKSAOYLGBMO-WMZHIEFXSA-N 1 1 395.503 3.897 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001173223833 906305396 /nfs/dbraw/zinc/30/53/96/906305396.db2.gz DBXGSKUZYHPKCU-QRWLVFNGSA-N 1 1 385.489 3.716 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001173225317 906308022 /nfs/dbraw/zinc/30/80/22/906308022.db2.gz JGPFGVQBNRKMPH-HNNXBMFYSA-N 1 1 394.431 3.546 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001173226859 906309690 /nfs/dbraw/zinc/30/96/90/906309690.db2.gz MHWWTJJUNHQJEX-HNNXBMFYSA-N 1 1 394.431 3.546 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001173228589 906313404 /nfs/dbraw/zinc/31/34/04/906313404.db2.gz RLNXHHATKNNULJ-QGCDCVKKSA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001173228589 906313411 /nfs/dbraw/zinc/31/34/11/906313411.db2.gz RLNXHHATKNNULJ-QGCDCVKKSA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001173228589 906313419 /nfs/dbraw/zinc/31/34/19/906313419.db2.gz RLNXHHATKNNULJ-QGCDCVKKSA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173233833 906320818 /nfs/dbraw/zinc/32/08/18/906320818.db2.gz ZKNVJDBIAFDLOX-VKJFTORMSA-N 1 1 377.485 3.761 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001173237449 906347979 /nfs/dbraw/zinc/34/79/79/906347979.db2.gz JYXWFHQPPXLWDT-PXNSSMCTSA-N 1 1 382.460 3.981 20 5 GHBDMO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000178815748 906389602 /nfs/dbraw/zinc/38/96/02/906389602.db2.gz OXDRNKWGTKMFCL-MRXNPFEDSA-N 1 1 397.460 3.552 20 5 GHBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181667130 907051308 /nfs/dbraw/zinc/05/13/08/907051308.db2.gz DMUHQZITSGMVDM-DZGCQCFKSA-N 1 1 379.888 3.560 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001174604324 907130972 /nfs/dbraw/zinc/13/09/72/907130972.db2.gz PPIULCKIZNWAAI-GOSISDBHSA-N 1 1 391.265 3.841 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001174604324 907130977 /nfs/dbraw/zinc/13/09/77/907130977.db2.gz PPIULCKIZNWAAI-GOSISDBHSA-N 1 1 391.265 3.841 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])cc1OC(F)F ZINC000184018926 907501265 /nfs/dbraw/zinc/50/12/65/907501265.db2.gz ODNNDUYSBSARFA-JTQLQIEISA-N 1 1 387.408 3.897 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC001175580646 907645079 /nfs/dbraw/zinc/64/50/79/907645079.db2.gz XNAMCTXTOQZSFU-GJZGRUSLSA-N 1 1 381.498 3.878 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)C1 ZINC001175580646 907645088 /nfs/dbraw/zinc/64/50/88/907645088.db2.gz XNAMCTXTOQZSFU-GJZGRUSLSA-N 1 1 381.498 3.878 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(C)c(C)c1 ZINC001176201854 907980630 /nfs/dbraw/zinc/98/06/30/907980630.db2.gz HTULWVRKAPEYMD-UHFFFAOYSA-N 1 1 399.491 3.997 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H](c4ccsc4)[C@H](CO)C3)o2)c1 ZINC000188164704 908184251 /nfs/dbraw/zinc/18/42/51/908184251.db2.gz XIYLCZQTJITACR-WMZOPIPTSA-N 1 1 399.472 3.562 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001176849070 908292604 /nfs/dbraw/zinc/29/26/04/908292604.db2.gz JUNXQWHOZAMJDT-FQEVSTJZSA-N 1 1 375.469 3.613 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000773623653 908458624 /nfs/dbraw/zinc/45/86/24/908458624.db2.gz IJWNIASBLNCCRW-UHFFFAOYSA-N 1 1 381.498 3.879 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000773623653 908458632 /nfs/dbraw/zinc/45/86/32/908458632.db2.gz IJWNIASBLNCCRW-UHFFFAOYSA-N 1 1 381.498 3.879 20 5 GHBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000193669461 908614531 /nfs/dbraw/zinc/61/45/31/908614531.db2.gz NCIVBJNZSJSGNO-HNNXBMFYSA-N 1 1 398.246 3.817 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC001178806018 909236322 /nfs/dbraw/zinc/23/63/22/909236322.db2.gz OKLGHKZVJZJTSE-OAHLLOKOSA-N 1 1 385.645 3.834 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000246225857 910193633 /nfs/dbraw/zinc/19/36/33/910193633.db2.gz FGXCNZCABKTGSC-QAPCUYQASA-N 1 1 387.505 3.843 20 5 GHBDMO C[C@@H](C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12)N1CCCC1 ZINC001180581673 910228650 /nfs/dbraw/zinc/22/86/50/910228650.db2.gz BJNXDADUZHIQPO-AWEZNQCLSA-N 1 1 386.455 3.988 20 5 GHBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246334650 910239519 /nfs/dbraw/zinc/23/95/19/910239519.db2.gz TVOCJVLMSIEYFU-SQNIBIBYSA-N 1 1 397.258 3.525 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)cc1[N+](=O)[O-] ZINC000271162366 910799495 /nfs/dbraw/zinc/79/94/95/910799495.db2.gz SIIPOIIYNRPWMN-CYBMUJFWSA-N 1 1 390.436 3.870 20 5 GHBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001181984095 911109134 /nfs/dbraw/zinc/10/91/34/911109134.db2.gz NRGQGGYCRBLUDH-OAHLLOKOSA-N 1 1 392.503 3.625 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000802010890 921751904 /nfs/dbraw/zinc/75/19/04/921751904.db2.gz JVLQYRBKKYBAJN-GOSISDBHSA-N 1 1 381.498 3.879 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000802010890 921751918 /nfs/dbraw/zinc/75/19/18/921751918.db2.gz JVLQYRBKKYBAJN-GOSISDBHSA-N 1 1 381.498 3.879 20 5 GHBDMO CN(C)c1cc[nH+]c(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c1 ZINC001187624170 915393695 /nfs/dbraw/zinc/39/36/95/915393695.db2.gz APCKAEHKVMSREU-UHFFFAOYSA-N 1 1 379.420 3.642 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292885741 915888285 /nfs/dbraw/zinc/88/82/85/915888285.db2.gz WCPPCTPXPZGFCA-CQSZACIVSA-N 1 1 393.365 3.618 20 5 GHBDMO Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000796410792 916647793 /nfs/dbraw/zinc/64/77/93/916647793.db2.gz YWAABPVEHJRHBX-NRFANRHFSA-N 1 1 398.459 3.715 20 5 GHBDMO COC[C@@H](C)[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000006840114 917719737 /nfs/dbraw/zinc/71/97/37/917719737.db2.gz RCHJVKGCSFNCLZ-SJKOYZFVSA-N 1 1 377.828 3.553 20 5 GHBDMO O=[N+]([O-])c1cccc(OCCN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC001191359715 917960605 /nfs/dbraw/zinc/96/06/05/917960605.db2.gz XLFIMSMEJPKFIL-HSZRJFAPSA-N 1 1 395.503 3.962 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC001191822691 918246642 /nfs/dbraw/zinc/24/66/42/918246642.db2.gz YBPQNFGOEYGNNN-ZWKOTPCHSA-N 1 1 377.485 3.839 20 5 GHBDMO C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296604808 918453290 /nfs/dbraw/zinc/45/32/90/918453290.db2.gz DRVJQJIBOPVXRK-PKOBYXMFSA-N 1 1 396.491 3.819 20 5 GHBDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC000296766835 918704657 /nfs/dbraw/zinc/70/46/57/918704657.db2.gz OUQUOUQCJUDZBE-ZDUSSCGKSA-N 1 1 375.404 3.670 20 5 GHBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000796609496 918957867 /nfs/dbraw/zinc/95/78/67/918957867.db2.gz RURPXLUKNGBHIH-FQEVSTJZSA-N 1 1 389.402 3.865 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000116699081 919515511 /nfs/dbraw/zinc/51/55/11/919515511.db2.gz KYEMLNSDCXERJY-KRWDZBQOSA-N 1 1 382.464 3.937 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000117334102 919537559 /nfs/dbraw/zinc/53/75/59/919537559.db2.gz KCMVNTGLJMYFDS-UHFFFAOYSA-N 1 1 385.395 3.697 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000803535283 923073884 /nfs/dbraw/zinc/07/38/84/923073884.db2.gz WVOGSFGGMZYXCT-OAQYLSRUSA-N 1 1 399.878 3.986 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000803859862 923323798 /nfs/dbraw/zinc/32/37/98/923323798.db2.gz XTCAORDZGBDHAB-CYBMUJFWSA-N 1 1 385.258 3.665 20 5 GHBDMO O=C(OCc1csc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000803905870 923361831 /nfs/dbraw/zinc/36/18/31/923361831.db2.gz GONGUSFQWPGLGF-HNNXBMFYSA-N 1 1 396.415 3.857 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c2c(c1)COCO2 ZINC000010844189 924416908 /nfs/dbraw/zinc/41/69/08/924416908.db2.gz ZKKWPVIXRASZAY-SFHVURJKSA-N 1 1 398.415 3.570 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c2c(c1)COCO2 ZINC000010844189 924416912 /nfs/dbraw/zinc/41/69/12/924416912.db2.gz ZKKWPVIXRASZAY-SFHVURJKSA-N 1 1 398.415 3.570 20 5 GHBDMO COc1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000411126184 926088577 /nfs/dbraw/zinc/08/85/77/926088577.db2.gz NQTVMKIVUHUURO-LJQANCHMSA-N 1 1 399.447 3.778 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1cccc(O)c1 ZINC000411319937 926303459 /nfs/dbraw/zinc/30/34/59/926303459.db2.gz BDULOBPEVFSTHE-AWEZNQCLSA-N 1 1 387.436 3.721 20 5 GHBDMO CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000374132305 926808456 /nfs/dbraw/zinc/80/84/56/926808456.db2.gz USZTZCAGVDVCNY-SFHVURJKSA-N 1 1 397.475 3.588 20 5 GHBDMO COc1ccc(C[N@@H+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000749801728 927284270 /nfs/dbraw/zinc/28/42/70/927284270.db2.gz GGDXLPSYEOCIQP-UHFFFAOYSA-N 1 1 393.484 3.871 20 5 GHBDMO CCC[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCc2ccccc21 ZINC000750602194 927743914 /nfs/dbraw/zinc/74/39/14/927743914.db2.gz JKNSQHKAIPAXPI-QGZVFWFLSA-N 1 1 379.416 3.548 20 5 GHBDMO CCC[N@@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCc2ccccc21 ZINC000750602194 927743917 /nfs/dbraw/zinc/74/39/17/927743917.db2.gz JKNSQHKAIPAXPI-QGZVFWFLSA-N 1 1 379.416 3.548 20 5 GHBDMO COc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000543891557 928541394 /nfs/dbraw/zinc/54/13/94/928541394.db2.gz VUYKPDBWDXMJTL-HZPDHXFCSA-N 1 1 398.463 3.730 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000752448257 928827257 /nfs/dbraw/zinc/82/72/57/928827257.db2.gz KCHPCADXURROGD-INIZCTEOSA-N 1 1 375.469 3.616 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000467239829 928867040 /nfs/dbraw/zinc/86/70/40/928867040.db2.gz YJARFOAOASOIMU-NRFANRHFSA-N 1 1 383.448 3.639 20 5 GHBDMO COCc1cccc(OCC2(C[N@@H+]3CCc4ncc([N+](=O)[O-])cc4C3)CCC2)c1 ZINC000544442729 929189259 /nfs/dbraw/zinc/18/92/59/929189259.db2.gz UYSZYGNFAYINHP-UHFFFAOYSA-N 1 1 397.475 3.744 20 5 GHBDMO COCc1cccc(OCC2(C[N@H+]3CCc4ncc([N+](=O)[O-])cc4C3)CCC2)c1 ZINC000544442729 929189281 /nfs/dbraw/zinc/18/92/81/929189281.db2.gz UYSZYGNFAYINHP-UHFFFAOYSA-N 1 1 397.475 3.744 20 5 GHBDMO Cc1ccccc1C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000544527867 929259897 /nfs/dbraw/zinc/25/98/97/929259897.db2.gz DISCIAJOLZIVDE-UHFFFAOYSA-N 1 1 379.460 3.672 20 5 GHBDMO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000753681968 929480052 /nfs/dbraw/zinc/48/00/52/929480052.db2.gz NIPMRFBJZNGLLH-FQEVSTJZSA-N 1 1 389.883 3.720 20 5 GHBDMO CC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000546103719 929855266 /nfs/dbraw/zinc/85/52/66/929855266.db2.gz BPCMWBDLKZKZMP-KRWDZBQOSA-N 1 1 380.448 3.832 20 5 GHBDMO Cc1ccnc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)n1 ZINC000757929284 929858539 /nfs/dbraw/zinc/85/85/39/929858539.db2.gz PYVLCRGEBUXJGX-UHFFFAOYSA-N 1 1 378.379 3.674 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000546110118 929863112 /nfs/dbraw/zinc/86/31/12/929863112.db2.gz ZKSMFPNUMQSPCS-LJQANCHMSA-N 1 1 397.475 3.730 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000546110118 929863116 /nfs/dbraw/zinc/86/31/16/929863116.db2.gz ZKSMFPNUMQSPCS-LJQANCHMSA-N 1 1 397.475 3.730 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000469474719 929923766 /nfs/dbraw/zinc/92/37/66/929923766.db2.gz PZIFVNKBMRTDGU-CQSZACIVSA-N 1 1 389.402 4.000 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000470001927 930308473 /nfs/dbraw/zinc/30/84/73/930308473.db2.gz ZNXQJSIFYPUDLI-AWEZNQCLSA-N 1 1 389.374 3.595 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000546666066 930341382 /nfs/dbraw/zinc/34/13/82/930341382.db2.gz FLKWCNLXMONHFQ-QGZVFWFLSA-N 1 1 383.448 3.844 20 5 GHBDMO CC[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1Cc1ccccc1 ZINC000546759011 930408374 /nfs/dbraw/zinc/40/83/74/930408374.db2.gz XPHHSNOTZMNYEI-KRWDZBQOSA-N 1 1 377.448 3.639 20 5 GHBDMO COc1cc(C[NH2+]C(C)(C)c2ccc(C)nc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000546809239 930452771 /nfs/dbraw/zinc/45/27/71/930452771.db2.gz CVNHGARVHGLARL-UHFFFAOYSA-N 1 1 395.406 3.976 20 5 GHBDMO CCNc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000470818109 930937028 /nfs/dbraw/zinc/93/70/28/930937028.db2.gz YNUUADOYZNCEQM-IBGZPJMESA-N 1 1 396.491 3.763 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000471057141 931124262 /nfs/dbraw/zinc/12/42/62/931124262.db2.gz OOVPYVIFVOFMNB-AWEZNQCLSA-N 1 1 394.431 3.979 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000782499119 931243614 /nfs/dbraw/zinc/24/36/14/931243614.db2.gz LNLDBRPUFXKXMR-GDIGMMSISA-N 1 1 393.459 3.588 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557458729 931443586 /nfs/dbraw/zinc/44/35/86/931443586.db2.gz ABOKUIZPYOBSLF-LJQANCHMSA-N 1 1 379.416 3.757 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000783566031 931583943 /nfs/dbraw/zinc/58/39/43/931583943.db2.gz CRCLLEAZDIKRFB-WFASDCNBSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000783566031 931583944 /nfs/dbraw/zinc/58/39/44/931583944.db2.gz CRCLLEAZDIKRFB-WFASDCNBSA-N 1 1 383.876 3.983 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000784509267 931918081 /nfs/dbraw/zinc/91/80/81/931918081.db2.gz MDQWOAPIZZAZRI-CKEIUWERSA-N 1 1 393.459 3.859 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000784512943 931920034 /nfs/dbraw/zinc/92/00/34/931920034.db2.gz WWDLSQAPYJLWCO-BHYGNILZSA-N 1 1 375.469 3.720 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000797519167 932317439 /nfs/dbraw/zinc/31/74/39/932317439.db2.gz XHKSUBVMURXQIP-YOEHRIQHSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000797519393 932318392 /nfs/dbraw/zinc/31/83/92/932318392.db2.gz JFNUCZABIZNHTP-UHFFFAOYSA-N 1 1 387.392 3.555 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCN3C3CCCCC3)CC2)cc1 ZINC000798002372 932486733 /nfs/dbraw/zinc/48/67/33/932486733.db2.gz FVXFDBONVNXLFB-JOCHJYFZSA-N 1 1 386.540 3.950 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000559300422 932586137 /nfs/dbraw/zinc/58/61/37/932586137.db2.gz RMPPXJRVYDQCSF-CQSZACIVSA-N 1 1 387.411 3.561 20 5 GHBDMO C[C@H](NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000798373251 932619264 /nfs/dbraw/zinc/61/92/64/932619264.db2.gz ZCWDSTHWJYHIMW-HTAPYJJXSA-N 1 1 396.491 3.867 20 5 GHBDMO C[C@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000798525545 932690218 /nfs/dbraw/zinc/69/02/18/932690218.db2.gz XSYPFGWOBACKNG-JTSKRJEESA-N 1 1 381.476 3.727 20 5 GHBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2Cc2ccccc2Br)c1 ZINC000559479658 932699897 /nfs/dbraw/zinc/69/98/97/932699897.db2.gz TXXXBDJOXCHUQW-OAHLLOKOSA-N 1 1 393.285 3.651 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001116127035 933350100 /nfs/dbraw/zinc/35/01/00/933350100.db2.gz XVMMVURYCCTBMZ-SCLBCKFNSA-N 1 1 388.493 3.511 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1Cl ZINC001116171849 933379379 /nfs/dbraw/zinc/37/93/79/933379379.db2.gz QAKHFGMYFGPMSM-GOSISDBHSA-N 1 1 388.855 3.576 20 5 GHBDMO Cc1sc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000560769517 933545820 /nfs/dbraw/zinc/54/58/20/933545820.db2.gz UVFURPOZGCXYLP-FQEVSTJZSA-N 1 1 385.489 3.703 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001116417924 933547699 /nfs/dbraw/zinc/54/76/99/933547699.db2.gz QUQNQHCDERGZKS-INIZCTEOSA-N 1 1 389.521 3.940 20 5 GHBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116437280 933557434 /nfs/dbraw/zinc/55/74/34/933557434.db2.gz WPJOOIJSJDTMNA-MRXNPFEDSA-N 1 1 389.839 3.751 20 5 GHBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116437280 933557439 /nfs/dbraw/zinc/55/74/39/933557439.db2.gz WPJOOIJSJDTMNA-MRXNPFEDSA-N 1 1 389.839 3.751 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000561702738 934380893 /nfs/dbraw/zinc/38/08/93/934380893.db2.gz ZNXZOSULSWUTPY-MRXNPFEDSA-N 1 1 384.480 3.665 20 5 GHBDMO COc1cc(C[NH+]2CCC(c3ncco3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000931447083 934563947 /nfs/dbraw/zinc/56/39/47/934563947.db2.gz OOJQCXLETCPTQB-UHFFFAOYSA-N 1 1 397.378 3.615 20 5 GHBDMO CCC[N@H+](CCN1CCCCC1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000561974445 934598489 /nfs/dbraw/zinc/59/84/89/934598489.db2.gz AKSDCXQBCWAIAJ-UHFFFAOYSA-N 1 1 385.512 3.693 20 5 GHBDMO CCC[N@@H+](CCN1CCCCC1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000561974445 934598497 /nfs/dbraw/zinc/59/84/97/934598497.db2.gz AKSDCXQBCWAIAJ-UHFFFAOYSA-N 1 1 385.512 3.693 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)cccc1[N+](=O)[O-] ZINC000562046408 934656695 /nfs/dbraw/zinc/65/66/95/934656695.db2.gz OILCAGGYEYOBAE-ZHRRBRCNSA-N 1 1 395.459 3.700 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cccc1[N+](=O)[O-] ZINC000562046408 934656706 /nfs/dbraw/zinc/65/67/06/934656706.db2.gz OILCAGGYEYOBAE-ZHRRBRCNSA-N 1 1 395.459 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(c4ncc(F)cn4)CC3)s2)cc1 ZINC000544941902 1015251527 /nfs/dbraw/zinc/25/15/27/1015251527.db2.gz KOYNSJDAEKDVEF-UHFFFAOYSA-N 1 1 399.451 3.575 20 5 GHBDMO CCNc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000545475391 1015914559 /nfs/dbraw/zinc/91/45/59/1015914559.db2.gz NLMGATTWUHKWTO-LJQANCHMSA-N 1 1 396.491 3.763 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1F)ncnc2O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001226803559 1032135194 /nfs/dbraw/zinc/13/51/94/1032135194.db2.gz BKQGRFZDFDUJQQ-OAHLLOKOSA-N 1 1 382.395 3.721 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001226808673 1032138035 /nfs/dbraw/zinc/13/80/35/1032138035.db2.gz WYPVSCIIPUAUOJ-JLTOFOAXSA-N 1 1 396.422 3.967 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000545695428 1016255728 /nfs/dbraw/zinc/25/57/28/1016255728.db2.gz OZSBISLZPLUFFH-GOSISDBHSA-N 1 1 380.404 3.527 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000545695428 1016255734 /nfs/dbraw/zinc/25/57/34/1016255734.db2.gz OZSBISLZPLUFFH-GOSISDBHSA-N 1 1 380.404 3.527 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470153005 1016738664 /nfs/dbraw/zinc/73/86/64/1016738664.db2.gz QMDYDMBOTVIZNS-KUHUBIRLSA-N 1 1 386.427 3.766 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c([N+](=O)[O-])c1 ZINC001227299407 1032361225 /nfs/dbraw/zinc/36/12/25/1032361225.db2.gz ZICLHLWSXXEZEV-QWFCFKBJSA-N 1 1 396.443 3.671 20 5 GHBDMO Cc1nc(Cl)nc(O[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001227338060 1032380245 /nfs/dbraw/zinc/38/02/45/1032380245.db2.gz IXSIQPQJIKNKLX-DOMZBBRYSA-N 1 1 376.844 3.636 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000562061129 1018023836 /nfs/dbraw/zinc/02/38/36/1018023836.db2.gz FKJLQMSXTVQKFJ-DLBZAZTESA-N 1 1 387.430 3.827 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932824816 1018694086 /nfs/dbraw/zinc/69/40/86/1018694086.db2.gz HIRSHYQZRCABDG-UHFFFAOYSA-N 1 1 376.375 3.519 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000836343381 1022902239 /nfs/dbraw/zinc/90/22/39/1022902239.db2.gz QEJFJOKEBXQJSE-AWEZNQCLSA-N 1 1 387.867 3.733 20 5 GHBDMO COC(=O)c1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC001228772098 1033088706 /nfs/dbraw/zinc/08/87/06/1033088706.db2.gz UJQAGHVJYQMOOD-WGMWDUQUSA-N 1 1 396.443 3.956 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000755047821 1023043587 /nfs/dbraw/zinc/04/35/87/1023043587.db2.gz KDNIFCFQIXHAPZ-GOEBONIOSA-N 1 1 393.484 3.729 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000755143189 1023093997 /nfs/dbraw/zinc/09/39/97/1023093997.db2.gz WOWYISOBVLISRB-TZIWHRDSSA-N 1 1 379.460 3.670 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228805514 1033107367 /nfs/dbraw/zinc/10/73/67/1033107367.db2.gz KPTPQFYKPFNLCZ-HUUCEWRRSA-N 1 1 395.415 3.701 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000755494088 1023271762 /nfs/dbraw/zinc/27/17/62/1023271762.db2.gz NLORVSZZDJOXLT-YTWOYLGCSA-N 1 1 379.460 3.777 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000836780106 1023362599 /nfs/dbraw/zinc/36/25/99/1023362599.db2.gz WEVXBAWFGRCQAG-DYVFJYSZSA-N 1 1 377.872 3.646 20 5 GHBDMO CCCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ncsc2C1 ZINC000830816687 1024163742 /nfs/dbraw/zinc/16/37/42/1024163742.db2.gz IXPCLXSQHXVDRE-AEFFLSMTSA-N 1 1 375.494 3.744 20 5 GHBDMO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc(N2CCCC2)[nH+]1 ZINC000832204680 1025327677 /nfs/dbraw/zinc/32/76/77/1025327677.db2.gz QXHDUDWXXBJRPL-UHFFFAOYSA-N 1 1 388.855 3.790 20 5 GHBDMO C[NH+](C)[C@@H](CNCc1c(Br)cccc1[N+](=O)[O-])c1ccsc1 ZINC001461020151 1069340632 /nfs/dbraw/zinc/34/06/32/1069340632.db2.gz DFOHKWOWJOBMEV-HNNXBMFYSA-N 1 1 384.299 3.811 20 5 GHBDMO Cc1cc(C2CCN(Cc3cccc([N+](=O)[O-])c3Br)CC2)[nH]n1 ZINC000839537151 1026025840 /nfs/dbraw/zinc/02/58/40/1026025840.db2.gz VBIPFCMISPEXPL-UHFFFAOYSA-N 1 1 379.258 3.768 20 5 GHBDMO Cc1cc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3Br)CC2)n[nH]1 ZINC000839537151 1026025858 /nfs/dbraw/zinc/02/58/58/1026025858.db2.gz VBIPFCMISPEXPL-UHFFFAOYSA-N 1 1 379.258 3.768 20 5 GHBDMO Cc1cc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3Br)CC2)[nH]n1 ZINC000839537151 1026025873 /nfs/dbraw/zinc/02/58/73/1026025873.db2.gz VBIPFCMISPEXPL-UHFFFAOYSA-N 1 1 379.258 3.768 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](Nc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC001163371386 1026165411 /nfs/dbraw/zinc/16/54/11/1026165411.db2.gz PIASTCHFMWNUDZ-IUCAKERBSA-N 1 1 381.786 3.588 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000839679400 1026193622 /nfs/dbraw/zinc/19/36/22/1026193622.db2.gz MWZJPVZTFWCOCM-IBGZPJMESA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000839679400 1026193632 /nfs/dbraw/zinc/19/36/32/1026193632.db2.gz MWZJPVZTFWCOCM-IBGZPJMESA-N 1 1 379.432 3.709 20 5 GHBDMO C[C@]1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000839751613 1026247525 /nfs/dbraw/zinc/24/75/25/1026247525.db2.gz FVHCCKWPBZFEEI-QZNHQXDQSA-N 1 1 393.487 3.727 20 5 GHBDMO COC(=O)/C=C\c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001163831118 1026331306 /nfs/dbraw/zinc/33/13/06/1026331306.db2.gz KCCGMBCSJGEMOU-FUKPKEADSA-N 1 1 395.459 3.776 20 5 GHBDMO Cc1[nH+]ccn1CCNc1cnc(Cl)nc1Sc1ccc([N+](=O)[O-])cc1 ZINC001163919994 1026361460 /nfs/dbraw/zinc/36/14/60/1026361460.db2.gz NHXRDZGLZHNVIR-UHFFFAOYSA-N 1 1 390.856 3.806 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC([N@H+]4CCc5ccccc5C4)CC3)c2c1 ZINC001165148999 1026633853 /nfs/dbraw/zinc/63/38/53/1026633853.db2.gz DNSZPMBKQOSVKY-UHFFFAOYSA-N 1 1 389.459 3.565 20 5 GHBDMO C[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000840128021 1027254385 /nfs/dbraw/zinc/25/43/85/1027254385.db2.gz UKSMBSXCTXUTAO-GOEBONIOSA-N 1 1 387.505 3.780 20 5 GHBDMO C[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000840128021 1027254405 /nfs/dbraw/zinc/25/44/05/1027254405.db2.gz UKSMBSXCTXUTAO-GOEBONIOSA-N 1 1 387.505 3.780 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C[C@H](O)c1ccccc1Cl ZINC001461224094 1069450258 /nfs/dbraw/zinc/45/02/58/1069450258.db2.gz LHQZOOFDNACCRW-HNNXBMFYSA-N 1 1 385.645 3.834 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)Cc1ccc(F)cn1 ZINC001142017663 1027891289 /nfs/dbraw/zinc/89/12/89/1027891289.db2.gz JIPXFDVTKIPPKE-UHFFFAOYSA-N 1 1 390.418 3.672 20 5 GHBDMO CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001216141090 1029540147 /nfs/dbraw/zinc/54/01/47/1029540147.db2.gz LLRFXXCUBOPINK-UHFFFAOYSA-N 1 1 376.379 3.713 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001217423521 1030382379 /nfs/dbraw/zinc/38/23/79/1030382379.db2.gz YGUHNIVCHCFNIT-MSOLQXFVSA-N 1 1 382.464 3.679 20 5 GHBDMO Nc1[nH]c2ccc(-c3nc(-c4ccc5ccc6cccnc6c5n4)no3)cc2[nH+]1 ZINC001217663342 1030584483 /nfs/dbraw/zinc/58/44/83/1030584483.db2.gz HJAIPVABLBJMFN-UHFFFAOYSA-N 1 1 379.383 3.959 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@H]2C=CC[NH2+]C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218338253 1030901417 /nfs/dbraw/zinc/90/14/17/1030901417.db2.gz UVVSHEYHTGZVQF-AWEZNQCLSA-N 1 1 393.439 3.773 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001225449790 1031419970 /nfs/dbraw/zinc/41/99/70/1031419970.db2.gz AOPRUEMJKDOIGF-LSTHTHJFSA-N 1 1 396.443 3.671 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001225661614 1031527378 /nfs/dbraw/zinc/52/73/78/1031527378.db2.gz MYQCGWLHMCSSPA-TZMCWYRMSA-N 1 1 392.253 3.967 20 5 GHBDMO CC[N@@H+]1CC[C@@H](Oc2c(OC)cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001229203879 1033339177 /nfs/dbraw/zinc/33/91/77/1033339177.db2.gz UPDJSHOPQYCBEK-QGZVFWFLSA-N 1 1 384.432 3.616 20 5 GHBDMO CC[N@H+]1CC[C@@H](Oc2c(OC)cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001229203879 1033339184 /nfs/dbraw/zinc/33/91/84/1033339184.db2.gz UPDJSHOPQYCBEK-QGZVFWFLSA-N 1 1 384.432 3.616 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001157084167 1033406182 /nfs/dbraw/zinc/40/61/82/1033406182.db2.gz WABKMAIQWUWESC-UHFFFAOYSA-N 1 1 395.438 3.778 20 5 GHBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001229898653 1033781357 /nfs/dbraw/zinc/78/13/57/1033781357.db2.gz CDDAJPPWCIGOPN-APWZRJJASA-N 1 1 398.459 3.979 20 5 GHBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001229899610 1033782992 /nfs/dbraw/zinc/78/29/92/1033782992.db2.gz NAHXREFKSLYRCZ-JKSUJKDBSA-N 1 1 399.447 3.689 20 5 GHBDMO CCOC(=O)CC[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C(C)C ZINC001206475828 1033861687 /nfs/dbraw/zinc/86/16/87/1033861687.db2.gz DPCFSQCHRZQBMF-UHFFFAOYSA-N 1 1 379.276 3.582 20 5 GHBDMO CCOC(=O)CC[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C(C)C ZINC001206475828 1033861698 /nfs/dbraw/zinc/86/16/98/1033861698.db2.gz DPCFSQCHRZQBMF-UHFFFAOYSA-N 1 1 379.276 3.582 20 5 GHBDMO N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158081710 1033904597 /nfs/dbraw/zinc/90/45/97/1033904597.db2.gz HRQOJYGPPLDHQU-QHCPKHFHSA-N 1 1 387.527 3.593 20 5 GHBDMO C[NH+](C)/C=C/c1cc(NCc2ccsc2Br)ncc1[N+](=O)[O-] ZINC001158193859 1033960324 /nfs/dbraw/zinc/96/03/24/1033960324.db2.gz JVBIPASNCGNGQC-HWKANZROSA-N 1 1 383.271 3.958 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001230246150 1033961107 /nfs/dbraw/zinc/96/11/07/1033961107.db2.gz JQIYGHYMQVCMJH-YWZLYKJASA-N 1 1 383.448 3.843 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001230314600 1033991861 /nfs/dbraw/zinc/99/18/61/1033991861.db2.gz FYTQMEPGXJITEZ-FRQCXROJSA-N 1 1 383.404 3.792 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231052845 1034366634 /nfs/dbraw/zinc/36/66/34/1034366634.db2.gz FTYKPIIEIYJLAW-DNVCBOLYSA-N 1 1 378.432 3.827 20 5 GHBDMO CC(C)(C)N1CCN(C(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)CC1 ZINC001160577667 1035007656 /nfs/dbraw/zinc/00/76/56/1035007656.db2.gz PPQHRBUKBODIRM-QHCPKHFHSA-N 1 1 389.543 3.806 20 5 GHBDMO COc1ccc(F)cc1C[NH+]1CCC(Nc2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001161151774 1035159824 /nfs/dbraw/zinc/15/98/24/1035159824.db2.gz GDXIUQSMPCJYPY-UHFFFAOYSA-N 1 1 394.834 3.867 20 5 GHBDMO O=C1c2ccccc2[C@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)CCN12 ZINC001232221409 1035169350 /nfs/dbraw/zinc/16/93/50/1035169350.db2.gz YEVLDAMGKOLLAE-OAQYLSRUSA-N 1 1 380.451 3.796 20 5 GHBDMO O=C1c2ccccc2[C@H]2C[N@H+](Cc3ccc4ccc5cccnc5c4n3)CCN12 ZINC001232221409 1035169352 /nfs/dbraw/zinc/16/93/52/1035169352.db2.gz YEVLDAMGKOLLAE-OAQYLSRUSA-N 1 1 380.451 3.796 20 5 GHBDMO CN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)C1=O ZINC001232222716 1035170166 /nfs/dbraw/zinc/17/01/66/1035170166.db2.gz XXJUTZCSOGVBNU-RUZDIDTESA-N 1 1 394.478 3.903 20 5 GHBDMO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232222061 1035170374 /nfs/dbraw/zinc/17/03/74/1035170374.db2.gz GYPXAIZVHDOAGM-KRWDZBQOSA-N 1 1 387.487 3.648 20 5 GHBDMO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232222061 1035170375 /nfs/dbraw/zinc/17/03/75/1035170375.db2.gz GYPXAIZVHDOAGM-KRWDZBQOSA-N 1 1 387.487 3.648 20 5 GHBDMO COc1c(O)ccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001461988200 1069931301 /nfs/dbraw/zinc/93/13/01/1069931301.db2.gz RWAFMPZUHFPWAX-QFBILLFUSA-N 1 1 399.491 3.794 20 5 GHBDMO COc1c(O)ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001461988194 1069931310 /nfs/dbraw/zinc/93/13/10/1069931310.db2.gz RWAFMPZUHFPWAX-APWZRJJASA-N 1 1 399.491 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(c3ccc(F)cc3)CCNCC1)CC2 ZINC001246337009 1037301698 /nfs/dbraw/zinc/30/16/98/1037301698.db2.gz PUEBOCOYSDEUQF-FQEVSTJZSA-N 1 1 383.467 3.850 20 5 GHBDMO COc1cccc(C2([NH2+][C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CCNCC2)c1 ZINC001246415987 1037370835 /nfs/dbraw/zinc/37/08/35/1037370835.db2.gz OFVHHGJVKKGUNZ-FQEVSTJZSA-N 1 1 395.503 3.719 20 5 GHBDMO COc1ccc(C[C@H](C)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001246601009 1037495601 /nfs/dbraw/zinc/49/56/01/1037495601.db2.gz FTLVCFPUGFIGSS-LAUBAEHRSA-N 1 1 375.513 3.780 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246619244 1037509244 /nfs/dbraw/zinc/50/92/44/1037509244.db2.gz JXFARIUFYVGSPR-UNMCSNQZSA-N 1 1 377.488 3.531 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246619244 1037509256 /nfs/dbraw/zinc/50/92/56/1037509256.db2.gz JXFARIUFYVGSPR-UNMCSNQZSA-N 1 1 377.488 3.531 20 5 GHBDMO Cc1cc(F)ccc1CN([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC001246963040 1037785136 /nfs/dbraw/zinc/78/51/36/1037785136.db2.gz WOKLDKIJXUWQJC-JOCHJYFZSA-N 1 1 383.467 3.764 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001233577945 1039454931 /nfs/dbraw/zinc/45/49/31/1039454931.db2.gz LYDWTDCOLYTIEX-XYJFISCASA-N 1 1 383.404 3.792 20 5 GHBDMO O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001278731208 1039711557 /nfs/dbraw/zinc/71/15/57/1039711557.db2.gz VOOFDTIGEHFQSN-QGZVFWFLSA-N 1 1 376.416 3.604 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001233985493 1039744008 /nfs/dbraw/zinc/74/40/08/1039744008.db2.gz YVWBRFDHNQIWKD-SJLPKXTDSA-N 1 1 385.464 3.514 20 5 GHBDMO Cc1c(CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)cccc1[N+](=O)[O-] ZINC001234102190 1039841426 /nfs/dbraw/zinc/84/14/26/1039841426.db2.gz JHHMTRUMOPLMGF-UHFFFAOYSA-N 1 1 396.491 3.757 20 5 GHBDMO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001234409614 1040013183 /nfs/dbraw/zinc/01/31/83/1040013183.db2.gz GFMZTZQOOJZJSJ-KKSFZXQISA-N 1 1 398.459 3.600 20 5 GHBDMO Cc1ccc(CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001254242237 1040094065 /nfs/dbraw/zinc/09/40/65/1040094065.db2.gz WTUNUNGXTLDBCR-HXUWFJFHSA-N 1 1 396.491 3.709 20 5 GHBDMO CN(C)CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001254465733 1040253038 /nfs/dbraw/zinc/25/30/38/1040253038.db2.gz IWAKLNXCIMRWGL-QFIPXVFZSA-N 1 1 382.508 3.846 20 5 GHBDMO CCOC(=O)C[N@H+](Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476428 1040262835 /nfs/dbraw/zinc/26/28/35/1040262835.db2.gz RQHDKVQLUUMEAV-UHFFFAOYSA-N 1 1 397.475 3.629 20 5 GHBDMO CCOC(=O)C[N@@H+](Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476428 1040262850 /nfs/dbraw/zinc/26/28/50/1040262850.db2.gz RQHDKVQLUUMEAV-UHFFFAOYSA-N 1 1 397.475 3.629 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001254552414 1040321052 /nfs/dbraw/zinc/32/10/52/1040321052.db2.gz LIPFGXDXCXOKJT-NXHRZFHOSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001254554290 1040323238 /nfs/dbraw/zinc/32/32/38/1040323238.db2.gz BOFIIEHZWAPFNY-DGEVVOEJSA-N 1 1 397.475 3.622 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001254556915 1040326454 /nfs/dbraw/zinc/32/64/54/1040326454.db2.gz NFGQXIOCDQGHGU-NJAFHUGGSA-N 1 1 386.521 3.579 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001254558614 1040328297 /nfs/dbraw/zinc/32/82/97/1040328297.db2.gz UOLFFVCBDWTSFQ-OAHLLOKOSA-N 1 1 378.432 3.677 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001254559967 1040331611 /nfs/dbraw/zinc/33/16/11/1040331611.db2.gz DFNFAXOKVQBKBW-FOIQADDNSA-N 1 1 385.489 3.716 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC001254561689 1040334980 /nfs/dbraw/zinc/33/49/80/1040334980.db2.gz IIHVUMACPAAVTM-HNNXBMFYSA-N 1 1 382.489 3.958 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2nn(CC3CC3)cc21 ZINC001254563019 1040336809 /nfs/dbraw/zinc/33/68/09/1040336809.db2.gz WJHZAFZNDKUOHN-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2nn(CC3CC3)cc21 ZINC001254563019 1040336823 /nfs/dbraw/zinc/33/68/23/1040336823.db2.gz WJHZAFZNDKUOHN-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254571572 1040347465 /nfs/dbraw/zinc/34/74/65/1040347465.db2.gz XYYJHAAVBXTEDO-KNQAVFIVSA-N 1 1 397.519 3.749 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254590851 1040363777 /nfs/dbraw/zinc/36/37/77/1040363777.db2.gz ZNGVPENIZLJRCB-VGOFRKELSA-N 1 1 399.454 3.723 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594577 1040368135 /nfs/dbraw/zinc/36/81/35/1040368135.db2.gz RRQMRPAYBATTGS-WIYYLYMNSA-N 1 1 387.480 3.537 20 5 GHBDMO CN(C[C@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)C(=O)OC(C)(C)C ZINC001254596411 1040369977 /nfs/dbraw/zinc/36/99/77/1040369977.db2.gz DKRQGPBIRVYCOK-DNVCBOLYSA-N 1 1 389.496 3.641 20 5 GHBDMO C[N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604316 1040374752 /nfs/dbraw/zinc/37/47/52/1040374752.db2.gz VIKICRCMXHSHLQ-DNVCBOLYSA-N 1 1 389.496 3.641 20 5 GHBDMO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610609 1040382216 /nfs/dbraw/zinc/38/22/16/1040382216.db2.gz LTPNYLWWNDBAOZ-GHTZIAJQSA-N 1 1 380.444 3.517 20 5 GHBDMO O=[N+]([O-])c1cccc(CCc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255419129 1041012891 /nfs/dbraw/zinc/01/28/91/1041012891.db2.gz FGKHXXFMYKZYFG-GOSISDBHSA-N 1 1 378.432 3.753 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)c1[N+](=O)[O-] ZINC001462585248 1070390797 /nfs/dbraw/zinc/39/07/97/1070390797.db2.gz JCNWEDDZGJHBHB-CYBMUJFWSA-N 1 1 389.477 3.634 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)c1[N+](=O)[O-] ZINC001462585252 1070390337 /nfs/dbraw/zinc/39/03/37/1070390337.db2.gz JCNWEDDZGJHBHB-ZDUSSCGKSA-N 1 1 389.477 3.634 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001462623590 1070421914 /nfs/dbraw/zinc/42/19/14/1070421914.db2.gz AESRYYRSKVIVOD-INIZCTEOSA-N 1 1 377.485 3.948 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001462623591 1070422298 /nfs/dbraw/zinc/42/22/98/1070422298.db2.gz AESRYYRSKVIVOD-MRXNPFEDSA-N 1 1 377.485 3.948 20 5 GHBDMO CC[C@@H](C)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCn1cc[nH+]c1C ZINC001291445532 1043261713 /nfs/dbraw/zinc/26/17/13/1043261713.db2.gz OPEKGZFHNHPHHM-OAHLLOKOSA-N 1 1 397.483 3.541 20 5 GHBDMO Cc1cccc(NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001293341519 1044124005 /nfs/dbraw/zinc/12/40/05/1044124005.db2.gz OKOXISRDEVIOKB-CEXWTWQISA-N 1 1 380.448 3.505 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001296876440 1045391413 /nfs/dbraw/zinc/39/14/13/1045391413.db2.gz OHUGXDFEZNZDFA-NRFANRHFSA-N 1 1 381.476 3.650 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[N@H+](C2CC2)C1 ZINC001298640433 1045905573 /nfs/dbraw/zinc/90/55/73/1045905573.db2.gz MBXSXFANNDDCLY-MRXNPFEDSA-N 1 1 395.459 3.943 20 5 GHBDMO CC[C@H](NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000489634457 1045906058 /nfs/dbraw/zinc/90/60/58/1045906058.db2.gz UBGCAYJIPZWWDR-UZLBHIALSA-N 1 1 384.480 3.866 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001301718689 1046674355 /nfs/dbraw/zinc/67/43/55/1046674355.db2.gz SFCBUMFYMCGRLV-BGYRXZFFSA-N 1 1 391.537 3.901 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001301866777 1046733866 /nfs/dbraw/zinc/73/38/66/1046733866.db2.gz DCYCNZOLEYHEIH-DZWQLVLCSA-N 1 1 379.460 3.635 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001301883140 1046744760 /nfs/dbraw/zinc/74/47/60/1046744760.db2.gz UJWNJUXLLNVNRX-YOEHRIQHSA-N 1 1 387.867 3.889 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC000612112989 1047531063 /nfs/dbraw/zinc/53/10/63/1047531063.db2.gz TZZXMPFIDUQYMS-NBHGPNQESA-N 1 1 389.459 3.861 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001306523680 1048714568 /nfs/dbraw/zinc/71/45/68/1048714568.db2.gz DLQBHCALKGRUPO-PCCBWWKXSA-N 1 1 385.508 3.859 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001287694379 1048892278 /nfs/dbraw/zinc/89/22/78/1048892278.db2.gz RVZUTLBXHFMNOA-QAPCUYQASA-N 1 1 393.443 3.839 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001306933187 1048966249 /nfs/dbraw/zinc/96/62/49/1048966249.db2.gz BJJHIELNAPCDQB-UHFFFAOYSA-N 1 1 398.891 3.603 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])c1 ZINC001306942048 1048971075 /nfs/dbraw/zinc/97/10/75/1048971075.db2.gz PSMCDMCQYVEKSB-UHFFFAOYSA-N 1 1 395.419 3.537 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001306972931 1048986612 /nfs/dbraw/zinc/98/66/12/1048986612.db2.gz XJEPUUDPFMLZGZ-WBVHZDCISA-N 1 1 379.464 3.960 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c2c1 ZINC001307088130 1049065208 /nfs/dbraw/zinc/06/52/08/1049065208.db2.gz CHDUURWASJKTAN-MGPUTAFESA-N 1 1 392.459 3.506 20 5 GHBDMO CSCC[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC001307415996 1049257865 /nfs/dbraw/zinc/25/78/65/1049257865.db2.gz CFTGONSBLAVCFS-UHFFFAOYSA-N 1 1 377.535 3.804 20 5 GHBDMO COc1ccc(CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])Cc2ccccc2)cc1 ZINC001307454364 1049291560 /nfs/dbraw/zinc/29/15/60/1049291560.db2.gz RSUFEGIZAOTFOB-UHFFFAOYSA-N 1 1 380.448 3.582 20 5 GHBDMO COc1ccc(CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])Cc2ccccc2)cc1 ZINC001307454364 1049291574 /nfs/dbraw/zinc/29/15/74/1049291574.db2.gz RSUFEGIZAOTFOB-UHFFFAOYSA-N 1 1 380.448 3.582 20 5 GHBDMO Cc1cccc(OC[C@@H](O)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C(C)C)c1 ZINC001307492514 1049332215 /nfs/dbraw/zinc/33/22/15/1049332215.db2.gz LQCXUFFMIZGRTP-SFHVURJKSA-N 1 1 376.428 3.693 20 5 GHBDMO Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C(C)C)c1 ZINC001307492514 1049332229 /nfs/dbraw/zinc/33/22/29/1049332229.db2.gz LQCXUFFMIZGRTP-SFHVURJKSA-N 1 1 376.428 3.693 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1OC ZINC001307629910 1049460483 /nfs/dbraw/zinc/46/04/83/1049460483.db2.gz NGFVZHJEOMZVSF-HRCADAONSA-N 1 1 379.501 3.553 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)cc1OC ZINC001307645091 1049472102 /nfs/dbraw/zinc/47/21/02/1049472102.db2.gz USNOVHWTPGOFIF-BBWFWOEESA-N 1 1 393.528 3.943 20 5 GHBDMO CC[N@@H+](CCOc1ccccc1C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001307862425 1049645253 /nfs/dbraw/zinc/64/52/53/1049645253.db2.gz UNGSHQZRKODKRU-UHFFFAOYSA-N 1 1 389.427 3.772 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001308121304 1049864899 /nfs/dbraw/zinc/86/48/99/1049864899.db2.gz GLLLEYCTWWRGHG-LHUXKHBRSA-N 1 1 377.444 3.662 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001308121304 1049864908 /nfs/dbraw/zinc/86/49/08/1049864908.db2.gz GLLLEYCTWWRGHG-LHUXKHBRSA-N 1 1 377.444 3.662 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001290803706 1049928256 /nfs/dbraw/zinc/92/82/56/1049928256.db2.gz OYMUYVIHSUQULH-IBGZPJMESA-N 1 1 397.475 3.776 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3N)cc2)C1 ZINC001290979614 1049964012 /nfs/dbraw/zinc/96/40/12/1049964012.db2.gz FBIIMCJAARGSHS-IYBDPMFKSA-N 1 1 396.491 3.585 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCN1C1CCC1 ZINC001328714982 1050603260 /nfs/dbraw/zinc/60/32/60/1050603260.db2.gz BGEQVRUKPBMQMN-MRXNPFEDSA-N 1 1 389.839 3.751 20 5 GHBDMO CN1CC[NH+](Cc2cccc(CNc3nccc4c3cccc4[N+](=O)[O-])c2)CC1 ZINC001330590784 1051034204 /nfs/dbraw/zinc/03/42/04/1051034204.db2.gz RNRWZIBDLCIVMU-UHFFFAOYSA-N 1 1 391.475 3.503 20 5 GHBDMO CCOc1cc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001310944287 1051722610 /nfs/dbraw/zinc/72/26/10/1051722610.db2.gz AUYLEDMJLNCBHU-OAHLLOKOSA-N 1 1 378.473 3.770 20 5 GHBDMO C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001311429592 1052133962 /nfs/dbraw/zinc/13/39/62/1052133962.db2.gz BKPBBVHVCTVTAY-DLBZAZTESA-N 1 1 376.501 3.652 20 5 GHBDMO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001312817640 1052881251 /nfs/dbraw/zinc/88/12/51/1052881251.db2.gz UUVHUVXFEGFBOR-FUHIMQAGSA-N 1 1 396.491 3.661 20 5 GHBDMO COc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC001318642840 1054766370 /nfs/dbraw/zinc/76/63/70/1054766370.db2.gz BDRQSXANRADBFC-IBGZPJMESA-N 1 1 397.475 3.583 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC001319416684 1055238620 /nfs/dbraw/zinc/23/86/20/1055238620.db2.gz USMPAWDGSJZHOB-HNNXBMFYSA-N 1 1 385.464 3.803 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(OCC(F)F)ccn2)cc1[N+](=O)[O-] ZINC001320733166 1055943632 /nfs/dbraw/zinc/94/36/32/1055943632.db2.gz IJGYHQGGKCWSPH-GFCCVEGCSA-N 1 1 381.379 3.883 20 5 GHBDMO CN1CCN(c2ccccc2C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001320862612 1055991363 /nfs/dbraw/zinc/99/13/63/1055991363.db2.gz KQIHDEZMJVAKOP-NRFANRHFSA-N 1 1 380.492 3.514 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@]2(CCOC2)O1 ZINC001321079197 1056084194 /nfs/dbraw/zinc/08/41/94/1056084194.db2.gz HFSSWEHORVWEDD-ORAYPTAESA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@]2(CCOC2)O1 ZINC001321079197 1056084209 /nfs/dbraw/zinc/08/42/09/1056084209.db2.gz HFSSWEHORVWEDD-ORAYPTAESA-N 1 1 392.839 3.888 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001472829249 1056929445 /nfs/dbraw/zinc/92/94/45/1056929445.db2.gz ZKLWOSHLNOLTCH-MRXNPFEDSA-N 1 1 395.381 3.792 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(c4ccc5cccnc5n4)CC3)c2c1 ZINC000848495432 1057126900 /nfs/dbraw/zinc/12/69/00/1057126900.db2.gz HJVSPXZXNZXSTQ-UHFFFAOYSA-N 1 1 388.431 3.725 20 5 GHBDMO CCC(CC)[C@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001440812594 1058625982 /nfs/dbraw/zinc/62/59/82/1058625982.db2.gz UDYGZPZQMQIRJW-FQEVSTJZSA-N 1 1 391.512 3.585 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC001443906211 1059229115 /nfs/dbraw/zinc/22/91/15/1059229115.db2.gz KLCZWKBCGZOBFA-OAHLLOKOSA-N 1 1 399.495 3.615 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001456564001 1062753924 /nfs/dbraw/zinc/75/39/24/1062753924.db2.gz QTGHIHOPWMNDIR-QGZVFWFLSA-N 1 1 381.476 3.948 20 5 GHBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC001457853274 1063403055 /nfs/dbraw/zinc/40/30/55/1063403055.db2.gz MBUXJYNKUKHZIZ-QGZVFWFLSA-N 1 1 390.528 3.681 20 5 GHBDMO CCc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)nc(C)[nH+]1 ZINC001458162986 1063619295 /nfs/dbraw/zinc/61/92/95/1063619295.db2.gz FLTLUEAMWKPIRH-UHFFFAOYSA-N 1 1 395.385 3.601 20 5 GHBDMO CCc1cc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458304719 1063732934 /nfs/dbraw/zinc/73/29/34/1063732934.db2.gz JYECPASDVHCIFE-HXUWFJFHSA-N 1 1 389.459 3.635 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC001458565350 1063894983 /nfs/dbraw/zinc/89/49/83/1063894983.db2.gz RQGLMOBKZPARBJ-ZDUSSCGKSA-N 1 1 391.269 3.636 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC001459582171 1064133929 /nfs/dbraw/zinc/13/39/29/1064133929.db2.gz MLCUWDFFYCQKSS-RBUKOAKNSA-N 1 1 389.496 3.983 20 5 GHBDMO CC[N@@H+]1CCc2nc(NC(=O)CCc3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC001463752226 1064587806 /nfs/dbraw/zinc/58/78/06/1064587806.db2.gz WPHNANGWGLCJLH-UHFFFAOYSA-N 1 1 394.884 3.654 20 5 GHBDMO CC[N@H+]1CCc2nc(NC(=O)CCc3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC001463752226 1064587818 /nfs/dbraw/zinc/58/78/18/1064587818.db2.gz WPHNANGWGLCJLH-UHFFFAOYSA-N 1 1 394.884 3.654 20 5 GHBDMO C[N@@H+](Cc1ccccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001463956464 1064738739 /nfs/dbraw/zinc/73/87/39/1064738739.db2.gz SRKWRAKRIPLJJG-UHFFFAOYSA-N 1 1 383.452 3.589 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001464446651 1065013648 /nfs/dbraw/zinc/01/36/48/1065013648.db2.gz BLJQAPUDFYEACC-CYBMUJFWSA-N 1 1 399.944 3.967 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC001465543302 1065702381 /nfs/dbraw/zinc/70/23/81/1065702381.db2.gz INZCMTPLDDYWFV-CYBMUJFWSA-N 1 1 388.855 3.817 20 5 GHBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357960130 1067347200 /nfs/dbraw/zinc/34/72/00/1067347200.db2.gz QYTYZUVKYABCLC-IBGZPJMESA-N 1 1 396.491 3.815 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC001460258717 1068889787 /nfs/dbraw/zinc/88/97/87/1068889787.db2.gz QXVZGYCEBBFUOK-QGZVFWFLSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001460332666 1068929708 /nfs/dbraw/zinc/92/97/08/1068929708.db2.gz CJGCZOWIBPWCRL-IBGZPJMESA-N 1 1 376.840 3.740 20 5 GHBDMO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460346446 1068935452 /nfs/dbraw/zinc/93/54/52/1068935452.db2.gz XSOKOINMCLGTRH-RTBURBONSA-N 1 1 386.448 3.655 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001460944524 1069290420 /nfs/dbraw/zinc/29/04/20/1069290420.db2.gz DMJDTTMUCIONJT-HXUWFJFHSA-N 1 1 383.448 3.695 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001473178965 1073835900 /nfs/dbraw/zinc/83/59/00/1073835900.db2.gz BHDSIEAKICAGGJ-CSODHUTKSA-N 1 1 379.460 3.887 20 5 GHBDMO CC(C)[C@@H](CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001473197545 1073849565 /nfs/dbraw/zinc/84/95/65/1073849565.db2.gz IRINMNLZLSCRID-GOSISDBHSA-N 1 1 395.500 3.845 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@H](N(C)c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001473303876 1073912674 /nfs/dbraw/zinc/91/26/74/1073912674.db2.gz WTCLBFBCGDELLJ-IBGZPJMESA-N 1 1 399.491 3.891 20 5 GHBDMO CCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473357718 1073934077 /nfs/dbraw/zinc/93/40/77/1073934077.db2.gz LSTOKHBSCKIODO-GOSISDBHSA-N 1 1 387.455 3.839 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC001473577057 1074026690 /nfs/dbraw/zinc/02/66/90/1074026690.db2.gz PJKMPFOHTGIILT-GOSISDBHSA-N 1 1 391.265 3.623 20 5 GHBDMO Cc1c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001473839602 1074168601 /nfs/dbraw/zinc/16/86/01/1074168601.db2.gz FMYSZUFNSINKTP-GOSISDBHSA-N 1 1 387.867 3.951 20 5 GHBDMO Cc1c(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001473839602 1074168607 /nfs/dbraw/zinc/16/86/07/1074168607.db2.gz FMYSZUFNSINKTP-GOSISDBHSA-N 1 1 387.867 3.951 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001473870112 1074183220 /nfs/dbraw/zinc/18/32/20/1074183220.db2.gz GVSJNOFMDWFRJY-HXUWFJFHSA-N 1 1 391.468 3.579 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001473870112 1074183223 /nfs/dbraw/zinc/18/32/23/1074183223.db2.gz GVSJNOFMDWFRJY-HXUWFJFHSA-N 1 1 391.468 3.579 20 5 GHBDMO CCC1(CC)CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC001474446478 1074410068 /nfs/dbraw/zinc/41/00/68/1074410068.db2.gz SVLDQTWVZNIHCC-UHFFFAOYSA-N 1 1 378.469 3.939 20 5 GHBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])cc2C)CC3)cs1 ZINC001164693330 719803980 /nfs/dbraw/zinc/80/39/80/719803980.db2.gz SDXOWADSYFFVMK-UHFFFAOYSA-N 1 1 387.509 3.698 20 5 GHBDMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000180650852 837423123 /nfs/dbraw/zinc/42/31/23/837423123.db2.gz VZGQRWRXGPGTLQ-FOIQADDNSA-N 1 1 396.447 3.534 20 5 GHBDMO CNc1c(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cccc1[N+](=O)[O-] ZINC000581476573 837529603 /nfs/dbraw/zinc/52/96/03/837529603.db2.gz WRZDPEOPZWNNPR-UHFFFAOYSA-N 1 1 389.481 3.721 20 5 GHBDMO COc1cccc([C@H](C)[NH+]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000177048745 837730782 /nfs/dbraw/zinc/73/07/82/837730782.db2.gz ZINFFNMVSUWTOT-HNNXBMFYSA-N 1 1 396.447 3.623 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175289034 834696318 /nfs/dbraw/zinc/69/63/18/834696318.db2.gz BXEHNBDFOIOBRC-IBGZPJMESA-N 1 1 381.476 3.887 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000157506631 834925988 /nfs/dbraw/zinc/92/59/88/834925988.db2.gz FHUCUHJKEMDWTO-MRXNPFEDSA-N 1 1 389.496 3.720 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000430212632 835149176 /nfs/dbraw/zinc/14/91/76/835149176.db2.gz OVNRMTKELJWUIP-UHFFFAOYSA-N 1 1 383.492 3.947 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000430212632 835149183 /nfs/dbraw/zinc/14/91/83/835149183.db2.gz OVNRMTKELJWUIP-UHFFFAOYSA-N 1 1 383.492 3.947 20 5 GHBDMO COc1cc(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000510112458 835324713 /nfs/dbraw/zinc/32/47/13/835324713.db2.gz JZXRUDMKKCDYOY-FUHWJXTLSA-N 1 1 397.475 3.634 20 5 GHBDMO CC[N@@H+](C)[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000728599597 835342303 /nfs/dbraw/zinc/34/23/03/835342303.db2.gz IZXZLTMGAPCIHE-SFHVURJKSA-N 1 1 375.856 3.900 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188166319 835404601 /nfs/dbraw/zinc/40/46/01/835404601.db2.gz ZCLLRTMXXOBMKQ-UHFFFAOYSA-N 1 1 379.526 3.901 20 5 GHBDMO COC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H](C)O1 ZINC000188373965 835814214 /nfs/dbraw/zinc/81/42/14/835814214.db2.gz GTHXVEMTZPCCGN-SWLSCSKDSA-N 1 1 380.828 3.744 20 5 GHBDMO COC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H](C)O1 ZINC000188373965 835814220 /nfs/dbraw/zinc/81/42/20/835814220.db2.gz GTHXVEMTZPCCGN-SWLSCSKDSA-N 1 1 380.828 3.744 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614191451 835911735 /nfs/dbraw/zinc/91/17/35/835911735.db2.gz CMBSDMVNGPODNJ-MAUKXSAKSA-N 1 1 380.448 3.736 20 5 GHBDMO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000154694044 835943056 /nfs/dbraw/zinc/94/30/56/835943056.db2.gz CTIGYJWYHPZHME-NPMXOYFQSA-N 1 1 397.294 3.567 20 5 GHBDMO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179713386 835954621 /nfs/dbraw/zinc/95/46/21/835954621.db2.gz OHCFXWVHUUWBMB-AWEZNQCLSA-N 1 1 379.363 3.536 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380429067 844132210 /nfs/dbraw/zinc/13/22/10/844132210.db2.gz ZMNHCACIQGVZJC-AWEZNQCLSA-N 1 1 380.370 3.943 20 5 GHBDMO CCOC1CC([N@H+](C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000582388016 836286841 /nfs/dbraw/zinc/28/68/41/836286841.db2.gz WBBVKEWEGMEFOX-UHFFFAOYSA-N 1 1 392.374 3.544 20 5 GHBDMO CCOC1CC([N@@H+](C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000582388016 836286851 /nfs/dbraw/zinc/28/68/51/836286851.db2.gz WBBVKEWEGMEFOX-UHFFFAOYSA-N 1 1 392.374 3.544 20 5 GHBDMO COc1cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180171980 836466010 /nfs/dbraw/zinc/46/60/10/836466010.db2.gz AHZWUVUABSKTGK-MNOVXSKESA-N 1 1 376.425 3.573 20 5 GHBDMO COc1cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180171980 836466012 /nfs/dbraw/zinc/46/60/12/836466012.db2.gz AHZWUVUABSKTGK-MNOVXSKESA-N 1 1 376.425 3.573 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175416570 836488881 /nfs/dbraw/zinc/48/88/81/836488881.db2.gz ILQPWMISWPPNIF-MRXNPFEDSA-N 1 1 387.867 3.842 20 5 GHBDMO COc1cc(C[N@@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000580343587 837336070 /nfs/dbraw/zinc/33/60/70/837336070.db2.gz SISVHZUDMHVGJB-IYARVYRRSA-N 1 1 386.448 3.615 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535668840 844288541 /nfs/dbraw/zinc/28/85/41/844288541.db2.gz JBLOEONNZSDMEA-UHFFFAOYSA-N 1 1 393.487 3.652 20 5 GHBDMO O=C(Nc1cccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000892675501 838215318 /nfs/dbraw/zinc/21/53/18/838215318.db2.gz BWZZICNCICCQHG-GOSISDBHSA-N 1 1 389.839 3.656 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000189727729 838389146 /nfs/dbraw/zinc/38/91/46/838389146.db2.gz FJDIAGGXLOMBOC-NRFANRHFSA-N 1 1 385.464 3.505 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188152785 838563103 /nfs/dbraw/zinc/56/31/03/838563103.db2.gz IMAZSABNFNVUNI-CQSZACIVSA-N 1 1 379.526 3.947 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378298880 838806469 /nfs/dbraw/zinc/80/64/69/838806469.db2.gz JKZFKQKWPDGYKV-UHFFFAOYSA-N 1 1 379.460 3.723 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000560992984 838892802 /nfs/dbraw/zinc/89/28/02/838892802.db2.gz IXBNIMOCOWYNJT-SFHVURJKSA-N 1 1 375.856 3.552 20 5 GHBDMO COc1cc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414863181 838909555 /nfs/dbraw/zinc/90/95/55/838909555.db2.gz YARZWPQITSNRTJ-VQIMIIECSA-N 1 1 399.491 3.660 20 5 GHBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC2 ZINC000500964424 844395203 /nfs/dbraw/zinc/39/52/03/844395203.db2.gz UHHNOTOSUQTYCY-MRXNPFEDSA-N 1 1 388.493 3.952 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000549233841 839428036 /nfs/dbraw/zinc/42/80/36/839428036.db2.gz LHGHAJWKMRIXBR-SFHVURJKSA-N 1 1 397.475 3.588 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000580391968 839466872 /nfs/dbraw/zinc/46/68/72/839466872.db2.gz UZDIZFDVZTUISQ-ZDUSSCGKSA-N 1 1 379.363 3.589 20 5 GHBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275924550 839886457 /nfs/dbraw/zinc/88/64/57/839886457.db2.gz GXGSDCNWDVDUEP-HRAATJIYSA-N 1 1 375.472 3.650 20 5 GHBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000513107599 844523667 /nfs/dbraw/zinc/52/36/67/844523667.db2.gz WRYSNCBZSWGKTE-XFFZJAGNSA-N 1 1 379.460 3.845 20 5 GHBDMO Cn1cc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511664988 840493536 /nfs/dbraw/zinc/49/35/36/840493536.db2.gz QLQTVINVMKZEGT-OAQYLSRUSA-N 1 1 392.459 3.741 20 5 GHBDMO C[N@H+](CCCOc1ccc(F)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052689166 844560154 /nfs/dbraw/zinc/56/01/54/844560154.db2.gz GXIMAZZKDBESCW-UHFFFAOYSA-N 1 1 386.383 3.685 20 5 GHBDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052689166 844560164 /nfs/dbraw/zinc/56/01/64/844560164.db2.gz GXIMAZZKDBESCW-UHFFFAOYSA-N 1 1 386.383 3.685 20 5 GHBDMO COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000417340703 840729980 /nfs/dbraw/zinc/72/99/80/840729980.db2.gz KFCMKZVOSPNWEW-WOJBJXKFSA-N 1 1 384.480 3.872 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000511803249 840812156 /nfs/dbraw/zinc/81/21/56/840812156.db2.gz VUVCHBXBCVRPSV-LJQANCHMSA-N 1 1 385.439 3.764 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000126246323 840846237 /nfs/dbraw/zinc/84/62/37/840846237.db2.gz SCYRUPOYBOTLEL-KRWDZBQOSA-N 1 1 388.512 3.755 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000511842690 840914181 /nfs/dbraw/zinc/91/41/81/840914181.db2.gz LSVPRLUXJXYTRE-MRXNPFEDSA-N 1 1 393.365 3.618 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000549532319 841429425 /nfs/dbraw/zinc/42/94/25/841429425.db2.gz RHZLTTOBSDVXHT-GFCCVEGCSA-N 1 1 395.385 3.989 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000549532319 841429432 /nfs/dbraw/zinc/42/94/32/841429432.db2.gz RHZLTTOBSDVXHT-GFCCVEGCSA-N 1 1 395.385 3.989 20 5 GHBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000123741194 841833157 /nfs/dbraw/zinc/83/31/57/841833157.db2.gz UJTWCFUETSJTTA-GOSISDBHSA-N 1 1 396.491 3.621 20 5 GHBDMO COc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110388232 841901966 /nfs/dbraw/zinc/90/19/66/841901966.db2.gz UHNOGZXWDUPCOP-YQQQUEKLSA-N 1 1 395.459 3.529 20 5 GHBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001266797192 842004694 /nfs/dbraw/zinc/00/46/94/842004694.db2.gz IEGFCTDQAVEOQH-HOTGVXAUSA-N 1 1 382.464 3.893 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c2c(c1)COCO2 ZINC000111261575 842035972 /nfs/dbraw/zinc/03/59/72/842035972.db2.gz RKBUJROUWYHUCH-UHFFFAOYSA-N 1 1 398.459 3.890 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000121448634 842081441 /nfs/dbraw/zinc/08/14/41/842081441.db2.gz JVQFEPKPWWEHJH-GDBMZVCRSA-N 1 1 399.422 3.910 20 5 GHBDMO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430647362 842086241 /nfs/dbraw/zinc/08/62/41/842086241.db2.gz FQBKTQYIEIZAQL-JXFKEZNVSA-N 1 1 381.476 3.940 20 5 GHBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000054011770 842092909 /nfs/dbraw/zinc/09/29/09/842092909.db2.gz QGBUBVLCRKQMFB-UHFFFAOYSA-N 1 1 394.431 3.981 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571767 861314809 /nfs/dbraw/zinc/31/48/09/861314809.db2.gz UPTCQTKLKFUHGW-LJQANCHMSA-N 1 1 383.448 3.551 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571767 861314829 /nfs/dbraw/zinc/31/48/29/861314829.db2.gz UPTCQTKLKFUHGW-LJQANCHMSA-N 1 1 383.448 3.551 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000512108742 842518752 /nfs/dbraw/zinc/51/87/52/842518752.db2.gz HSSXYEPXOZGTOP-CQSZACIVSA-N 1 1 377.510 3.867 20 5 GHBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430756482 842940073 /nfs/dbraw/zinc/94/00/73/842940073.db2.gz SYJXXJQWGUIAFP-SECBINFHSA-N 1 1 385.317 3.658 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000510578664 842996811 /nfs/dbraw/zinc/99/68/11/842996811.db2.gz KXVTVWNPLNGTJX-OAQYLSRUSA-N 1 1 395.503 3.741 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000302812447 861373870 /nfs/dbraw/zinc/37/38/70/861373870.db2.gz ZESTUSQLKRPGNU-MRXNPFEDSA-N 1 1 377.391 3.576 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000610665762 843452826 /nfs/dbraw/zinc/45/28/26/843452826.db2.gz UDKYTKWBVWERTR-UHFFFAOYSA-N 1 1 381.476 3.570 20 5 GHBDMO CC(C)Oc1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001126285230 843636500 /nfs/dbraw/zinc/63/65/00/843636500.db2.gz AHOWBYVTGVLBTD-IBGZPJMESA-N 1 1 397.475 3.776 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1c1ccccc1 ZINC000491114728 861505079 /nfs/dbraw/zinc/50/50/79/861505079.db2.gz BEKRIKUXUBVBME-IAGOWNOFSA-N 1 1 393.365 3.789 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000599681761 861521350 /nfs/dbraw/zinc/52/13/50/861521350.db2.gz ZYBCHLFFDHBFBU-DZGCQCFKSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000599681761 861521364 /nfs/dbraw/zinc/52/13/64/861521364.db2.gz ZYBCHLFFDHBFBU-DZGCQCFKSA-N 1 1 387.411 3.559 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000513216646 845050830 /nfs/dbraw/zinc/05/08/30/845050830.db2.gz GFGFICIEDZNVRS-SFHVURJKSA-N 1 1 379.416 3.735 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000433061393 845105173 /nfs/dbraw/zinc/10/51/73/845105173.db2.gz KOUOKIQJVNIAQL-QAPCUYQASA-N 1 1 397.475 3.982 20 5 GHBDMO CCc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000433061393 845105177 /nfs/dbraw/zinc/10/51/77/845105177.db2.gz KOUOKIQJVNIAQL-QAPCUYQASA-N 1 1 397.475 3.982 20 5 GHBDMO Cc1c(Br)cc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000120473287 845218026 /nfs/dbraw/zinc/21/80/26/845218026.db2.gz PMIIXKBGEABDEK-CYBMUJFWSA-N 1 1 398.301 3.516 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000131652092 861548474 /nfs/dbraw/zinc/54/84/74/861548474.db2.gz AOODPBPFNCCCTQ-INIZCTEOSA-N 1 1 382.464 3.654 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000131652092 861548478 /nfs/dbraw/zinc/54/84/78/861548478.db2.gz AOODPBPFNCCCTQ-INIZCTEOSA-N 1 1 382.464 3.654 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000611560692 845459102 /nfs/dbraw/zinc/45/91/02/845459102.db2.gz VKNLVGZDHYTKPE-QXAKKESOSA-N 1 1 386.496 3.849 20 5 GHBDMO C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182901907 845604681 /nfs/dbraw/zinc/60/46/81/845604681.db2.gz VERXLLIFNCEULL-IRXDYDNUSA-N 1 1 388.512 3.556 20 5 GHBDMO COC(=O)c1cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc(C)c1[N+](=O)[O-] ZINC000539188340 845957116 /nfs/dbraw/zinc/95/71/16/845957116.db2.gz LNRDFTMGUSXPQP-XHSDSOJGSA-N 1 1 375.469 3.531 20 5 GHBDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157686804 846087761 /nfs/dbraw/zinc/08/77/61/846087761.db2.gz QWSGZSNFHGHVGY-LLVKDONJSA-N 1 1 393.875 3.797 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000151168085 846243171 /nfs/dbraw/zinc/24/31/71/846243171.db2.gz ZSOJDHSQZXTTCV-KRWDZBQOSA-N 1 1 388.512 3.510 20 5 GHBDMO COc1cc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])cc1F ZINC000551443685 846383540 /nfs/dbraw/zinc/38/35/40/846383540.db2.gz GLTPBWXULHGJRF-UHFFFAOYSA-N 1 1 395.381 3.733 20 5 GHBDMO COc1cc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])cc1F ZINC000551443685 846383550 /nfs/dbraw/zinc/38/35/50/846383550.db2.gz GLTPBWXULHGJRF-UHFFFAOYSA-N 1 1 395.381 3.733 20 5 GHBDMO COc1cccc(C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCO2)c1 ZINC000065537864 846923184 /nfs/dbraw/zinc/92/31/84/846923184.db2.gz XMQORVJWFKDOCB-NRFANRHFSA-N 1 1 386.448 3.663 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c2cccnc21 ZINC000413235043 847004034 /nfs/dbraw/zinc/00/40/34/847004034.db2.gz FYERYOYWRZMBHO-SFHVURJKSA-N 1 1 392.459 3.712 20 5 GHBDMO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000126354888 847022736 /nfs/dbraw/zinc/02/27/36/847022736.db2.gz UHMHGQTWGHQTIX-HXUWFJFHSA-N 1 1 383.448 3.614 20 5 GHBDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000126354888 847022745 /nfs/dbraw/zinc/02/27/45/847022745.db2.gz UHMHGQTWGHQTIX-HXUWFJFHSA-N 1 1 383.448 3.614 20 5 GHBDMO COc1ccc(-c2noc([C@H](C)[N@H+](C)CCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000511108292 847029704 /nfs/dbraw/zinc/02/97/04/847029704.db2.gz MRILKVYRVFZZOC-AWEZNQCLSA-N 1 1 382.420 3.889 20 5 GHBDMO COc1ccc(-c2noc([C@H](C)[N@@H+](C)CCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000511108292 847029712 /nfs/dbraw/zinc/02/97/12/847029712.db2.gz MRILKVYRVFZZOC-AWEZNQCLSA-N 1 1 382.420 3.889 20 5 GHBDMO COc1cc(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)c([N+](=O)[O-])cc1OC ZINC000158266035 847160890 /nfs/dbraw/zinc/16/08/90/847160890.db2.gz CBOGJDVKNWZRPT-UHFFFAOYSA-N 1 1 399.447 3.836 20 5 GHBDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000128578164 861861638 /nfs/dbraw/zinc/86/16/38/861861638.db2.gz JAZYHIDNIJNQII-LLVKDONJSA-N 1 1 380.445 3.829 20 5 GHBDMO O=C(CCNCC1([NH+]2CCCCC2)CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000548761478 848229929 /nfs/dbraw/zinc/22/99/29/848229929.db2.gz QVXKQRYIWQBQQS-UHFFFAOYSA-N 1 1 388.512 3.702 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000162678550 861885169 /nfs/dbraw/zinc/88/51/69/861885169.db2.gz YRSSPHUVBFIEGF-RDTXWAMCSA-N 1 1 389.521 3.796 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(C)C ZINC000426417422 850078844 /nfs/dbraw/zinc/07/88/44/850078844.db2.gz AXLZYEQHKBWINX-UHFFFAOYSA-N 1 1 385.464 3.634 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000843740289 850150075 /nfs/dbraw/zinc/15/00/75/850150075.db2.gz HQCNNJCNTDDRGP-FXAWDEMLSA-N 1 1 399.878 3.934 20 5 GHBDMO CCOc1cc(NCc2ccccc2C[NH+]2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000486968808 850287598 /nfs/dbraw/zinc/28/75/98/850287598.db2.gz JVEKJEOHRHKYAR-UHFFFAOYSA-N 1 1 398.507 3.743 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487292932 850639420 /nfs/dbraw/zinc/63/94/20/850639420.db2.gz ATLNLOXSHMSRCN-YJBOKZPZSA-N 1 1 399.516 3.957 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Cc1ccccc1 ZINC000435938241 851011248 /nfs/dbraw/zinc/01/12/48/851011248.db2.gz RFNNDHNILRXXRD-UHFFFAOYSA-N 1 1 399.494 3.933 20 5 GHBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000440312537 851029512 /nfs/dbraw/zinc/02/95/12/851029512.db2.gz FFFXOAGLAISNNH-CYBMUJFWSA-N 1 1 385.251 3.642 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000515503108 851122766 /nfs/dbraw/zinc/12/27/66/851122766.db2.gz VIOXSDUQJDGHPI-GOSISDBHSA-N 1 1 376.840 3.653 20 5 GHBDMO COc1ccc(C[N@H+]2CCCO[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514085098 851221464 /nfs/dbraw/zinc/22/14/64/851221464.db2.gz SXXXNUBOFFTNIN-MRXNPFEDSA-N 1 1 386.448 3.793 20 5 GHBDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425472246 851264396 /nfs/dbraw/zinc/26/43/96/851264396.db2.gz HAGINVUDCHHPKR-UHFFFAOYSA-N 1 1 381.274 3.749 20 5 GHBDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425472246 851264407 /nfs/dbraw/zinc/26/44/07/851264407.db2.gz HAGINVUDCHHPKR-UHFFFAOYSA-N 1 1 381.274 3.749 20 5 GHBDMO CC(C)c1nc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000515683481 851333045 /nfs/dbraw/zinc/33/30/45/851333045.db2.gz LTQXMLHDJLAFMG-QGZVFWFLSA-N 1 1 385.493 3.830 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CCc1cccs1 ZINC000488296107 851370914 /nfs/dbraw/zinc/37/09/14/851370914.db2.gz QQHUTULDEAZREV-UHFFFAOYSA-N 1 1 377.466 3.558 20 5 GHBDMO CC[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)[N@H+]1CCc2ccccc2C1 ZINC000514226814 851423509 /nfs/dbraw/zinc/42/35/09/851423509.db2.gz LTLZMCHENVXPIM-SFHVURJKSA-N 1 1 382.464 3.862 20 5 GHBDMO CCOc1ccc(C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000604493443 862250674 /nfs/dbraw/zinc/25/06/74/862250674.db2.gz QZCGHHRTOOZQDE-UHFFFAOYSA-N 1 1 385.464 3.867 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000604529864 862282729 /nfs/dbraw/zinc/28/27/29/862282729.db2.gz WMCQRORIAURPJT-UHFFFAOYSA-N 1 1 375.388 3.500 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175172290 851761552 /nfs/dbraw/zinc/76/15/52/851761552.db2.gz ANIKVPMISIEXFU-LJQANCHMSA-N 1 1 396.491 3.648 20 5 GHBDMO CCN(CC)[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000604532167 862283982 /nfs/dbraw/zinc/28/39/82/862283982.db2.gz CLCUNDXXYHGXMQ-IBGZPJMESA-N 1 1 385.464 3.539 20 5 GHBDMO Cc1c(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000025042042 851818214 /nfs/dbraw/zinc/81/82/14/851818214.db2.gz AFNDYGIFMNOTAA-GASCZTMLSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1c(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000025042042 851818219 /nfs/dbraw/zinc/81/82/19/851818219.db2.gz AFNDYGIFMNOTAA-GASCZTMLSA-N 1 1 383.448 3.765 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000151305340 851887823 /nfs/dbraw/zinc/88/78/23/851887823.db2.gz DQBVBFIAPJSWRY-UHFFFAOYSA-N 1 1 396.491 3.921 20 5 GHBDMO Cc1ccc([C@H](C)[NH2+]Cc2sc(N3CCOCC3)nc2Cl)cc1[N+](=O)[O-] ZINC000894315314 851934836 /nfs/dbraw/zinc/93/48/36/851934836.db2.gz COEAXAKYQJGYFE-LBPRGKRZSA-N 1 1 396.900 3.701 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-n2cccn2)c(F)c1 ZINC000550225792 852047524 /nfs/dbraw/zinc/04/75/24/852047524.db2.gz QCVVYWAXUMGCKS-CYBMUJFWSA-N 1 1 398.394 3.637 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000489164013 852065529 /nfs/dbraw/zinc/06/55/29/852065529.db2.gz SACZJTNFHWVUEJ-OKILXGFUSA-N 1 1 399.438 3.684 20 5 GHBDMO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000516080545 852127217 /nfs/dbraw/zinc/12/72/17/852127217.db2.gz KWOVXKBRSCUBRB-AUUYWEPGSA-N 1 1 384.411 3.614 20 5 GHBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000519575250 852169405 /nfs/dbraw/zinc/16/94/05/852169405.db2.gz KQMXTJCHOUMDJV-URLQWDBASA-N 1 1 387.505 3.959 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000555986542 862341832 /nfs/dbraw/zinc/34/18/32/862341832.db2.gz MMNPZEADNOQQTI-MRXNPFEDSA-N 1 1 377.488 3.676 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000489441579 852322889 /nfs/dbraw/zinc/32/28/89/852322889.db2.gz TWSTVTCNRQTQPZ-HNNXBMFYSA-N 1 1 388.443 3.535 20 5 GHBDMO COc1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000489681504 852529273 /nfs/dbraw/zinc/52/92/73/852529273.db2.gz USPVUGKYIOMJPU-UHFFFAOYSA-N 1 1 383.492 3.947 20 5 GHBDMO COc1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000489681504 852529278 /nfs/dbraw/zinc/52/92/78/852529278.db2.gz USPVUGKYIOMJPU-UHFFFAOYSA-N 1 1 383.492 3.947 20 5 GHBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044325490 852693609 /nfs/dbraw/zinc/69/36/09/852693609.db2.gz ASKXVZFXXQYDIV-OAHLLOKOSA-N 1 1 379.869 3.877 20 5 GHBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000550008826 852927090 /nfs/dbraw/zinc/92/70/90/852927090.db2.gz KCDIJDALRZUGPZ-UHFFFAOYSA-N 1 1 396.491 3.746 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000518317416 853194329 /nfs/dbraw/zinc/19/43/29/853194329.db2.gz RNZBOPIAAZWWTL-DOTOQJQBSA-N 1 1 377.510 3.509 20 5 GHBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140169139 853506109 /nfs/dbraw/zinc/50/61/09/853506109.db2.gz PUZBTORXDBROLK-JEJOPICUSA-N 1 1 385.489 3.698 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437840503 853581746 /nfs/dbraw/zinc/58/17/46/853581746.db2.gz MCTWHSDCBHQCMJ-QGZVFWFLSA-N 1 1 379.888 3.704 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000067361660 853624348 /nfs/dbraw/zinc/62/43/48/853624348.db2.gz KIAHLSFWVFCNAE-INIZCTEOSA-N 1 1 387.867 3.890 20 5 GHBDMO CSCCC[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000439499313 853725692 /nfs/dbraw/zinc/72/56/92/853725692.db2.gz ZPIXBDKSWKVTNO-GFCCVEGCSA-N 1 1 394.522 3.730 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000763989739 862495287 /nfs/dbraw/zinc/49/52/87/862495287.db2.gz AEFZFUOEGPFTES-RRMPHLOHSA-N 1 1 398.459 3.943 20 5 GHBDMO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000571559135 853948899 /nfs/dbraw/zinc/94/88/99/853948899.db2.gz IRNRASCWXRAZES-IBGZPJMESA-N 1 1 383.448 3.576 20 5 GHBDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000571559135 853948902 /nfs/dbraw/zinc/94/89/02/853948902.db2.gz IRNRASCWXRAZES-IBGZPJMESA-N 1 1 383.448 3.576 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn2ccc(Br)cc2n1 ZINC000571646883 853966585 /nfs/dbraw/zinc/96/65/85/853966585.db2.gz VUOHDJMOFAZYQC-UHFFFAOYSA-N 1 1 389.253 3.680 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000571723879 854027663 /nfs/dbraw/zinc/02/76/63/854027663.db2.gz JMTZHEZHWPIFDD-UHFFFAOYSA-N 1 1 390.390 3.613 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000571723879 854027668 /nfs/dbraw/zinc/02/76/68/854027668.db2.gz JMTZHEZHWPIFDD-UHFFFAOYSA-N 1 1 390.390 3.613 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000133462418 862557436 /nfs/dbraw/zinc/55/74/36/862557436.db2.gz FZLUSMNXWPURKJ-INIZCTEOSA-N 1 1 383.448 3.559 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000588771329 854411578 /nfs/dbraw/zinc/41/15/78/854411578.db2.gz XRDGXMZFILLSBQ-KBXCAEBGSA-N 1 1 385.489 3.710 20 5 GHBDMO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000171051803 862567189 /nfs/dbraw/zinc/56/71/89/862567189.db2.gz CMVCXRSDJHFWEL-CALCHBBNSA-N 1 1 387.480 3.834 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466588055 862568891 /nfs/dbraw/zinc/56/88/91/862568891.db2.gz ISERLPSZBAIRDK-GASCZTMLSA-N 1 1 396.919 3.806 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248372707 854706485 /nfs/dbraw/zinc/70/64/85/854706485.db2.gz BZCZTIRZLKCAPO-GXTWGEPZSA-N 1 1 385.917 3.529 20 5 GHBDMO CCn1ccc(C[N@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000589261292 854765117 /nfs/dbraw/zinc/76/51/17/854765117.db2.gz HZTXIOWAOXMJMS-UHFFFAOYSA-N 1 1 399.232 3.653 20 5 GHBDMO CCn1ccc(C[N@@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000589261292 854765120 /nfs/dbraw/zinc/76/51/20/854765120.db2.gz HZTXIOWAOXMJMS-UHFFFAOYSA-N 1 1 399.232 3.653 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000609546295 855013017 /nfs/dbraw/zinc/01/30/17/855013017.db2.gz ADPAEMXSCRZHOT-CVEARBPZSA-N 1 1 376.501 3.856 20 5 GHBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)[N@@H+](C)Cc1ccccc1 ZINC000301506283 855186158 /nfs/dbraw/zinc/18/61/58/855186158.db2.gz BICZAIZMHJJJHJ-GFCCVEGCSA-N 1 1 379.258 3.685 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000590157783 855302613 /nfs/dbraw/zinc/30/26/13/855302613.db2.gz JXMLOMYXPUSYLF-UHFFFAOYSA-N 1 1 395.385 3.531 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000572985764 855452983 /nfs/dbraw/zinc/45/29/83/855452983.db2.gz OYKAMOQAFDTZIU-INIZCTEOSA-N 1 1 394.491 3.637 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542714080 855527512 /nfs/dbraw/zinc/52/75/12/855527512.db2.gz PCRPCCYYVXWFOL-GJZGRUSLSA-N 1 1 386.427 3.861 20 5 GHBDMO O=C(NC1CC1)c1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000590659585 855535868 /nfs/dbraw/zinc/53/58/68/855535868.db2.gz LSPYVRWTRHMPRJ-IBGZPJMESA-N 1 1 379.460 3.867 20 5 GHBDMO CC[NH+](CC)CC1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000057847357 855763241 /nfs/dbraw/zinc/76/32/41/855763241.db2.gz ZQESPIIZMPDOHN-HNNXBMFYSA-N 1 1 387.484 3.760 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000573281758 856008882 /nfs/dbraw/zinc/00/88/82/856008882.db2.gz SJTRVNGKYZSNCL-GUYCJALGSA-N 1 1 396.451 3.565 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000499427891 856209939 /nfs/dbraw/zinc/20/99/39/856209939.db2.gz NYBPXWXJFQXHDH-CVEARBPZSA-N 1 1 392.459 3.811 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499427891 856209950 /nfs/dbraw/zinc/20/99/50/856209950.db2.gz NYBPXWXJFQXHDH-CVEARBPZSA-N 1 1 392.459 3.811 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485229811 856236360 /nfs/dbraw/zinc/23/63/60/856236360.db2.gz LAIKJSLDZOFKGO-BBWFWOEESA-N 1 1 388.512 3.635 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542871703 856237329 /nfs/dbraw/zinc/23/73/29/856237329.db2.gz AIXFQKBUMIPTIZ-CYBMUJFWSA-N 1 1 385.411 3.581 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1ccc(Cl)cc1Cl ZINC000474012189 856269284 /nfs/dbraw/zinc/26/92/84/856269284.db2.gz NTLNOFJXZMYHAK-LBPRGKRZSA-N 1 1 386.260 3.858 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000058299769 856565949 /nfs/dbraw/zinc/56/59/49/856565949.db2.gz XZQVLUALPBPVLX-RBUKOAKNSA-N 1 1 381.432 3.744 20 5 GHBDMO Cc1nc(C)c(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)s1 ZINC000592131014 856670661 /nfs/dbraw/zinc/67/06/61/856670661.db2.gz PQPKHZCAGHEBTA-QAQDUYKDSA-N 1 1 375.494 3.974 20 5 GHBDMO Cc1cnc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c(C)c1 ZINC000592132235 856674979 /nfs/dbraw/zinc/67/49/79/856674979.db2.gz DBDPDPGMINCKAH-MXVIHJGJSA-N 1 1 383.492 3.955 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+]C2(c3ccccc3F)CCC2)c([N+](=O)[O-])c1 ZINC000592144207 856695864 /nfs/dbraw/zinc/69/58/64/856695864.db2.gz DBBPXZAIAXVQGO-UHFFFAOYSA-N 1 1 387.411 3.740 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[C@@H](SCC)C2)c([N+](=O)[O-])c1 ZINC000245457712 856874627 /nfs/dbraw/zinc/87/46/27/856874627.db2.gz UKRMAMAQNWFNAA-UKRRQHHQSA-N 1 1 381.498 3.538 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(Br)cs3)C2)nc1 ZINC000173466918 856946458 /nfs/dbraw/zinc/94/64/58/856946458.db2.gz DBXNVSVDEMFKRG-LLVKDONJSA-N 1 1 383.271 3.500 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(Br)cs3)C2)nc1 ZINC000173466918 856946463 /nfs/dbraw/zinc/94/64/63/856946463.db2.gz DBXNVSVDEMFKRG-LLVKDONJSA-N 1 1 383.271 3.500 20 5 GHBDMO COc1ccccc1C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H]1CCCO1 ZINC000485743576 857035312 /nfs/dbraw/zinc/03/53/12/857035312.db2.gz KIAOULOVRDMZGZ-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1ccccc1C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H]1CCCO1 ZINC000485743576 857035320 /nfs/dbraw/zinc/03/53/20/857035320.db2.gz KIAOULOVRDMZGZ-GOSISDBHSA-N 1 1 386.448 3.793 20 5 GHBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000159633490 862865188 /nfs/dbraw/zinc/86/51/88/862865188.db2.gz WUSDNTRUYURQBQ-HIFRSBDPSA-N 1 1 387.411 3.612 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000173651148 857055469 /nfs/dbraw/zinc/05/54/69/857055469.db2.gz UCVXBGGLOBGTLH-LJQANCHMSA-N 1 1 397.475 3.771 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000173653049 857062296 /nfs/dbraw/zinc/06/22/96/857062296.db2.gz YUYDFINLHRMIDO-LJQANCHMSA-N 1 1 397.475 3.771 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000485860549 857163309 /nfs/dbraw/zinc/16/33/09/857163309.db2.gz UJIJXLKCYGGMPE-UHFFFAOYSA-N 1 1 383.448 3.607 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)cc1 ZINC000245808930 857177928 /nfs/dbraw/zinc/17/79/28/857177928.db2.gz BXHFKCFXIXEPCY-RTBURBONSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)cc1 ZINC000245808930 857177931 /nfs/dbraw/zinc/17/79/31/857177931.db2.gz BXHFKCFXIXEPCY-RTBURBONSA-N 1 1 398.850 3.905 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000485879857 857181715 /nfs/dbraw/zinc/18/17/15/857181715.db2.gz HFFHKAWFBWBJFM-UHFFFAOYSA-N 1 1 383.448 3.607 20 5 GHBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000245886398 857189888 /nfs/dbraw/zinc/18/98/88/857189888.db2.gz CYEPYSUALARTGO-OLMNPRSZSA-N 1 1 399.447 3.598 20 5 GHBDMO Cc1c(CC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000245962997 857207362 /nfs/dbraw/zinc/20/73/62/857207362.db2.gz SRGSPRHVELSYOB-OXJNMPFZSA-N 1 1 387.505 3.707 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC1CCCCC1)C1CC1 ZINC000059409449 862890009 /nfs/dbraw/zinc/89/00/09/862890009.db2.gz YOPAYJGZAVDEHQ-UHFFFAOYSA-N 1 1 375.469 3.977 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000593075711 857337437 /nfs/dbraw/zinc/33/74/37/857337437.db2.gz RFYQESRRHGJWHM-AUUYWEPGSA-N 1 1 391.468 3.537 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000246683685 857431612 /nfs/dbraw/zinc/43/16/12/857431612.db2.gz XZORRPZPJHPSNZ-SJCJKPOMSA-N 1 1 377.441 3.608 20 5 GHBDMO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255079144 857445971 /nfs/dbraw/zinc/44/59/71/857445971.db2.gz NSQRSKPGYROTCU-YWEYNIOJSA-N 1 1 397.450 3.524 20 5 GHBDMO O=C(Cc1cccc(F)c1)N1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255079144 857445977 /nfs/dbraw/zinc/44/59/77/857445977.db2.gz NSQRSKPGYROTCU-YWEYNIOJSA-N 1 1 397.450 3.524 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000521172917 857703014 /nfs/dbraw/zinc/70/30/14/857703014.db2.gz KPIXPARHBHKNOJ-ZDUSSCGKSA-N 1 1 376.844 3.890 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001128347335 857908241 /nfs/dbraw/zinc/90/82/41/857908241.db2.gz LKXBUXHVYROBON-BDTNDASRSA-N 1 1 393.487 3.725 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000114192869 857935868 /nfs/dbraw/zinc/93/58/68/857935868.db2.gz CBDSUPDSNHWMKT-OAQYLSRUSA-N 1 1 397.475 3.604 20 5 GHBDMO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)[C@@H]1c1ccccc1 ZINC000301831242 858120227 /nfs/dbraw/zinc/12/02/27/858120227.db2.gz IETXVMOHJKTHTC-CABCVRRESA-N 1 1 377.242 3.610 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)[C@@H]1c1ccccc1 ZINC000301831242 858120230 /nfs/dbraw/zinc/12/02/30/858120230.db2.gz IETXVMOHJKTHTC-CABCVRRESA-N 1 1 377.242 3.610 20 5 GHBDMO Cc1cccc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000066676157 858241850 /nfs/dbraw/zinc/24/18/50/858241850.db2.gz IAJUSUPNPLSHKW-UHFFFAOYSA-N 1 1 381.476 3.887 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000184888741 858266491 /nfs/dbraw/zinc/26/64/91/858266491.db2.gz ZEDSCIFPFNFMEM-OPYAIIAOSA-N 1 1 385.508 3.639 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000184888345 858281008 /nfs/dbraw/zinc/28/10/08/858281008.db2.gz NAYZEFVFZBQXKE-RTBURBONSA-N 1 1 375.513 3.648 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000301859117 858313132 /nfs/dbraw/zinc/31/31/32/858313132.db2.gz CXKGJIQNAYHAAM-JKSUJKDBSA-N 1 1 395.381 3.661 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000066853198 858321910 /nfs/dbraw/zinc/32/19/10/858321910.db2.gz RTOLIRSUXVXTST-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000066853198 858321918 /nfs/dbraw/zinc/32/19/18/858321918.db2.gz RTOLIRSUXVXTST-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000595006180 858364599 /nfs/dbraw/zinc/36/45/99/858364599.db2.gz GIKVXNWGUPLZQK-NSHDSACASA-N 1 1 385.342 3.790 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CCN([C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000595102735 858405418 /nfs/dbraw/zinc/40/54/18/858405418.db2.gz LNMIMKBCFHKTRV-VXKWHMMOSA-N 1 1 381.476 3.527 20 5 GHBDMO Cc1nn(C)c(NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301871677 858464691 /nfs/dbraw/zinc/46/46/91/858464691.db2.gz IXZAADHNBBGMMA-BLLLJJGKSA-N 1 1 381.839 3.534 20 5 GHBDMO Cc1nn(C)c(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301871677 858464695 /nfs/dbraw/zinc/46/46/95/858464695.db2.gz IXZAADHNBBGMMA-BLLLJJGKSA-N 1 1 381.839 3.534 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000593020622 858542705 /nfs/dbraw/zinc/54/27/05/858542705.db2.gz QJCOWNURUSKSPT-LLVKDONJSA-N 1 1 380.347 3.834 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c2c(c1)COCO2 ZINC000115558586 858566643 /nfs/dbraw/zinc/56/66/43/858566643.db2.gz MHGOAPFGYZHDHC-UHFFFAOYSA-N 1 1 388.395 3.644 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595764328 858662438 /nfs/dbraw/zinc/66/24/38/858662438.db2.gz GYZUTNVJOSSRIE-QVKFZJNVSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595764328 858662440 /nfs/dbraw/zinc/66/24/40/858662440.db2.gz GYZUTNVJOSSRIE-QVKFZJNVSA-N 1 1 383.448 3.594 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H](CCF)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000595755019 858676403 /nfs/dbraw/zinc/67/64/03/858676403.db2.gz DZTVIQUTUVPMAK-CYBMUJFWSA-N 1 1 392.456 3.728 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H](CCF)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000595755019 858676406 /nfs/dbraw/zinc/67/64/06/858676406.db2.gz DZTVIQUTUVPMAK-CYBMUJFWSA-N 1 1 392.456 3.728 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)s1 ZINC000595913670 858717715 /nfs/dbraw/zinc/71/77/15/858717715.db2.gz JDEWNUPPTQRBGS-CQSZACIVSA-N 1 1 375.450 3.526 20 5 GHBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596128123 858787190 /nfs/dbraw/zinc/78/71/90/858787190.db2.gz DZPIVJFXCUAWSO-ZDUSSCGKSA-N 1 1 380.370 3.892 20 5 GHBDMO COc1ccc([C@@H](NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000429264763 858866905 /nfs/dbraw/zinc/86/69/05/858866905.db2.gz NOGBQNDTGCLULS-NRFANRHFSA-N 1 1 399.491 3.942 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)O1 ZINC000596613465 858967714 /nfs/dbraw/zinc/96/77/14/858967714.db2.gz FZZZLZPXRDRJJM-FZKQIMNGSA-N 1 1 398.394 3.746 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)O1 ZINC000596613465 858967722 /nfs/dbraw/zinc/96/77/22/858967722.db2.gz FZZZLZPXRDRJJM-FZKQIMNGSA-N 1 1 398.394 3.746 20 5 GHBDMO CCc1nn(C)c(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000301921201 859014420 /nfs/dbraw/zinc/01/44/20/859014420.db2.gz DNLVVPHQTJTEHX-AWEZNQCLSA-N 1 1 397.401 3.596 20 5 GHBDMO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552959 881379178 /nfs/dbraw/zinc/37/91/78/881379178.db2.gz IZWMEJULVIYVLB-HSTAZWAASA-N 1 1 396.491 3.608 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552959 881379198 /nfs/dbraw/zinc/37/91/98/881379198.db2.gz IZWMEJULVIYVLB-HSTAZWAASA-N 1 1 396.491 3.608 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000483095742 859133528 /nfs/dbraw/zinc/13/35/28/859133528.db2.gz AKFMMOJMNUKJEC-UHFFFAOYSA-N 1 1 377.510 3.511 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483097742 859135129 /nfs/dbraw/zinc/13/51/29/859135129.db2.gz MWOBDCSFHFXZKZ-HNNXBMFYSA-N 1 1 385.395 3.521 20 5 GHBDMO O=C(C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000483119545 859148065 /nfs/dbraw/zinc/14/80/65/859148065.db2.gz JDEBABNHSOYTQK-ZDUSSCGKSA-N 1 1 377.803 3.815 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000483119545 859148070 /nfs/dbraw/zinc/14/80/70/859148070.db2.gz JDEBABNHSOYTQK-ZDUSSCGKSA-N 1 1 377.803 3.815 20 5 GHBDMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000487436392 859175639 /nfs/dbraw/zinc/17/56/39/859175639.db2.gz GERVTXIUJYDMEQ-UHFFFAOYSA-N 1 1 393.443 3.962 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000543644937 859197715 /nfs/dbraw/zinc/19/77/15/859197715.db2.gz SVNRNUYQACXUFF-IRXDYDNUSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000543644937 859197716 /nfs/dbraw/zinc/19/77/16/859197716.db2.gz SVNRNUYQACXUFF-IRXDYDNUSA-N 1 1 392.818 3.954 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000069016433 859295773 /nfs/dbraw/zinc/29/57/73/859295773.db2.gz WLUAHUBTXWRXLC-SFHVURJKSA-N 1 1 382.464 3.937 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001170355216 881405244 /nfs/dbraw/zinc/40/52/44/881405244.db2.gz XSQSUIXCLINMAY-KXBFYZLASA-N 1 1 383.448 3.638 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001170355216 881405253 /nfs/dbraw/zinc/40/52/53/881405253.db2.gz XSQSUIXCLINMAY-KXBFYZLASA-N 1 1 383.448 3.638 20 5 GHBDMO CC[N@H+](CCCO)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000764280106 859348539 /nfs/dbraw/zinc/34/85/39/859348539.db2.gz PMTIDYJRTSXNEL-SFHVURJKSA-N 1 1 391.855 3.632 20 5 GHBDMO CC[N@@H+](CCCO)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000764280106 859348544 /nfs/dbraw/zinc/34/85/44/859348544.db2.gz PMTIDYJRTSXNEL-SFHVURJKSA-N 1 1 391.855 3.632 20 5 GHBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597224604 859374690 /nfs/dbraw/zinc/37/46/90/859374690.db2.gz MEYXYIIIGUXHON-MRXNPFEDSA-N 1 1 388.493 3.511 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)s1 ZINC000597256133 859381342 /nfs/dbraw/zinc/38/13/42/859381342.db2.gz WPHZBGWTJPNZAW-CQSZACIVSA-N 1 1 375.450 3.526 20 5 GHBDMO COc1cc(C[N@H+](C)CC2=CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597245731 859391391 /nfs/dbraw/zinc/39/13/91/859391391.db2.gz OLDLSIQWXNBDDN-UHFFFAOYSA-N 1 1 392.399 3.650 20 5 GHBDMO COc1cc(C[N@@H+](C)CC2=CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597245731 859391397 /nfs/dbraw/zinc/39/13/97/859391397.db2.gz OLDLSIQWXNBDDN-UHFFFAOYSA-N 1 1 392.399 3.650 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1F ZINC000764614191 859534510 /nfs/dbraw/zinc/53/45/10/859534510.db2.gz UDFBKLYDTXLBHY-WBVHZDCISA-N 1 1 385.439 3.825 20 5 GHBDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000117892052 859651534 /nfs/dbraw/zinc/65/15/34/859651534.db2.gz KQYNAGNDORCLMA-IBGZPJMESA-N 1 1 383.448 3.557 20 5 GHBDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000117892052 859651541 /nfs/dbraw/zinc/65/15/41/859651541.db2.gz KQYNAGNDORCLMA-IBGZPJMESA-N 1 1 383.448 3.557 20 5 GHBDMO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185184535 859671936 /nfs/dbraw/zinc/67/19/36/859671936.db2.gz TWLCAGBOGSVPBG-SJLPKXTDSA-N 1 1 399.466 3.518 20 5 GHBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266778 859673909 /nfs/dbraw/zinc/67/39/09/859673909.db2.gz MGUKSCGEUSPLLU-VGOFRKELSA-N 1 1 398.459 3.966 20 5 GHBDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000764952711 859695481 /nfs/dbraw/zinc/69/54/81/859695481.db2.gz BUQLGKCKGLLQBN-INIZCTEOSA-N 1 1 397.504 3.856 20 5 GHBDMO Cc1c(CNC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000484105581 859807973 /nfs/dbraw/zinc/80/79/73/859807973.db2.gz CLYGAVWBOUWNHJ-MRXNPFEDSA-N 1 1 398.463 3.618 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597860005 859876977 /nfs/dbraw/zinc/87/69/77/859876977.db2.gz JMZPFYCXFWJWJP-GFCCVEGCSA-N 1 1 398.301 3.516 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351235 881489013 /nfs/dbraw/zinc/48/90/13/881489013.db2.gz BQEXBIBMTIEIHJ-CABCVRRESA-N 1 1 378.469 3.588 20 5 GHBDMO C[C@H](c1cccc(NCc2nc3cc([N+](=O)[O-])ccc3o2)c1)[NH+]1CCOCC1 ZINC000602494265 860059718 /nfs/dbraw/zinc/05/97/18/860059718.db2.gz GBMPURGNMPDQHV-CQSZACIVSA-N 1 1 382.420 3.741 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1cccs1 ZINC000602549415 860095790 /nfs/dbraw/zinc/09/57/90/860095790.db2.gz CWGIAVGZRQKWEX-DJJJIMSYSA-N 1 1 386.477 3.970 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218521 860164394 /nfs/dbraw/zinc/16/43/94/860164394.db2.gz HBWONKONNJMHSG-CABCVRRESA-N 1 1 377.510 3.599 20 5 GHBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602694423 860207180 /nfs/dbraw/zinc/20/71/80/860207180.db2.gz RHXCGCXTVQZJDW-OAHLLOKOSA-N 1 1 385.386 3.591 20 5 GHBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000093414742 860267568 /nfs/dbraw/zinc/26/75/68/860267568.db2.gz IXDXVPUINQXSDN-UHFFFAOYSA-N 1 1 380.448 3.650 20 5 GHBDMO COCC[N@H+]1CCC[C@H]1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000727826999 860281447 /nfs/dbraw/zinc/28/14/47/860281447.db2.gz PLFOUQOWHRVQNV-JTQLQIEISA-N 1 1 381.782 3.790 20 5 GHBDMO COc1cc(C[N@@H+]2CCOC3(CCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093640633 860323922 /nfs/dbraw/zinc/32/39/22/860323922.db2.gz BQSXWPAATJPADG-UHFFFAOYSA-N 1 1 398.459 3.937 20 5 GHBDMO COc1cc(C[N@H+]2CCOC3(CCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093640633 860323929 /nfs/dbraw/zinc/32/39/29/860323929.db2.gz BQSXWPAATJPADG-UHFFFAOYSA-N 1 1 398.459 3.937 20 5 GHBDMO Cc1ccc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000093815512 860355242 /nfs/dbraw/zinc/35/52/42/860355242.db2.gz XOZAFUZRUHRVAZ-QGZVFWFLSA-N 1 1 379.254 3.831 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598511553 860371806 /nfs/dbraw/zinc/37/18/06/860371806.db2.gz SRCQCTTUSHJXFV-KRWDZBQOSA-N 1 1 385.489 3.711 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000598511553 860371807 /nfs/dbraw/zinc/37/18/07/860371807.db2.gz SRCQCTTUSHJXFV-KRWDZBQOSA-N 1 1 385.489 3.711 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552250087 860408482 /nfs/dbraw/zinc/40/84/82/860408482.db2.gz UYGWJKJCSMKQRQ-XLIONFOSSA-N 1 1 399.539 3.908 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598891822 860653282 /nfs/dbraw/zinc/65/32/82/860653282.db2.gz FWLQOXYQQYCGGV-UHFFFAOYSA-N 1 1 382.464 3.505 20 5 GHBDMO C[C@H]([NH2+][C@H](CO)c1ccc(Br)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000429000960 860655685 /nfs/dbraw/zinc/65/56/85/860655685.db2.gz AORRXQQLAQVKAI-MGPLVRAMSA-N 1 1 383.217 3.881 20 5 GHBDMO Cc1cc(C2([NH2+]Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCOCC2)on1 ZINC000599020273 860743158 /nfs/dbraw/zinc/74/31/58/860743158.db2.gz KRJRDPQEYNNBKX-UHFFFAOYSA-N 1 1 383.404 3.947 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000599058293 860767465 /nfs/dbraw/zinc/76/74/65/860767465.db2.gz HFYFHLJYMPLUIN-MTQWCTHYSA-N 1 1 394.862 3.999 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)[nH+]c1C ZINC000899504243 860941595 /nfs/dbraw/zinc/94/15/95/860941595.db2.gz NQVSIJUUPSODPA-UHFFFAOYSA-N 1 1 397.479 3.555 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000249112275 863144748 /nfs/dbraw/zinc/14/47/48/863144748.db2.gz CGUPRVJEROSHSK-RHSMWYFYSA-N 1 1 385.489 3.567 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H](O)C[C@H]3c3cccc(F)c3)o2)c1 ZINC000281628733 863292656 /nfs/dbraw/zinc/29/26/56/863292656.db2.gz HZSVJBRRSHVDLI-OALUTQOASA-N 1 1 397.406 3.739 20 5 GHBDMO Cc1c(CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480055474 863947532 /nfs/dbraw/zinc/94/75/32/863947532.db2.gz CSMXDKPFRPYSOR-IBGZPJMESA-N 1 1 396.491 3.567 20 5 GHBDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000523007594 864435397 /nfs/dbraw/zinc/43/53/97/864435397.db2.gz RQTZTNIYUDHYDB-KDOFPFPSSA-N 1 1 378.856 3.551 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000173402398 864714931 /nfs/dbraw/zinc/71/49/31/864714931.db2.gz UFORKRMZEQHNDX-CQSZACIVSA-N 1 1 385.445 3.574 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000173402398 864714936 /nfs/dbraw/zinc/71/49/36/864714936.db2.gz UFORKRMZEQHNDX-CQSZACIVSA-N 1 1 385.445 3.574 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000480499763 864741197 /nfs/dbraw/zinc/74/11/97/864741197.db2.gz QJGUGCSPXLEBPN-QZTJIDSGSA-N 1 1 394.475 3.564 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)c3cccc(C)c3[N+](=O)[O-])CC[N@H+]2C)cc1 ZINC000735902586 865043403 /nfs/dbraw/zinc/04/34/03/865043403.db2.gz FEFRBNGEJXXNRF-OXJNMPFZSA-N 1 1 384.432 3.762 20 5 GHBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000736593303 865244169 /nfs/dbraw/zinc/24/41/69/865244169.db2.gz FBUSNMYTFWWDBA-WMLDXEAASA-N 1 1 381.411 3.828 20 5 GHBDMO O=C(C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000736629380 865250055 /nfs/dbraw/zinc/25/00/55/865250055.db2.gz POZCNUKUDRLHJF-CQSZACIVSA-N 1 1 391.830 3.890 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000736629380 865250063 /nfs/dbraw/zinc/25/00/63/865250063.db2.gz POZCNUKUDRLHJF-CQSZACIVSA-N 1 1 391.830 3.890 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186434357 865473007 /nfs/dbraw/zinc/47/30/07/865473007.db2.gz UVBQWYHIUINESA-JOCHJYFZSA-N 1 1 390.443 3.627 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000738055574 865488649 /nfs/dbraw/zinc/48/86/49/865488649.db2.gz KQKOJZJCHRGLQB-SJLPKXTDSA-N 1 1 377.448 3.997 20 5 GHBDMO C[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185244093 865826569 /nfs/dbraw/zinc/82/65/69/865826569.db2.gz KNEWWFCHVFHPHI-ULQDDVLXSA-N 1 1 391.487 3.950 20 5 GHBDMO CCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555315203 865891430 /nfs/dbraw/zinc/89/14/30/865891430.db2.gz WLFXCCQRUYOHEP-DYESRHJHSA-N 1 1 381.476 3.821 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000534018930 865985118 /nfs/dbraw/zinc/98/51/18/865985118.db2.gz MISHWORJUGJKEJ-RDJZCZTQSA-N 1 1 393.365 3.789 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000740772173 866001509 /nfs/dbraw/zinc/00/15/09/866001509.db2.gz SBSKLZIAZCRUBW-INIZCTEOSA-N 1 1 384.505 3.888 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475554958 866264754 /nfs/dbraw/zinc/26/47/54/866264754.db2.gz TXHFMPDMUSGYBS-QGZVFWFLSA-N 1 1 388.395 3.623 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475554958 866264762 /nfs/dbraw/zinc/26/47/62/866264762.db2.gz TXHFMPDMUSGYBS-QGZVFWFLSA-N 1 1 388.395 3.623 20 5 GHBDMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475565006 866320271 /nfs/dbraw/zinc/32/02/71/866320271.db2.gz VLBINMAYGBNXJZ-UHFFFAOYSA-N 1 1 392.839 3.822 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1)C1CC1 ZINC001127538990 881985845 /nfs/dbraw/zinc/98/58/45/881985845.db2.gz XIMRIUATSOYVDD-UHFFFAOYSA-N 1 1 385.439 3.942 20 5 GHBDMO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440489683 866961159 /nfs/dbraw/zinc/96/11/59/866961159.db2.gz DIEFDZMZFALXDW-CQSZACIVSA-N 1 1 385.449 3.701 20 5 GHBDMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440489683 866961168 /nfs/dbraw/zinc/96/11/68/866961168.db2.gz DIEFDZMZFALXDW-CQSZACIVSA-N 1 1 385.449 3.701 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000542485667 882035974 /nfs/dbraw/zinc/03/59/74/882035974.db2.gz SAFIOFYEBKIEBC-SJLPKXTDSA-N 1 1 395.793 3.588 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479060314 867075571 /nfs/dbraw/zinc/07/55/71/867075571.db2.gz MGYMYHUUDKQUTI-LJQANCHMSA-N 1 1 378.432 3.956 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1)CC1CC1 ZINC000476568984 882058911 /nfs/dbraw/zinc/05/89/11/882058911.db2.gz MTSFTHJLAVRXAG-UHFFFAOYSA-N 1 1 389.496 3.578 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Cc1ccccc1 ZINC000444830744 867308116 /nfs/dbraw/zinc/30/81/16/867308116.db2.gz YCJPPTCRJWKPCD-UHFFFAOYSA-N 1 1 399.494 3.933 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000444923435 867469723 /nfs/dbraw/zinc/46/97/23/867469723.db2.gz QMRLRTYZQMFCIH-UHFFFAOYSA-N 1 1 386.452 3.636 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000444918646 867498203 /nfs/dbraw/zinc/49/82/03/867498203.db2.gz HRNDEZQWZDFOTN-MAUKXSAKSA-N 1 1 398.463 3.636 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000542628323 867509407 /nfs/dbraw/zinc/50/94/07/867509407.db2.gz PWFJHVUDTJXWMV-FQEVSTJZSA-N 1 1 397.475 3.565 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000534860843 867659676 /nfs/dbraw/zinc/65/96/76/867659676.db2.gz TXUVDFYUXGEHIH-SJORKVTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000534860843 867659690 /nfs/dbraw/zinc/65/96/90/867659690.db2.gz TXUVDFYUXGEHIH-SJORKVTESA-N 1 1 377.803 3.563 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000535007912 867923943 /nfs/dbraw/zinc/92/39/43/867923943.db2.gz WPGDNDUXIXWVNO-GOSISDBHSA-N 1 1 396.491 3.667 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000743374439 868170075 /nfs/dbraw/zinc/17/00/75/868170075.db2.gz CNZHSMOEEBUGAF-JOCHJYFZSA-N 1 1 391.475 3.622 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl ZINC000524007147 868419826 /nfs/dbraw/zinc/41/98/26/868419826.db2.gz BKTNHHLNTITLHS-QGZVFWFLSA-N 1 1 396.274 3.863 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000535253970 868429604 /nfs/dbraw/zinc/42/96/04/868429604.db2.gz YGZFEMQEKJZVSC-CQSZACIVSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000535253970 868429610 /nfs/dbraw/zinc/42/96/10/868429610.db2.gz YGZFEMQEKJZVSC-CQSZACIVSA-N 1 1 397.258 3.700 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)c1 ZINC000445572408 868653979 /nfs/dbraw/zinc/65/39/79/868653979.db2.gz DPEDPSYNNTZSLL-IBGZPJMESA-N 1 1 394.431 3.914 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)c1 ZINC000445572408 868653994 /nfs/dbraw/zinc/65/39/94/868653994.db2.gz DPEDPSYNNTZSLL-IBGZPJMESA-N 1 1 394.431 3.914 20 5 GHBDMO CCC[N@@H+](CC)Cc1ccc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc1 ZINC000445614518 868747189 /nfs/dbraw/zinc/74/71/89/868747189.db2.gz ZXSAIWWFRFVYDV-UHFFFAOYSA-N 1 1 384.440 3.586 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000479973705 868828717 /nfs/dbraw/zinc/82/87/17/868828717.db2.gz ZYJDLEPSHFZNDN-GOSISDBHSA-N 1 1 397.475 3.948 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000462435713 869454307 /nfs/dbraw/zinc/45/43/07/869454307.db2.gz JREMNALHDWHZTE-LJQANCHMSA-N 1 1 395.503 3.728 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000446312599 869684798 /nfs/dbraw/zinc/68/47/98/869684798.db2.gz VQNHOQMCILLTFN-OAHLLOKOSA-N 1 1 383.448 3.876 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000524864785 869689170 /nfs/dbraw/zinc/68/91/70/869689170.db2.gz GBUFCJPFPSRQQN-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO CCOc1c(OC)cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000595015499 869698022 /nfs/dbraw/zinc/69/80/22/869698022.db2.gz ONHWLCSPCMNTIJ-ZDUSSCGKSA-N 1 1 390.436 3.870 20 5 GHBDMO Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(C)c1OC(F)F ZINC000539835914 869877447 /nfs/dbraw/zinc/87/74/47/869877447.db2.gz NOZYIOGPPBRYJE-HNNXBMFYSA-N 1 1 392.406 3.894 20 5 GHBDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000539849855 869897313 /nfs/dbraw/zinc/89/73/13/869897313.db2.gz OEMFUZVWKXNPJF-QGZVFWFLSA-N 1 1 380.391 3.969 20 5 GHBDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000539849855 869897319 /nfs/dbraw/zinc/89/73/19/869897319.db2.gz OEMFUZVWKXNPJF-QGZVFWFLSA-N 1 1 380.391 3.969 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@@H]2CCO)cc1 ZINC000428448675 870015596 /nfs/dbraw/zinc/01/55/96/870015596.db2.gz RCHHHKBFTAIKAF-LJQANCHMSA-N 1 1 392.459 3.794 20 5 GHBDMO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195694 870149690 /nfs/dbraw/zinc/14/96/90/870149690.db2.gz YYINTSOXQQJTKT-QFBILLFUSA-N 1 1 399.491 3.755 20 5 GHBDMO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195694 870149692 /nfs/dbraw/zinc/14/96/92/870149692.db2.gz YYINTSOXQQJTKT-QFBILLFUSA-N 1 1 399.491 3.755 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC000538733762 870478737 /nfs/dbraw/zinc/47/87/37/870478737.db2.gz WFHVODAVBXAPGC-UHFFFAOYSA-N 1 1 396.422 3.963 20 5 GHBDMO O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035857 871113467 /nfs/dbraw/zinc/11/34/67/871113467.db2.gz DMQYVILNOQSTMN-NYVOZVTQSA-N 1 1 394.471 3.602 20 5 GHBDMO O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035857 871113474 /nfs/dbraw/zinc/11/34/74/871113474.db2.gz DMQYVILNOQSTMN-NYVOZVTQSA-N 1 1 394.471 3.602 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1c1ccccc1 ZINC001169038386 871117426 /nfs/dbraw/zinc/11/74/26/871117426.db2.gz YJVQAKITZFHCRB-UHOSZYNNSA-N 1 1 389.496 3.726 20 5 GHBDMO COc1ccc([C@H](C[N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(O)CCCCC2)cc1 ZINC001169040045 871118925 /nfs/dbraw/zinc/11/89/25/871118925.db2.gz XFINIGXVVWVYQZ-QFUCXCTJSA-N 1 1 390.524 3.851 20 5 GHBDMO C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021986 871122584 /nfs/dbraw/zinc/12/25/84/871122584.db2.gz MBBJRYCPHMFYMG-AZNNDXHDSA-N 1 1 377.554 3.726 20 5 GHBDMO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021986 871122617 /nfs/dbraw/zinc/12/26/17/871122617.db2.gz MBBJRYCPHMFYMG-AZNNDXHDSA-N 1 1 377.554 3.726 20 5 GHBDMO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021986 871122628 /nfs/dbraw/zinc/12/26/28/871122628.db2.gz MBBJRYCPHMFYMG-AZNNDXHDSA-N 1 1 377.554 3.726 20 5 GHBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC001169024470 871124015 /nfs/dbraw/zinc/12/40/15/871124015.db2.gz HFVCUHVYCWDZGT-DENIHFKCSA-N 1 1 379.504 3.839 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000181640548 871319403 /nfs/dbraw/zinc/31/94/03/871319403.db2.gz ILEMNOXWGBKOFI-IBGZPJMESA-N 1 1 393.390 3.807 20 5 GHBDMO CCC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)cc1F ZINC000181666894 871362418 /nfs/dbraw/zinc/36/24/18/871362418.db2.gz MGXHAPKWPITYKQ-INIZCTEOSA-N 1 1 393.390 3.951 20 5 GHBDMO COc1cc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000525786150 871437399 /nfs/dbraw/zinc/43/73/99/871437399.db2.gz QYPRHHIAONUOAP-HNNXBMFYSA-N 1 1 396.390 3.760 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000525786150 871437417 /nfs/dbraw/zinc/43/74/17/871437417.db2.gz QYPRHHIAONUOAP-HNNXBMFYSA-N 1 1 396.390 3.760 20 5 GHBDMO COC(=O)C(C)(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000618302221 871496097 /nfs/dbraw/zinc/49/60/97/871496097.db2.gz DMPVHMXPRZUXAN-GOSISDBHSA-N 1 1 382.420 3.501 20 5 GHBDMO C[N@H+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC12CCCCC2 ZINC001194477736 871738711 /nfs/dbraw/zinc/73/87/11/871738711.db2.gz PFTZOQNVKMJSNN-UHFFFAOYSA-N 1 1 382.302 3.808 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000540629959 871770934 /nfs/dbraw/zinc/77/09/34/871770934.db2.gz VUSPLJYPYVTETB-UHFFFAOYSA-N 1 1 391.512 3.643 20 5 GHBDMO CC1(C)C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[N@H+]1Cc1ccccc1 ZINC000618618890 871773684 /nfs/dbraw/zinc/77/36/84/871773684.db2.gz CKQHLEDXQRCNAW-MRXNPFEDSA-N 1 1 379.464 3.614 20 5 GHBDMO CC1(C)C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CN1Cc1ccccc1 ZINC000618618890 871773699 /nfs/dbraw/zinc/77/36/99/871773699.db2.gz CKQHLEDXQRCNAW-MRXNPFEDSA-N 1 1 379.464 3.614 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001194714093 871913076 /nfs/dbraw/zinc/91/30/76/871913076.db2.gz HCUCZXFSLOAVET-IBGZPJMESA-N 1 1 379.460 3.536 20 5 GHBDMO CCO[C@@H](CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000552045605 871928518 /nfs/dbraw/zinc/92/85/18/871928518.db2.gz KSAXJMLZODWYGB-PMACEKPBSA-N 1 1 386.496 3.993 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cc[nH+]c1C ZINC000540786049 872172897 /nfs/dbraw/zinc/17/28/97/872172897.db2.gz HPYDAGQKQZXKRW-UHFFFAOYSA-N 1 1 376.482 3.812 20 5 GHBDMO CC(C)c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093735068 872371548 /nfs/dbraw/zinc/37/15/48/872371548.db2.gz LUSJROIXARZOOM-UHFFFAOYSA-N 1 1 375.513 3.795 20 5 GHBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C1 ZINC000552344124 872502666 /nfs/dbraw/zinc/50/26/66/872502666.db2.gz ZBJLIGYCPVRZGJ-RBUKOAKNSA-N 1 1 387.505 3.618 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000094034882 872513573 /nfs/dbraw/zinc/51/35/73/872513573.db2.gz GRPJAIJKMMOWOH-UHFFFAOYSA-N 1 1 397.475 3.647 20 5 GHBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000767473447 872537194 /nfs/dbraw/zinc/53/71/94/872537194.db2.gz UHLOHHHMOVKXIV-UHFFFAOYSA-N 1 1 386.452 3.583 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000619489814 872686649 /nfs/dbraw/zinc/68/66/49/872686649.db2.gz PCBIAPRKLJTUIM-IPMKNSEASA-N 1 1 383.496 3.832 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001127247392 872788591 /nfs/dbraw/zinc/78/85/91/872788591.db2.gz WXAAHEBOJYYDNG-FTIBCMOBSA-N 1 1 393.487 3.820 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000460355208 872952762 /nfs/dbraw/zinc/95/27/62/872952762.db2.gz WLXZGWHGNFEUIF-QZTJIDSGSA-N 1 1 383.492 3.720 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)c1ccnc(CO)c1 ZINC001196239989 872990052 /nfs/dbraw/zinc/99/00/52/872990052.db2.gz BPQYOKAUSLCONI-UHFFFAOYSA-N 1 1 386.455 3.902 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000619784372 872998127 /nfs/dbraw/zinc/99/81/27/872998127.db2.gz DVYIMTYQRNWNDO-FQEVSTJZSA-N 1 1 387.411 3.503 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn2cc(Br)ccc2n1 ZINC000619785236 872999069 /nfs/dbraw/zinc/99/90/69/872999069.db2.gz OACXZWJRTAXMBR-UHFFFAOYSA-N 1 1 389.253 3.680 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000768339672 873243824 /nfs/dbraw/zinc/24/38/24/873243824.db2.gz XUIIEKSMRAVVCD-UHFFFAOYSA-N 1 1 387.392 3.685 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000768339672 873243827 /nfs/dbraw/zinc/24/38/27/873243827.db2.gz XUIIEKSMRAVVCD-UHFFFAOYSA-N 1 1 387.392 3.685 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000026205807 873273045 /nfs/dbraw/zinc/27/30/45/873273045.db2.gz PPDFMKTXBUDDAO-ZDUSSCGKSA-N 1 1 393.390 3.964 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000026205807 873273053 /nfs/dbraw/zinc/27/30/53/873273053.db2.gz PPDFMKTXBUDDAO-ZDUSSCGKSA-N 1 1 393.390 3.964 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000448432483 873378878 /nfs/dbraw/zinc/37/88/78/873378878.db2.gz XAQJMTDICMZSMK-ZDUSSCGKSA-N 1 1 387.402 3.711 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000541386773 873491416 /nfs/dbraw/zinc/49/14/16/873491416.db2.gz HSOSHBWDPCKTII-NVXWUHKLSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000541386773 873491423 /nfs/dbraw/zinc/49/14/23/873491423.db2.gz HSOSHBWDPCKTII-NVXWUHKLSA-N 1 1 383.448 3.728 20 5 GHBDMO C[C@@]1(Cc2ccc(Cl)c(F)c2)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001197005016 873523931 /nfs/dbraw/zinc/52/39/31/873523931.db2.gz WXIYNXJWQQODMI-IBGZPJMESA-N 1 1 393.846 3.646 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CCn2cnnc2C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541565131 873840424 /nfs/dbraw/zinc/84/04/24/873840424.db2.gz QECRJZZYBPTWAJ-IBGZPJMESA-N 1 1 381.436 3.598 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000541610576 873946744 /nfs/dbraw/zinc/94/67/44/873946744.db2.gz ORKXZIFRFQWWDU-ZMSDIMECSA-N 1 1 385.439 3.789 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448778721 873956043 /nfs/dbraw/zinc/95/60/43/873956043.db2.gz WSQKCEVDEDPCCO-GFCCVEGCSA-N 1 1 387.402 3.854 20 5 GHBDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000769342368 873986012 /nfs/dbraw/zinc/98/60/12/873986012.db2.gz LOXWBRYRSSNBPR-MRXNPFEDSA-N 1 1 383.448 3.832 20 5 GHBDMO Cc1nn(C[NH+]2CCC(c3cccc(F)c3F)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000769781383 874285878 /nfs/dbraw/zinc/28/58/78/874285878.db2.gz GNIOFLKHIOFOFI-UHFFFAOYSA-N 1 1 387.390 3.763 20 5 GHBDMO C[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000464831449 874601869 /nfs/dbraw/zinc/60/18/69/874601869.db2.gz AEGQHJDRMZWEQG-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000464831449 874601876 /nfs/dbraw/zinc/60/18/76/874601876.db2.gz AEGQHJDRMZWEQG-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000464831449 874601884 /nfs/dbraw/zinc/60/18/84/874601884.db2.gz AEGQHJDRMZWEQG-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000449367914 874766840 /nfs/dbraw/zinc/76/68/40/874766840.db2.gz ZWBCSUMYVOXURN-HNAYVOBHSA-N 1 1 380.473 3.897 20 5 GHBDMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000542070156 874865985 /nfs/dbraw/zinc/86/59/85/874865985.db2.gz XPCRAWKXYYHFRJ-OAHLLOKOSA-N 1 1 387.411 3.593 20 5 GHBDMO Nc1cc2nc3ccccc3nc2cc1NC(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199369592 874949278 /nfs/dbraw/zinc/94/92/78/874949278.db2.gz NPXSTGOVZBKHOI-UHFFFAOYSA-N 1 1 384.443 3.613 20 5 GHBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000465066363 875020738 /nfs/dbraw/zinc/02/07/38/875020738.db2.gz MMKYNJNAWUOMPW-HNNXBMFYSA-N 1 1 384.436 3.959 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(F)cc2I)cc1 ZINC001199583171 875084030 /nfs/dbraw/zinc/08/40/30/875084030.db2.gz UYMLKNFAFKOCFM-UHFFFAOYSA-N 1 1 386.164 3.628 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C2)c1 ZINC000449752907 875349418 /nfs/dbraw/zinc/34/94/18/875349418.db2.gz DTQCSOXPZCZRLD-JCNLHEQBSA-N 1 1 386.448 3.999 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](CO)C(C)C)cc1 ZINC000491367190 875620276 /nfs/dbraw/zinc/62/02/76/875620276.db2.gz LMSWCBMAANEBCR-HXUWFJFHSA-N 1 1 388.464 3.631 20 5 GHBDMO CCOc1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000491608098 875863692 /nfs/dbraw/zinc/86/36/92/875863692.db2.gz UMWVPIRNPHZRBW-OAHLLOKOSA-N 1 1 395.253 3.579 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(Br)o1 ZINC000030217586 875937438 /nfs/dbraw/zinc/93/74/38/875937438.db2.gz UHOHKDBRXSMKHJ-UHFFFAOYSA-N 1 1 396.241 3.719 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000443869011 876091731 /nfs/dbraw/zinc/09/17/31/876091731.db2.gz OEUQARBRMFLRIX-FQEVSTJZSA-N 1 1 397.475 3.820 20 5 GHBDMO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000450243314 876121182 /nfs/dbraw/zinc/12/11/82/876121182.db2.gz LHWMYYNRLGFYRT-HXUWFJFHSA-N 1 1 378.432 3.628 20 5 GHBDMO C[C@H](c1ccccc1Cl)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276967 876148125 /nfs/dbraw/zinc/14/81/25/876148125.db2.gz MONRDAQCHWWWGG-FOIQADDNSA-N 1 1 389.883 3.660 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000804534119 882999303 /nfs/dbraw/zinc/99/93/03/882999303.db2.gz MVLXMBIFXNOGRG-JOCHJYFZSA-N 1 1 397.450 3.781 20 5 GHBDMO COc1ccc(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)cc1[N+](=O)[O-] ZINC001202425856 876191367 /nfs/dbraw/zinc/19/13/67/876191367.db2.gz ZXGAEGLWHPSQQR-UHFFFAOYSA-N 1 1 398.463 3.780 20 5 GHBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000537659254 883007220 /nfs/dbraw/zinc/00/72/20/883007220.db2.gz RSVXLVMKHZUDRR-HNNXBMFYSA-N 1 1 387.505 3.868 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000121778255 876227885 /nfs/dbraw/zinc/22/78/85/876227885.db2.gz CQBIXRHNLGCGQK-OAHLLOKOSA-N 1 1 393.447 3.692 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)CC(F)(F)F ZINC000176411439 876318810 /nfs/dbraw/zinc/31/88/10/876318810.db2.gz IKPGNPPOOZRVEW-LBPRGKRZSA-N 1 1 379.810 3.954 20 5 GHBDMO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001170062056 876885864 /nfs/dbraw/zinc/88/58/64/876885864.db2.gz JLKDIVOZZBSJST-IBGZPJMESA-N 1 1 375.469 3.661 20 5 GHBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000787247048 877263254 /nfs/dbraw/zinc/26/32/54/877263254.db2.gz KYOMXCWWNWVTCM-UHFFFAOYSA-N 1 1 395.415 3.926 20 5 GHBDMO CC(C)(C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610061583 877345836 /nfs/dbraw/zinc/34/58/36/877345836.db2.gz DTPSLWSCERHALF-UHFFFAOYSA-N 1 1 387.524 3.987 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000064725763 877346450 /nfs/dbraw/zinc/34/64/50/877346450.db2.gz GFLSAVCWAINZFZ-RVKKMQEKSA-N 1 1 386.496 3.647 20 5 GHBDMO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610064227 877349161 /nfs/dbraw/zinc/34/91/61/877349161.db2.gz ZSGYTSFJPLSFRL-LJQANCHMSA-N 1 1 395.503 3.553 20 5 GHBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492695986 877363293 /nfs/dbraw/zinc/36/32/93/877363293.db2.gz LJNWTFHVWHKDBO-RDJZCZTQSA-N 1 1 377.485 3.510 20 5 GHBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000026466183 877389225 /nfs/dbraw/zinc/38/92/25/877389225.db2.gz ZTOAJNUQBARTBU-VXGBXAGGSA-N 1 1 384.274 3.806 20 5 GHBDMO CCOc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492819542 877588506 /nfs/dbraw/zinc/58/85/06/877588506.db2.gz SIOJSYGVEGWIPI-PXNSSMCTSA-N 1 1 383.492 3.994 20 5 GHBDMO CCOc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492819542 877588520 /nfs/dbraw/zinc/58/85/20/877588520.db2.gz SIOJSYGVEGWIPI-PXNSSMCTSA-N 1 1 383.492 3.994 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CO)[C@H]2CC)cc1OC ZINC000451250267 877661634 /nfs/dbraw/zinc/66/16/34/877661634.db2.gz DDWRMGWYBONIJO-YQQAZPJKSA-N 1 1 380.485 3.621 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492937632 877814772 /nfs/dbraw/zinc/81/47/72/877814772.db2.gz QQCNUMFTTQMKOA-GOSISDBHSA-N 1 1 396.491 3.534 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000451366577 877864725 /nfs/dbraw/zinc/86/47/25/877864725.db2.gz YTJBMXMMYWZTKM-UHFFFAOYSA-N 1 1 389.839 3.911 20 5 GHBDMO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001170086380 878170573 /nfs/dbraw/zinc/17/05/73/878170573.db2.gz SBXIBKCTXIMORQ-YLJYHZDGSA-N 1 1 389.496 3.860 20 5 GHBDMO CO[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C[C@@H]1C ZINC000451578368 878188886 /nfs/dbraw/zinc/18/88/86/878188886.db2.gz XCNPHMWOZHGXPX-DQLDELGASA-N 1 1 397.475 3.940 20 5 GHBDMO CO[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C[C@@H]1C ZINC000451578368 878188891 /nfs/dbraw/zinc/18/88/91/878188891.db2.gz XCNPHMWOZHGXPX-DQLDELGASA-N 1 1 397.475 3.940 20 5 GHBDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580759 878195661 /nfs/dbraw/zinc/19/56/61/878195661.db2.gz ZYKZESLUSCXTIX-JOCHJYFZSA-N 1 1 394.475 3.871 20 5 GHBDMO C[C@@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788704251 878267292 /nfs/dbraw/zinc/26/72/92/878267292.db2.gz NVDWSZFTLAUJFH-OWCLPIDISA-N 1 1 384.480 3.959 20 5 GHBDMO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776595916 878343610 /nfs/dbraw/zinc/34/36/10/878343610.db2.gz COAQJMYCSCWEKN-KZULUSFZSA-N 1 1 391.265 3.838 20 5 GHBDMO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776595916 878343621 /nfs/dbraw/zinc/34/36/21/878343621.db2.gz COAQJMYCSCWEKN-KZULUSFZSA-N 1 1 391.265 3.838 20 5 GHBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@@H](O)c4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC000776596503 878346848 /nfs/dbraw/zinc/34/68/48/878346848.db2.gz FWQJPVHRNFOETF-OXJNMPFZSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@H]3CCC[N@H+](C[C@@H](O)c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000776596503 878346863 /nfs/dbraw/zinc/34/68/63/878346863.db2.gz FWQJPVHRNFOETF-OXJNMPFZSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@@H](O)c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000776596503 878346879 /nfs/dbraw/zinc/34/68/79/878346879.db2.gz FWQJPVHRNFOETF-OXJNMPFZSA-N 1 1 380.448 3.693 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1)CC(C)C ZINC000538034650 878706685 /nfs/dbraw/zinc/70/66/85/878706685.db2.gz LPDRVJDVZBBPNS-UHFFFAOYSA-N 1 1 390.528 3.857 20 5 GHBDMO Cc1c(CNC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000616313011 878756860 /nfs/dbraw/zinc/75/68/60/878756860.db2.gz CFEPVKMLSALIED-KRWDZBQOSA-N 1 1 396.491 3.709 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 ZINC000111107284 878825193 /nfs/dbraw/zinc/82/51/93/878825193.db2.gz UFNMOQQPLUDLCK-UHFFFAOYSA-N 1 1 398.488 3.925 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@](O)(C(F)(F)F)CC3)co2)cc1 ZINC000285735399 912413046 /nfs/dbraw/zinc/41/30/46/912413046.db2.gz XTMLIALWQRADDQ-INIZCTEOSA-N 1 1 385.342 3.529 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@](O)(C(F)(F)F)CC3)co2)cc1 ZINC000285735399 912413054 /nfs/dbraw/zinc/41/30/54/912413054.db2.gz XTMLIALWQRADDQ-INIZCTEOSA-N 1 1 385.342 3.529 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000112115249 879695614 /nfs/dbraw/zinc/69/56/14/879695614.db2.gz VIJGOIGVPYRIHJ-INIZCTEOSA-N 1 1 387.867 3.543 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000031565079 879702585 /nfs/dbraw/zinc/70/25/85/879702585.db2.gz QPKSTNNYGFVAMD-INIZCTEOSA-N 1 1 385.489 3.711 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000494039136 879874436 /nfs/dbraw/zinc/87/44/36/879874436.db2.gz RNSKGLGIUYWJLA-PBHICJAKSA-N 1 1 385.489 3.710 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCNc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000285938615 912509618 /nfs/dbraw/zinc/50/96/18/912509618.db2.gz DFRIYWVEUQXPTK-IBGZPJMESA-N 1 1 383.427 3.649 20 5 GHBDMO COc1cc(F)cc(C[C@H](C)[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000453414344 880879937 /nfs/dbraw/zinc/87/99/37/880879937.db2.gz YOQJDOLWCUCCRD-XOBRGWDASA-N 1 1 398.438 3.786 20 5 GHBDMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000792187490 880975918 /nfs/dbraw/zinc/97/59/18/880975918.db2.gz HTOVQPQYOBFTBD-JOCHJYFZSA-N 1 1 394.475 3.855 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000520377648 881134719 /nfs/dbraw/zinc/13/47/19/881134719.db2.gz ITITYHUWMZIWRT-INIZCTEOSA-N 1 1 376.501 3.637 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC000556967717 881238200 /nfs/dbraw/zinc/23/82/00/881238200.db2.gz PAFHDTCCBJIGFR-OAQYLSRUSA-N 1 1 392.459 3.794 20 5 GHBDMO Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1Br ZINC000804661060 883178498 /nfs/dbraw/zinc/17/84/98/883178498.db2.gz GQJYGUFGILZARQ-GFCCVEGCSA-N 1 1 379.258 3.783 20 5 GHBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000609522528 883296202 /nfs/dbraw/zinc/29/62/02/883296202.db2.gz VYDPOJHFUVAGCS-UHFFFAOYSA-N 1 1 385.489 3.914 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)[C@H]3CCCc4ccccc43)o2)cc1 ZINC000173388405 883313484 /nfs/dbraw/zinc/31/34/84/883313484.db2.gz STSQGLJQRZAJSS-IBGZPJMESA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCO)[C@H]3CCCc4ccccc43)o2)cc1 ZINC000173388405 883313500 /nfs/dbraw/zinc/31/35/00/883313500.db2.gz STSQGLJQRZAJSS-IBGZPJMESA-N 1 1 394.431 3.517 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609793740 883687997 /nfs/dbraw/zinc/68/79/97/883687997.db2.gz MYUKAMBJLYDEPF-CVEARBPZSA-N 1 1 393.915 3.904 20 5 GHBDMO O=c1[nH]c(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000286432191 912744349 /nfs/dbraw/zinc/74/43/49/912744349.db2.gz WBRDEFRKGVCWFU-ZDUSSCGKSA-N 1 1 399.476 3.629 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)c21 ZINC000542505972 883783524 /nfs/dbraw/zinc/78/35/24/883783524.db2.gz FTVAFCBGEYCZGQ-UHFFFAOYSA-N 1 1 383.839 3.514 20 5 GHBDMO Cc1c(CC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC001130458496 884263352 /nfs/dbraw/zinc/26/33/52/884263352.db2.gz OIQIVJOPLJLXRE-YTQUADARSA-N 1 1 395.503 3.956 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)NCc1ccco1 ZINC000237879777 884703748 /nfs/dbraw/zinc/70/37/48/884703748.db2.gz TWBNWANWUYVGOV-UHFFFAOYSA-N 1 1 399.378 3.525 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428554693 884975112 /nfs/dbraw/zinc/97/51/12/884975112.db2.gz SUMUBOQVITUZQE-FOYGFLCZSA-N 1 1 395.503 3.879 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428554693 884975131 /nfs/dbraw/zinc/97/51/31/884975131.db2.gz SUMUBOQVITUZQE-FOYGFLCZSA-N 1 1 395.503 3.879 20 5 GHBDMO CC(C)[C@H](CO)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000173413481 885170483 /nfs/dbraw/zinc/17/04/83/885170483.db2.gz MYXITPHKLCGVTJ-IBGZPJMESA-N 1 1 396.447 3.664 20 5 GHBDMO CCC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090522330 885437888 /nfs/dbraw/zinc/43/78/88/885437888.db2.gz PMRCRNRCKCJVBE-HBMCJLEFSA-N 1 1 375.513 3.794 20 5 GHBDMO CC(C)[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001131028607 885646161 /nfs/dbraw/zinc/64/61/61/885646161.db2.gz ZURKILNTYSJDOJ-NRFANRHFSA-N 1 1 381.476 3.506 20 5 GHBDMO COc1c(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476457949 885892283 /nfs/dbraw/zinc/89/22/83/885892283.db2.gz IXPBVKXCZUGYHD-FUHWJXTLSA-N 1 1 397.475 3.634 20 5 GHBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747443602 885934845 /nfs/dbraw/zinc/93/48/45/885934845.db2.gz PUZBTORXDBROLK-CGQZWFTASA-N 1 1 385.489 3.698 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCc1ccc(F)cc1 ZINC000055022996 885982622 /nfs/dbraw/zinc/98/26/22/885982622.db2.gz QYZPIWQAOGBOIK-LBPRGKRZSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747468785 886156095 /nfs/dbraw/zinc/15/60/95/886156095.db2.gz WOUFCAVBEFCWBJ-LPHOPBHVSA-N 1 1 377.448 3.764 20 5 GHBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532579524 886164211 /nfs/dbraw/zinc/16/42/11/886164211.db2.gz OZQNWAFSYXLEAA-PBHICJAKSA-N 1 1 383.423 3.501 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000915308723 886299825 /nfs/dbraw/zinc/29/98/25/886299825.db2.gz OUZYAQOTCLUGNE-ZDUSSCGKSA-N 1 1 388.855 3.817 20 5 GHBDMO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1(CC)CC ZINC000556871749 886426616 /nfs/dbraw/zinc/42/66/16/886426616.db2.gz MDNUKRZJRLQVJX-IPMKNSEASA-N 1 1 386.496 3.991 20 5 GHBDMO C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272373153 887340663 /nfs/dbraw/zinc/34/06/63/887340663.db2.gz CBPTXQQHBIKFDM-ZFWWWQNUSA-N 1 1 389.402 3.513 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272504920 887596824 /nfs/dbraw/zinc/59/68/24/887596824.db2.gz HYNGRZIZTBBQRQ-XLIONFOSSA-N 1 1 385.512 3.662 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272528931 887631223 /nfs/dbraw/zinc/63/12/23/887631223.db2.gz MOIAGADHYIRUMH-PKOBYXMFSA-N 1 1 384.480 3.889 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000796028783 913181273 /nfs/dbraw/zinc/18/12/73/913181273.db2.gz GDUATZVPQKKMGK-OKILXGFUSA-N 1 1 381.860 3.547 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000796028783 913181278 /nfs/dbraw/zinc/18/12/78/913181278.db2.gz GDUATZVPQKKMGK-OKILXGFUSA-N 1 1 381.860 3.547 20 5 GHBDMO COc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000194413902 888305525 /nfs/dbraw/zinc/30/55/25/888305525.db2.gz RRKTWAYNJOXQBW-AEFFLSMTSA-N 1 1 397.475 3.729 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)[C@H]1c1cccs1 ZINC000865558681 888443516 /nfs/dbraw/zinc/44/35/16/888443516.db2.gz NSEXXDCVITWLSS-XIKOKIGWSA-N 1 1 379.457 3.783 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000488058756 888546704 /nfs/dbraw/zinc/54/67/04/888546704.db2.gz ASOVNWFPWJQVJI-UHFFFAOYSA-N 1 1 375.400 3.512 20 5 GHBDMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OC)c1OC ZINC000865758267 888556308 /nfs/dbraw/zinc/55/63/08/888556308.db2.gz BMYRWJBNTYBRFD-KRWDZBQOSA-N 1 1 388.420 3.719 20 5 GHBDMO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000794892904 888702444 /nfs/dbraw/zinc/70/24/44/888702444.db2.gz SKSLDOOBAWQLOK-FQEVSTJZSA-N 1 1 381.411 3.614 20 5 GHBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000794892904 888702450 /nfs/dbraw/zinc/70/24/50/888702450.db2.gz SKSLDOOBAWQLOK-FQEVSTJZSA-N 1 1 381.411 3.614 20 5 GHBDMO COc1ccccc1[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nccn1C ZINC000866224642 888786374 /nfs/dbraw/zinc/78/63/74/888786374.db2.gz BPNQAEZVZJVRAN-JLTOFOAXSA-N 1 1 398.438 3.786 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1cccc(Br)c1 ZINC000796113957 913293855 /nfs/dbraw/zinc/29/38/55/913293855.db2.gz FCOIAXAEFAEVBS-KRWDZBQOSA-N 1 1 379.254 3.565 20 5 GHBDMO C[C@@H]1CCCN(c2ccc(C(=O)O[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000810847195 888938659 /nfs/dbraw/zinc/93/86/59/888938659.db2.gz MWTZXPMYJVGWCJ-NXHRZFHOSA-N 1 1 387.480 3.615 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000810865239 888968256 /nfs/dbraw/zinc/96/82/56/888968256.db2.gz UYHITUSZPNCCCK-RVDMUPIBSA-N 1 1 380.448 3.618 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000027334453 888999184 /nfs/dbraw/zinc/99/91/84/888999184.db2.gz NUWZERFOBAVHQJ-YOEHRIQHSA-N 1 1 389.477 3.622 20 5 GHBDMO CCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000532927553 889297716 /nfs/dbraw/zinc/29/77/16/889297716.db2.gz BKYXFTDVODVXMQ-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000532927553 889297733 /nfs/dbraw/zinc/29/77/33/889297733.db2.gz BKYXFTDVODVXMQ-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454619236 889390607 /nfs/dbraw/zinc/39/06/07/889390607.db2.gz NXPKXQYDTVEIMF-WWMYMODYSA-N 1 1 396.491 3.866 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c2cc([N+](=O)[O-])ccc12 ZINC000811782294 889956093 /nfs/dbraw/zinc/95/60/93/889956093.db2.gz NCWLMZISKMCGBJ-NRFANRHFSA-N 1 1 378.432 3.680 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCSc3ccc(Cl)cc3)CC2)cn1 ZINC000533220784 890030675 /nfs/dbraw/zinc/03/06/75/890030675.db2.gz LOTDVWZULJKPJB-UHFFFAOYSA-N 1 1 378.885 3.558 20 5 GHBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1cccs1 ZINC000533260359 890122880 /nfs/dbraw/zinc/12/28/80/890122880.db2.gz KJIMSSCKGJXZPK-UHFFFAOYSA-N 1 1 375.450 3.519 20 5 GHBDMO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000533487972 890702928 /nfs/dbraw/zinc/70/29/28/890702928.db2.gz WXQDWRPRVGZCQS-UHFFFAOYSA-N 1 1 390.443 3.773 20 5 GHBDMO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000533487972 890702941 /nfs/dbraw/zinc/70/29/41/890702941.db2.gz WXQDWRPRVGZCQS-UHFFFAOYSA-N 1 1 390.443 3.773 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812854709 891048920 /nfs/dbraw/zinc/04/89/20/891048920.db2.gz VQIIMNAVNXGQEW-IIBYNOLFSA-N 1 1 385.464 3.676 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000872036370 891129061 /nfs/dbraw/zinc/12/90/61/891129061.db2.gz UQEGNJACQDZGAV-PBHICJAKSA-N 1 1 379.526 3.611 20 5 GHBDMO CC(C)[C@H]1C[C@@H](CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCO1 ZINC000813172625 891335283 /nfs/dbraw/zinc/33/52/83/891335283.db2.gz PFRTYPDHALGESH-FFZOFVMBSA-N 1 1 390.480 3.554 20 5 GHBDMO CC(C)[C@H]1C[C@@H](CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCO1 ZINC000813172625 891335297 /nfs/dbraw/zinc/33/52/97/891335297.db2.gz PFRTYPDHALGESH-FFZOFVMBSA-N 1 1 390.480 3.554 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(-c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)cn1 ZINC000813887258 892070633 /nfs/dbraw/zinc/07/06/33/892070633.db2.gz HRSGROSWOAPNDO-UHFFFAOYSA-N 1 1 390.403 3.860 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497913322 892725460 /nfs/dbraw/zinc/72/54/60/892725460.db2.gz PLEVHNPDNXMPPF-CQSZACIVSA-N 1 1 388.493 3.713 20 5 GHBDMO Cc1cc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000533784454 892944050 /nfs/dbraw/zinc/94/40/50/892944050.db2.gz FBNQLGYMCDXXLR-KRWDZBQOSA-N 1 1 381.480 3.528 20 5 GHBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(N2CCCOC2=O)cc1 ZINC000814658304 893015959 /nfs/dbraw/zinc/01/59/59/893015959.db2.gz ZJDHOXAFXZYIRF-ZDUSSCGKSA-N 1 1 395.419 3.669 20 5 GHBDMO C[NH+]1CCN(c2ccc(Nc3c4ccccc4ncc3[N+](=O)[O-])cc2Cl)CC1 ZINC001185197714 913723336 /nfs/dbraw/zinc/72/33/36/913723336.db2.gz OUTXYGJUUHAQDR-UHFFFAOYSA-N 1 1 397.866 3.714 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCOCc1ccccc1 ZINC000154638814 893095971 /nfs/dbraw/zinc/09/59/71/893095971.db2.gz LAQAHWDFVDNGFM-AWEZNQCLSA-N 1 1 391.855 3.724 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCOCc1ccccc1 ZINC000154638814 893095990 /nfs/dbraw/zinc/09/59/90/893095990.db2.gz LAQAHWDFVDNGFM-AWEZNQCLSA-N 1 1 391.855 3.724 20 5 GHBDMO Cc1cc(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC001134821220 893329795 /nfs/dbraw/zinc/32/97/95/893329795.db2.gz PYHJCNBQZPECAI-GIVPXCGWSA-N 1 1 393.487 3.934 20 5 GHBDMO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000536826058 893899512 /nfs/dbraw/zinc/89/95/12/893899512.db2.gz HVWPEGZOOHTQAO-ZDUSSCGKSA-N 1 1 397.522 3.538 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cncc(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000459619480 893911137 /nfs/dbraw/zinc/91/11/37/893911137.db2.gz IWPJNPWALMYPBN-JTQLQIEISA-N 1 1 385.342 3.632 20 5 GHBDMO Cc1ccc(N2CCC[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)CC2)cc1 ZINC000877983644 893928634 /nfs/dbraw/zinc/92/86/34/893928634.db2.gz PLVYZIOVCATNMP-UHFFFAOYSA-N 1 1 393.447 3.666 20 5 GHBDMO Cc1ccc(N2CCC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)CC2)cc1 ZINC000877983644 893928640 /nfs/dbraw/zinc/92/86/40/893928640.db2.gz PLVYZIOVCATNMP-UHFFFAOYSA-N 1 1 393.447 3.666 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4nnc(C)[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000563612968 893973510 /nfs/dbraw/zinc/97/35/10/893973510.db2.gz QBDPRKJLBIBCRC-AWEZNQCLSA-N 1 1 397.435 3.670 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4nc(C)n[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000563612968 893973516 /nfs/dbraw/zinc/97/35/16/893973516.db2.gz QBDPRKJLBIBCRC-AWEZNQCLSA-N 1 1 397.435 3.670 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4nc(C)n[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000563612968 893973524 /nfs/dbraw/zinc/97/35/24/893973524.db2.gz QBDPRKJLBIBCRC-AWEZNQCLSA-N 1 1 397.435 3.670 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4n[nH]c(C)n4)C3)o2)c([N+](=O)[O-])c1 ZINC000563612968 893973532 /nfs/dbraw/zinc/97/35/32/893973532.db2.gz QBDPRKJLBIBCRC-AWEZNQCLSA-N 1 1 397.435 3.670 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4n[nH]c(C)n4)C3)o2)c([N+](=O)[O-])c1 ZINC000563612968 893973542 /nfs/dbraw/zinc/97/35/42/893973542.db2.gz QBDPRKJLBIBCRC-AWEZNQCLSA-N 1 1 397.435 3.670 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459653878 893988820 /nfs/dbraw/zinc/98/88/20/893988820.db2.gz DSRDMTWXNVHURR-OAHLLOKOSA-N 1 1 376.350 3.915 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459653878 893988834 /nfs/dbraw/zinc/98/88/34/893988834.db2.gz DSRDMTWXNVHURR-OAHLLOKOSA-N 1 1 376.350 3.915 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555879 893995161 /nfs/dbraw/zinc/99/51/61/893995161.db2.gz JNKHWWXAHSVBEA-BRWVUGGUSA-N 1 1 398.507 3.637 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)o1 ZINC000878114259 894029065 /nfs/dbraw/zinc/02/90/65/894029065.db2.gz HBCLQVKZWAIWNP-KRWDZBQOSA-N 1 1 382.445 3.935 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCS[C@H](c3ccccc3)C2)o1 ZINC000878114259 894029081 /nfs/dbraw/zinc/02/90/81/894029081.db2.gz HBCLQVKZWAIWNP-KRWDZBQOSA-N 1 1 382.445 3.935 20 5 GHBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878191330 894082079 /nfs/dbraw/zinc/08/20/79/894082079.db2.gz NLDNTFOPVBNFRS-CYBMUJFWSA-N 1 1 380.832 3.545 20 5 GHBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878191330 894082091 /nfs/dbraw/zinc/08/20/91/894082091.db2.gz NLDNTFOPVBNFRS-CYBMUJFWSA-N 1 1 380.832 3.545 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001185404005 913837900 /nfs/dbraw/zinc/83/79/00/913837900.db2.gz NDDHVADYNKKOQN-SJORKVTESA-N 1 1 389.496 3.781 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001185403437 913840588 /nfs/dbraw/zinc/84/05/88/913840588.db2.gz IFKAVCPBVCOXGR-CQSZACIVSA-N 1 1 377.391 3.907 20 5 GHBDMO COc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1Cl ZINC000816092690 894471734 /nfs/dbraw/zinc/47/17/34/894471734.db2.gz MJOSDSFJQSLNQR-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO COc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1Cl ZINC000816092690 894471741 /nfs/dbraw/zinc/47/17/41/894471741.db2.gz MJOSDSFJQSLNQR-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH+]2CCC3(CC3(F)F)CC2)o1 ZINC000878805901 894632352 /nfs/dbraw/zinc/63/23/52/894632352.db2.gz FDQHXQIYJRCINQ-UHFFFAOYSA-N 1 1 384.770 3.919 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000816636273 895017533 /nfs/dbraw/zinc/01/75/33/895017533.db2.gz NKAHXJDWDHHKND-HDICACEKSA-N 1 1 389.496 3.982 20 5 GHBDMO CC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1cccc(OC)c1OC ZINC000879465495 895075944 /nfs/dbraw/zinc/07/59/44/895075944.db2.gz FNVQOPBIUHKAFI-INIZCTEOSA-N 1 1 388.420 3.640 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000565444621 895630314 /nfs/dbraw/zinc/63/03/14/895630314.db2.gz LBESVWDUGQEBIP-WMZOPIPTSA-N 1 1 382.464 3.996 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](c3nccs3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000880319444 895637137 /nfs/dbraw/zinc/63/71/37/895637137.db2.gz GUMFXYDJSQSURD-LLVKDONJSA-N 1 1 399.419 3.693 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000565565204 895727462 /nfs/dbraw/zinc/72/74/62/895727462.db2.gz LWBSZHJCWLJREF-WRWLIDTKSA-N 1 1 386.452 3.640 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000565565204 895727476 /nfs/dbraw/zinc/72/74/76/895727476.db2.gz LWBSZHJCWLJREF-WRWLIDTKSA-N 1 1 386.452 3.640 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000566041873 896068355 /nfs/dbraw/zinc/06/83/55/896068355.db2.gz DIFWIONSUPZYDX-JKSUJKDBSA-N 1 1 395.488 3.558 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000566041870 896068566 /nfs/dbraw/zinc/06/85/66/896068566.db2.gz DIFWIONSUPZYDX-CVEARBPZSA-N 1 1 395.488 3.558 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000819323609 896568603 /nfs/dbraw/zinc/56/86/03/896568603.db2.gz NMSCPUDHDKTVLB-KNQAVFIVSA-N 1 1 383.492 3.520 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819323609 896568613 /nfs/dbraw/zinc/56/86/13/896568613.db2.gz NMSCPUDHDKTVLB-KNQAVFIVSA-N 1 1 383.492 3.520 20 5 GHBDMO CSC[C@@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566790014 896575746 /nfs/dbraw/zinc/57/57/46/896575746.db2.gz SQGJJRNFOFBNOE-LBPRGKRZSA-N 1 1 392.262 3.527 20 5 GHBDMO CSC[C@@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566790014 896575753 /nfs/dbraw/zinc/57/57/53/896575753.db2.gz SQGJJRNFOFBNOE-LBPRGKRZSA-N 1 1 392.262 3.527 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000819679201 896902186 /nfs/dbraw/zinc/90/21/86/896902186.db2.gz XRIUCJHIUDKCOM-RMKNXTFCSA-N 1 1 386.477 3.860 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC4(CCC4)[C@H]3C3CCOCC3)c2)cc1 ZINC000819903302 897044543 /nfs/dbraw/zinc/04/45/43/897044543.db2.gz KERTZXMFJZQBBI-HXUWFJFHSA-N 1 1 382.464 3.697 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COCc1ccccc1Cl ZINC000820632412 897424917 /nfs/dbraw/zinc/42/49/17/897424917.db2.gz LIONVUXMQQYQHI-INIZCTEOSA-N 1 1 399.274 3.911 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COCc1ccccc1Cl ZINC000820632412 897424922 /nfs/dbraw/zinc/42/49/22/897424922.db2.gz LIONVUXMQQYQHI-INIZCTEOSA-N 1 1 399.274 3.911 20 5 GHBDMO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000567915313 897486191 /nfs/dbraw/zinc/48/61/91/897486191.db2.gz NMCVTCYITUZUIP-YWZLYKJASA-N 1 1 398.482 3.824 20 5 GHBDMO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000567915310 897486421 /nfs/dbraw/zinc/48/64/21/897486421.db2.gz NMCVTCYITUZUIP-FOIQADDNSA-N 1 1 398.482 3.824 20 5 GHBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000568389896 897801621 /nfs/dbraw/zinc/80/16/21/897801621.db2.gz GBCZBUXYGVGABA-IBGZPJMESA-N 1 1 383.448 3.514 20 5 GHBDMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000568816717 898129256 /nfs/dbraw/zinc/12/92/56/898129256.db2.gz POIDIRQETLLCJH-JTQLQIEISA-N 1 1 396.216 3.786 20 5 GHBDMO CCc1nccn1[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000106212310 898260877 /nfs/dbraw/zinc/26/08/77/898260877.db2.gz DBKFKHAVTAZRED-SFHVURJKSA-N 1 1 395.463 3.888 20 5 GHBDMO Cc1c(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000043347935 898483977 /nfs/dbraw/zinc/48/39/77/898483977.db2.gz OAOXBPAKFDTGGQ-QGZVFWFLSA-N 1 1 376.844 3.981 20 5 GHBDMO CC(C)(C)c1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000569530001 898751898 /nfs/dbraw/zinc/75/18/98/898751898.db2.gz FXKOXVKIZXHPBW-JXFKEZNVSA-N 1 1 386.452 3.868 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)o1 ZINC000289722318 914314116 /nfs/dbraw/zinc/31/41/16/914314116.db2.gz PJYZCXOGMANYMM-DOMZBBRYSA-N 1 1 384.354 3.848 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823598251 899121966 /nfs/dbraw/zinc/12/19/66/899121966.db2.gz GUHYDBZXWRUSRI-VBKZILBWSA-N 1 1 382.420 3.545 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000134110974 899587904 /nfs/dbraw/zinc/58/79/04/899587904.db2.gz SVCYLQXSXBGXPO-HOTGVXAUSA-N 1 1 393.484 3.599 20 5 GHBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000824620419 899743522 /nfs/dbraw/zinc/74/35/22/899743522.db2.gz NTOKFNDSTXEIFI-NWDGAFQWSA-N 1 1 394.258 3.683 20 5 GHBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000824620419 899743527 /nfs/dbraw/zinc/74/35/27/899743527.db2.gz NTOKFNDSTXEIFI-NWDGAFQWSA-N 1 1 394.258 3.683 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000571231453 899790162 /nfs/dbraw/zinc/79/01/62/899790162.db2.gz LEAVUIQNEWNGTK-IBGZPJMESA-N 1 1 380.448 3.865 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000824971674 899921064 /nfs/dbraw/zinc/92/10/64/899921064.db2.gz WOSIRMXBYMJZDB-HOCLYGCPSA-N 1 1 383.279 3.981 20 5 GHBDMO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1n1cccn1 ZINC000825118521 899989752 /nfs/dbraw/zinc/98/97/52/899989752.db2.gz TWFFBLFHJCHYHY-BRWVUGGUSA-N 1 1 378.860 3.732 20 5 GHBDMO Cc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000571928270 900011604 /nfs/dbraw/zinc/01/16/04/900011604.db2.gz AFFMVGRHQYJFOO-RBUKOAKNSA-N 1 1 394.475 3.889 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137026516 900776008 /nfs/dbraw/zinc/77/60/08/900776008.db2.gz YHSQGZDZQMGKCG-NRFANRHFSA-N 1 1 380.448 3.583 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575166356 901149453 /nfs/dbraw/zinc/14/94/53/901149453.db2.gz FRGYWELMTYTHAY-AZUAARDMSA-N 1 1 381.476 3.557 20 5 GHBDMO O=C(C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccs1 ZINC000121808768 901680490 /nfs/dbraw/zinc/68/04/90/901680490.db2.gz OARJTNZEVRNCCV-HNNXBMFYSA-N 1 1 388.445 3.760 20 5 GHBDMO O=C(C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccs1 ZINC000121808768 901680494 /nfs/dbraw/zinc/68/04/94/901680494.db2.gz OARJTNZEVRNCCV-HNNXBMFYSA-N 1 1 388.445 3.760 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778982586 902462361 /nfs/dbraw/zinc/46/23/61/902462361.db2.gz USPOKBLKAWCUDH-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778982586 902462367 /nfs/dbraw/zinc/46/23/67/902462367.db2.gz USPOKBLKAWCUDH-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO Cn1ncc(Br)c1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000601292837 903546272 /nfs/dbraw/zinc/54/62/72/903546272.db2.gz UZTUDMOYTRLCRK-AWEZNQCLSA-N 1 1 379.258 3.603 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136918674 903823617 /nfs/dbraw/zinc/82/36/17/903823617.db2.gz NDYOCSNZBITDNH-MRXNPFEDSA-N 1 1 387.867 3.543 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000578474791 903878795 /nfs/dbraw/zinc/87/87/95/903878795.db2.gz FUMRXLFARNJHTG-QGZVFWFLSA-N 1 1 389.402 3.833 20 5 GHBDMO C[C@H](C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000579054051 904318343 /nfs/dbraw/zinc/31/83/43/904318343.db2.gz XBKZJQOXANVDDU-JTSKRJEESA-N 1 1 381.476 3.869 20 5 GHBDMO Cc1c(C[N@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001171544809 904773627 /nfs/dbraw/zinc/77/36/27/904773627.db2.gz BLVXIPSGTSQHLK-GOSISDBHSA-N 1 1 399.466 3.961 20 5 GHBDMO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCc2ccc(F)cc21 ZINC001171670816 904910021 /nfs/dbraw/zinc/91/00/21/904910021.db2.gz LRPQPULFJXSQQX-JLTOFOAXSA-N 1 1 383.423 3.501 20 5 GHBDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCc2ccc(F)cc21 ZINC001171670816 904910030 /nfs/dbraw/zinc/91/00/30/904910030.db2.gz LRPQPULFJXSQQX-JLTOFOAXSA-N 1 1 383.423 3.501 20 5 GHBDMO CC(C)(C)OC(=O)N1CC2(CC[N@H+]2[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172907030 905933209 /nfs/dbraw/zinc/93/32/09/905933209.db2.gz ZNDFWQLNEPRBJI-QGZVFWFLSA-N 1 1 387.480 3.537 20 5 GHBDMO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172908994 905946798 /nfs/dbraw/zinc/94/67/98/905946798.db2.gz QHKJDJXPCQCSPW-RBDMOPTHSA-N 1 1 388.508 3.750 20 5 GHBDMO COC(=O)[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1c1ccccc1 ZINC001172913985 905986632 /nfs/dbraw/zinc/98/66/32/905986632.db2.gz WUVJGJXQXCTTLJ-NNWRFLSQSA-N 1 1 394.471 3.731 20 5 GHBDMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911442 906018908 /nfs/dbraw/zinc/01/89/08/906018908.db2.gz BZRDYWYONOHLDO-FPOVZHCZSA-N 1 1 379.460 3.945 20 5 GHBDMO CC[N@@H+](Cc1ccccn1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017545 906095291 /nfs/dbraw/zinc/09/52/91/906095291.db2.gz FJXKQSQVNFUXNV-UHFFFAOYSA-N 1 1 376.407 3.759 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCN(c3ccccc3C)CC2)c1F ZINC001173186476 906268237 /nfs/dbraw/zinc/26/82/37/906268237.db2.gz SATKFXWSYLZMAC-MRXNPFEDSA-N 1 1 387.455 3.804 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](Oc3ncccc3C)C2)c1F ZINC001173191142 906272605 /nfs/dbraw/zinc/27/26/05/906272605.db2.gz ARKNNTBJHVFDBO-HUUCEWRRSA-N 1 1 389.427 3.530 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1F ZINC001173193621 906277413 /nfs/dbraw/zinc/27/74/13/906277413.db2.gz UQZYXAWHQIAOCK-HUUCEWRRSA-N 1 1 389.427 3.530 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](Cc2ccccc2)CC(C)(C)O)c1F ZINC001173193693 906277537 /nfs/dbraw/zinc/27/75/37/906277537.db2.gz VCWIGZDXIBEFIG-OAHLLOKOSA-N 1 1 390.455 3.947 20 5 GHBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194701 906280163 /nfs/dbraw/zinc/28/01/63/906280163.db2.gz YIXOQXHCZYWMFR-ZDUSSCGKSA-N 1 1 390.411 3.924 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001173228443 906312150 /nfs/dbraw/zinc/31/21/50/906312150.db2.gz RFVHOMRRGCBHGX-JJCGOBCMSA-N 1 1 397.475 3.622 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001173230718 906314703 /nfs/dbraw/zinc/31/47/03/906314703.db2.gz ZVGASETUJDARJD-HZPDHXFCSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173231128 906315884 /nfs/dbraw/zinc/31/58/84/906315884.db2.gz JTWVRHIWJYBYOF-BBRMVZONSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173231128 906315915 /nfs/dbraw/zinc/31/59/15/906315915.db2.gz JTWVRHIWJYBYOF-BBRMVZONSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173231137 906316461 /nfs/dbraw/zinc/31/64/61/906316461.db2.gz JTWVRHIWJYBYOF-XJKSGUPXSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173231137 906316476 /nfs/dbraw/zinc/31/64/76/906316476.db2.gz JTWVRHIWJYBYOF-XJKSGUPXSA-N 1 1 399.438 3.760 20 5 GHBDMO CSc1cccc(C(=O)OC[C@H]2CCC[N@@H+]2Cc2ccco2)c1[N+](=O)[O-] ZINC000777344317 906518139 /nfs/dbraw/zinc/51/81/39/906518139.db2.gz LBHQTQFHWIIOOH-CYBMUJFWSA-N 1 1 376.434 3.731 20 5 GHBDMO CSc1cccc(C(=O)OC[C@H]2CCC[N@H+]2Cc2ccco2)c1[N+](=O)[O-] ZINC000777344317 906518149 /nfs/dbraw/zinc/51/81/49/906518149.db2.gz LBHQTQFHWIIOOH-CYBMUJFWSA-N 1 1 376.434 3.731 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001174832235 907228881 /nfs/dbraw/zinc/22/88/81/907228881.db2.gz KTQQVMSEIMXLAD-SJLPKXTDSA-N 1 1 399.516 3.775 20 5 GHBDMO COc1cc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC000191878172 907300801 /nfs/dbraw/zinc/30/08/01/907300801.db2.gz LTGBQFXNVUAXHK-QGZVFWFLSA-N 1 1 381.432 3.537 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@]2(C)C1 ZINC001175044628 907353071 /nfs/dbraw/zinc/35/30/71/907353071.db2.gz HFPUXIGYRZTDIT-BGYRXZFFSA-N 1 1 393.459 3.813 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@]2(C)C1 ZINC001175044628 907353081 /nfs/dbraw/zinc/35/30/81/907353081.db2.gz HFPUXIGYRZTDIT-BGYRXZFFSA-N 1 1 393.459 3.813 20 5 GHBDMO OCC[NH+]1CCN(c2cc(Nc3c4ccccc4cc4ccccc43)ncn2)CC1 ZINC001175352273 907512788 /nfs/dbraw/zinc/51/27/88/907512788.db2.gz IAXCWJCJSQUDLM-UHFFFAOYSA-N 1 1 399.498 3.641 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357469 907606215 /nfs/dbraw/zinc/60/62/15/907606215.db2.gz UPLMSSKBTLDKMH-LJQANCHMSA-N 1 1 389.883 3.629 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)nc2c1 ZINC000192134893 908726974 /nfs/dbraw/zinc/72/69/74/908726974.db2.gz CCMLMKQQWQAGOL-RDTXWAMCSA-N 1 1 375.331 3.634 20 5 GHBDMO C[C@@H]1[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@H+]1C ZINC001178224306 908962804 /nfs/dbraw/zinc/96/28/04/908962804.db2.gz GPBRITRJGLEDTK-MLGOLLRUSA-N 1 1 389.839 3.863 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]3/C=C/c3ccccc3)n2)c1 ZINC000779886274 909060002 /nfs/dbraw/zinc/06/00/02/909060002.db2.gz BUSUBQSDNSJXGB-CVTTXWKISA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@H]3/C=C/c3ccccc3)n2)c1 ZINC000779886274 909060028 /nfs/dbraw/zinc/06/00/28/909060028.db2.gz BUSUBQSDNSJXGB-CVTTXWKISA-N 1 1 375.432 3.989 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000274006005 911175133 /nfs/dbraw/zinc/17/51/33/911175133.db2.gz ZYGRIPGSDXVNLC-RDTXWAMCSA-N 1 1 387.386 3.630 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000774516258 911843684 /nfs/dbraw/zinc/84/36/84/911843684.db2.gz HZZOJNWNHAJVKQ-CRAIPNDOSA-N 1 1 394.475 3.734 20 5 GHBDMO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284448011 911871227 /nfs/dbraw/zinc/87/12/27/911871227.db2.gz ZWKLTKLDLSPZFJ-ZOCIIQOWSA-N 1 1 393.447 3.741 20 5 GHBDMO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284448011 911871239 /nfs/dbraw/zinc/87/12/39/911871239.db2.gz ZWKLTKLDLSPZFJ-ZOCIIQOWSA-N 1 1 393.447 3.741 20 5 GHBDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284448003 911871640 /nfs/dbraw/zinc/87/16/40/911871640.db2.gz ZWKLTKLDLSPZFJ-GDIGMMSISA-N 1 1 393.447 3.741 20 5 GHBDMO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284448003 911871650 /nfs/dbraw/zinc/87/16/50/911871650.db2.gz ZWKLTKLDLSPZFJ-GDIGMMSISA-N 1 1 393.447 3.741 20 5 GHBDMO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001186905934 914891973 /nfs/dbraw/zinc/89/19/73/914891973.db2.gz NZNJGBUNLZOJHF-BZUAXINKSA-N 1 1 379.464 3.959 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000303779144 915114623 /nfs/dbraw/zinc/11/46/23/915114623.db2.gz CRFYZCUWPWHEPQ-UHFFFAOYSA-N 1 1 387.867 3.639 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000802009736 921748678 /nfs/dbraw/zinc/74/86/78/921748678.db2.gz SGSOAYVHZSZRAA-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000802009736 921748689 /nfs/dbraw/zinc/74/86/89/921748689.db2.gz SGSOAYVHZSZRAA-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CC[N@H+]3C3CCCCCC3)c2c1 ZINC001187361462 915195407 /nfs/dbraw/zinc/19/54/07/915195407.db2.gz LDYFHBZRMGRHJU-INIZCTEOSA-N 1 1 384.480 3.783 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000292111642 915521242 /nfs/dbraw/zinc/52/12/42/915521242.db2.gz HAFAHMWCMXAYBZ-CABCVRRESA-N 1 1 385.468 3.512 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000360341022 916069860 /nfs/dbraw/zinc/06/98/60/916069860.db2.gz BRKLQUHJWZRCJU-GOEBONIOSA-N 1 1 379.420 3.665 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC001191084552 917773939 /nfs/dbraw/zinc/77/39/39/917773939.db2.gz AUVSSHSSTDBBDC-DOMZBBRYSA-N 1 1 386.233 3.964 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC001191084552 917773952 /nfs/dbraw/zinc/77/39/52/917773952.db2.gz AUVSSHSSTDBBDC-DOMZBBRYSA-N 1 1 386.233 3.964 20 5 GHBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001191474261 918010540 /nfs/dbraw/zinc/01/05/40/918010540.db2.gz ICIAAAWMOFITEG-BLIXFSHQSA-N 1 1 379.460 3.653 20 5 GHBDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001191744144 918193335 /nfs/dbraw/zinc/19/33/35/918193335.db2.gz ZDAHOOFPKRXIBF-HZPDHXFCSA-N 1 1 383.876 3.712 20 5 GHBDMO Cc1cc(F)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000296662025 918555769 /nfs/dbraw/zinc/55/57/69/918555769.db2.gz GNKNBPPTIBVZMX-GUYCJALGSA-N 1 1 376.432 3.523 20 5 GHBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000116107989 919498158 /nfs/dbraw/zinc/49/81/58/919498158.db2.gz GEMGHEQNWUTOOV-UHFFFAOYSA-N 1 1 393.418 3.845 20 5 GHBDMO O=c1ccccn1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000800544603 920261708 /nfs/dbraw/zinc/26/17/08/920261708.db2.gz AHGAEXGVNHNPEE-GOSISDBHSA-N 1 1 383.835 3.941 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000800567529 920278047 /nfs/dbraw/zinc/27/80/47/920278047.db2.gz MGYWRBGCVNHPKM-OZIPEELISA-N 1 1 379.460 3.734 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000902501174 922241522 /nfs/dbraw/zinc/24/15/22/922241522.db2.gz IXUAOAQVEAZLGK-KCZVDYSFSA-N 1 1 379.460 3.818 20 5 GHBDMO COc1cc([C@@H](C)[NH2+]Cc2ccncc2OCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903168382 922825970 /nfs/dbraw/zinc/82/59/70/922825970.db2.gz WCRYBRJQJJRXEL-LLVKDONJSA-N 1 1 385.342 3.790 20 5 GHBDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000011365362 924886617 /nfs/dbraw/zinc/88/66/17/924886617.db2.gz HKMQWYXUVOVFKZ-UHFFFAOYSA-N 1 1 388.420 3.501 20 5 GHBDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000011365362 924886622 /nfs/dbraw/zinc/88/66/22/924886622.db2.gz HKMQWYXUVOVFKZ-UHFFFAOYSA-N 1 1 388.420 3.501 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000827148412 924898900 /nfs/dbraw/zinc/89/89/00/924898900.db2.gz JIHGNMDOWVXHKK-CXAGYDPISA-N 1 1 377.872 3.646 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000827148415 924898949 /nfs/dbraw/zinc/89/89/49/924898949.db2.gz JIHGNMDOWVXHKK-GUYCJALGSA-N 1 1 377.872 3.646 20 5 GHBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000410053911 925282206 /nfs/dbraw/zinc/28/22/06/925282206.db2.gz OQICALSZXMHVSP-QGZVFWFLSA-N 1 1 387.505 3.859 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCN1c1cccc(Cl)c1 ZINC000749922946 927350861 /nfs/dbraw/zinc/35/08/61/927350861.db2.gz FWOUNUBBCKMKCK-INIZCTEOSA-N 1 1 380.231 3.797 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000750618072 927756298 /nfs/dbraw/zinc/75/62/98/927756298.db2.gz ZSILYTWGYAXDBQ-UNMCSNQZSA-N 1 1 397.475 3.820 20 5 GHBDMO COCCC[N@H+]1Cc2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000751024414 927985914 /nfs/dbraw/zinc/98/59/14/927985914.db2.gz HZIILKRAEBRHHT-UHFFFAOYSA-N 1 1 386.477 3.756 20 5 GHBDMO O=[N+]([O-])c1ccc2ccnc(NCc3ccccc3C[NH+]3CCOCC3)c2c1 ZINC000413040331 928130770 /nfs/dbraw/zinc/13/07/70/928130770.db2.gz UBILGSYBACACLV-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544187712 928908847 /nfs/dbraw/zinc/90/88/47/928908847.db2.gz GDIUICMEYSNFDR-NVXWUHKLSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544187712 928908856 /nfs/dbraw/zinc/90/88/56/928908856.db2.gz GDIUICMEYSNFDR-NVXWUHKLSA-N 1 1 383.448 3.728 20 5 GHBDMO CC1(C)CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1Cc1ccccc1 ZINC000544410411 929142779 /nfs/dbraw/zinc/14/27/79/929142779.db2.gz NNQUIVHEKPMNGF-UHFFFAOYSA-N 1 1 377.448 3.639 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000753920930 929593211 /nfs/dbraw/zinc/59/32/11/929593211.db2.gz MCJVOIBXEIPFDM-MRXNPFEDSA-N 1 1 389.402 3.909 20 5 GHBDMO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757104945 929644199 /nfs/dbraw/zinc/64/41/99/929644199.db2.gz UYIYCMACCLMWOR-SJLPKXTDSA-N 1 1 377.485 3.763 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107693 929645818 /nfs/dbraw/zinc/64/58/18/929645818.db2.gz VDUDQMZHPOEAEK-RHSMWYFYSA-N 1 1 393.484 3.729 20 5 GHBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)s1 ZINC000469181445 929661120 /nfs/dbraw/zinc/66/11/20/929661120.db2.gz ZBUPTABOYPQGMU-UHFFFAOYSA-N 1 1 392.458 3.610 20 5 GHBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[N@H+]1Cc1ccccc1 ZINC000757785510 929798392 /nfs/dbraw/zinc/79/83/92/929798392.db2.gz CQTLOUJYABDOCE-DOTOQJQBSA-N 1 1 396.447 3.626 20 5 GHBDMO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470113947 930384311 /nfs/dbraw/zinc/38/43/11/930384311.db2.gz JEFRUTBAHSTAHX-GOSISDBHSA-N 1 1 386.427 3.862 20 5 GHBDMO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000759746398 930473913 /nfs/dbraw/zinc/47/39/13/930473913.db2.gz CFMHLVBPZHSGCO-UHFFFAOYSA-N 1 1 380.326 3.933 20 5 GHBDMO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000759746398 930473920 /nfs/dbraw/zinc/47/39/20/930473920.db2.gz CFMHLVBPZHSGCO-UHFFFAOYSA-N 1 1 380.326 3.933 20 5 GHBDMO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470675295 930812575 /nfs/dbraw/zinc/81/25/75/930812575.db2.gz QHZMKVLVQINWQB-GOSISDBHSA-N 1 1 387.867 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000782079105 931083168 /nfs/dbraw/zinc/08/31/68/931083168.db2.gz ZQNOVCAIYFSEKX-CQSZACIVSA-N 1 1 385.645 3.834 20 5 GHBDMO C/C(=C/C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784055599 931768421 /nfs/dbraw/zinc/76/84/21/931768421.db2.gz KKASNZKTNWJSRY-BXWQOUMASA-N 1 1 393.487 3.979 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cc(F)ccc1[N+](=O)[O-] ZINC000784326589 931856975 /nfs/dbraw/zinc/85/69/75/931856975.db2.gz JEFQGELWZOLEQQ-FFZOFVMBSA-N 1 1 397.450 3.764 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000784517028 931921869 /nfs/dbraw/zinc/92/18/69/931921869.db2.gz PIQNBPBSEJSPSZ-SOUVJXGZSA-N 1 1 381.498 3.782 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000797519164 932317623 /nfs/dbraw/zinc/31/76/23/932317623.db2.gz XHKSUBVMURXQIP-PBHICJAKSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)c([N+](=O)[O-])cc1F ZINC000559308304 932589766 /nfs/dbraw/zinc/58/97/66/932589766.db2.gz JKDBZGTYHWOCFK-GFCCVEGCSA-N 1 1 388.374 3.918 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798482105 932665615 /nfs/dbraw/zinc/66/56/15/932665615.db2.gz IEGSJZHIPVAHHA-QFIPXVFZSA-N 1 1 396.491 3.648 20 5 GHBDMO C[C@]1(CNC(=O)CSc2ccccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000798523467 932688042 /nfs/dbraw/zinc/68/80/42/932688042.db2.gz KRMLNQXUFITJHU-OAQYLSRUSA-N 1 1 399.516 3.715 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000799360823 932970048 /nfs/dbraw/zinc/97/00/48/932970048.db2.gz PHZWIBBPDUHJNU-QGZVFWFLSA-N 1 1 377.485 3.764 20 5 GHBDMO CN1CC[NH+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4cnccc34)c2)CC1 ZINC001115976428 933266313 /nfs/dbraw/zinc/26/63/13/933266313.db2.gz IKMYYVRDVRWVIC-UHFFFAOYSA-N 1 1 391.475 3.503 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001116127034 933349488 /nfs/dbraw/zinc/34/94/88/933349488.db2.gz XVMMVURYCCTBMZ-FZKQIMNGSA-N 1 1 388.493 3.511 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC001116468310 933576835 /nfs/dbraw/zinc/57/68/35/933576835.db2.gz FQGAXTBQVCSGDX-NSHDSACASA-N 1 1 397.353 3.933 20 5 GHBDMO C[N@H+](C[C@H]1OCCc2ccccc21)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957915 934385297 /nfs/dbraw/zinc/38/52/97/934385297.db2.gz ZBHFZZSKIHBBKC-OAQYLSRUSA-N 1 1 378.432 3.662 20 5 GHBDMO C[N@@H+](C[C@H]1OCCc2ccccc21)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957915 934385307 /nfs/dbraw/zinc/38/53/07/934385307.db2.gz ZBHFZZSKIHBBKC-OAQYLSRUSA-N 1 1 378.432 3.662 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)o1 ZINC000931910433 934762349 /nfs/dbraw/zinc/76/23/49/934762349.db2.gz QCPJQTSWMRRZNW-CQSZACIVSA-N 1 1 386.305 3.511 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)o1 ZINC000931910433 934762352 /nfs/dbraw/zinc/76/23/52/934762352.db2.gz QCPJQTSWMRRZNW-CQSZACIVSA-N 1 1 386.305 3.511 20 5 GHBDMO CCc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000545476760 1015918790 /nfs/dbraw/zinc/91/87/90/1015918790.db2.gz HNGWSIZOACLDBI-FQEVSTJZSA-N 1 1 381.476 3.894 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001227296849 1032359638 /nfs/dbraw/zinc/35/96/38/1032359638.db2.gz BESGBUUVENKKGO-HNAYVOBHSA-N 1 1 384.432 3.671 20 5 GHBDMO Cn1cc([C@H]2CCCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000560195892 1017571335 /nfs/dbraw/zinc/57/13/35/1017571335.db2.gz GUYNOEFCWFNMEJ-GOSISDBHSA-N 1 1 381.436 3.753 20 5 GHBDMO Cc1ccccc1C[C@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000562491762 1018219486 /nfs/dbraw/zinc/21/94/86/1018219486.db2.gz NEXCRHQLAVRHOJ-INIZCTEOSA-N 1 1 383.448 3.764 20 5 GHBDMO C[C@H](Oc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228139070 1032805999 /nfs/dbraw/zinc/80/59/99/1032805999.db2.gz PGQKSRPICAKDIY-KKSFZXQISA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@H](Oc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228139070 1032806015 /nfs/dbraw/zinc/80/60/15/1032806015.db2.gz PGQKSRPICAKDIY-KKSFZXQISA-N 1 1 393.443 3.811 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000158085608 1019909796 /nfs/dbraw/zinc/90/97/96/1019909796.db2.gz LIRAXLKHRLGIKE-ZDUSSCGKSA-N 1 1 389.839 3.685 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000158085608 1019909797 /nfs/dbraw/zinc/90/97/97/1019909797.db2.gz LIRAXLKHRLGIKE-ZDUSSCGKSA-N 1 1 389.839 3.685 20 5 GHBDMO C[C@H]([N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C(C)(C)C ZINC000795407358 1021054713 /nfs/dbraw/zinc/05/47/13/1021054713.db2.gz BJZGZBCCEANVBS-JTQLQIEISA-N 1 1 384.274 3.637 20 5 GHBDMO O=[N+]([O-])c1c(F)cc(F)cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001228613055 1033005510 /nfs/dbraw/zinc/00/55/10/1033005510.db2.gz OKYPTRRBCKXYCS-INIZCTEOSA-N 1 1 378.375 3.543 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3cc(F)cc(F)c3[N+](=O)[O-])[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001228611659 1033005803 /nfs/dbraw/zinc/00/58/03/1033005803.db2.gz NVCUBBCFGFCOSN-BMGDILEWSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3cc(F)cc(F)c3[N+](=O)[O-])[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001228611659 1033005814 /nfs/dbraw/zinc/00/58/14/1033005814.db2.gz NVCUBBCFGFCOSN-BMGDILEWSA-N 1 1 388.370 3.626 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000754096279 1022478184 /nfs/dbraw/zinc/47/81/84/1022478184.db2.gz DCXNDQBLWKCRIM-ATGUSINASA-N 1 1 385.489 3.623 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000754096279 1022478190 /nfs/dbraw/zinc/47/81/90/1022478190.db2.gz DCXNDQBLWKCRIM-ATGUSINASA-N 1 1 385.489 3.623 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC001228803020 1033105064 /nfs/dbraw/zinc/10/50/64/1033105064.db2.gz RLTUMXYAEAHHIA-KXBFYZLASA-N 1 1 394.427 3.991 20 5 GHBDMO COc1ccc([C@H]2[C@H](COC(=O)CCc3cccc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000756283646 1023577228 /nfs/dbraw/zinc/57/72/28/1023577228.db2.gz FHQODQXAHHYTOH-AVRDEDQJSA-N 1 1 398.459 3.772 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)c([N+](=O)[O-])c1 ZINC000830512938 1023961915 /nfs/dbraw/zinc/96/19/15/1023961915.db2.gz SGSPSVNCXNZVIG-LJQANCHMSA-N 1 1 383.404 3.663 20 5 GHBDMO CC(C)(CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[N+](=O)[O-] ZINC000831386070 1024534161 /nfs/dbraw/zinc/53/41/61/1024534161.db2.gz CVRUIVOECCLLMI-LEWJYISDSA-N 1 1 395.503 3.606 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001229059839 1033256714 /nfs/dbraw/zinc/25/67/14/1033256714.db2.gz WPQQBJBFFXWCCZ-DNVCBOLYSA-N 1 1 384.432 3.671 20 5 GHBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001141557402 1025532772 /nfs/dbraw/zinc/53/27/72/1025532772.db2.gz FWDGNIOMEPRTJZ-OAHLLOKOSA-N 1 1 391.830 3.782 20 5 GHBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001141609305 1025878082 /nfs/dbraw/zinc/87/80/82/1025878082.db2.gz DNVJYSMUOMDLAU-LLVKDONJSA-N 1 1 386.290 3.516 20 5 GHBDMO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000839514317 1025997511 /nfs/dbraw/zinc/99/75/11/1025997511.db2.gz GLEYFQOJJHDCFJ-CTNGQTDRSA-N 1 1 383.448 3.512 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1Br ZINC000839619813 1026124520 /nfs/dbraw/zinc/12/45/20/1026124520.db2.gz YEKBZPGJJYWAHL-GOEBONIOSA-N 1 1 383.286 3.730 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1Br ZINC000839619813 1026124526 /nfs/dbraw/zinc/12/45/26/1026124526.db2.gz YEKBZPGJJYWAHL-GOEBONIOSA-N 1 1 383.286 3.730 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)c1cccc(Br)c1 ZINC000839639974 1026147743 /nfs/dbraw/zinc/14/77/43/1026147743.db2.gz KODFXQJJOWCTLJ-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)c1cccc(Br)c1 ZINC000839639974 1026147745 /nfs/dbraw/zinc/14/77/45/1026147745.db2.gz KODFXQJJOWCTLJ-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000839677531 1026191832 /nfs/dbraw/zinc/19/18/32/1026191832.db2.gz VDMGPUQRFQJLPP-LJQANCHMSA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000839677531 1026191836 /nfs/dbraw/zinc/19/18/36/1026191836.db2.gz VDMGPUQRFQJLPP-LJQANCHMSA-N 1 1 379.432 3.709 20 5 GHBDMO C[N@H+]1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)[C@H](c2ccccc2)C1 ZINC001163674370 1026278782 /nfs/dbraw/zinc/27/87/82/1026278782.db2.gz KUTIUJKIUNRZPP-KRWDZBQOSA-N 1 1 383.839 3.685 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(NC[C@H]3CC[N@H+]3Cc3ccccc3)c2c1 ZINC001163763618 1026306574 /nfs/dbraw/zinc/30/65/74/1026306574.db2.gz BYZBZIXDXHAPIB-CQSZACIVSA-N 1 1 383.839 3.878 20 5 GHBDMO C[C@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+]1CCCCCC1 ZINC000839863822 1026317423 /nfs/dbraw/zinc/31/74/23/1026317423.db2.gz LCEWLWJYALCRAM-ABAIWWIYSA-N 1 1 391.365 3.718 20 5 GHBDMO COC(=O)[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)[C@H](C(=O)OC)C1 ZINC001141727904 1026360150 /nfs/dbraw/zinc/36/01/50/1026360150.db2.gz GZFSOAFDYRXYHI-GCJKJVERSA-N 1 1 391.467 3.920 20 5 GHBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)[C@H](C(=O)OC)C1 ZINC001141727904 1026360160 /nfs/dbraw/zinc/36/01/60/1026360160.db2.gz GZFSOAFDYRXYHI-GCJKJVERSA-N 1 1 391.467 3.920 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001164498277 1026533986 /nfs/dbraw/zinc/53/39/86/1026533986.db2.gz DXJRUSMPWIHZJG-CEXWTWQISA-N 1 1 395.459 3.704 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001165202352 1026663805 /nfs/dbraw/zinc/66/38/05/1026663805.db2.gz UPMDRHKJEHDBPZ-NWDGAFQWSA-N 1 1 396.278 3.791 20 5 GHBDMO Cc1ccc2c(ccnc2NCc2ccc(C[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC001165325767 1026704614 /nfs/dbraw/zinc/70/46/14/1026704614.db2.gz CFARZXCZKRHBNY-UHFFFAOYSA-N 1 1 392.459 3.896 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000840268934 1027395247 /nfs/dbraw/zinc/39/52/47/1027395247.db2.gz IWDXDUHITSIPFR-JTQLQIEISA-N 1 1 389.221 3.528 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C(C)C ZINC001461507386 1069583734 /nfs/dbraw/zinc/58/37/34/1069583734.db2.gz GHRJCFBRAHLQLR-UHFFFAOYSA-N 1 1 387.392 3.953 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(Br)cc1O ZINC000842929844 1029694144 /nfs/dbraw/zinc/69/41/44/1029694144.db2.gz ATSILUBUAFTNGU-VIFPVBQESA-N 1 1 396.241 3.505 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001143093471 1029839648 /nfs/dbraw/zinc/83/96/48/1029839648.db2.gz VGCLRQXXNHRZRH-MRXNPFEDSA-N 1 1 396.491 3.918 20 5 GHBDMO CC(C)[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001461603323 1069635153 /nfs/dbraw/zinc/63/51/53/1069635153.db2.gz UNVOUOIUKWNLPU-NRFANRHFSA-N 1 1 399.466 3.645 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001222772559 1030303207 /nfs/dbraw/zinc/30/32/07/1030303207.db2.gz DRWCZQDQSGNZRR-IIBYNOLFSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1c(CO[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001223293444 1030513315 /nfs/dbraw/zinc/51/33/15/1030513315.db2.gz QGFDJCGCDLWTRK-GOSISDBHSA-N 1 1 384.432 3.563 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223488521 1030600165 /nfs/dbraw/zinc/60/01/65/1030600165.db2.gz AOTQFCFBEUMENC-KSSFIOAISA-N 1 1 386.408 3.640 20 5 GHBDMO O=[N+]([O-])c1cc(CO[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc([N+](=O)[O-])c1 ZINC001223490588 1030601708 /nfs/dbraw/zinc/60/17/08/1030601708.db2.gz YDMARTFCXKRVIN-IOMROCGXSA-N 1 1 397.431 3.930 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4CCC[NH2+]C[C@@H]4F)ccc3c21 ZINC001217950171 1030682412 /nfs/dbraw/zinc/68/24/12/1030682412.db2.gz XYPKQJQSUDZEKG-JKSUJKDBSA-N 1 1 383.375 3.867 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4CC[NH2+]CC[C@@H]4F)ccc3c21 ZINC001218014156 1030722684 /nfs/dbraw/zinc/72/26/84/1030722684.db2.gz FTVBKMHJARSUAI-HOTGVXAUSA-N 1 1 383.375 3.867 20 5 GHBDMO COc1cc(COC2CCN(c3ccc(C)c[nH+]3)CC2)c([N+](=O)[O-])cc1OC ZINC001223906471 1030802750 /nfs/dbraw/zinc/80/27/50/1030802750.db2.gz GPTZIJWPMGFYHR-UHFFFAOYSA-N 1 1 387.436 3.501 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cc2ccc[nH]c-2n1 ZINC001151547668 1030939423 /nfs/dbraw/zinc/93/94/23/1030939423.db2.gz VBPKSFKBGDOVDP-UHFFFAOYSA-N 1 1 397.438 3.820 20 5 GHBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC[C@H]21 ZINC001151993379 1031071855 /nfs/dbraw/zinc/07/18/55/1031071855.db2.gz QZSJRRWMKAAODX-HNAYVOBHSA-N 1 1 397.500 3.912 20 5 GHBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC2 ZINC001152463795 1031251703 /nfs/dbraw/zinc/25/17/03/1031251703.db2.gz BXZCZTCIPGACGQ-SFHVURJKSA-N 1 1 397.450 3.844 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226441502 1031961646 /nfs/dbraw/zinc/96/16/46/1031961646.db2.gz RAANLVQNHRHNGX-GDBMZVCRSA-N 1 1 379.420 3.537 20 5 GHBDMO C[C@H]1OCC[C@H]1COc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229808938 1033732914 /nfs/dbraw/zinc/73/29/14/1033732914.db2.gz WNRCBNZMLVFKSE-CVEARBPZSA-N 1 1 393.487 3.692 20 5 GHBDMO N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157742302 1033748801 /nfs/dbraw/zinc/74/88/01/1033748801.db2.gz BGZPWDXDPZLVNW-UPVQGACJSA-N 1 1 393.506 3.542 20 5 GHBDMO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2CCc3[nH+]ccn3C2)c1Br ZINC001229940172 1033803530 /nfs/dbraw/zinc/80/35/30/1033803530.db2.gz DXGPBSYXHKJVEZ-SECBINFHSA-N 1 1 386.633 3.909 20 5 GHBDMO Cc1cc(=O)oc2c1ccc(O[C@@H]1CC[N@H+]([C@@H](C)c3ccccn3)C1)c2[N+](=O)[O-] ZINC001229945730 1033807980 /nfs/dbraw/zinc/80/79/80/1033807980.db2.gz BQODUMGJTSGWIK-LSDHHAIUSA-N 1 1 395.415 3.619 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001230248121 1033961207 /nfs/dbraw/zinc/96/12/07/1033961207.db2.gz XNRAKIUQIDAZHQ-VFNWGFHPSA-N 1 1 383.448 3.843 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001230251285 1033962005 /nfs/dbraw/zinc/96/20/05/1033962005.db2.gz PCIGRFPVJBMFRS-RHSMWYFYSA-N 1 1 384.436 3.553 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)nc1 ZINC001461883085 1069832757 /nfs/dbraw/zinc/83/27/57/1069832757.db2.gz WNAFLYHRBUIXFH-QGZVFWFLSA-N 1 1 382.464 3.766 20 5 GHBDMO CC[N@H+]1CCC[C@@H](Oc2cc(OC)cc3oc4ccc(OC)c(O)c4c(=O)c23)C1 ZINC001230526416 1034102810 /nfs/dbraw/zinc/10/28/10/1034102810.db2.gz XQMMAPJWDRMYIZ-CYBMUJFWSA-N 1 1 399.443 3.532 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)c21 ZINC001231055738 1034368009 /nfs/dbraw/zinc/36/80/09/1034368009.db2.gz MTAIRSIBKATEOW-FUHIMQAGSA-N 1 1 390.443 3.827 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)C1 ZINC001231333764 1034526902 /nfs/dbraw/zinc/52/69/02/1034526902.db2.gz CODHXHXHTHCATN-CRAIPNDOSA-N 1 1 387.439 3.902 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[N@@H+](Cc4cccc(Cl)c4)C3)c2c1 ZINC001161182869 1035169219 /nfs/dbraw/zinc/16/92/19/1035169219.db2.gz XHCVMKCJYLKRSJ-HNNXBMFYSA-N 1 1 383.839 3.878 20 5 GHBDMO CCOC[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2c1cnn2C ZINC001232221047 1035169440 /nfs/dbraw/zinc/16/94/40/1035169440.db2.gz WFAQPRNIFVNCIN-GOSISDBHSA-N 1 1 387.487 3.652 20 5 GHBDMO CCOC[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2c1cnn2C ZINC001232221047 1035169442 /nfs/dbraw/zinc/16/94/42/1035169442.db2.gz WFAQPRNIFVNCIN-GOSISDBHSA-N 1 1 387.487 3.652 20 5 GHBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3ccc4cccc([N+](=O)[O-])c4n3)C2)c1 ZINC001161187992 1035171909 /nfs/dbraw/zinc/17/19/09/1035171909.db2.gz ODZMSSOXSBIGDI-KRWDZBQOSA-N 1 1 378.432 3.838 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001248209761 1035641467 /nfs/dbraw/zinc/64/14/67/1035641467.db2.gz VRHCTBJDIDBVSX-CQSZACIVSA-N 1 1 378.310 3.906 20 5 GHBDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001248662893 1036038036 /nfs/dbraw/zinc/03/80/36/1036038036.db2.gz VRPHIQNIBVQGHN-MSOLQXFVSA-N 1 1 396.491 3.962 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])c(-c2nnc(-c3ccc(N(C)C)cc3)o2)c1 ZINC001252362089 1038955975 /nfs/dbraw/zinc/95/59/75/1038955975.db2.gz RNUMIMQEQGXLHV-UHFFFAOYSA-N 1 1 390.403 3.872 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1[N+](=O)[O-] ZINC001234056043 1039789246 /nfs/dbraw/zinc/78/92/46/1039789246.db2.gz BNNGHTAPVBSFAC-OZOXKJRCSA-N 1 1 396.443 3.671 20 5 GHBDMO NC1(c2ccc(F)cc2)CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254470219 1040256138 /nfs/dbraw/zinc/25/61/38/1040256138.db2.gz KJHDKXLQSVKQMC-UHFFFAOYSA-N 1 1 398.482 3.653 20 5 GHBDMO COc1ccc(C[N@@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC001254479159 1040266780 /nfs/dbraw/zinc/26/67/80/1040266780.db2.gz QNDXJKUVZAXSFJ-UHFFFAOYSA-N 1 1 385.464 3.713 20 5 GHBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254480917 1040268130 /nfs/dbraw/zinc/26/81/30/1040268130.db2.gz PUCGLHWTLYRRPG-LJQANCHMSA-N 1 1 389.496 3.760 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001254551497 1040318281 /nfs/dbraw/zinc/31/82/81/1040318281.db2.gz CGSVQUYXTDZPHN-NXHRZFHOSA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001254551740 1040319724 /nfs/dbraw/zinc/31/97/24/1040319724.db2.gz FAPCLESHSQBNHC-HOTGVXAUSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001254553763 1040322669 /nfs/dbraw/zinc/32/26/69/1040322669.db2.gz YRFRYKDEUDVAHV-WBAXXEDZSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001254558644 1040327264 /nfs/dbraw/zinc/32/72/64/1040327264.db2.gz UYPSYYNWFMTGIX-AOMKIAJQSA-N 1 1 397.450 3.794 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001254559833 1040332715 /nfs/dbraw/zinc/33/27/15/1040332715.db2.gz NLCPTNNHYXVHAD-WBVHZDCISA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001254562976 1040336176 /nfs/dbraw/zinc/33/61/76/1040336176.db2.gz VHNWXPBPQYAAGA-XXBNENTESA-N 1 1 395.503 3.897 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001254562976 1040336195 /nfs/dbraw/zinc/33/61/95/1040336195.db2.gz VHNWXPBPQYAAGA-XXBNENTESA-N 1 1 395.503 3.897 20 5 GHBDMO [NH3+]C1(Cc2ccccc2Cl)CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254585114 1040359186 /nfs/dbraw/zinc/35/91/86/1040359186.db2.gz KFGFFHBEHZCKTR-LJQANCHMSA-N 1 1 385.895 3.751 20 5 GHBDMO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593257 1040365495 /nfs/dbraw/zinc/36/54/95/1040365495.db2.gz KOXSLMGZEXTGKI-SFHVURJKSA-N 1 1 387.480 3.537 20 5 GHBDMO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593257 1040365506 /nfs/dbraw/zinc/36/55/06/1040365506.db2.gz KOXSLMGZEXTGKI-SFHVURJKSA-N 1 1 387.480 3.537 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3CCC[C@@]3(COCc3ccncc3)C1)C2 ZINC001254595026 1040367175 /nfs/dbraw/zinc/36/71/75/1040367175.db2.gz HYGOSFLWRYBHFA-PUHATCMVSA-N 1 1 393.487 3.776 20 5 GHBDMO Cc1nc([C@H]2C[C@@H]3CC[N@H+]([C@H]4Cc5ccc([N+](=O)[O-])cc5C4)C[C@H]3O2)sc1C ZINC001254598284 1040371011 /nfs/dbraw/zinc/37/10/11/1040371011.db2.gz VRJYVDRZGUNEHF-KCUHQSDYSA-N 1 1 399.516 3.987 20 5 GHBDMO C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001254607941 1040379520 /nfs/dbraw/zinc/37/95/20/1040379520.db2.gz NQYQFFGASYKWSU-ZHALLVOQSA-N 1 1 389.496 3.830 20 5 GHBDMO COc1cc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)ccc1[N+](=O)[O-] ZINC001255385010 1040974780 /nfs/dbraw/zinc/97/47/80/1040974780.db2.gz AVMXQZHWEQDQOJ-MRXNPFEDSA-N 1 1 380.404 3.643 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCCc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255444357 1041044017 /nfs/dbraw/zinc/04/40/17/1041044017.db2.gz AHVNLQKSSPGOQG-KRWDZBQOSA-N 1 1 394.431 3.589 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@H]3c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC001256098968 1041526104 /nfs/dbraw/zinc/52/61/04/1041526104.db2.gz HNKNCNCMPZVUFB-IBGZPJMESA-N 1 1 382.464 3.804 20 5 GHBDMO CCC[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C(C)C ZINC001293906140 1044372261 /nfs/dbraw/zinc/37/22/61/1044372261.db2.gz VCYAVCUKRLZIKB-INIZCTEOSA-N 1 1 388.516 3.818 20 5 GHBDMO C[C@@H]1C[C@H](CCNc2cc(F)c([N+](=O)[O-])cc2CO)C[N@H+]1Cc1ccccc1 ZINC001307073138 1049055495 /nfs/dbraw/zinc/05/54/95/1049055495.db2.gz QAXRWPNNHOSWMT-WBVHZDCISA-N 1 1 387.455 3.939 20 5 GHBDMO CC[N@@H+](CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-])CCC(F)(F)F ZINC001307094885 1049070606 /nfs/dbraw/zinc/07/06/06/1049070606.db2.gz UPQQLQVYKLJGTB-UHFFFAOYSA-N 1 1 390.793 3.905 20 5 GHBDMO C[N@@H+]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001307195986 1049131576 /nfs/dbraw/zinc/13/15/76/1049131576.db2.gz LADWHTIZXNPLPG-HXUWFJFHSA-N 1 1 381.476 3.992 20 5 GHBDMO C[N@H+]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001307195986 1049131580 /nfs/dbraw/zinc/13/15/80/1049131580.db2.gz LADWHTIZXNPLPG-HXUWFJFHSA-N 1 1 381.476 3.992 20 5 GHBDMO O=C1[C@H]([NH+]2CCC(Cc3ccccc3F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001307524205 1049368754 /nfs/dbraw/zinc/36/87/54/1049368754.db2.gz HRYFEMGINJUOBT-OAQYLSRUSA-N 1 1 397.450 3.794 20 5 GHBDMO CC(C)[N@H+](Cc1cnn(Cc2ccccc2)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307607988 1049445993 /nfs/dbraw/zinc/44/59/93/1049445993.db2.gz FVZNQCUSVUNUNM-QFIPXVFZSA-N 1 1 394.475 3.784 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC001308085558 1049830382 /nfs/dbraw/zinc/83/03/82/1049830382.db2.gz ORKVRWSHNFYBCN-HUUCEWRRSA-N 1 1 388.493 3.641 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC001308085558 1049830391 /nfs/dbraw/zinc/83/03/91/1049830391.db2.gz ORKVRWSHNFYBCN-HUUCEWRRSA-N 1 1 388.493 3.641 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001308149818 1049887326 /nfs/dbraw/zinc/88/73/26/1049887326.db2.gz OUSQCOVXVBCWTI-QGZVFWFLSA-N 1 1 383.448 3.645 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001308149818 1049887327 /nfs/dbraw/zinc/88/73/27/1049887327.db2.gz OUSQCOVXVBCWTI-QGZVFWFLSA-N 1 1 383.448 3.645 20 5 GHBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308157354 1049891256 /nfs/dbraw/zinc/89/12/56/1049891256.db2.gz MVQDUKBTBGTJEB-UHFFFAOYSA-N 1 1 393.484 3.825 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC001308173724 1049900952 /nfs/dbraw/zinc/90/09/52/1049900952.db2.gz QDXGLZKVGIXVGR-JXFKEZNVSA-N 1 1 390.484 3.507 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001308802356 1050100522 /nfs/dbraw/zinc/10/05/22/1050100522.db2.gz LNEOFPZZFOKBLI-GDBMZVCRSA-N 1 1 378.469 3.793 20 5 GHBDMO CCOC(=O)[C@]1(F)C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001308857819 1050126317 /nfs/dbraw/zinc/12/63/17/1050126317.db2.gz AAJGMZOIZOYGMX-CKOFDZGGSA-N 1 1 376.428 3.755 20 5 GHBDMO CCOC(=O)[C@]1(F)C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001308857819 1050126319 /nfs/dbraw/zinc/12/63/19/1050126319.db2.gz AAJGMZOIZOYGMX-CKOFDZGGSA-N 1 1 376.428 3.755 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001328986809 1050687667 /nfs/dbraw/zinc/68/76/67/1050687667.db2.gz HVOUUVKRMOWQFJ-AEFFLSMTSA-N 1 1 396.491 3.762 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001328986810 1050687703 /nfs/dbraw/zinc/68/77/03/1050687703.db2.gz HVOUUVKRMOWQFJ-FUHWJXTLSA-N 1 1 396.491 3.762 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001329100897 1050719218 /nfs/dbraw/zinc/71/92/18/1050719218.db2.gz IJUHYVFGBAZSIT-UHFFFAOYSA-N 1 1 395.503 3.915 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC001329115061 1050723864 /nfs/dbraw/zinc/72/38/64/1050723864.db2.gz ULMJHWLCWWQCFK-UHFFFAOYSA-N 1 1 386.843 3.603 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)o1 ZINC001329171362 1050740195 /nfs/dbraw/zinc/74/01/95/1050740195.db2.gz BVALJJKRMWDYEJ-CFAZGSRYSA-N 1 1 394.880 3.994 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001310594901 1051475314 /nfs/dbraw/zinc/47/53/14/1051475314.db2.gz MDQIEFPEDUHOOH-QGZVFWFLSA-N 1 1 390.484 3.770 20 5 GHBDMO C[C@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001310800433 1051599884 /nfs/dbraw/zinc/59/98/84/1051599884.db2.gz PNAZPXYPIMYMEE-OAHLLOKOSA-N 1 1 386.427 3.720 20 5 GHBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001312079714 1052560807 /nfs/dbraw/zinc/56/08/07/1052560807.db2.gz SCMJWEFBXZGXOI-FQEVSTJZSA-N 1 1 396.491 3.839 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001312283037 1052677830 /nfs/dbraw/zinc/67/78/30/1052677830.db2.gz GETXPTLDYUGYID-KRWDZBQOSA-N 1 1 394.903 3.845 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001317839305 1054276085 /nfs/dbraw/zinc/27/60/85/1054276085.db2.gz TWBKPEXTTDTDQP-INIZCTEOSA-N 1 1 396.491 3.941 20 5 GHBDMO CC(C)[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1ccccc1 ZINC001319513607 1055298718 /nfs/dbraw/zinc/29/87/18/1055298718.db2.gz VQEAUYMMCCVUBJ-UHFFFAOYSA-N 1 1 383.448 3.846 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC001320177658 1055692615 /nfs/dbraw/zinc/69/26/15/1055692615.db2.gz VVVRBXHRFHHJNC-OALUTQOASA-N 1 1 385.439 3.573 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC001320177658 1055692619 /nfs/dbraw/zinc/69/26/19/1055692619.db2.gz VVVRBXHRFHHJNC-OALUTQOASA-N 1 1 385.439 3.573 20 5 GHBDMO Cc1cc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001320225833 1055715242 /nfs/dbraw/zinc/71/52/42/1055715242.db2.gz NRJIWCRUCRGRQU-FUHWJXTLSA-N 1 1 395.507 3.847 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320542523 1055872612 /nfs/dbraw/zinc/87/26/12/1055872612.db2.gz CTVGZYUVUYMICY-MAODMQOUSA-N 1 1 399.466 3.864 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320542523 1055872614 /nfs/dbraw/zinc/87/26/14/1055872614.db2.gz CTVGZYUVUYMICY-MAODMQOUSA-N 1 1 399.466 3.864 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320664692 1055920931 /nfs/dbraw/zinc/92/09/31/1055920931.db2.gz NANRERAUHJZVJE-QFBILLFUSA-N 1 1 386.427 3.918 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320664692 1055920939 /nfs/dbraw/zinc/92/09/39/1055920939.db2.gz NANRERAUHJZVJE-QFBILLFUSA-N 1 1 386.427 3.918 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001320780151 1055958066 /nfs/dbraw/zinc/95/80/66/1055958066.db2.gz XPMRYIDFQZFSLW-WBVHZDCISA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001320780151 1055958068 /nfs/dbraw/zinc/95/80/68/1055958068.db2.gz XPMRYIDFQZFSLW-WBVHZDCISA-N 1 1 392.818 3.954 20 5 GHBDMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccc([N+](=O)[O-])s1 ZINC001321487042 1056287440 /nfs/dbraw/zinc/28/74/40/1056287440.db2.gz WYNMHKSQFQLPHG-UHFFFAOYSA-N 1 1 385.449 3.771 20 5 GHBDMO Cc1cc(NCCC[N@H+](C)C2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472643844 1056637955 /nfs/dbraw/zinc/63/79/55/1056637955.db2.gz UWQPETGVQGFHPD-UHFFFAOYSA-N 1 1 383.496 3.849 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(F)cc1 ZINC001323001856 1056905518 /nfs/dbraw/zinc/90/55/18/1056905518.db2.gz BBHNFHDKHVDGQX-VQIMIIECSA-N 1 1 383.379 3.655 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(F)cc1 ZINC001323001856 1056905524 /nfs/dbraw/zinc/90/55/24/1056905524.db2.gz BBHNFHDKHVDGQX-VQIMIIECSA-N 1 1 383.379 3.655 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(C)c(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC001326652787 1057528494 /nfs/dbraw/zinc/52/84/94/1057528494.db2.gz DOJQHVJMMRNHQQ-UHFFFAOYSA-N 1 1 385.439 3.699 20 5 GHBDMO C[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC001441362148 1058765275 /nfs/dbraw/zinc/76/52/75/1058765275.db2.gz PXVWQMAWJMXHLT-NXEZZACHSA-N 1 1 392.258 3.891 20 5 GHBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001448998164 1060313752 /nfs/dbraw/zinc/31/37/52/1060313752.db2.gz JVYNGZSAFGFMNR-LLVKDONJSA-N 1 1 392.258 3.891 20 5 GHBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001455294291 1062094959 /nfs/dbraw/zinc/09/49/59/1062094959.db2.gz HRXLTOSYPAKGFG-SFHVURJKSA-N 1 1 385.439 3.861 20 5 GHBDMO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCCC1 ZINC001455494931 1062185640 /nfs/dbraw/zinc/18/56/40/1062185640.db2.gz HRQKDZSGPPHECH-UHFFFAOYSA-N 1 1 397.475 3.865 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCCC1 ZINC001455494931 1062185659 /nfs/dbraw/zinc/18/56/59/1062185659.db2.gz HRQKDZSGPPHECH-UHFFFAOYSA-N 1 1 397.475 3.865 20 5 GHBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001455763371 1062282850 /nfs/dbraw/zinc/28/28/50/1062282850.db2.gz GEMAFNNFQLUZPK-PKOBYXMFSA-N 1 1 394.475 3.516 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001435195239 1062377790 /nfs/dbraw/zinc/37/77/90/1062377790.db2.gz ONLIUTXIGKBHGQ-IFMALSPDSA-N 1 1 395.503 3.944 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3CC[N@H+](C)C(C)(C)C3)c([N+](=O)[O-])c2)cc1 ZINC001458465939 1063826495 /nfs/dbraw/zinc/82/64/95/1063826495.db2.gz VXMIQWCUPDTTDS-UHFFFAOYSA-N 1 1 382.464 3.686 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001459354235 1064073348 /nfs/dbraw/zinc/07/33/48/1064073348.db2.gz LNQMFTSVCXEQGS-QGZVFWFLSA-N 1 1 399.878 3.844 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001459354235 1064073351 /nfs/dbraw/zinc/07/33/51/1064073351.db2.gz LNQMFTSVCXEQGS-QGZVFWFLSA-N 1 1 399.878 3.844 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001459462284 1064104711 /nfs/dbraw/zinc/10/47/11/1064104711.db2.gz BBCYFXWXXCEKIR-JOCHJYFZSA-N 1 1 379.460 3.538 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001459462284 1064104719 /nfs/dbraw/zinc/10/47/19/1064104719.db2.gz BBCYFXWXXCEKIR-JOCHJYFZSA-N 1 1 379.460 3.538 20 5 GHBDMO CC(C)(C)C[N@@H+](CCCO)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001459470265 1064107304 /nfs/dbraw/zinc/10/73/04/1064107304.db2.gz SJSPTWMWXFUOSO-UHFFFAOYSA-N 1 1 382.848 3.529 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001459658000 1064156549 /nfs/dbraw/zinc/15/65/49/1064156549.db2.gz WOTGMYJUGWJFFU-QGZVFWFLSA-N 1 1 382.464 3.654 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3(O)CCC(c4ccccc4)CC3)C2)nc1 ZINC001459700493 1064176176 /nfs/dbraw/zinc/17/61/76/1064176176.db2.gz OYNOJUQNLGBZII-GSVIPDFHSA-N 1 1 396.491 3.565 20 5 GHBDMO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001459915285 1064268800 /nfs/dbraw/zinc/26/88/00/1064268800.db2.gz DYZMQGZKBVMFFG-PKOBYXMFSA-N 1 1 396.491 3.518 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464091983 1064815428 /nfs/dbraw/zinc/81/54/28/1064815428.db2.gz BWBFZYVHDOZONI-LEWJYISDSA-N 1 1 395.503 3.944 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC001473279804 1067133925 /nfs/dbraw/zinc/13/39/25/1067133925.db2.gz GAUZDPTXYFRGHU-INIZCTEOSA-N 1 1 375.469 3.977 20 5 GHBDMO CC[C@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001467682266 1067416824 /nfs/dbraw/zinc/41/68/24/1067416824.db2.gz KWDZWWQMJVVTLX-IBGZPJMESA-N 1 1 376.501 4.000 20 5 GHBDMO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001358470429 1067536648 /nfs/dbraw/zinc/53/66/48/1067536648.db2.gz LFNMJQUQMCIMAR-IBGZPJMESA-N 1 1 396.491 3.520 20 5 GHBDMO COCC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CC[C@H](C)C1 ZINC001473436661 1067557629 /nfs/dbraw/zinc/55/76/29/1067557629.db2.gz VLETZYMMKOYBSL-JSGCOSHPSA-N 1 1 394.859 3.935 20 5 GHBDMO C[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001468275952 1067664478 /nfs/dbraw/zinc/66/44/78/1067664478.db2.gz LOFKOEGZALYVBP-ZIFCJYIRSA-N 1 1 396.491 3.833 20 5 GHBDMO C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC001468990338 1067946101 /nfs/dbraw/zinc/94/61/01/1067946101.db2.gz PTFICWLZUVYNRQ-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001468990338 1067946107 /nfs/dbraw/zinc/94/61/07/1067946107.db2.gz PTFICWLZUVYNRQ-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001460299081 1068913045 /nfs/dbraw/zinc/91/30/45/1068913045.db2.gz RHKIZIPENAERAG-QAPCUYQASA-N 1 1 380.510 3.517 20 5 GHBDMO CCOCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC001460619916 1069035948 /nfs/dbraw/zinc/03/59/48/1069035948.db2.gz VEIRZNRRTFTFEV-NRFANRHFSA-N 1 1 397.475 3.949 20 5 GHBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cscc1Br ZINC001460717258 1069115995 /nfs/dbraw/zinc/11/59/95/1069115995.db2.gz QXVZNKNMJKDOBZ-UHFFFAOYSA-N 1 1 398.282 3.879 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cscc1Br ZINC001460717258 1069116000 /nfs/dbraw/zinc/11/60/00/1069116000.db2.gz QXVZNKNMJKDOBZ-UHFFFAOYSA-N 1 1 398.282 3.879 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC001460797048 1069185478 /nfs/dbraw/zinc/18/54/78/1069185478.db2.gz WMJKYZYTDPHCTC-OAHLLOKOSA-N 1 1 388.493 3.561 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC001460797048 1069185483 /nfs/dbraw/zinc/18/54/83/1069185483.db2.gz WMJKYZYTDPHCTC-OAHLLOKOSA-N 1 1 388.493 3.561 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001471029013 1072892252 /nfs/dbraw/zinc/89/22/52/1072892252.db2.gz WPHRCJFYMGVHLA-WBVHZDCISA-N 1 1 392.459 3.574 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N(C)C[C@H]3CCC[N@H+]3C)c([N+](=O)[O-])c2)cc1 ZINC001472812133 1073676608 /nfs/dbraw/zinc/67/66/08/1073676608.db2.gz ZGSPLRHYFYWTIX-GOSISDBHSA-N 1 1 382.464 3.686 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCO[C@H](CNc3nccc4c3cccc4[N+](=O)[O-])C2)cc1 ZINC001472855431 1073695344 /nfs/dbraw/zinc/69/53/44/1073695344.db2.gz FTMJYAJQOMFVOV-GOSISDBHSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1ccc(C[N@H+]2CCO[C@H](CNc3nccc4c3cccc4[N+](=O)[O-])C2)cc1 ZINC001472855431 1073695352 /nfs/dbraw/zinc/69/53/52/1073695352.db2.gz FTMJYAJQOMFVOV-GOSISDBHSA-N 1 1 392.459 3.764 20 5 GHBDMO Cc1cc(NC[C@H]2CC[N@H+]2C2CCCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472857300 1073697291 /nfs/dbraw/zinc/69/72/91/1073697291.db2.gz DIZRVTBKXDYXQW-HXUWFJFHSA-N 1 1 395.507 3.991 20 5 GHBDMO C[C@H](C1CC1)[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC001473132613 1073797698 /nfs/dbraw/zinc/79/76/98/1073797698.db2.gz CRNWKTARFJJTPR-SNVBAGLBSA-N 1 1 386.233 3.962 20 5 GHBDMO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473197785 1073849178 /nfs/dbraw/zinc/84/91/78/1073849178.db2.gz BHEUSHHOXACAHF-VBKZILBWSA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473197785 1073849189 /nfs/dbraw/zinc/84/91/89/1073849189.db2.gz BHEUSHHOXACAHF-VBKZILBWSA-N 1 1 383.423 3.706 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC001473449682 1073968115 /nfs/dbraw/zinc/96/81/15/1073968115.db2.gz RPPWQAOEKZXRRU-QGZVFWFLSA-N 1 1 391.468 3.580 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC001473449682 1073968119 /nfs/dbraw/zinc/96/81/19/1073968119.db2.gz RPPWQAOEKZXRRU-QGZVFWFLSA-N 1 1 391.468 3.580 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC001473576403 1074024855 /nfs/dbraw/zinc/02/48/55/1074024855.db2.gz BWSQRTMMDFEIOQ-UHFFFAOYSA-N 1 1 383.286 3.996 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001473840973 1074169359 /nfs/dbraw/zinc/16/93/59/1074169359.db2.gz AWTOYEZHROMWNU-QFIPXVFZSA-N 1 1 393.443 3.864 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001473840972 1074169569 /nfs/dbraw/zinc/16/95/69/1074169569.db2.gz AWTOYEZHROMWNU-JOCHJYFZSA-N 1 1 393.443 3.864 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001473849775 1074174381 /nfs/dbraw/zinc/17/43/81/1074174381.db2.gz KBXYBICMSCNGLR-HOCLYGCPSA-N 1 1 377.485 3.886 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897347 1074195170 /nfs/dbraw/zinc/19/51/70/1074195170.db2.gz JVINFTODRZHHSS-CVEARBPZSA-N 1 1 399.495 3.753 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C(=O)N[C@@H](C)CC)cc1 ZINC001473933560 1074209688 /nfs/dbraw/zinc/20/96/88/1074209688.db2.gz KMBGUNQFNBJFMW-HNNXBMFYSA-N 1 1 385.464 3.812 20 5 GHBDMO CCC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CC1CCCCC1 ZINC001474366194 1074365889 /nfs/dbraw/zinc/36/58/89/1074365889.db2.gz LFHXHNWNCHZHIA-UHFFFAOYSA-N 1 1 378.469 3.939 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc3cc([N+](=O)[O-])ccc31)[C@@H]2C ZINC001164863205 721021070 /nfs/dbraw/zinc/02/10/70/721021070.db2.gz UKDJNHLATHAJMW-OAHLLOKOSA-N 1 1 394.479 3.761 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000580606861 837386087 /nfs/dbraw/zinc/38/60/87/837386087.db2.gz MKQJJHUGORXLOI-NRFANRHFSA-N 1 1 395.503 3.946 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CC1 ZINC000580899099 837423539 /nfs/dbraw/zinc/42/35/39/837423539.db2.gz WXNYEDSHUMXTPG-UHFFFAOYSA-N 1 1 398.511 3.745 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000613234439 837437448 /nfs/dbraw/zinc/43/74/48/837437448.db2.gz YEMMAILOZHZFMC-UNMCSNQZSA-N 1 1 395.503 3.896 20 5 GHBDMO C[C@H](c1ccco1)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581160275 837469557 /nfs/dbraw/zinc/46/95/57/837469557.db2.gz GTXAANQZNRZSEX-SNVBAGLBSA-N 1 1 386.189 3.985 20 5 GHBDMO C[C@H](c1ccco1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581160275 837469558 /nfs/dbraw/zinc/46/95/58/837469558.db2.gz GTXAANQZNRZSEX-SNVBAGLBSA-N 1 1 386.189 3.985 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431779803 837474628 /nfs/dbraw/zinc/47/46/28/837474628.db2.gz VMOYAOBVRPPAME-ZDUSSCGKSA-N 1 1 398.301 3.742 20 5 GHBDMO Cc1cc(N2CCC(Nc3ccc4ncccc4c3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000176951740 837816441 /nfs/dbraw/zinc/81/64/41/837816441.db2.gz JPAUIKIJOROURH-UHFFFAOYSA-N 1 1 378.436 3.631 20 5 GHBDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000472324970 834872100 /nfs/dbraw/zinc/87/21/00/834872100.db2.gz XDBBPNBQMBSLJB-WMZOPIPTSA-N 1 1 395.459 3.846 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](OCCCc4ccccc4)C3)nc2c1 ZINC000177213483 837826157 /nfs/dbraw/zinc/82/61/57/837826157.db2.gz NWPMBVABDUHLCS-GOSISDBHSA-N 1 1 381.432 3.960 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](OCCCc4ccccc4)C3)nc2c1 ZINC000177213483 837826169 /nfs/dbraw/zinc/82/61/69/837826169.db2.gz NWPMBVABDUHLCS-GOSISDBHSA-N 1 1 381.432 3.960 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000430204836 835073468 /nfs/dbraw/zinc/07/34/68/835073468.db2.gz LTUAFJCBXNXQIQ-CQSZACIVSA-N 1 1 384.358 3.656 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000430204836 835073480 /nfs/dbraw/zinc/07/34/80/835073480.db2.gz LTUAFJCBXNXQIQ-CQSZACIVSA-N 1 1 384.358 3.656 20 5 GHBDMO COc1cc(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000480580476 835114021 /nfs/dbraw/zinc/11/40/21/835114021.db2.gz QOVYDZFUGPKJAT-SJLPKXTDSA-N 1 1 397.475 3.552 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000512950337 844021127 /nfs/dbraw/zinc/02/11/27/844021127.db2.gz ZMZDKTJCIAYKSI-SFHVURJKSA-N 1 1 375.856 3.552 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3Cc3cccc(F)c3)n2)c1 ZINC000052012075 844034907 /nfs/dbraw/zinc/03/49/07/844034907.db2.gz ZOMXXVLSGIXPRX-QGZVFWFLSA-N 1 1 382.395 3.991 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000430230626 835271598 /nfs/dbraw/zinc/27/15/98/835271598.db2.gz AGSYUAUVMSHJKL-LJQANCHMSA-N 1 1 398.463 3.780 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000430230626 835271607 /nfs/dbraw/zinc/27/16/07/835271607.db2.gz AGSYUAUVMSHJKL-LJQANCHMSA-N 1 1 398.463 3.780 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000157742018 835842405 /nfs/dbraw/zinc/84/24/05/835842405.db2.gz NIKLLUIBZJNTJT-OAHLLOKOSA-N 1 1 377.460 3.851 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000065826890 835983467 /nfs/dbraw/zinc/98/34/67/835983467.db2.gz XLBLBZFDEVORQJ-GDBMZVCRSA-N 1 1 378.432 3.641 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364762194 836048871 /nfs/dbraw/zinc/04/88/71/836048871.db2.gz NSJNYBBUDSFOQD-ZFWWWQNUSA-N 1 1 388.855 3.535 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364762194 836048882 /nfs/dbraw/zinc/04/88/82/836048882.db2.gz NSJNYBBUDSFOQD-ZFWWWQNUSA-N 1 1 388.855 3.535 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1Br ZINC001167101335 836078142 /nfs/dbraw/zinc/07/81/42/836078142.db2.gz VJTAZPUWZNAOCL-LBPRGKRZSA-N 1 1 377.242 3.527 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1Br ZINC001167101335 836078154 /nfs/dbraw/zinc/07/81/54/836078154.db2.gz VJTAZPUWZNAOCL-LBPRGKRZSA-N 1 1 377.242 3.527 20 5 GHBDMO CC(C)Oc1cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411440126 836164344 /nfs/dbraw/zinc/16/43/44/836164344.db2.gz NRVWNAADNQFVRH-INIZCTEOSA-N 1 1 377.485 3.766 20 5 GHBDMO CC(C)Oc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000411445508 836167650 /nfs/dbraw/zinc/16/76/50/836167650.db2.gz ULYVZNZBWPMYGS-MRXNPFEDSA-N 1 1 377.485 3.624 20 5 GHBDMO CCN(C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000548929296 836196585 /nfs/dbraw/zinc/19/65/85/836196585.db2.gz PDEZZARJKGJBRM-UHFFFAOYSA-N 1 1 398.488 3.732 20 5 GHBDMO CCN(C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000548929296 836196589 /nfs/dbraw/zinc/19/65/89/836196589.db2.gz PDEZZARJKGJBRM-UHFFFAOYSA-N 1 1 398.488 3.732 20 5 GHBDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000053097732 836197484 /nfs/dbraw/zinc/19/74/84/836197484.db2.gz JDYFQGNGPBUPGV-HNNXBMFYSA-N 1 1 383.448 3.843 20 5 GHBDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179953368 836464144 /nfs/dbraw/zinc/46/41/44/836464144.db2.gz CUMSQRLZSADKCF-JTQLQIEISA-N 1 1 381.791 3.685 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411998667 836488451 /nfs/dbraw/zinc/48/84/51/836488451.db2.gz LHXFGAYNYUSMKR-UZLBHIALSA-N 1 1 395.459 3.776 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411998667 836488457 /nfs/dbraw/zinc/48/84/57/836488457.db2.gz LHXFGAYNYUSMKR-UZLBHIALSA-N 1 1 395.459 3.776 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510191742 836702251 /nfs/dbraw/zinc/70/22/51/836702251.db2.gz JAUUPZCNPTYSQT-IEBWSBKVSA-N 1 1 381.476 3.934 20 5 GHBDMO Cc1cccc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000510190539 836711375 /nfs/dbraw/zinc/71/13/75/836711375.db2.gz FTSIKUOHNBDRNP-MJGOQNOKSA-N 1 1 381.476 3.934 20 5 GHBDMO COc1ccc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000467172817 836905486 /nfs/dbraw/zinc/90/54/86/836905486.db2.gz YKXHYGAXZYSRBT-HNNXBMFYSA-N 1 1 383.448 3.810 20 5 GHBDMO CC(C)C[NH+]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275398985 836979375 /nfs/dbraw/zinc/97/93/75/836979375.db2.gz BBBQSZOOOYWGHZ-UHFFFAOYSA-N 1 1 399.441 3.786 20 5 GHBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275441803 837050981 /nfs/dbraw/zinc/05/09/81/837050981.db2.gz HNXQSSLARDZXFJ-UHFFFAOYSA-N 1 1 385.414 3.538 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000247216027 837306082 /nfs/dbraw/zinc/30/60/82/837306082.db2.gz CJZBBIIKXFOFEU-GUYCJALGSA-N 1 1 388.493 3.521 20 5 GHBDMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000180553455 837366525 /nfs/dbraw/zinc/36/65/25/837366525.db2.gz KWJLEZUHIDOVTP-CQSZACIVSA-N 1 1 385.317 3.956 20 5 GHBDMO O=C(C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)NCCc1ccccc1 ZINC000181103338 837838281 /nfs/dbraw/zinc/83/82/81/837838281.db2.gz FFNUWFFIFMHGDE-QHCPKHFHSA-N 1 1 389.455 3.633 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837731 837920759 /nfs/dbraw/zinc/92/07/59/837920759.db2.gz WUJLEKNJILTRCW-AWEZNQCLSA-N 1 1 393.447 3.678 20 5 GHBDMO COc1cc(C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)ccc1O ZINC000102176149 838073558 /nfs/dbraw/zinc/07/35/58/838073558.db2.gz DSMIQXGFUTVONT-UHFFFAOYSA-N 1 1 399.447 3.611 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189324605 838253917 /nfs/dbraw/zinc/25/39/17/838253917.db2.gz KWPBEQUFWYJKMM-UHFFFAOYSA-N 1 1 383.448 3.596 20 5 GHBDMO Cc1c(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000103232857 838369507 /nfs/dbraw/zinc/36/95/07/838369507.db2.gz YSPKYHGCCOSEIG-GOSISDBHSA-N 1 1 382.464 3.589 20 5 GHBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000187992263 838463532 /nfs/dbraw/zinc/46/35/32/838463532.db2.gz ZSGADDUCVKSBMG-OAQYLSRUSA-N 1 1 394.475 3.685 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H]1c1ccc(Cl)cc1 ZINC000535708103 844338342 /nfs/dbraw/zinc/33/83/42/844338342.db2.gz MAXNPLAAIFRRTA-QFBILLFUSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H]1c1ccc(Cl)cc1 ZINC000535708103 844338354 /nfs/dbraw/zinc/33/83/54/844338354.db2.gz MAXNPLAAIFRRTA-QFBILLFUSA-N 1 1 398.850 3.905 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(F)c1 ZINC000104060547 838612278 /nfs/dbraw/zinc/61/22/78/838612278.db2.gz OPARRFQRTDPMBC-MRXNPFEDSA-N 1 1 386.427 3.768 20 5 GHBDMO COc1cccc(C2(C[NH2+][C@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000290695571 838653172 /nfs/dbraw/zinc/65/31/72/838653172.db2.gz MYFJBTJVDKMUQD-FQEVSTJZSA-N 1 1 392.459 3.748 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000535727695 844352394 /nfs/dbraw/zinc/35/23/94/844352394.db2.gz WGUJSNPNCVLXIG-OAHLLOKOSA-N 1 1 379.526 3.803 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C2)nc1 ZINC000118866477 838735347 /nfs/dbraw/zinc/73/53/47/838735347.db2.gz WLKHPRRQSAVSLL-AWEZNQCLSA-N 1 1 396.369 3.617 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(Br)s3)C2)nc1 ZINC000118866651 838736612 /nfs/dbraw/zinc/73/66/12/838736612.db2.gz WQSWJOHMCOIIID-SNVBAGLBSA-N 1 1 383.271 3.500 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(Br)s3)C2)nc1 ZINC000118866651 838736616 /nfs/dbraw/zinc/73/66/16/838736616.db2.gz WQSWJOHMCOIIID-SNVBAGLBSA-N 1 1 383.271 3.500 20 5 GHBDMO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000560909035 838852363 /nfs/dbraw/zinc/85/23/63/838852363.db2.gz UYFSJLIESBLUGQ-CYBMUJFWSA-N 1 1 397.522 3.538 20 5 GHBDMO COc1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414858101 838897917 /nfs/dbraw/zinc/89/79/17/838897917.db2.gz QUBRFRSSCZBSGM-LPHOPBHVSA-N 1 1 399.491 3.660 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c1[N+](=O)[O-] ZINC000894025028 844405231 /nfs/dbraw/zinc/40/52/31/844405231.db2.gz YEBLQMVMRFXDFT-UHFFFAOYSA-N 1 1 390.411 3.629 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000275852226 839346746 /nfs/dbraw/zinc/34/67/46/839346746.db2.gz IBHIZTIHXRCXGU-HNNXBMFYSA-N 1 1 377.828 3.717 20 5 GHBDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134222651 839436066 /nfs/dbraw/zinc/43/60/66/839436066.db2.gz VIYBYEOITOMBQC-KPZWWZAWSA-N 1 1 389.839 3.511 20 5 GHBDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134222651 839436071 /nfs/dbraw/zinc/43/60/71/839436071.db2.gz VIYBYEOITOMBQC-KPZWWZAWSA-N 1 1 389.839 3.511 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000561105861 839513768 /nfs/dbraw/zinc/51/37/68/839513768.db2.gz FLICVFPJLZSDGR-UHFFFAOYSA-N 1 1 394.431 3.589 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC[C@@H]21 ZINC000275907129 839769286 /nfs/dbraw/zinc/76/92/86/839769286.db2.gz CVXJXLIDENHNRN-IERDGZPVSA-N 1 1 375.472 3.650 20 5 GHBDMO COc1cccc(-c2csc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)n2)c1 ZINC000894079725 844482358 /nfs/dbraw/zinc/48/23/58/844482358.db2.gz RRKKVZIYUAIRDT-UHFFFAOYSA-N 1 1 399.476 3.761 20 5 GHBDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000047127985 840215951 /nfs/dbraw/zinc/21/59/51/840215951.db2.gz SKMXNERNQALUOI-HZPDHXFCSA-N 1 1 398.463 3.526 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000511759576 840649030 /nfs/dbraw/zinc/64/90/30/840649030.db2.gz ZGLIZWVYLOKDJM-FQEVSTJZSA-N 1 1 399.466 3.693 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584867200 841131007 /nfs/dbraw/zinc/13/10/07/841131007.db2.gz ACZJNWUITZDNAV-RBUKOAKNSA-N 1 1 394.475 3.889 20 5 GHBDMO CON1CCC([N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000453621533 844614445 /nfs/dbraw/zinc/61/44/45/844614445.db2.gz NJFXZNSBPRLYCW-UHFFFAOYSA-N 1 1 379.844 3.966 20 5 GHBDMO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000053370806 841211852 /nfs/dbraw/zinc/21/18/52/841211852.db2.gz GXODSGXSMKNKHZ-GOSISDBHSA-N 1 1 389.839 3.650 20 5 GHBDMO O=C(CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000053370806 841211868 /nfs/dbraw/zinc/21/18/68/841211868.db2.gz GXODSGXSMKNKHZ-GOSISDBHSA-N 1 1 389.839 3.650 20 5 GHBDMO O=[N+]([O-])c1cnc(NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)nc1 ZINC000302157319 861221583 /nfs/dbraw/zinc/22/15/83/861221583.db2.gz NIQSHZDJSOYRPG-QGZVFWFLSA-N 1 1 381.461 3.658 20 5 GHBDMO O=[N+]([O-])c1cnc(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)nc1 ZINC000302157319 861221598 /nfs/dbraw/zinc/22/15/98/861221598.db2.gz NIQSHZDJSOYRPG-QGZVFWFLSA-N 1 1 381.461 3.658 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000302167903 861226199 /nfs/dbraw/zinc/22/61/99/861226199.db2.gz SIXALJSYTPEMMX-XJKSGUPXSA-N 1 1 395.385 3.899 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000510433657 841720877 /nfs/dbraw/zinc/72/08/77/841720877.db2.gz GBFWIAKRGRVERT-DOTOQJQBSA-N 1 1 393.447 3.527 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000510433657 841720886 /nfs/dbraw/zinc/72/08/86/841720886.db2.gz GBFWIAKRGRVERT-DOTOQJQBSA-N 1 1 393.447 3.527 20 5 GHBDMO COc1ccc(C[N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1OC(F)F ZINC000025482117 841800411 /nfs/dbraw/zinc/80/04/11/841800411.db2.gz NWOVKAFFWXZWPD-UHFFFAOYSA-N 1 1 392.362 3.644 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1OC(F)F ZINC000025482117 841800421 /nfs/dbraw/zinc/80/04/21/841800421.db2.gz NWOVKAFFWXZWPD-UHFFFAOYSA-N 1 1 392.362 3.644 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)c2C1 ZINC001143528037 841983207 /nfs/dbraw/zinc/98/32/07/841983207.db2.gz BPLHBJVWWCYHSY-UHFFFAOYSA-N 1 1 392.818 3.947 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)c2C1 ZINC001143528037 841983220 /nfs/dbraw/zinc/98/32/20/841983220.db2.gz BPLHBJVWWCYHSY-UHFFFAOYSA-N 1 1 392.818 3.947 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000247383386 842449187 /nfs/dbraw/zinc/44/91/87/842449187.db2.gz FTOGLCBTHWTFGE-QAPCUYQASA-N 1 1 388.493 3.539 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Cl)c1 ZINC000182053057 842509023 /nfs/dbraw/zinc/50/90/23/842509023.db2.gz DGASOEPAIDSGBJ-HNNXBMFYSA-N 1 1 389.887 3.946 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Cl)c1 ZINC000182053057 842509030 /nfs/dbraw/zinc/50/90/30/842509030.db2.gz DGASOEPAIDSGBJ-HNNXBMFYSA-N 1 1 389.887 3.946 20 5 GHBDMO Cc1sc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000121514246 842529241 /nfs/dbraw/zinc/52/92/41/842529241.db2.gz XVDJARFORLJNNN-BETUJISGSA-N 1 1 389.477 3.826 20 5 GHBDMO Cc1sc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000121514246 842529246 /nfs/dbraw/zinc/52/92/46/842529246.db2.gz XVDJARFORLJNNN-BETUJISGSA-N 1 1 389.477 3.826 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093820790 842749875 /nfs/dbraw/zinc/74/98/75/842749875.db2.gz WUYYVDHMOPERPH-JOCHJYFZSA-N 1 1 398.459 3.795 20 5 GHBDMO O=[N+]([O-])c1c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc2ncccc21 ZINC000302774179 861358917 /nfs/dbraw/zinc/35/89/17/861358917.db2.gz DMTADXBXYVYGPA-GOSISDBHSA-N 1 1 392.459 3.846 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCOCC2)cc1 ZINC000510555567 842959225 /nfs/dbraw/zinc/95/92/25/842959225.db2.gz VJDZYKIJROCLJH-UHFFFAOYSA-N 1 1 378.432 3.670 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000430785415 842971036 /nfs/dbraw/zinc/97/10/36/842971036.db2.gz VNGKMKCJCPJZII-OAHLLOKOSA-N 1 1 394.431 3.654 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000603909256 861376789 /nfs/dbraw/zinc/37/67/89/861376789.db2.gz OCPULBVUVOWWGF-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000603909256 861376801 /nfs/dbraw/zinc/37/68/01/861376801.db2.gz OCPULBVUVOWWGF-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO Cc1[nH+]ccn1C[C@H]1CCCN1c1cc(C)c([N+](=O)[O-])cc1Br ZINC000302840127 861382665 /nfs/dbraw/zinc/38/26/65/861382665.db2.gz ZZWSQVOAZOAYQM-CYBMUJFWSA-N 1 1 379.258 3.840 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490613437 861387461 /nfs/dbraw/zinc/38/74/61/861387461.db2.gz JTMWGYIFRTXUDI-CYBMUJFWSA-N 1 1 390.452 3.965 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237349 843180674 /nfs/dbraw/zinc/18/06/74/843180674.db2.gz PTCFMITYEXHUFA-JOCHJYFZSA-N 1 1 381.476 3.572 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(CC)CC ZINC001167818802 843666573 /nfs/dbraw/zinc/66/65/73/843666573.db2.gz JMJKNDNWQNPCFW-MSOLQXFVSA-N 1 1 395.475 3.978 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1F ZINC000429895120 843849254 /nfs/dbraw/zinc/84/92/54/843849254.db2.gz HWYQYKAFCUNVJH-UHFFFAOYSA-N 1 1 396.422 3.822 20 5 GHBDMO CC1(C)C[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279596 843950475 /nfs/dbraw/zinc/95/04/75/843950475.db2.gz UDIGWINWRYTRDQ-JTHBVZDNSA-N 1 1 395.503 3.544 20 5 GHBDMO CC1(C)C[C@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279596 843950479 /nfs/dbraw/zinc/95/04/79/843950479.db2.gz UDIGWINWRYTRDQ-JTHBVZDNSA-N 1 1 395.503 3.544 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000176215926 844866450 /nfs/dbraw/zinc/86/64/50/844866450.db2.gz QKVSUAOWLYWQTA-ZDUSSCGKSA-N 1 1 388.493 3.841 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000176215926 844866453 /nfs/dbraw/zinc/86/64/53/844866453.db2.gz QKVSUAOWLYWQTA-ZDUSSCGKSA-N 1 1 388.493 3.841 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000411125327 844962531 /nfs/dbraw/zinc/96/25/31/844962531.db2.gz KEPOVKAIWGUBKV-CYBMUJFWSA-N 1 1 375.400 3.764 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429849061 845126578 /nfs/dbraw/zinc/12/65/78/845126578.db2.gz RLZXZKMEIYAXIM-CALCHBBNSA-N 1 1 375.513 3.747 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433076025 845188213 /nfs/dbraw/zinc/18/82/13/845188213.db2.gz MACBRGHRMKPDQQ-KRWDZBQOSA-N 1 1 383.448 3.812 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000513392807 845346672 /nfs/dbraw/zinc/34/66/72/845346672.db2.gz YCMDTAACORIOFV-WMZOPIPTSA-N 1 1 390.867 3.695 20 5 GHBDMO Cc1cc(N2CCC[C@@H](OC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)nc(C)[nH+]1 ZINC000731297719 861561655 /nfs/dbraw/zinc/56/16/55/861561655.db2.gz ZNXXEDHBOUNZRN-MRXNPFEDSA-N 1 1 396.403 3.574 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000182825769 845556861 /nfs/dbraw/zinc/55/68/61/845556861.db2.gz LEKHEIQGGLWQOO-KRWDZBQOSA-N 1 1 399.466 3.880 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000182825769 845556871 /nfs/dbraw/zinc/55/68/71/845556871.db2.gz LEKHEIQGGLWQOO-KRWDZBQOSA-N 1 1 399.466 3.880 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000582015323 845801747 /nfs/dbraw/zinc/80/17/47/845801747.db2.gz LMJQLUUZPMBUNH-UZLBHIALSA-N 1 1 397.475 3.634 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2C1 ZINC000131720200 861615719 /nfs/dbraw/zinc/61/57/19/861615719.db2.gz UQWJDTSPOBQEQN-UHFFFAOYSA-N 1 1 391.431 3.758 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2C1 ZINC000131720200 861615725 /nfs/dbraw/zinc/61/57/25/861615725.db2.gz UQWJDTSPOBQEQN-UHFFFAOYSA-N 1 1 391.431 3.758 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000119679807 845833158 /nfs/dbraw/zinc/83/31/58/845833158.db2.gz NXYRWANNSYPDJL-UHFFFAOYSA-N 1 1 396.491 3.921 20 5 GHBDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000421390605 846206088 /nfs/dbraw/zinc/20/60/88/846206088.db2.gz OGFQFIBRGHGRLN-MRXNPFEDSA-N 1 1 389.839 3.751 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000511072281 846299045 /nfs/dbraw/zinc/29/90/45/846299045.db2.gz DNDDMPBTXMWZBE-UHFFFAOYSA-N 1 1 393.443 3.792 20 5 GHBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000255021384 846341437 /nfs/dbraw/zinc/34/14/37/846341437.db2.gz WPQNFLGVQZJHHY-ZETNRXDVSA-N 1 1 380.448 3.662 20 5 GHBDMO CC[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000582099379 846353593 /nfs/dbraw/zinc/35/35/93/846353593.db2.gz GBLLLNMGNCHDCV-UZLBHIALSA-N 1 1 381.476 3.651 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000158021918 846363507 /nfs/dbraw/zinc/36/35/07/846363507.db2.gz OJPLHVJHEXSDNM-OAHLLOKOSA-N 1 1 380.404 3.643 20 5 GHBDMO Cc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000280698649 846494697 /nfs/dbraw/zinc/49/46/97/846494697.db2.gz HMFBUTDQSXFYGN-ZWNOBZJWSA-N 1 1 399.289 3.612 20 5 GHBDMO Cc1cccc(N2CCC(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000187743149 847085262 /nfs/dbraw/zinc/08/52/62/847085262.db2.gz NMEPMWAEVBPTSP-UHFFFAOYSA-N 1 1 382.464 3.820 20 5 GHBDMO C[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000582460804 847309491 /nfs/dbraw/zinc/30/94/91/847309491.db2.gz HQQQHTXTPGJFEB-UTKZUKDTSA-N 1 1 381.476 3.821 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000511138596 847400172 /nfs/dbraw/zinc/40/01/72/847400172.db2.gz OFWNWQIBLWFELT-OAHLLOKOSA-N 1 1 399.274 3.816 20 5 GHBDMO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000179803649 861788247 /nfs/dbraw/zinc/78/82/47/861788247.db2.gz PGSQGWKQBXRVGC-HNNXBMFYSA-N 1 1 379.363 3.561 20 5 GHBDMO CCC(=O)c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000479315640 847579253 /nfs/dbraw/zinc/57/92/53/847579253.db2.gz JPROBQDGJZVUNC-IBGZPJMESA-N 1 1 397.475 3.891 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303678453 861833542 /nfs/dbraw/zinc/83/35/42/861833542.db2.gz YKDLFVGXZMMTJY-FGTMMUONSA-N 1 1 388.512 3.508 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CCO)C2)cc1OC ZINC000611660874 847830561 /nfs/dbraw/zinc/83/05/61/847830561.db2.gz QRTBPJFNXSFXDH-HOTGVXAUSA-N 1 1 380.485 3.623 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000162678684 861886039 /nfs/dbraw/zinc/88/60/39/861886039.db2.gz YRSSPHUVBFIEGF-KDOFPFPSSA-N 1 1 389.521 3.796 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612131470 848495467 /nfs/dbraw/zinc/49/54/67/848495467.db2.gz BZYITHRKUQTSPO-CEMLEFRQSA-N 1 1 393.487 3.554 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000132132621 861917009 /nfs/dbraw/zinc/91/70/09/861917009.db2.gz MKOLTAMDJQEMKO-AEFFLSMTSA-N 1 1 397.475 3.729 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1F ZINC000061284843 848641640 /nfs/dbraw/zinc/64/16/40/848641640.db2.gz ZPLHQXPUHLMYAT-UHFFFAOYSA-N 1 1 375.425 3.535 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000178730201 848774195 /nfs/dbraw/zinc/77/41/95/848774195.db2.gz ZHBOLJXSVZDFBT-IBGZPJMESA-N 1 1 390.528 3.883 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000486828522 850150329 /nfs/dbraw/zinc/15/03/29/850150329.db2.gz SVTYYAPFNUUMRP-OAHLLOKOSA-N 1 1 397.500 3.960 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000732206623 862129829 /nfs/dbraw/zinc/12/98/29/862129829.db2.gz IEGBQOIUAREFCZ-CQSZACIVSA-N 1 1 381.473 3.727 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000732206623 862129838 /nfs/dbraw/zinc/12/98/38/862129838.db2.gz IEGBQOIUAREFCZ-CQSZACIVSA-N 1 1 381.473 3.727 20 5 GHBDMO C[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000519013703 850491419 /nfs/dbraw/zinc/49/14/19/850491419.db2.gz XRYUEZWFRLRGGS-MRXNPFEDSA-N 1 1 396.491 3.792 20 5 GHBDMO COc1cc(CN(C)[C@@H]2CCC[NH2+]CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435430915 850514644 /nfs/dbraw/zinc/51/46/44/850514644.db2.gz FXQJDFZEJNULJB-LJQANCHMSA-N 1 1 399.491 3.756 20 5 GHBDMO COc1cc(C[N@H+](C)CCOc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000506754164 850772238 /nfs/dbraw/zinc/77/22/38/850772238.db2.gz XMBFQPFZGHUSQD-UHFFFAOYSA-N 1 1 380.828 3.776 20 5 GHBDMO COc1cc(C[N@@H+](C)CCOc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000506754164 850772243 /nfs/dbraw/zinc/77/22/43/850772243.db2.gz XMBFQPFZGHUSQD-UHFFFAOYSA-N 1 1 380.828 3.776 20 5 GHBDMO COc1cccc(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000435931672 851006556 /nfs/dbraw/zinc/00/65/56/851006556.db2.gz YLOBIHDBRXRVPM-WMZOPIPTSA-N 1 1 397.475 3.634 20 5 GHBDMO O=C1[C@H]([NH+]2CCC(F)(c3ccccc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000434493316 851179993 /nfs/dbraw/zinc/17/99/93/851179993.db2.gz LOHFSNCXPVYZEP-LJQANCHMSA-N 1 1 383.423 3.661 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000514092404 851232695 /nfs/dbraw/zinc/23/26/95/851232695.db2.gz FFMWMKASBYEVLB-LVCYWYKZSA-N 1 1 399.539 3.765 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)C1 ZINC000132761892 862252854 /nfs/dbraw/zinc/25/28/54/862252854.db2.gz UUFVMUGDWGCGNT-HNNXBMFYSA-N 1 1 385.439 3.896 20 5 GHBDMO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C)cc1C ZINC000604493493 862253329 /nfs/dbraw/zinc/25/33/29/862253329.db2.gz ZXWJRHCIJJCPIL-UHFFFAOYSA-N 1 1 385.464 3.607 20 5 GHBDMO COCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C)cc1C ZINC000604493493 862253348 /nfs/dbraw/zinc/25/33/48/862253348.db2.gz ZXWJRHCIJJCPIL-UHFFFAOYSA-N 1 1 385.464 3.607 20 5 GHBDMO Cc1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488747683 851748814 /nfs/dbraw/zinc/74/88/14/851748814.db2.gz ASIKRKXPMZXXLP-HNNXBMFYSA-N 1 1 381.480 3.671 20 5 GHBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@@H](C)C1 ZINC000488764988 851754061 /nfs/dbraw/zinc/75/40/61/851754061.db2.gz LZMVALYRGQAXDL-ZWOKBUDYSA-N 1 1 396.491 3.735 20 5 GHBDMO C[N@H+](Cc1cccc2ccccc21)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000517506118 852042305 /nfs/dbraw/zinc/04/23/05/852042305.db2.gz GAWDUPVOAJMWAS-HXUWFJFHSA-N 1 1 389.411 3.512 20 5 GHBDMO C[N@@H+](Cc1cccc2ccccc21)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000517506118 852042318 /nfs/dbraw/zinc/04/23/18/852042318.db2.gz GAWDUPVOAJMWAS-HXUWFJFHSA-N 1 1 389.411 3.512 20 5 GHBDMO C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000438134426 852056219 /nfs/dbraw/zinc/05/62/19/852056219.db2.gz YIMFPIXRSHALPC-MRXNPFEDSA-N 1 1 379.460 3.533 20 5 GHBDMO C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000438134426 852056229 /nfs/dbraw/zinc/05/62/29/852056229.db2.gz YIMFPIXRSHALPC-MRXNPFEDSA-N 1 1 379.460 3.533 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000489327650 852233171 /nfs/dbraw/zinc/23/31/71/852233171.db2.gz YRAVMPRYRQTAOK-IRXDYDNUSA-N 1 1 396.491 3.710 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000506211918 852281472 /nfs/dbraw/zinc/28/14/72/852281472.db2.gz VUBDMQSOEJGPLT-HNNXBMFYSA-N 1 1 379.526 3.947 20 5 GHBDMO Cc1c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000489524074 852410245 /nfs/dbraw/zinc/41/02/45/852410245.db2.gz JTEUUSIHYIIXNI-MAUKXSAKSA-N 1 1 382.464 3.935 20 5 GHBDMO C[C@@H](c1cccc(NCc2c(F)cc([N+](=O)[O-])cc2F)c1)[NH+]1CCOCC1 ZINC000506278463 852560499 /nfs/dbraw/zinc/56/04/99/852560499.db2.gz FDXHZBFFTMXTJM-ZDUSSCGKSA-N 1 1 377.391 3.878 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489766879 852594855 /nfs/dbraw/zinc/59/48/55/852594855.db2.gz CNTBNFXFPMPWQB-LBPRGKRZSA-N 1 1 398.385 3.735 20 5 GHBDMO C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000323769332 852736426 /nfs/dbraw/zinc/73/64/26/852736426.db2.gz YVHZISSTUSKTQZ-OAHLLOKOSA-N 1 1 387.867 3.842 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490085510 852762955 /nfs/dbraw/zinc/76/29/55/852762955.db2.gz WUQXQOGYAGRICU-NVXWUHKLSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490085510 852762959 /nfs/dbraw/zinc/76/29/59/852762959.db2.gz WUQXQOGYAGRICU-NVXWUHKLSA-N 1 1 383.448 3.728 20 5 GHBDMO COC1CC[NH+](C2(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)CCCC2)CC1 ZINC000516708581 852910854 /nfs/dbraw/zinc/91/08/54/852910854.db2.gz UNZBLXZOCBLLTK-OAQYLSRUSA-N 1 1 387.524 3.985 20 5 GHBDMO Cc1c(CC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000490528881 853075727 /nfs/dbraw/zinc/07/57/27/853075727.db2.gz UGYNAWGPNPMCND-QFIPXVFZSA-N 1 1 381.476 3.617 20 5 GHBDMO CC(C)([NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccccc1[N+](=O)[O-] ZINC000894853439 853084366 /nfs/dbraw/zinc/08/43/66/853084366.db2.gz XQEHCDCHDPUUCZ-UHFFFAOYSA-N 1 1 396.900 3.566 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438939611 853107455 /nfs/dbraw/zinc/10/74/55/853107455.db2.gz YZRIBYQZGJHOQD-QGZVFWFLSA-N 1 1 387.867 3.903 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000729475925 853162477 /nfs/dbraw/zinc/16/24/77/853162477.db2.gz ATWOZDOHJPUQGX-INIZCTEOSA-N 1 1 393.484 3.553 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCn1cc[nH+]c1C ZINC000506495526 853365795 /nfs/dbraw/zinc/36/57/95/853365795.db2.gz PLGXPIWSEDJWDV-UHFFFAOYSA-N 1 1 376.482 3.812 20 5 GHBDMO CCc1cc(N2CCC[N@H+](C(C)(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000519888385 853585001 /nfs/dbraw/zinc/58/50/01/853585001.db2.gz SEBVVKAERBUFMK-UHFFFAOYSA-N 1 1 383.496 3.925 20 5 GHBDMO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000437853925 853605969 /nfs/dbraw/zinc/60/59/69/853605969.db2.gz TYLRSFCIEYLCCR-RHSMWYFYSA-N 1 1 377.460 3.751 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000571611967 853959945 /nfs/dbraw/zinc/95/99/45/853959945.db2.gz GIVJOTXLSNOQRV-ZWOKBUDYSA-N 1 1 381.476 3.868 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466588173 862568910 /nfs/dbraw/zinc/56/89/10/862568910.db2.gz SVHFXUJNNZCHLD-CQSZACIVSA-N 1 1 382.892 3.702 20 5 GHBDMO C[C@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC000588854750 854552569 /nfs/dbraw/zinc/55/25/69/854552569.db2.gz LLJJFSQILRRYHC-YOEHRIQHSA-N 1 1 380.448 3.554 20 5 GHBDMO C[C@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000543538606 862579433 /nfs/dbraw/zinc/57/94/33/862579433.db2.gz KNECMAAIABRHJE-HNNXBMFYSA-N 1 1 399.466 3.791 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000301458856 854757213 /nfs/dbraw/zinc/75/72/13/854757213.db2.gz ZLRRZDPKESILDX-FZKQIMNGSA-N 1 1 388.493 3.511 20 5 GHBDMO Cc1c(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000589314906 854805623 /nfs/dbraw/zinc/80/56/23/854805623.db2.gz IZFNJKWLKJWHJX-MOPGFXCFSA-N 1 1 394.475 3.889 20 5 GHBDMO COc1cccc([C@H]2[C@H](NC(=O)c3cc(C)ccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000482021278 862615161 /nfs/dbraw/zinc/61/51/61/862615161.db2.gz SMGKLMFBVZKNGR-CTNGQTDRSA-N 1 1 395.459 3.620 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000027557463 855186177 /nfs/dbraw/zinc/18/61/77/855186177.db2.gz AEEXBNMKAZIEJY-CYBMUJFWSA-N 1 1 375.400 3.764 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000027557463 855186180 /nfs/dbraw/zinc/18/61/80/855186180.db2.gz AEEXBNMKAZIEJY-CYBMUJFWSA-N 1 1 375.400 3.764 20 5 GHBDMO O=C(C[NH+]1CCC(C2CC2)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000590006696 855223132 /nfs/dbraw/zinc/22/31/32/855223132.db2.gz OHVNZXXAEAKSOA-UHFFFAOYSA-N 1 1 386.477 3.779 20 5 GHBDMO O=[N+]([O-])c1sccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000590145584 855297163 /nfs/dbraw/zinc/29/71/63/855297163.db2.gz QLBBOZADUDKWEP-QGZVFWFLSA-N 1 1 387.505 3.997 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000553795373 855463501 /nfs/dbraw/zinc/46/35/01/855463501.db2.gz DOIYNHTXWHCUFY-LJQANCHMSA-N 1 1 377.510 3.511 20 5 GHBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000123065900 855471989 /nfs/dbraw/zinc/47/19/89/855471989.db2.gz IWJDWFDJIZXURN-GOSISDBHSA-N 1 1 390.443 3.630 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000554681044 855946257 /nfs/dbraw/zinc/94/62/57/855946257.db2.gz SZCMQBPNRCOBRZ-RTBURBONSA-N 1 1 383.496 3.611 20 5 GHBDMO C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001272892965 855991444 /nfs/dbraw/zinc/99/14/44/855991444.db2.gz UPNYGSFZGWEAOC-SJORKVTESA-N 1 1 399.466 3.818 20 5 GHBDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000485196512 856214344 /nfs/dbraw/zinc/21/43/44/856214344.db2.gz MOKXKNBEATXSAD-GXTWGEPZSA-N 1 1 391.269 4.000 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000485196512 856214354 /nfs/dbraw/zinc/21/43/54/856214354.db2.gz MOKXKNBEATXSAD-GXTWGEPZSA-N 1 1 391.269 4.000 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485229813 856235676 /nfs/dbraw/zinc/23/56/76/856235676.db2.gz LAIKJSLDZOFKGO-IXDOHACOSA-N 1 1 388.512 3.635 20 5 GHBDMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000172018114 856322127 /nfs/dbraw/zinc/32/21/27/856322127.db2.gz IOEFRKVTILNJHO-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCCC[C@@H]3O)n2)cc1 ZINC000280976525 862787308 /nfs/dbraw/zinc/78/73/08/862787308.db2.gz KYDOHSHDUHBOPE-KURKYZTESA-N 1 1 386.452 3.550 20 5 GHBDMO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)o2)cc1 ZINC000482190159 862788622 /nfs/dbraw/zinc/78/86/22/862788622.db2.gz APNKFMSMRYUYCJ-UHFFFAOYSA-N 1 1 396.399 3.940 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153844760 856421593 /nfs/dbraw/zinc/42/15/93/856421593.db2.gz QQDVLFYPTBZONN-QMTMVMCOSA-N 1 1 389.521 3.551 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000282089866 856508316 /nfs/dbraw/zinc/50/83/16/856508316.db2.gz RUVHDEBWXZASEO-UHFFFAOYSA-N 1 1 394.453 3.697 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1)CC(C)C ZINC000427692251 856551666 /nfs/dbraw/zinc/55/16/66/856551666.db2.gz AFSUPDYTPWAFKU-UHFFFAOYSA-N 1 1 391.512 3.824 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)CCc1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000592133106 856679027 /nfs/dbraw/zinc/67/90/27/856679027.db2.gz SQOKFOOOWAANLY-YPAWHYETSA-N 1 1 398.503 3.694 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000159579255 862828979 /nfs/dbraw/zinc/82/89/79/862828979.db2.gz RVOGLEKXQHWZOX-OAHLLOKOSA-N 1 1 377.510 3.701 20 5 GHBDMO COc1cc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000592181493 856762880 /nfs/dbraw/zinc/76/28/80/856762880.db2.gz FRALAJBYMHKTAJ-GFCCVEGCSA-N 1 1 386.395 3.596 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000508119116 856950959 /nfs/dbraw/zinc/95/09/59/856950959.db2.gz KMQJPEPLQOYNGF-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000508119116 856950964 /nfs/dbraw/zinc/95/09/64/856950964.db2.gz KMQJPEPLQOYNGF-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000159633796 862863565 /nfs/dbraw/zinc/86/35/65/862863565.db2.gz WUSDNTRUYURQBQ-UKRRQHHQSA-N 1 1 387.411 3.612 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2ncc(Br)cc2[N+](=O)[O-])c1 ZINC000301679469 857068284 /nfs/dbraw/zinc/06/82/84/857068284.db2.gz IXLPWUAGJVSRNB-UHFFFAOYSA-N 1 1 379.258 3.816 20 5 GHBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000173902517 857179168 /nfs/dbraw/zinc/17/91/68/857179168.db2.gz YZWVIPRSVWJALX-FQEVSTJZSA-N 1 1 383.448 3.864 20 5 GHBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301698043 857217288 /nfs/dbraw/zinc/21/72/88/857217288.db2.gz CBCMCTWVXOZTEX-RTBURBONSA-N 1 1 379.460 3.746 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3C[C@H](C)[N@H+](C)C[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000508371992 857224882 /nfs/dbraw/zinc/22/48/82/857224882.db2.gz QMDVIQAGTSBVQU-JKSUJKDBSA-N 1 1 382.464 3.684 20 5 GHBDMO CC(C)[C@H]1OCCC[C@@H]1Nc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000485951229 857242555 /nfs/dbraw/zinc/24/25/55/857242555.db2.gz HVCSKIQDDDGJJL-AZUAARDMSA-N 1 1 397.479 3.563 20 5 GHBDMO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000485975401 857286276 /nfs/dbraw/zinc/28/62/76/857286276.db2.gz IZYCZNPZJXGTPG-CXAGYDPISA-N 1 1 382.798 3.966 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000485975401 857286301 /nfs/dbraw/zinc/28/63/01/857286301.db2.gz IZYCZNPZJXGTPG-CXAGYDPISA-N 1 1 382.798 3.966 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1Cc1ccccc1 ZINC000520965646 857445976 /nfs/dbraw/zinc/44/59/76/857445976.db2.gz QAIDJKNYKKTVHH-FQEVSTJZSA-N 1 1 391.427 3.746 20 5 GHBDMO COc1ccccc1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000058934244 857778866 /nfs/dbraw/zinc/77/88/66/857778866.db2.gz CKLKZQSMJXPBRN-FQEVSTJZSA-N 1 1 386.448 3.663 20 5 GHBDMO CSc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000009852744 858013741 /nfs/dbraw/zinc/01/37/41/858013741.db2.gz ZDGAVFDXYHCHOY-UHFFFAOYSA-N 1 1 385.489 3.665 20 5 GHBDMO COc1cc(C[N@@H+](C[C@H](C)O)C2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000078515882 858072519 /nfs/dbraw/zinc/07/25/19/858072519.db2.gz WMHBZAMTRQJCJL-LBPRGKRZSA-N 1 1 388.411 3.720 20 5 GHBDMO NC(=O)CC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000159807350 863004986 /nfs/dbraw/zinc/00/49/86/863004986.db2.gz ZMDUHZXZHSAGAJ-UHFFFAOYSA-N 1 1 387.411 3.614 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)cs2)c1 ZINC000594736784 858269691 /nfs/dbraw/zinc/26/96/91/858269691.db2.gz UYLAKJWQMUIQGN-KRWDZBQOSA-N 1 1 386.521 3.930 20 5 GHBDMO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594937835 858339956 /nfs/dbraw/zinc/33/99/56/858339956.db2.gz IYVJWNUWZXVTKF-UHFFFAOYSA-N 1 1 382.264 3.656 20 5 GHBDMO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595017021 858351888 /nfs/dbraw/zinc/35/18/88/858351888.db2.gz YHXIKORAOLIZBE-LSDHHAIUSA-N 1 1 385.464 3.983 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000595018480 858352006 /nfs/dbraw/zinc/35/20/06/858352006.db2.gz BFNWZFCBFPTINZ-BLLLJJGKSA-N 1 1 389.839 3.713 20 5 GHBDMO Cc1noc(CN[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000595425697 858526857 /nfs/dbraw/zinc/52/68/57/858526857.db2.gz KIPLFKPWIDHHPE-SFHVURJKSA-N 1 1 394.422 3.875 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115552740 858566345 /nfs/dbraw/zinc/56/63/45/858566345.db2.gz XYOAFLCYAFCQLW-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO CO[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)C1CCCC1 ZINC000595560399 858568400 /nfs/dbraw/zinc/56/84/00/858568400.db2.gz BQBHNKJVOSNGFG-ZJOUEHCJSA-N 1 1 376.497 3.906 20 5 GHBDMO CNc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000046845477 858580567 /nfs/dbraw/zinc/58/05/67/858580567.db2.gz HCBKRHKSHOFECB-MRXNPFEDSA-N 1 1 396.491 3.941 20 5 GHBDMO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000059782617 858670659 /nfs/dbraw/zinc/67/06/59/858670659.db2.gz ZKWVIQAWMNZZNM-OAHLLOKOSA-N 1 1 389.477 3.622 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595790386 858689011 /nfs/dbraw/zinc/68/90/11/858689011.db2.gz PKAXVLZJHRNZJY-QFBILLFUSA-N 1 1 375.469 3.513 20 5 GHBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000137588825 858716164 /nfs/dbraw/zinc/71/61/64/858716164.db2.gz KQEVUIZIQPUOJK-CQSZACIVSA-N 1 1 377.510 3.701 20 5 GHBDMO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000059935107 858760302 /nfs/dbraw/zinc/76/03/02/858760302.db2.gz UIPSHDMKBORVLS-PXNSSMCTSA-N 1 1 397.475 3.658 20 5 GHBDMO C[N@H+]1CC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000596177277 858815041 /nfs/dbraw/zinc/81/50/41/858815041.db2.gz DGDCOBFENVRFIM-ABAIWWIYSA-N 1 1 380.807 3.593 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111305908 858817245 /nfs/dbraw/zinc/81/72/45/858817245.db2.gz JXICNHHWZDMACP-AWEZNQCLSA-N 1 1 389.839 3.685 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111305908 858817255 /nfs/dbraw/zinc/81/72/55/858817255.db2.gz JXICNHHWZDMACP-AWEZNQCLSA-N 1 1 389.839 3.685 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111305910 858818212 /nfs/dbraw/zinc/81/82/12/858818212.db2.gz JXICNHHWZDMACP-CQSZACIVSA-N 1 1 389.839 3.685 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111305910 858818219 /nfs/dbraw/zinc/81/82/19/858818219.db2.gz JXICNHHWZDMACP-CQSZACIVSA-N 1 1 389.839 3.685 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000060090378 858847167 /nfs/dbraw/zinc/84/71/67/858847167.db2.gz FETYXIDOOULEJZ-GOSISDBHSA-N 1 1 387.436 3.506 20 5 GHBDMO C[C@@H]1SCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000543202102 858852115 /nfs/dbraw/zinc/85/21/15/858852115.db2.gz ALWDDZFAANBHOJ-VPWXQRGCSA-N 1 1 388.489 3.513 20 5 GHBDMO Cc1cccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000543205936 858858309 /nfs/dbraw/zinc/85/83/09/858858309.db2.gz DWSYNUBYWXKMRS-FQEVSTJZSA-N 1 1 388.489 3.822 20 5 GHBDMO Cc1cccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000543205936 858858321 /nfs/dbraw/zinc/85/83/21/858858321.db2.gz DWSYNUBYWXKMRS-FQEVSTJZSA-N 1 1 388.489 3.822 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)F)ccc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000596424059 858892604 /nfs/dbraw/zinc/89/26/04/858892604.db2.gz PKPSADHSVRPLKS-MRXNPFEDSA-N 1 1 377.391 3.711 20 5 GHBDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)c1 ZINC000463951852 858961999 /nfs/dbraw/zinc/96/19/99/858961999.db2.gz ROZZEFPNOPGXCZ-UHFFFAOYSA-N 1 1 382.464 3.870 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)cc1OC ZINC000429299660 858971617 /nfs/dbraw/zinc/97/16/17/858971617.db2.gz ZURQDCHXSSKUEO-KKUMJFAQSA-N 1 1 380.485 3.762 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)cc1OC ZINC000429299663 858971717 /nfs/dbraw/zinc/97/17/17/858971717.db2.gz ZURQDCHXSSKUEO-PNBKFKSVSA-N 1 1 380.485 3.762 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)cc1OC ZINC000429299663 858971720 /nfs/dbraw/zinc/97/17/20/858971720.db2.gz ZURQDCHXSSKUEO-PNBKFKSVSA-N 1 1 380.485 3.762 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nc1 ZINC000482960668 859012665 /nfs/dbraw/zinc/01/26/65/859012665.db2.gz NRZFZICXLZQLDX-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nc1 ZINC000482960668 859012674 /nfs/dbraw/zinc/01/26/74/859012674.db2.gz NRZFZICXLZQLDX-HNNXBMFYSA-N 1 1 388.855 3.802 20 5 GHBDMO COC[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000537629417 881384270 /nfs/dbraw/zinc/38/42/70/881384270.db2.gz YAOIQMNNHATQSF-QGZVFWFLSA-N 1 1 392.459 3.916 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1OC(F)(F)F ZINC000025255448 859206112 /nfs/dbraw/zinc/20/61/12/859206112.db2.gz FNOXBFSCXRNQFI-UHFFFAOYSA-N 1 1 397.353 3.954 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000593248856 859207684 /nfs/dbraw/zinc/20/76/84/859207684.db2.gz GAASJLUICLITSP-UHFFFAOYSA-N 1 1 377.485 3.768 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000499718489 859253409 /nfs/dbraw/zinc/25/34/09/859253409.db2.gz CFKMVUISCGICJA-GOSISDBHSA-N 1 1 391.515 3.535 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(Cl)cc1-n1cncn1)C1CC1 ZINC000474144788 859275181 /nfs/dbraw/zinc/27/51/81/859275181.db2.gz LVLJAIDKZGYIBM-UHFFFAOYSA-N 1 1 383.839 3.994 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)C1CC1 ZINC000474144788 859275190 /nfs/dbraw/zinc/27/51/90/859275190.db2.gz LVLJAIDKZGYIBM-UHFFFAOYSA-N 1 1 383.839 3.994 20 5 GHBDMO COc1cc(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000429411861 859298437 /nfs/dbraw/zinc/29/84/37/859298437.db2.gz XALGOJBGCYZEKN-ZDUSSCGKSA-N 1 1 399.438 3.511 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCOCCO)C3CCC3)o2)c(Cl)c1 ZINC000597206580 859345606 /nfs/dbraw/zinc/34/56/06/859345606.db2.gz RTIDOMHWOJYSEA-UHFFFAOYSA-N 1 1 394.855 3.872 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000764279562 859347380 /nfs/dbraw/zinc/34/73/80/859347380.db2.gz LUASYRDFPGDZHX-GOSISDBHSA-N 1 1 391.855 3.551 20 5 GHBDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000764279562 859347391 /nfs/dbraw/zinc/34/73/91/859347391.db2.gz LUASYRDFPGDZHX-GOSISDBHSA-N 1 1 391.855 3.551 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCC2 ZINC000121134110 859361236 /nfs/dbraw/zinc/36/12/36/859361236.db2.gz BNSPPLFPBIGKOO-MSOLQXFVSA-N 1 1 376.453 3.631 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1F ZINC000764614186 859534688 /nfs/dbraw/zinc/53/46/88/859534688.db2.gz UDFBKLYDTXLBHY-NVXWUHKLSA-N 1 1 385.439 3.825 20 5 GHBDMO CC[N@H+]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C ZINC000611095397 859608165 /nfs/dbraw/zinc/60/81/65/859608165.db2.gz ZNPDDVGKZBBUKX-HNNXBMFYSA-N 1 1 384.436 3.945 20 5 GHBDMO CC(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000611200080 859647513 /nfs/dbraw/zinc/64/75/13/859647513.db2.gz UARWWXTYTMPLSK-UHFFFAOYSA-N 1 1 377.510 3.796 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[N@@H+](C[C@H]4CCCO4)CC3)o2)cc1 ZINC000611254025 859664896 /nfs/dbraw/zinc/66/48/96/859664896.db2.gz GUBIWCYRHZTIPN-LJQANCHMSA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCN(C[C@H]4CCCO4)CC3)o2)cc1 ZINC000611254025 859664899 /nfs/dbraw/zinc/66/48/99/859664899.db2.gz GUBIWCYRHZTIPN-LJQANCHMSA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCN(C[C@H]4CCCO4)CC3)o2)cc1 ZINC000611254025 859664902 /nfs/dbraw/zinc/66/49/02/859664902.db2.gz GUBIWCYRHZTIPN-LJQANCHMSA-N 1 1 385.464 3.542 20 5 GHBDMO Cc1ccc([C@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000161180786 859680793 /nfs/dbraw/zinc/68/07/93/859680793.db2.gz QEYNFQCQXDPIEE-KRWDZBQOSA-N 1 1 383.492 3.711 20 5 GHBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000611322848 859696047 /nfs/dbraw/zinc/69/60/47/859696047.db2.gz NGNWIFIBIWFRMN-INIZCTEOSA-N 1 1 378.469 3.793 20 5 GHBDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000543437185 859700564 /nfs/dbraw/zinc/70/05/64/859700564.db2.gz UJOYLTQCIVXAED-CQSZACIVSA-N 1 1 381.411 3.560 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000602019574 859705892 /nfs/dbraw/zinc/70/58/92/859705892.db2.gz HAWNJIUHOFPTDE-UZLBHIALSA-N 1 1 377.448 3.607 20 5 GHBDMO Cc1nn(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764988313 859718948 /nfs/dbraw/zinc/71/89/48/859718948.db2.gz HPISSWIWVBTWIW-UHFFFAOYSA-N 1 1 384.411 3.893 20 5 GHBDMO O=C(CC[N@@H+](CCC(F)(F)F)CC1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128867356 859779333 /nfs/dbraw/zinc/77/93/33/859779333.db2.gz KOSXHGHZCBOKSW-UHFFFAOYSA-N 1 1 377.338 3.727 20 5 GHBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 ZINC000194733850 859782673 /nfs/dbraw/zinc/78/26/73/859782673.db2.gz RDELMBAOJDJJFH-CALCHBBNSA-N 1 1 377.488 3.569 20 5 GHBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 ZINC000194733850 859782677 /nfs/dbraw/zinc/78/26/77/859782677.db2.gz RDELMBAOJDJJFH-CALCHBBNSA-N 1 1 377.488 3.569 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](Cc2cccnc2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC001170345176 881461961 /nfs/dbraw/zinc/46/19/61/881461961.db2.gz HKOSXJYKKISZNP-MRXNPFEDSA-N 1 1 385.464 3.611 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000466518024 859818612 /nfs/dbraw/zinc/81/86/12/859818612.db2.gz XZBNPJYVXQIMSV-FUHIMQAGSA-N 1 1 396.491 3.926 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597861032 859876894 /nfs/dbraw/zinc/87/68/94/859876894.db2.gz RQXZVHCOAFNCOV-CQSZACIVSA-N 1 1 379.526 3.947 20 5 GHBDMO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000922401643 859924313 /nfs/dbraw/zinc/92/43/13/859924313.db2.gz RQOSKOHXBFPFGE-IAGOWNOFSA-N 1 1 399.476 3.555 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc([N+](=O)[O-])c(C)s3)C2)s1 ZINC000552135277 859991599 /nfs/dbraw/zinc/99/15/99/859991599.db2.gz CHXQJMXVXFILQQ-AWEZNQCLSA-N 1 1 393.534 3.929 20 5 GHBDMO COc1cc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000092187992 860003662 /nfs/dbraw/zinc/00/36/62/860003662.db2.gz RVAYMSYOHAMMRQ-UHFFFAOYSA-N 1 1 389.427 3.828 20 5 GHBDMO CCCc1noc([C@@H]2CCC[N@H+]([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)n1 ZINC001170352043 881494373 /nfs/dbraw/zinc/49/43/73/881494373.db2.gz KGFAQPBXXQLKIR-GOEBONIOSA-N 1 1 388.468 3.750 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000025439618 860083337 /nfs/dbraw/zinc/08/33/37/860083337.db2.gz YJALFBYLLVKNBM-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000025439618 860083350 /nfs/dbraw/zinc/08/33/50/860083350.db2.gz YJALFBYLLVKNBM-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598196093 860141185 /nfs/dbraw/zinc/14/11/85/860141185.db2.gz ZLWDPBVINPGKDP-QGZVFWFLSA-N 1 1 387.867 3.637 20 5 GHBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542656766 860151802 /nfs/dbraw/zinc/15/18/02/860151802.db2.gz HFPYNCNKTQKYDQ-UHFFFAOYSA-N 1 1 379.526 3.947 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000602632445 860184281 /nfs/dbraw/zinc/18/42/81/860184281.db2.gz JDQBFDRUPQIBKQ-GXFFZTMASA-N 1 1 386.292 3.749 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000602632445 860184290 /nfs/dbraw/zinc/18/42/90/860184290.db2.gz JDQBFDRUPQIBKQ-GXFFZTMASA-N 1 1 386.292 3.749 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000602661110 860197427 /nfs/dbraw/zinc/19/74/27/860197427.db2.gz JFMYJELMQAMZAG-ZDUSSCGKSA-N 1 1 386.292 3.893 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000602661110 860197434 /nfs/dbraw/zinc/19/74/34/860197434.db2.gz JFMYJELMQAMZAG-ZDUSSCGKSA-N 1 1 386.292 3.893 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000154608705 860199160 /nfs/dbraw/zinc/19/91/60/860199160.db2.gz FBQIRBNLWUZGGS-KRWDZBQOSA-N 1 1 392.459 3.652 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598396502 860279175 /nfs/dbraw/zinc/27/91/75/860279175.db2.gz LQISXVGOXRWZTN-FQEVSTJZSA-N 1 1 393.487 3.556 20 5 GHBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000155069505 860383787 /nfs/dbraw/zinc/38/37/87/860383787.db2.gz JXLKAHQHUSYYMX-CQSZACIVSA-N 1 1 389.839 3.738 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552250085 860406838 /nfs/dbraw/zinc/40/68/38/860406838.db2.gz UYGWJKJCSMKQRQ-FXAWDEMLSA-N 1 1 399.539 3.908 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000155154291 860420655 /nfs/dbraw/zinc/42/06/55/860420655.db2.gz WSMALCMCGDBZAG-AWEZNQCLSA-N 1 1 377.466 3.750 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000155154291 860420660 /nfs/dbraw/zinc/42/06/60/860420660.db2.gz WSMALCMCGDBZAG-AWEZNQCLSA-N 1 1 377.466 3.750 20 5 GHBDMO COc1cc(OC)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000593578197 860456490 /nfs/dbraw/zinc/45/64/90/860456490.db2.gz PWZDVLFRKZHVHK-UHFFFAOYSA-N 1 1 390.411 3.795 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000552625417 860547236 /nfs/dbraw/zinc/54/72/36/860547236.db2.gz OZIMTLYGHZRNOT-HXUWFJFHSA-N 1 1 381.476 3.713 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000552625417 860547247 /nfs/dbraw/zinc/54/72/47/860547247.db2.gz OZIMTLYGHZRNOT-HXUWFJFHSA-N 1 1 381.476 3.713 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761292956 860649603 /nfs/dbraw/zinc/64/96/03/860649603.db2.gz OCSJPQSNYFYYES-HNNXBMFYSA-N 1 1 388.468 3.654 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761292956 860649606 /nfs/dbraw/zinc/64/96/06/860649606.db2.gz OCSJPQSNYFYYES-HNNXBMFYSA-N 1 1 388.468 3.654 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000156001969 860654267 /nfs/dbraw/zinc/65/42/67/860654267.db2.gz BZUAZLXSGGQLAO-OAQYLSRUSA-N 1 1 397.475 3.505 20 5 GHBDMO C[C@H]([NH2+][C@H](CO)c1ccc(Br)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000429019310 860706664 /nfs/dbraw/zinc/70/66/64/860706664.db2.gz ITTYPMHAUJANBK-ZUZCIYMTSA-N 1 1 383.217 3.881 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)[nH+]c1C ZINC000899508397 860944505 /nfs/dbraw/zinc/94/45/05/860944505.db2.gz OPQVGHFMBDTYGQ-UHFFFAOYSA-N 1 1 388.443 3.758 20 5 GHBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609194073 881614649 /nfs/dbraw/zinc/61/46/49/881614649.db2.gz HORQETTUNPZNHZ-MRXNPFEDSA-N 1 1 377.485 3.510 20 5 GHBDMO CC[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@H+]1CCc2ccccc2C1 ZINC000603739658 861133474 /nfs/dbraw/zinc/13/34/74/861133474.db2.gz KDSAXRRKTCACGP-SFHVURJKSA-N 1 1 393.443 3.908 20 5 GHBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414488789 863132578 /nfs/dbraw/zinc/13/25/78/863132578.db2.gz MIEJJZMATSJGEJ-GJZGRUSLSA-N 1 1 392.839 3.622 20 5 GHBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414488789 863132584 /nfs/dbraw/zinc/13/25/84/863132584.db2.gz MIEJJZMATSJGEJ-GJZGRUSLSA-N 1 1 392.839 3.622 20 5 GHBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)nc1 ZINC000172176468 863329670 /nfs/dbraw/zinc/32/96/70/863329670.db2.gz IKRANANHTORZRS-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc2ccccc2s1 ZINC000734158398 864036455 /nfs/dbraw/zinc/03/64/55/864036455.db2.gz HMYSRWMDOQRTNW-BLLLJJGKSA-N 1 1 382.445 3.661 20 5 GHBDMO CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184184531 864189294 /nfs/dbraw/zinc/18/92/94/864189294.db2.gz KNOMUNUUDWTLMC-SFHVURJKSA-N 1 1 392.459 3.813 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)C1 ZINC000734482676 864247523 /nfs/dbraw/zinc/24/75/23/864247523.db2.gz SIHNUDPKFWDCHY-UKRRQHHQSA-N 1 1 378.498 3.753 20 5 GHBDMO CSc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000186121617 864306084 /nfs/dbraw/zinc/30/60/84/864306084.db2.gz RWHNCOHUBUFEQJ-GFCCVEGCSA-N 1 1 391.518 3.555 20 5 GHBDMO CSc1cccc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000186121617 864306098 /nfs/dbraw/zinc/30/60/98/864306098.db2.gz RWHNCOHUBUFEQJ-GFCCVEGCSA-N 1 1 391.518 3.555 20 5 GHBDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CCO2 ZINC000475292930 864704399 /nfs/dbraw/zinc/70/43/99/864704399.db2.gz VIAOADNUFLBOBM-DJJJIMSYSA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CCO2 ZINC000475292930 864704411 /nfs/dbraw/zinc/70/44/11/864704411.db2.gz VIAOADNUFLBOBM-DJJJIMSYSA-N 1 1 392.839 3.888 20 5 GHBDMO COc1ccc(-n2ccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000192824801 865005505 /nfs/dbraw/zinc/00/55/05/865005505.db2.gz MNVXVSVCIZEIHZ-OAQYLSRUSA-N 1 1 378.432 3.956 20 5 GHBDMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000554846826 865011143 /nfs/dbraw/zinc/01/11/43/865011143.db2.gz JVMNJCAPANWDPN-CABCVRRESA-N 1 1 389.883 3.988 20 5 GHBDMO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000554834588 865014842 /nfs/dbraw/zinc/01/48/42/865014842.db2.gz JRYAKMHRWGRKQX-INIZCTEOSA-N 1 1 387.480 3.578 20 5 GHBDMO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000554834588 865014851 /nfs/dbraw/zinc/01/48/51/865014851.db2.gz JRYAKMHRWGRKQX-INIZCTEOSA-N 1 1 387.480 3.578 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000554849298 865038278 /nfs/dbraw/zinc/03/82/78/865038278.db2.gz XQRWKJCLIXNRCY-MRXNPFEDSA-N 1 1 398.381 3.528 20 5 GHBDMO COc1ccc([C@H]2[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3C)CC[N@H+]2C)cc1 ZINC000735900630 865040772 /nfs/dbraw/zinc/04/07/72/865040772.db2.gz IUMORXPNCKQBFO-JXFKEZNVSA-N 1 1 384.432 3.762 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185005710 865111114 /nfs/dbraw/zinc/11/11/14/865111114.db2.gz WFRCMMZZKOJGCC-HNNXBMFYSA-N 1 1 387.455 3.994 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000736597250 865247855 /nfs/dbraw/zinc/24/78/55/865247855.db2.gz WNXAYKWUSVNHAU-RHSMWYFYSA-N 1 1 381.411 3.828 20 5 GHBDMO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)Cn1cc([N+](=O)[O-])cn1 ZINC000063735867 865259007 /nfs/dbraw/zinc/25/90/07/865259007.db2.gz MLXUSVHXQZXYJR-UHFFFAOYSA-N 1 1 387.415 3.888 20 5 GHBDMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)Cn1cc([N+](=O)[O-])cn1 ZINC000063735867 865259019 /nfs/dbraw/zinc/25/90/19/865259019.db2.gz MLXUSVHXQZXYJR-UHFFFAOYSA-N 1 1 387.415 3.888 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186431735 865327717 /nfs/dbraw/zinc/32/77/17/865327717.db2.gz OQYFCMJEJLUIPH-LJQANCHMSA-N 1 1 376.359 3.828 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186431735 865327732 /nfs/dbraw/zinc/32/77/32/865327732.db2.gz OQYFCMJEJLUIPH-LJQANCHMSA-N 1 1 376.359 3.828 20 5 GHBDMO C[C@H](CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000737426829 865391075 /nfs/dbraw/zinc/39/10/75/865391075.db2.gz FBDGYLWVYRVSJF-SNVBAGLBSA-N 1 1 381.782 3.647 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(CN3CCC[N@@H+](Cc4ccccc4)CC3)c2)cc1 ZINC000738025019 865472597 /nfs/dbraw/zinc/47/25/97/865472597.db2.gz XIWBHIBMYQYSNV-UHFFFAOYSA-N 1 1 391.475 3.624 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000555312862 865886862 /nfs/dbraw/zinc/88/68/62/865886862.db2.gz GJBXSSBNEPYYHZ-XGHQBKJUSA-N 1 1 381.476 3.725 20 5 GHBDMO CCC[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740859692 866045194 /nfs/dbraw/zinc/04/51/94/866045194.db2.gz SWJXPKUEQXEDFA-ZCNNSNEGSA-N 1 1 384.480 3.941 20 5 GHBDMO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475561284 866302317 /nfs/dbraw/zinc/30/23/17/866302317.db2.gz BAFJYMFLSZVXBC-OAHLLOKOSA-N 1 1 390.461 3.718 20 5 GHBDMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475561284 866302332 /nfs/dbraw/zinc/30/23/32/866302332.db2.gz BAFJYMFLSZVXBC-OAHLLOKOSA-N 1 1 390.461 3.718 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534245668 866364770 /nfs/dbraw/zinc/36/47/70/866364770.db2.gz JJRGXXNDCKZEEC-JKSUJKDBSA-N 1 1 384.480 3.803 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000456316398 866418767 /nfs/dbraw/zinc/41/87/67/866418767.db2.gz ACQMQHIDRGQPKW-INIZCTEOSA-N 1 1 399.516 3.911 20 5 GHBDMO C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+](Cc2ccccc2)C1 ZINC000456338876 866451863 /nfs/dbraw/zinc/45/18/63/866451863.db2.gz OJRBKMPNGBKPCM-MRXNPFEDSA-N 1 1 392.459 3.670 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183548181 866850477 /nfs/dbraw/zinc/85/04/77/866850477.db2.gz SXWHUPSCHNGOIA-HNNXBMFYSA-N 1 1 383.452 3.543 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOc3cccc4ccccc43)C2)nc1 ZINC000440482661 866919381 /nfs/dbraw/zinc/91/93/81/866919381.db2.gz BNWADTFXFBSUFE-KRWDZBQOSA-N 1 1 378.432 3.708 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC000440484566 866961497 /nfs/dbraw/zinc/96/14/97/866961497.db2.gz GNOFBACEPGNEKX-AWEZNQCLSA-N 1 1 396.369 3.617 20 5 GHBDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440494407 866967219 /nfs/dbraw/zinc/96/72/19/866967219.db2.gz LVVAANGJNQUDJM-GDBMZVCRSA-N 1 1 379.420 3.892 20 5 GHBDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440494407 866967238 /nfs/dbraw/zinc/96/72/38/866967238.db2.gz LVVAANGJNQUDJM-GDBMZVCRSA-N 1 1 379.420 3.892 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(OCC4CCCCC4)CC3)n2)c1 ZINC000742170655 867094885 /nfs/dbraw/zinc/09/48/85/867094885.db2.gz VVNHPUJWXZUNHM-UHFFFAOYSA-N 1 1 399.495 3.872 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000742155206 867110038 /nfs/dbraw/zinc/11/00/38/867110038.db2.gz HMDSSCWHIPVREF-QGZVFWFLSA-N 1 1 380.448 3.865 20 5 GHBDMO COc1cc(CNCC[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000742388329 867253388 /nfs/dbraw/zinc/25/33/88/867253388.db2.gz RXYYUAIOQQQXIC-QGZVFWFLSA-N 1 1 399.491 3.756 20 5 GHBDMO COc1cc(C[NH2+]CCN2CCC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000742388329 867253404 /nfs/dbraw/zinc/25/34/04/867253404.db2.gz RXYYUAIOQQQXIC-QGZVFWFLSA-N 1 1 399.491 3.756 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c2cccnc21 ZINC000553394162 867313455 /nfs/dbraw/zinc/31/34/55/867313455.db2.gz HVXQLKKNTJHUTL-UHFFFAOYSA-N 1 1 380.423 3.994 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444902416 867427098 /nfs/dbraw/zinc/42/70/98/867427098.db2.gz MCYUZUPIPUOEFM-DOTOQJQBSA-N 1 1 398.463 3.636 20 5 GHBDMO Cc1c(CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000479334729 867606820 /nfs/dbraw/zinc/60/68/20/867606820.db2.gz JVOZUDAFFPXKCN-MRXNPFEDSA-N 1 1 384.480 3.613 20 5 GHBDMO C[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000121555150 868309549 /nfs/dbraw/zinc/30/95/49/868309549.db2.gz ITSZDBGXFSTMAZ-SFHVURJKSA-N 1 1 381.476 3.650 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000553832546 868329495 /nfs/dbraw/zinc/32/94/95/868329495.db2.gz LEQLIBXDMFDWEW-LJQANCHMSA-N 1 1 399.447 3.560 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000553832546 868329509 /nfs/dbraw/zinc/32/95/09/868329509.db2.gz LEQLIBXDMFDWEW-LJQANCHMSA-N 1 1 399.447 3.560 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000445535026 868613611 /nfs/dbraw/zinc/61/36/11/868613611.db2.gz ZSNPGMJPGGCSNL-MRXNPFEDSA-N 1 1 385.439 3.951 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000445535026 868613616 /nfs/dbraw/zinc/61/36/16/868613616.db2.gz ZSNPGMJPGGCSNL-MRXNPFEDSA-N 1 1 385.439 3.951 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2Cc3ccccc3C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000535383327 868666457 /nfs/dbraw/zinc/66/64/57/868666457.db2.gz UZMHIXMVMYTZCP-UHFFFAOYSA-N 1 1 383.448 3.725 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000744393979 868787942 /nfs/dbraw/zinc/78/79/42/868787942.db2.gz WHCQMAYYMPLAJS-RXVVDRJESA-N 1 1 386.448 3.570 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000029828904 868790922 /nfs/dbraw/zinc/79/09/22/868790922.db2.gz UTKMRTZGLGAPDV-OAHLLOKOSA-N 1 1 394.431 3.944 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000793604203 882305918 /nfs/dbraw/zinc/30/59/18/882305918.db2.gz ITUMFKSLTIAVRG-PVHVJQTOSA-N 1 1 387.480 3.941 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3OC(F)(F)F)C2)nc1 ZINC000539836365 869877063 /nfs/dbraw/zinc/87/70/63/869877063.db2.gz ZIVSPTYUSYJXCR-CYBMUJFWSA-N 1 1 382.342 3.575 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3OC(F)(F)F)C2)nc1 ZINC000539836365 869877070 /nfs/dbraw/zinc/87/70/70/869877070.db2.gz ZIVSPTYUSYJXCR-CYBMUJFWSA-N 1 1 382.342 3.575 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000462771527 870069309 /nfs/dbraw/zinc/06/93/09/870069309.db2.gz FPJYLTVLWIHTJW-UIFIKXQLSA-N 1 1 395.503 3.943 20 5 GHBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000428451305 870250410 /nfs/dbraw/zinc/25/04/10/870250410.db2.gz ZZNOSTOKRBQOSN-QGZVFWFLSA-N 1 1 395.253 3.964 20 5 GHBDMO CN(CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC001192271667 870253409 /nfs/dbraw/zinc/25/34/09/870253409.db2.gz JXTRFMRGXCRUJH-UHFFFAOYSA-N 1 1 391.390 3.912 20 5 GHBDMO CN(CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC001192271667 870253421 /nfs/dbraw/zinc/25/34/21/870253421.db2.gz JXTRFMRGXCRUJH-UHFFFAOYSA-N 1 1 391.390 3.912 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1cccc3ccccc31)CC2 ZINC000446739076 870312233 /nfs/dbraw/zinc/31/22/33/870312233.db2.gz PVJAWZFCCGJERX-HXUWFJFHSA-N 1 1 378.428 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1cccc3ccccc31)CC2 ZINC000446739076 870312248 /nfs/dbraw/zinc/31/22/48/870312248.db2.gz PVJAWZFCCGJERX-HXUWFJFHSA-N 1 1 378.428 3.546 20 5 GHBDMO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000181258804 870575042 /nfs/dbraw/zinc/57/50/42/870575042.db2.gz AYXMSVOFQWJUQW-SFHVURJKSA-N 1 1 385.464 3.969 20 5 GHBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804274840 870716517 /nfs/dbraw/zinc/71/65/17/870716517.db2.gz RIJYOTBTLAQSNQ-IMTHGLKYSA-N 1 1 391.427 3.848 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169012213 871096002 /nfs/dbraw/zinc/09/60/02/871096002.db2.gz OSFMZHUECXMMIU-ZWOKBUDYSA-N 1 1 381.517 3.687 20 5 GHBDMO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC001169024472 871126315 /nfs/dbraw/zinc/12/63/15/871126315.db2.gz HFVCUHVYCWDZGT-SIKLNZKXSA-N 1 1 379.504 3.839 20 5 GHBDMO CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047574 871129510 /nfs/dbraw/zinc/12/95/10/871129510.db2.gz RKFAQGPYHVSMED-BTHPGYMESA-N 1 1 392.471 3.805 20 5 GHBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000525779668 871423614 /nfs/dbraw/zinc/42/36/14/871423614.db2.gz OBZCPNJGVQYTPS-OAHLLOKOSA-N 1 1 387.402 3.608 20 5 GHBDMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001194478333 871740150 /nfs/dbraw/zinc/74/01/50/871740150.db2.gz TUJVSTLDXZCVCU-QGZVFWFLSA-N 1 1 383.448 3.812 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463484590 871866027 /nfs/dbraw/zinc/86/60/27/871866027.db2.gz SDFSNGQYMGKVNB-UHFFFAOYSA-N 1 1 387.402 3.950 20 5 GHBDMO COc1ccc(C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])c2ccccc2)cc1OC ZINC000595415129 872045676 /nfs/dbraw/zinc/04/56/76/872045676.db2.gz MGUUDNGLCXAPPN-KRWDZBQOSA-N 1 1 397.431 3.982 20 5 GHBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000552223167 872242740 /nfs/dbraw/zinc/24/27/40/872242740.db2.gz AEEBMOGDZUIBFR-UZLBHIALSA-N 1 1 379.464 3.532 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552283514 872347163 /nfs/dbraw/zinc/34/71/63/872347163.db2.gz FACGOCVYWNKGOX-DQVLVPHSSA-N 1 1 392.459 3.755 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000619569588 872747209 /nfs/dbraw/zinc/74/72/09/872747209.db2.gz UTCYHWJFRNXJTC-YGBSJELFSA-N 1 1 390.480 3.613 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742150435 872804979 /nfs/dbraw/zinc/80/49/79/872804979.db2.gz YRSMYFIETHVIOM-NRFANRHFSA-N 1 1 377.448 3.865 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742150435 872804999 /nfs/dbraw/zinc/80/49/99/872804999.db2.gz YRSMYFIETHVIOM-NRFANRHFSA-N 1 1 377.448 3.865 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccncc1CC ZINC001196140968 872894927 /nfs/dbraw/zinc/89/49/27/872894927.db2.gz WFVYUSULMRMVOR-UHFFFAOYSA-N 1 1 386.455 3.901 20 5 GHBDMO Cc1c(CC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001127247495 872918057 /nfs/dbraw/zinc/91/80/57/872918057.db2.gz XLNCUKZDHLJVDG-SJORKVTESA-N 1 1 381.476 3.567 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115748425 882672083 /nfs/dbraw/zinc/67/20/83/882672083.db2.gz RFDXOEYENODCBJ-CJNGLKHVSA-N 1 1 398.891 3.507 20 5 GHBDMO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464100077 873211769 /nfs/dbraw/zinc/21/17/69/873211769.db2.gz ROUGIUNZUKANJL-AWEZNQCLSA-N 1 1 390.411 3.554 20 5 GHBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464100077 873211775 /nfs/dbraw/zinc/21/17/75/873211775.db2.gz ROUGIUNZUKANJL-AWEZNQCLSA-N 1 1 390.411 3.554 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000768555202 873382538 /nfs/dbraw/zinc/38/25/38/873382538.db2.gz OHBZNHBJQDKJJO-IUODEOHRSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000768555202 873382548 /nfs/dbraw/zinc/38/25/48/873382548.db2.gz OHBZNHBJQDKJJO-IUODEOHRSA-N 1 1 383.876 3.983 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001197169052 873636519 /nfs/dbraw/zinc/63/65/19/873636519.db2.gz VAUFRBYUMUWGGA-WMLDXEAASA-N 1 1 393.459 3.955 20 5 GHBDMO Cc1ccc(O[C@H]2CC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)nc1 ZINC000858038501 882766692 /nfs/dbraw/zinc/76/66/92/882766692.db2.gz UBJXRMMZRQTBAI-PBHICJAKSA-N 1 1 395.419 3.563 20 5 GHBDMO Cc1ccc(O[C@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)nc1 ZINC000858038501 882766700 /nfs/dbraw/zinc/76/67/00/882766700.db2.gz UBJXRMMZRQTBAI-PBHICJAKSA-N 1 1 395.419 3.563 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)c1 ZINC001197544345 873888207 /nfs/dbraw/zinc/88/82/07/873888207.db2.gz VYYAXMGRZZSHOX-OAHLLOKOSA-N 1 1 386.452 3.608 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001197544345 873888217 /nfs/dbraw/zinc/88/82/17/873888217.db2.gz VYYAXMGRZZSHOX-OAHLLOKOSA-N 1 1 386.452 3.608 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001197544345 873888230 /nfs/dbraw/zinc/88/82/30/873888230.db2.gz VYYAXMGRZZSHOX-OAHLLOKOSA-N 1 1 386.452 3.608 20 5 GHBDMO Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000153012390 873903978 /nfs/dbraw/zinc/90/39/78/873903978.db2.gz NXONMFBBZANLHF-MRXNPFEDSA-N 1 1 382.464 3.807 20 5 GHBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769421421 874037786 /nfs/dbraw/zinc/03/77/86/874037786.db2.gz BSBKJWIVXCJFGI-FUZMGVLZSA-N 1 1 375.469 3.843 20 5 GHBDMO CCOC(=O)CCC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769523634 874131114 /nfs/dbraw/zinc/13/11/14/874131114.db2.gz CBYLCGFTQOLDCB-UHFFFAOYSA-N 1 1 399.285 3.913 20 5 GHBDMO Cc1cc(Br)ccc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000769831224 874313575 /nfs/dbraw/zinc/31/35/75/874313575.db2.gz GDEUQMQHOHXSNI-QGZVFWFLSA-N 1 1 379.254 3.831 20 5 GHBDMO COc1cc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1F ZINC000464691704 874324496 /nfs/dbraw/zinc/32/44/96/874324496.db2.gz ONLXCVWPMHMRPS-CQSZACIVSA-N 1 1 391.418 3.760 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001198319125 874350922 /nfs/dbraw/zinc/35/09/22/874350922.db2.gz QJUGJVSCNCTCIL-CYBMUJFWSA-N 1 1 383.876 3.985 20 5 GHBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000464734741 874370603 /nfs/dbraw/zinc/37/06/03/874370603.db2.gz RHNCPGUBNFIZQK-PCCBWWKXSA-N 1 1 390.528 3.756 20 5 GHBDMO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464786003 874492582 /nfs/dbraw/zinc/49/25/82/874492582.db2.gz UOMIYIAYRSKCJF-UHFFFAOYSA-N 1 1 391.512 3.579 20 5 GHBDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000464793251 874524271 /nfs/dbraw/zinc/52/42/71/874524271.db2.gz ZYYMXOLXUSGDDU-FPOVZHCZSA-N 1 1 390.455 3.673 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000541988199 874680675 /nfs/dbraw/zinc/68/06/75/874680675.db2.gz XPIUYMNZRIDYAJ-CRAIPNDOSA-N 1 1 391.512 3.697 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000449559731 875047652 /nfs/dbraw/zinc/04/76/52/875047652.db2.gz YXCACJAIMLBKQR-PMPSAXMXSA-N 1 1 386.448 3.846 20 5 GHBDMO CCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000542200963 875134213 /nfs/dbraw/zinc/13/42/13/875134213.db2.gz QFFAUNBDSODKFP-FQEVSTJZSA-N 1 1 388.489 3.768 20 5 GHBDMO CCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000542200963 875134226 /nfs/dbraw/zinc/13/42/26/875134226.db2.gz QFFAUNBDSODKFP-FQEVSTJZSA-N 1 1 388.489 3.768 20 5 GHBDMO Cc1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000465197295 875307535 /nfs/dbraw/zinc/30/75/35/875307535.db2.gz XXPUQLJYUCXMTP-HNNXBMFYSA-N 1 1 383.448 3.876 20 5 GHBDMO COc1cc(C[NH2+]Cc2cnc(C)cc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449735653 875319908 /nfs/dbraw/zinc/31/99/08/875319908.db2.gz RMSNVNVUKCYXLP-UHFFFAOYSA-N 1 1 399.369 3.846 20 5 GHBDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000449747672 875342999 /nfs/dbraw/zinc/34/29/99/875342999.db2.gz XUIYVRRYJOCJKM-CQSZACIVSA-N 1 1 388.493 3.559 20 5 GHBDMO Cc1cc(-c2noc([C@H](C)[NH2+]CCOc3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000544514401 875604496 /nfs/dbraw/zinc/60/44/96/875604496.db2.gz YASHCIFBWWIUFU-ZDUSSCGKSA-N 1 1 386.383 3.822 20 5 GHBDMO C[N@H+]1CC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000596177285 875663187 /nfs/dbraw/zinc/66/31/87/875663187.db2.gz DGDCOBFENVRFIM-IAQYHMDHSA-N 1 1 380.807 3.593 20 5 GHBDMO CCc1ccc([C@H]2CCC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC001170040902 875863302 /nfs/dbraw/zinc/86/33/02/875863302.db2.gz ZHLMBMLRGZMHLY-SFHVURJKSA-N 1 1 397.475 3.984 20 5 GHBDMO CCc1ccc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC001170040902 875863314 /nfs/dbraw/zinc/86/33/14/875863314.db2.gz ZHLMBMLRGZMHLY-SFHVURJKSA-N 1 1 397.475 3.984 20 5 GHBDMO CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000785862685 876311276 /nfs/dbraw/zinc/31/12/76/876311276.db2.gz CAWWYECLRGYYDS-OAHLLOKOSA-N 1 1 385.468 3.580 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450419442 876402841 /nfs/dbraw/zinc/40/28/41/876402841.db2.gz OQRVTSSCQWRXMH-UHFFFAOYSA-N 1 1 386.496 3.718 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000850459754 876941494 /nfs/dbraw/zinc/94/14/94/876941494.db2.gz FRSAFWZETUVKSE-OAHLLOKOSA-N 1 1 399.491 3.906 20 5 GHBDMO COC(=O)c1nc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)ccc1Cl ZINC000850513474 876984741 /nfs/dbraw/zinc/98/47/41/876984741.db2.gz GKZBGOURVTTZSL-KRWDZBQOSA-N 1 1 389.839 3.987 20 5 GHBDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000610003849 877277530 /nfs/dbraw/zinc/27/75/30/877277530.db2.gz KOYLPJIFHJCKED-CYBMUJFWSA-N 1 1 385.395 3.651 20 5 GHBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)C(N)=O ZINC000451216528 877594637 /nfs/dbraw/zinc/59/46/37/877594637.db2.gz MDXJPJXARFXURF-LBPRGKRZSA-N 1 1 387.402 3.727 20 5 GHBDMO COc1cccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000192773642 877689463 /nfs/dbraw/zinc/68/94/63/877689463.db2.gz HZEKUMZOQNADKF-MRXNPFEDSA-N 1 1 389.496 3.720 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451334255 877820482 /nfs/dbraw/zinc/82/04/82/877820482.db2.gz SJNZDXTYFIKMED-SFHVURJKSA-N 1 1 391.855 3.551 20 5 GHBDMO C[C@]1(CO)CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000530443066 877830850 /nfs/dbraw/zinc/83/08/50/877830850.db2.gz QZNUDJLAKRSCCC-JOCHJYFZSA-N 1 1 392.459 3.794 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)c1ccccc1Br ZINC000852149596 878103793 /nfs/dbraw/zinc/10/37/93/878103793.db2.gz KAXWTIPJPGEQKY-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)c1ccccc1Br ZINC000852149596 878103803 /nfs/dbraw/zinc/10/38/03/878103803.db2.gz KAXWTIPJPGEQKY-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCc2sccc2C1 ZINC000451544877 878112861 /nfs/dbraw/zinc/11/28/61/878112861.db2.gz GCBMUQCZPDWQRY-KRWDZBQOSA-N 1 1 399.516 3.811 20 5 GHBDMO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546761 878119470 /nfs/dbraw/zinc/11/94/70/878119470.db2.gz JSQLKFYMDPUGHH-RHSMWYFYSA-N 1 1 379.420 3.980 20 5 GHBDMO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451554070 878141290 /nfs/dbraw/zinc/14/12/90/878141290.db2.gz ZAORAGIZTIOENC-HNNXBMFYSA-N 1 1 386.427 3.524 20 5 GHBDMO COCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581398 878197074 /nfs/dbraw/zinc/19/70/74/878197074.db2.gz DIBVXIIYKDGZGL-SFHVURJKSA-N 1 1 382.819 3.569 20 5 GHBDMO COCC[N@H+](Cc1ccc(F)cc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581398 878197081 /nfs/dbraw/zinc/19/70/81/878197081.db2.gz DIBVXIIYKDGZGL-SFHVURJKSA-N 1 1 382.819 3.569 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581584 878200041 /nfs/dbraw/zinc/20/00/41/878200041.db2.gz KODIEHQTLAKUPF-OAQYLSRUSA-N 1 1 399.422 3.987 20 5 GHBDMO COc1ccc(OC)c(C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)c1 ZINC000776585820 878233656 /nfs/dbraw/zinc/23/36/56/878233656.db2.gz ABRMLKKTJLNTFK-LJQANCHMSA-N 1 1 388.464 3.946 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000776590728 878276248 /nfs/dbraw/zinc/27/62/48/878276248.db2.gz FUEKXMQOHMKIOT-BHDDXSALSA-N 1 1 384.476 3.997 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1[N+](=O)[O-] ZINC000537857722 878398338 /nfs/dbraw/zinc/39/83/38/878398338.db2.gz PQRMXTLBXPGKFO-AWEZNQCLSA-N 1 1 397.353 3.671 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1[N+](=O)[O-] ZINC000537857722 878398350 /nfs/dbraw/zinc/39/83/50/878398350.db2.gz PQRMXTLBXPGKFO-AWEZNQCLSA-N 1 1 397.353 3.671 20 5 GHBDMO CC(C)OCCOC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000451948904 878754383 /nfs/dbraw/zinc/75/43/83/878754383.db2.gz ALPQQBVUDALBEI-UHFFFAOYSA-N 1 1 389.452 3.656 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)nc1-c1ccccn1 ZINC000853498672 879065165 /nfs/dbraw/zinc/06/51/65/879065165.db2.gz DNXVZPRAYJMEJF-MRXNPFEDSA-N 1 1 395.488 3.925 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)nc1-c1ccccn1 ZINC000853498672 879065175 /nfs/dbraw/zinc/06/51/75/879065175.db2.gz DNXVZPRAYJMEJF-MRXNPFEDSA-N 1 1 395.488 3.925 20 5 GHBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000461083357 879135736 /nfs/dbraw/zinc/13/57/36/879135736.db2.gz FNMGOMSLGXKNIW-HNNXBMFYSA-N 1 1 391.431 3.559 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1Cc1ccccc1 ZINC000531189282 879280810 /nfs/dbraw/zinc/28/08/10/879280810.db2.gz GFUOMORHORFRHQ-RDJZCZTQSA-N 1 1 392.459 3.859 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000531381958 879746520 /nfs/dbraw/zinc/74/65/20/879746520.db2.gz JWZRHHQXJJDKJT-OCCSQVGLSA-N 1 1 387.427 3.509 20 5 GHBDMO C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000790563970 879821137 /nfs/dbraw/zinc/82/11/37/879821137.db2.gz KENMURQBIHBJKN-OLZOCXBDSA-N 1 1 397.878 3.699 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC000494036282 879843347 /nfs/dbraw/zinc/84/33/47/879843347.db2.gz DHKZPVIHYQLPAR-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC000494036282 879843366 /nfs/dbraw/zinc/84/33/66/879843366.db2.gz DHKZPVIHYQLPAR-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO C[C@@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000494060060 879866472 /nfs/dbraw/zinc/86/64/72/879866472.db2.gz KVGDRXZZWCQSDU-BEFAXECRSA-N 1 1 394.475 3.562 20 5 GHBDMO Cc1sc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461452689 879897319 /nfs/dbraw/zinc/89/73/19/879897319.db2.gz VWNHVHGECFWZNH-IAGOWNOFSA-N 1 1 385.489 3.559 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000286031118 912543870 /nfs/dbraw/zinc/54/38/70/912543870.db2.gz QIUQEPXBMXIJIU-CEXWTWQISA-N 1 1 383.404 3.508 20 5 GHBDMO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000130263685 880731585 /nfs/dbraw/zinc/73/15/85/880731585.db2.gz FXSOJIXFYOYWMP-GOSISDBHSA-N 1 1 397.450 3.531 20 5 GHBDMO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000919963647 881282978 /nfs/dbraw/zinc/28/29/78/881282978.db2.gz NNBPXLFNKUXRMT-UHFFFAOYSA-N 1 1 399.344 3.955 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[N@H+]1C1CC1 ZINC000152984483 881287256 /nfs/dbraw/zinc/28/72/56/881287256.db2.gz HATXLMADIORIGG-KBPBESRZSA-N 1 1 389.521 3.985 20 5 GHBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442087 883193547 /nfs/dbraw/zinc/19/35/47/883193547.db2.gz KHHBKLUAJKHRQP-GOSISDBHSA-N 1 1 391.830 3.954 20 5 GHBDMO Cc1ccnc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 ZINC000609891488 883799504 /nfs/dbraw/zinc/79/95/04/883799504.db2.gz SAUOVCIKBYPVNM-UHFFFAOYSA-N 1 1 395.488 3.744 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000026230530 884216874 /nfs/dbraw/zinc/21/68/74/884216874.db2.gz QWEIYOMKLGWRJL-LJQANCHMSA-N 1 1 399.447 3.778 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054217533 884313206 /nfs/dbraw/zinc/31/32/06/884313206.db2.gz XEIXDSSOVFSKFX-UHFFFAOYSA-N 1 1 380.857 3.555 20 5 GHBDMO O=C(c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)N1CCCC1 ZINC000153263949 884356079 /nfs/dbraw/zinc/35/60/79/884356079.db2.gz SHQOLQXLNKHTIG-UHFFFAOYSA-N 1 1 379.460 3.995 20 5 GHBDMO CC(C)(C)c1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000428548512 884578375 /nfs/dbraw/zinc/57/83/75/884578375.db2.gz OQJDAOYUPAPHCM-GOSISDBHSA-N 1 1 397.475 3.711 20 5 GHBDMO O=C(c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)N1CCCC1 ZINC000130683011 884621306 /nfs/dbraw/zinc/62/13/06/884621306.db2.gz ZFOYXONQQIGXMM-UHFFFAOYSA-N 1 1 379.460 3.995 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248944806 885323320 /nfs/dbraw/zinc/32/33/20/885323320.db2.gz ZEDSCIFPFNFMEM-LQWHRVPQSA-N 1 1 385.508 3.639 20 5 GHBDMO COc1cc(Br)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000326199763 885383974 /nfs/dbraw/zinc/38/39/74/885383974.db2.gz NLIKPHMNSCVQAB-UHFFFAOYSA-N 1 1 395.253 3.973 20 5 GHBDMO C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272256452 885530262 /nfs/dbraw/zinc/53/02/62/885530262.db2.gz JEBCCYXOALYVCF-HOCLYGCPSA-N 1 1 387.867 3.889 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000862037995 886072060 /nfs/dbraw/zinc/07/20/60/886072060.db2.gz QLPYJZGLVINUDP-MAUKXSAKSA-N 1 1 385.851 3.595 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032399876 886274769 /nfs/dbraw/zinc/27/47/69/886274769.db2.gz LVTGVLOOQASFQB-INIZCTEOSA-N 1 1 399.516 3.640 20 5 GHBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915307554 886296599 /nfs/dbraw/zinc/29/65/99/886296599.db2.gz JRCZHLPOAHQOQQ-UHFFFAOYSA-N 1 1 388.855 3.818 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000026265687 886321595 /nfs/dbraw/zinc/32/15/95/886321595.db2.gz KRZPESAVVSQTBA-UHFFFAOYSA-N 1 1 399.403 3.820 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCNc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000556893284 886484292 /nfs/dbraw/zinc/48/42/92/886484292.db2.gz SPFFCBWOTYKLEF-IBGZPJMESA-N 1 1 383.427 3.649 20 5 GHBDMO COC[C@H]1CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000556908963 886643109 /nfs/dbraw/zinc/64/31/09/886643109.db2.gz OBXHAYKQSYDHBY-GFCCVEGCSA-N 1 1 381.226 3.838 20 5 GHBDMO COC(C)(C)C[N@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000532645593 886811925 /nfs/dbraw/zinc/81/19/25/886811925.db2.gz WTJKNKHWBWFECY-LJQANCHMSA-N 1 1 385.464 3.940 20 5 GHBDMO COC(C)(C)C[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000532645593 886811944 /nfs/dbraw/zinc/81/19/44/886811944.db2.gz WTJKNKHWBWFECY-LJQANCHMSA-N 1 1 385.464 3.940 20 5 GHBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272346752 887135618 /nfs/dbraw/zinc/13/56/18/887135618.db2.gz QGNSGJNQQJGQAX-XLIONFOSSA-N 1 1 381.476 3.554 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000153261566 887237044 /nfs/dbraw/zinc/23/70/44/887237044.db2.gz LHLOFYWVRGAWIB-HNNXBMFYSA-N 1 1 386.448 3.781 20 5 GHBDMO Cc1cc(N2CCC[C@H](c3[nH+]ccn3C)C2)c(Br)cc1[N+](=O)[O-] ZINC000443966712 887333988 /nfs/dbraw/zinc/33/39/88/887333988.db2.gz XOTLRDGARZGDRF-LBPRGKRZSA-N 1 1 379.258 3.783 20 5 GHBDMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459343970 887523506 /nfs/dbraw/zinc/52/35/06/887523506.db2.gz MDAGXFYLSFNOBN-CQSZACIVSA-N 1 1 398.492 3.571 20 5 GHBDMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459343970 887523513 /nfs/dbraw/zinc/52/35/13/887523513.db2.gz MDAGXFYLSFNOBN-CQSZACIVSA-N 1 1 398.492 3.571 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000272520473 887617293 /nfs/dbraw/zinc/61/72/93/887617293.db2.gz LBKCVDMFGVGXIM-LJQANCHMSA-N 1 1 397.504 3.585 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272528929 887634445 /nfs/dbraw/zinc/63/44/45/887634445.db2.gz MOIAGADHYIRUMH-IEBWSBKVSA-N 1 1 384.480 3.889 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272545634 887715813 /nfs/dbraw/zinc/71/58/13/887715813.db2.gz QAHFPFOOZAFOCV-NQIIRXRSSA-N 1 1 391.475 3.676 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000153338336 887731605 /nfs/dbraw/zinc/73/16/05/887731605.db2.gz AKIYYSIXMISIFY-OAHLLOKOSA-N 1 1 396.447 3.964 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001131838965 887752714 /nfs/dbraw/zinc/75/27/14/887752714.db2.gz OMGJGFJSPKXREB-INIZCTEOSA-N 1 1 383.448 3.513 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809918375 887966876 /nfs/dbraw/zinc/96/68/76/887966876.db2.gz YEKWWJRHPTXYPS-OAHLLOKOSA-N 1 1 388.855 3.892 20 5 GHBDMO CNC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000809997750 888053967 /nfs/dbraw/zinc/05/39/67/888053967.db2.gz GGFVFIDJALQSHL-OAHLLOKOSA-N 1 1 382.247 3.869 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3cccc([N+](=O)[O-])c3C(C)=O)CC2)cc1 ZINC000763207146 888290007 /nfs/dbraw/zinc/29/00/07/888290007.db2.gz SDDGZPMHRJHSBJ-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001132308221 888584732 /nfs/dbraw/zinc/58/47/32/888584732.db2.gz ZSYVMNJIINYTAG-RDJZCZTQSA-N 1 1 399.516 3.815 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000866058028 888713098 /nfs/dbraw/zinc/71/30/98/888713098.db2.gz SFSFQHLFHBGLAM-LIRRHRJNSA-N 1 1 391.468 3.537 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866235966 888791503 /nfs/dbraw/zinc/79/15/03/888791503.db2.gz QACKMXMYVJZUSV-SFHVURJKSA-N 1 1 399.466 3.647 20 5 GHBDMO CC1CCN(c2ccc(C(=O)O[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000810841689 888930951 /nfs/dbraw/zinc/93/09/51/888930951.db2.gz NBOXXCOIZZDWNP-ZWKOTPCHSA-N 1 1 387.480 3.615 20 5 GHBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000810848449 888940029 /nfs/dbraw/zinc/94/00/29/888940029.db2.gz VBNKHPQOIAKXAI-HKUYNNGSSA-N 1 1 395.459 3.991 20 5 GHBDMO CNc1ccc(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000532798850 888965747 /nfs/dbraw/zinc/96/57/47/888965747.db2.gz QAJMQSHJJYZKOI-WMZOPIPTSA-N 1 1 396.491 3.667 20 5 GHBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000763404314 889229155 /nfs/dbraw/zinc/22/91/55/889229155.db2.gz QAUSDPUUPIEJFN-GOSISDBHSA-N 1 1 389.883 3.629 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1Cl ZINC000763404314 889229164 /nfs/dbraw/zinc/22/91/64/889229164.db2.gz QAUSDPUUPIEJFN-GOSISDBHSA-N 1 1 389.883 3.629 20 5 GHBDMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000032964402 889285124 /nfs/dbraw/zinc/28/51/24/889285124.db2.gz YYWBWYHVOVHHMG-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000032964402 889285151 /nfs/dbraw/zinc/28/51/51/889285151.db2.gz YYWBWYHVOVHHMG-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1ccc(C[C@@H](C)[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000532971753 889412955 /nfs/dbraw/zinc/41/29/55/889412955.db2.gz AAAUXEHEKQEPKI-MRXNPFEDSA-N 1 1 383.448 3.764 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000811474106 889659453 /nfs/dbraw/zinc/65/94/53/889659453.db2.gz UHGHUZMJFRMJKG-UHFFFAOYSA-N 1 1 378.219 3.772 20 5 GHBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC000811475837 889662624 /nfs/dbraw/zinc/66/26/24/889662624.db2.gz ASRMTPFRQBHVDK-UHFFFAOYSA-N 1 1 389.260 3.595 20 5 GHBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001133015048 889979175 /nfs/dbraw/zinc/97/91/75/889979175.db2.gz UQVBLAQDZRGUPT-MRXNPFEDSA-N 1 1 385.489 3.878 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCN(C)c1ccccc1 ZINC000533281474 890179665 /nfs/dbraw/zinc/17/96/65/890179665.db2.gz ZJSVXSYUXFTWGW-CQSZACIVSA-N 1 1 390.871 3.643 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCN(C)c1ccccc1 ZINC000533281474 890179669 /nfs/dbraw/zinc/17/96/69/890179669.db2.gz ZJSVXSYUXFTWGW-CQSZACIVSA-N 1 1 390.871 3.643 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533299573 890246498 /nfs/dbraw/zinc/24/64/98/890246498.db2.gz OKFGWUJRCNSRTJ-KRWDZBQOSA-N 1 1 385.439 3.936 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000795103199 890266354 /nfs/dbraw/zinc/26/63/54/890266354.db2.gz PPOGITWCYOEEMK-GDBMZVCRSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000795103199 890266374 /nfs/dbraw/zinc/26/63/74/890266374.db2.gz PPOGITWCYOEEMK-GDBMZVCRSA-N 1 1 379.432 3.565 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154206381 890280768 /nfs/dbraw/zinc/28/07/68/890280768.db2.gz HYLPVGIZWOFFCF-NRFANRHFSA-N 1 1 398.438 3.722 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000812840271 891029099 /nfs/dbraw/zinc/02/90/99/891029099.db2.gz GZBDZXNDQLHGPT-WKCGWZECSA-N 1 1 377.441 3.655 20 5 GHBDMO CCOc1cc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000812843211 891032533 /nfs/dbraw/zinc/03/25/33/891032533.db2.gz OMVJQETYCJBRFD-LJQANCHMSA-N 1 1 397.447 3.543 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850243 891042689 /nfs/dbraw/zinc/04/26/89/891042689.db2.gz SPEFSPKVOKIKFA-IERDGZPVSA-N 1 1 385.464 3.676 20 5 GHBDMO C[C@@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1c(F)cccc1F ZINC000813171151 891327304 /nfs/dbraw/zinc/32/73/04/891327304.db2.gz DRWONAOSSQOUJB-CJNGLKHVSA-N 1 1 390.386 3.794 20 5 GHBDMO C[C@@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1c(F)cccc1F ZINC000813171151 891327321 /nfs/dbraw/zinc/32/73/21/891327321.db2.gz DRWONAOSSQOUJB-CJNGLKHVSA-N 1 1 390.386 3.794 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001133695845 891462559 /nfs/dbraw/zinc/46/25/59/891462559.db2.gz PNAMIDHPRWHDCQ-MSOLQXFVSA-N 1 1 397.450 3.636 20 5 GHBDMO C[N@H+]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](c2ccccc2)C1 ZINC000497414251 891531536 /nfs/dbraw/zinc/53/15/36/891531536.db2.gz DBTJEONQURLOFN-IRXDYDNUSA-N 1 1 381.457 3.637 20 5 GHBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000033318307 891888828 /nfs/dbraw/zinc/88/88/28/891888828.db2.gz NDYLSNNAVLXKAT-DOTOQJQBSA-N 1 1 391.427 3.636 20 5 GHBDMO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000476002131 892012576 /nfs/dbraw/zinc/01/25/76/892012576.db2.gz VIPDTVIOUPGCDS-HNNXBMFYSA-N 1 1 383.448 3.605 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000476002131 892012587 /nfs/dbraw/zinc/01/25/87/892012587.db2.gz VIPDTVIOUPGCDS-HNNXBMFYSA-N 1 1 383.448 3.605 20 5 GHBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154428921 892125135 /nfs/dbraw/zinc/12/51/35/892125135.db2.gz YEPPMXRSPJEGPA-PMACEKPBSA-N 1 1 380.448 3.835 20 5 GHBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154428921 892125140 /nfs/dbraw/zinc/12/51/40/892125140.db2.gz YEPPMXRSPJEGPA-PMACEKPBSA-N 1 1 380.448 3.835 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825732582 892139159 /nfs/dbraw/zinc/13/91/59/892139159.db2.gz YDKPTZGPPAYCRL-MRXNPFEDSA-N 1 1 387.867 3.543 20 5 GHBDMO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154429025 892161050 /nfs/dbraw/zinc/16/10/50/892161050.db2.gz YEPPMXRSPJEGPA-UXHICEINSA-N 1 1 380.448 3.835 20 5 GHBDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154429025 892161061 /nfs/dbraw/zinc/16/10/61/892161061.db2.gz YEPPMXRSPJEGPA-UXHICEINSA-N 1 1 380.448 3.835 20 5 GHBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc([S@](C)=O)cc1 ZINC000533742910 892719472 /nfs/dbraw/zinc/71/94/72/892719472.db2.gz NXYMFNOHINYRDH-LJZMDLFKSA-N 1 1 384.404 3.784 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000825831360 892885647 /nfs/dbraw/zinc/88/56/47/892885647.db2.gz WNGWWPUUZGBISP-LSDHHAIUSA-N 1 1 379.888 3.975 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001137098569 892888671 /nfs/dbraw/zinc/88/86/71/892888671.db2.gz GBQUGSPZHBWBCQ-QGZVFWFLSA-N 1 1 385.489 3.663 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)CN1CCOCC1 ZINC000536695068 893559182 /nfs/dbraw/zinc/55/91/82/893559182.db2.gz KGUXOGICZJSRLA-UHFFFAOYSA-N 1 1 387.480 3.645 20 5 GHBDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000563475148 893780080 /nfs/dbraw/zinc/78/00/80/893780080.db2.gz HFCCOKHVGMXLEH-UWWQBHOKSA-N 1 1 386.448 3.716 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459630370 893931607 /nfs/dbraw/zinc/93/16/07/893931607.db2.gz GGAYKMMCQZVHET-ZJUUUORDSA-N 1 1 394.884 3.871 20 5 GHBDMO CCC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000878125349 894037015 /nfs/dbraw/zinc/03/70/15/894037015.db2.gz LATDTRMYXGGIFD-QGTPRVQTSA-N 1 1 386.452 3.670 20 5 GHBDMO Cc1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)nc1C ZINC000459677425 894053488 /nfs/dbraw/zinc/05/34/88/894053488.db2.gz VHOJGFNFVVKSKR-UHFFFAOYSA-N 1 1 397.216 3.501 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001135244627 894255403 /nfs/dbraw/zinc/25/54/03/894255403.db2.gz FFIUMGZDBXULDD-XOKHGSTOSA-N 1 1 377.510 3.557 20 5 GHBDMO COc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001185565897 913959132 /nfs/dbraw/zinc/95/91/32/913959132.db2.gz WCQXOXWOFLRMBE-HNNXBMFYSA-N 1 1 375.856 3.968 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1C ZINC001185565767 913959402 /nfs/dbraw/zinc/95/94/02/913959402.db2.gz URUDYLFSYGLAPK-SFHVURJKSA-N 1 1 397.475 3.791 20 5 GHBDMO COc1ccccc1C1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000565413485 895609337 /nfs/dbraw/zinc/60/93/37/895609337.db2.gz YETCKHRHYNRLGS-FQEVSTJZSA-N 1 1 392.459 3.748 20 5 GHBDMO C[C@@H]1C[C@@H]([NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CO1 ZINC000565950512 896004184 /nfs/dbraw/zinc/00/41/84/896004184.db2.gz GEQUWRWRQKIMOG-RVZJWNSFSA-N 1 1 389.839 3.695 20 5 GHBDMO C[C@@H]1C[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC001185743989 914056976 /nfs/dbraw/zinc/05/69/76/914056976.db2.gz AJVIZVLXZISKRR-NVXWUHKLSA-N 1 1 392.459 3.522 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131296165 897398444 /nfs/dbraw/zinc/39/84/44/897398444.db2.gz KQSRITIKXIBCQV-UHFFFAOYSA-N 1 1 388.317 3.973 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1NCc1ccccc1C[NH+]1CCOCC1 ZINC000820611168 897410233 /nfs/dbraw/zinc/41/02/33/897410233.db2.gz VPSXXFMTJAPRNV-UHFFFAOYSA-N 1 1 379.819 3.832 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000823994777 899344934 /nfs/dbraw/zinc/34/49/34/899344934.db2.gz YDIJINKFVFUQBK-QAPCUYQASA-N 1 1 397.479 3.694 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000134110777 899588215 /nfs/dbraw/zinc/58/82/15/899588215.db2.gz SVCYLQXSXBGXPO-HZPDHXFCSA-N 1 1 393.484 3.599 20 5 GHBDMO COc1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000824522389 899656575 /nfs/dbraw/zinc/65/65/75/899656575.db2.gz VOJFSXLKZGYXQX-GOSISDBHSA-N 1 1 394.431 3.614 20 5 GHBDMO O=C1CC[C@H](N2CC[NH+](Cc3c4ccccc4cc4ccccc43)CC2)CCN1 ZINC000825147813 900005606 /nfs/dbraw/zinc/00/56/06/900005606.db2.gz MZRMRNYBWPTBNE-NRFANRHFSA-N 1 1 387.527 3.779 20 5 GHBDMO C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001137043281 900190568 /nfs/dbraw/zinc/19/05/68/900190568.db2.gz PMWIQDPKTRSHSS-QGZVFWFLSA-N 1 1 399.466 3.790 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136919430 900769717 /nfs/dbraw/zinc/76/97/17/900769717.db2.gz KNAPVVJNJYBNKT-INIZCTEOSA-N 1 1 387.867 3.543 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000158085458 901012681 /nfs/dbraw/zinc/01/26/81/901012681.db2.gz LIRAXLKHRLGIKE-CYBMUJFWSA-N 1 1 389.839 3.685 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000158085458 901012689 /nfs/dbraw/zinc/01/26/89/901012689.db2.gz LIRAXLKHRLGIKE-CYBMUJFWSA-N 1 1 389.839 3.685 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158420079 901409247 /nfs/dbraw/zinc/40/92/47/901409247.db2.gz JJEHANRRUPGQJF-HUUCEWRRSA-N 1 1 379.526 3.898 20 5 GHBDMO Cc1sc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000047715762 902333889 /nfs/dbraw/zinc/33/38/89/902333889.db2.gz XEIVMRRJXMYFNG-UHFFFAOYSA-N 1 1 395.431 3.637 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000778984890 902556131 /nfs/dbraw/zinc/55/61/31/902556131.db2.gz FCEBNBWJMQCCGW-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000778984890 902556144 /nfs/dbraw/zinc/55/61/44/902556144.db2.gz FCEBNBWJMQCCGW-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)s1 ZINC000846100884 902713471 /nfs/dbraw/zinc/71/34/71/902713471.db2.gz BLDWKRFHNWIBJD-CQSZACIVSA-N 1 1 391.468 3.698 20 5 GHBDMO C[C@@H]([NH2+]C(C)(C)CNCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000577386049 902729765 /nfs/dbraw/zinc/72/97/65/902729765.db2.gz PGGLZEZARSYIPA-MRXNPFEDSA-N 1 1 384.480 3.642 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)cc1Cl ZINC000846175726 902761322 /nfs/dbraw/zinc/76/13/22/902761322.db2.gz BANAKKXMBRMXQR-UHFFFAOYSA-N 1 1 390.871 3.546 20 5 GHBDMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000577717443 903100093 /nfs/dbraw/zinc/10/00/93/903100093.db2.gz YIYIOODKHPZWQB-QAPCUYQASA-N 1 1 398.463 3.778 20 5 GHBDMO COc1cc(C[NH2+]Cc2c(C)cccc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000779088484 904046405 /nfs/dbraw/zinc/04/64/05/904046405.db2.gz RPBQUNXFPPZUEX-UHFFFAOYSA-N 1 1 384.354 3.985 20 5 GHBDMO C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+]1CCCC[C@H]1C ZINC000578951300 904248937 /nfs/dbraw/zinc/24/89/37/904248937.db2.gz NQLFXINWEATTAB-HZPDHXFCSA-N 1 1 377.488 3.674 20 5 GHBDMO COc1ccccc1-c1csc([C@@H]2CCC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000773344335 905468959 /nfs/dbraw/zinc/46/89/59/905468959.db2.gz LZIZSXIAUAFUNI-CQSZACIVSA-N 1 1 399.476 3.761 20 5 GHBDMO COc1ccccc1-c1csc([C@@H]2CCC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000773344335 905468967 /nfs/dbraw/zinc/46/89/67/905468967.db2.gz LZIZSXIAUAFUNI-CQSZACIVSA-N 1 1 399.476 3.761 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000175268654 905499317 /nfs/dbraw/zinc/49/93/17/905499317.db2.gz UAYWLCHCMVJKIJ-GOSISDBHSA-N 1 1 397.475 3.588 20 5 GHBDMO CN(CC[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)OC(C)(C)C ZINC001172904771 905929078 /nfs/dbraw/zinc/92/90/78/905929078.db2.gz ALLXOAOBWNOBQQ-QGZVFWFLSA-N 1 1 377.485 3.641 20 5 GHBDMO CC[C@@H]1[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC[C@]12CCC(=O)N2C ZINC001172909691 906016941 /nfs/dbraw/zinc/01/69/41/906016941.db2.gz UFXJCCRYZUXMDJ-CBQOVEMMSA-N 1 1 385.508 3.708 20 5 GHBDMO O=C1c2ccccc2CN1[C@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911361 906018567 /nfs/dbraw/zinc/01/85/67/906018567.db2.gz ATDBDQAMJKUXEQ-FPOVZHCZSA-N 1 1 391.471 3.573 20 5 GHBDMO CC(C)N1CC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@H](C)C1 ZINC001173014559 906092137 /nfs/dbraw/zinc/09/21/37/906092137.db2.gz SEKJEPWOVRFYEQ-KUHUBIRLSA-N 1 1 396.482 3.550 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](CCN(C)C)c2ccccc2)c1F ZINC001173178247 906256149 /nfs/dbraw/zinc/25/61/49/906256149.db2.gz KMPNUGPSCMIMMT-QAPCUYQASA-N 1 1 389.471 3.956 20 5 GHBDMO CCC(CC)[NH+]1CCC(N[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173182351 906263611 /nfs/dbraw/zinc/26/36/11/906263611.db2.gz SCWSVRGSKMYYJD-AWEZNQCLSA-N 1 1 381.492 3.916 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1F ZINC001173182412 906263640 /nfs/dbraw/zinc/26/36/40/906263640.db2.gz RPNUEGQSROGZOT-BONVTDFDSA-N 1 1 382.329 3.897 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1F ZINC001173185990 906266560 /nfs/dbraw/zinc/26/65/60/906266560.db2.gz QMXJXNSIQBRNGY-CQSZACIVSA-N 1 1 391.418 3.635 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](OCc3ccccc3)C2)c1F ZINC001173190316 906271419 /nfs/dbraw/zinc/27/14/19/906271419.db2.gz SRWPCUIIPIYHJM-DOTOQJQBSA-N 1 1 388.439 3.965 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001173223438 906303597 /nfs/dbraw/zinc/30/35/97/906303597.db2.gz ZVWAECPHGIKWKV-SUMDDJOVSA-N 1 1 389.496 3.857 20 5 GHBDMO COc1ccccc1CC1([NH3+])CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173223319 906304052 /nfs/dbraw/zinc/30/40/52/906304052.db2.gz ICRNMOADOHUUBE-KRWDZBQOSA-N 1 1 383.492 3.570 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2csc(C)n2)c([N+](=O)[O-])c1 ZINC000299194596 921245020 /nfs/dbraw/zinc/24/50/20/921245020.db2.gz DJUPGENQZQRCLA-MRXNPFEDSA-N 1 1 390.465 3.534 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2csc(C)n2)c([N+](=O)[O-])c1 ZINC000299194596 921245025 /nfs/dbraw/zinc/24/50/25/921245025.db2.gz DJUPGENQZQRCLA-MRXNPFEDSA-N 1 1 390.465 3.534 20 5 GHBDMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180652481 906811105 /nfs/dbraw/zinc/81/11/05/906811105.db2.gz PCMANYSWEVWMOE-OXQOHEQNSA-N 1 1 396.447 3.534 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1OC ZINC001175293066 907464830 /nfs/dbraw/zinc/46/48/30/907464830.db2.gz WWGMUFPVWWRFEN-LDBYXDLTSA-N 1 1 392.496 3.623 20 5 GHBDMO COCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)c1ccccc1 ZINC000299456278 921342240 /nfs/dbraw/zinc/34/22/40/921342240.db2.gz XWPXHWKZSBGFPL-HNNXBMFYSA-N 1 1 382.420 3.854 20 5 GHBDMO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)c1ccccc1 ZINC000299456278 921342251 /nfs/dbraw/zinc/34/22/51/921342251.db2.gz XWPXHWKZSBGFPL-HNNXBMFYSA-N 1 1 382.420 3.854 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC001175643039 907655352 /nfs/dbraw/zinc/65/53/52/907655352.db2.gz JLLMFNSTZIGOOW-HXUWFJFHSA-N 1 1 375.469 3.977 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC001176813645 908264370 /nfs/dbraw/zinc/26/43/70/908264370.db2.gz GLAQWPCXYDYKQJ-LIRRHRJNSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CC[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC001176813645 908264384 /nfs/dbraw/zinc/26/43/84/908264384.db2.gz GLAQWPCXYDYKQJ-LIRRHRJNSA-N 1 1 379.432 3.613 20 5 GHBDMO C[C@@H]1CCC[N@H+](CCCCNCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001177299267 908501387 /nfs/dbraw/zinc/50/13/87/908501387.db2.gz MXXATQSZSMNANE-CQSZACIVSA-N 1 1 384.318 3.959 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001177299267 908501392 /nfs/dbraw/zinc/50/13/92/908501392.db2.gz MXXATQSZSMNANE-CQSZACIVSA-N 1 1 384.318 3.959 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000193639476 908586719 /nfs/dbraw/zinc/58/67/19/908586719.db2.gz HPEPNFZFOLXAGP-HNNXBMFYSA-N 1 1 388.855 3.892 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193776762 908701921 /nfs/dbraw/zinc/70/19/21/908701921.db2.gz IYRMVWAPZCBONX-NHCUHLMSSA-N 1 1 395.503 3.802 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000266995396 909360618 /nfs/dbraw/zinc/36/06/18/909360618.db2.gz DKHBPYKROSVXJZ-UHFFFAOYSA-N 1 1 388.468 3.670 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)C1 ZINC000801821785 921523252 /nfs/dbraw/zinc/52/32/52/921523252.db2.gz DEYWWVSOAHGHIY-CYBMUJFWSA-N 1 1 386.427 3.800 20 5 GHBDMO COc1c(O)ccc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c1[N+](=O)[O-] ZINC001180228788 910026064 /nfs/dbraw/zinc/02/60/64/910026064.db2.gz BHMSTSAVSJNIQU-UHFFFAOYSA-N 1 1 386.448 3.738 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1OC ZINC001180521165 910198098 /nfs/dbraw/zinc/19/80/98/910198098.db2.gz JLWPEJKOGAHFCE-HNNXBMFYSA-N 1 1 388.420 3.663 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1OC ZINC001180521165 910198104 /nfs/dbraw/zinc/19/81/04/910198104.db2.gz JLWPEJKOGAHFCE-HNNXBMFYSA-N 1 1 388.420 3.663 20 5 GHBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1OC(F)F ZINC000271610456 910984203 /nfs/dbraw/zinc/98/42/03/910984203.db2.gz KEYHICMYJZSCIY-VXGBXAGGSA-N 1 1 379.363 3.874 20 5 GHBDMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc([N+](=O)[O-])c1C ZINC001182617831 911929909 /nfs/dbraw/zinc/92/99/09/911929909.db2.gz IGAJNRJBVHHJPE-GOSISDBHSA-N 1 1 389.496 3.686 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303777151 915114366 /nfs/dbraw/zinc/11/43/66/915114366.db2.gz RTUKDAQQUFWRNS-MRXNPFEDSA-N 1 1 399.422 3.657 20 5 GHBDMO Cc1cc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000291387115 915148133 /nfs/dbraw/zinc/14/81/33/915148133.db2.gz GADCCZIXQQRYEX-UHFFFAOYSA-N 1 1 388.855 3.790 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CC[N@H+]3C3CCCCCC3)c2c1 ZINC001187362335 915195450 /nfs/dbraw/zinc/19/54/50/915195450.db2.gz WDYACTFKIVXEIJ-MRXNPFEDSA-N 1 1 399.451 3.682 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)c1 ZINC001187430830 915285553 /nfs/dbraw/zinc/28/55/53/915285553.db2.gz QGYPHORHTSNMNB-XMSQKQJNSA-N 1 1 381.476 3.773 20 5 GHBDMO O=C1CCCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000292701320 915805363 /nfs/dbraw/zinc/80/53/63/915805363.db2.gz DGZGHRXBYCPOHV-UHFFFAOYSA-N 1 1 385.386 3.591 20 5 GHBDMO Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000796407636 916613368 /nfs/dbraw/zinc/61/33/68/916613368.db2.gz MRKPWKWKANKPIO-FQEVSTJZSA-N 1 1 385.420 3.757 20 5 GHBDMO Cc1ccccc1OCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001190417600 917325338 /nfs/dbraw/zinc/32/53/38/917325338.db2.gz MFNOQCYBPZPRRO-QGZVFWFLSA-N 1 1 385.464 3.940 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001191531762 918047645 /nfs/dbraw/zinc/04/76/45/918047645.db2.gz VXLMTBMLKJRXGU-MRXNPFEDSA-N 1 1 393.447 3.875 20 5 GHBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001191531762 918047653 /nfs/dbraw/zinc/04/76/53/918047653.db2.gz VXLMTBMLKJRXGU-MRXNPFEDSA-N 1 1 393.447 3.875 20 5 GHBDMO C[C@@H]1C[N@H+](CC2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000118948850 919599605 /nfs/dbraw/zinc/59/96/05/919599605.db2.gz HMFZVAFTCDOBAZ-GASCZTMLSA-N 1 1 381.904 3.569 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000364535034 919600600 /nfs/dbraw/zinc/60/06/00/919600600.db2.gz ZCWRFWLQJDVSFW-DOTOQJQBSA-N 1 1 399.516 3.957 20 5 GHBDMO COc1ccccc1[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[NH+](C)C ZINC000120047859 919681819 /nfs/dbraw/zinc/68/18/19/919681819.db2.gz SMVAFBGKSIIRGA-GOSISDBHSA-N 1 1 386.452 3.645 20 5 GHBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000369853827 923683307 /nfs/dbraw/zinc/68/33/07/923683307.db2.gz SGBUJRAODBMALX-SFHVURJKSA-N 1 1 396.491 3.760 20 5 GHBDMO O=C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(Cl)cc1 ZINC000748819783 923845296 /nfs/dbraw/zinc/84/52/96/923845296.db2.gz NZJTXFRGQPXXOL-UHFFFAOYSA-N 1 1 385.754 3.578 20 5 GHBDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000010975547 924502016 /nfs/dbraw/zinc/50/20/16/924502016.db2.gz XGXWVVCEDANYFG-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000010975547 924502019 /nfs/dbraw/zinc/50/20/19/924502019.db2.gz XGXWVVCEDANYFG-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1F ZINC000409455255 924641679 /nfs/dbraw/zinc/64/16/79/924641679.db2.gz GJJHWNSISMRBIX-UHFFFAOYSA-N 1 1 394.362 3.904 20 5 GHBDMO COC(=O)c1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc(C)c1[N+](=O)[O-] ZINC000409663683 924860422 /nfs/dbraw/zinc/86/04/22/924860422.db2.gz VGHLJCLSSSZWAL-HNNXBMFYSA-N 1 1 398.463 3.607 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000409876233 925085504 /nfs/dbraw/zinc/08/55/04/925085504.db2.gz UNLSHWHBKBFNCA-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000410046633 925271675 /nfs/dbraw/zinc/27/16/75/925271675.db2.gz DEOWFXCEXADXLK-HXUWFJFHSA-N 1 1 381.476 3.798 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000749831366 927303245 /nfs/dbraw/zinc/30/32/45/927303245.db2.gz PPIOLDHJZYOTLB-KXBFYZLASA-N 1 1 384.505 3.792 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000750079123 927424487 /nfs/dbraw/zinc/42/44/87/927424487.db2.gz HGWMGNRRXXXKOK-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000750617256 927755256 /nfs/dbraw/zinc/75/52/56/927755256.db2.gz UFDPIUBQTMAOJP-RBBKRZOGSA-N 1 1 397.475 3.820 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000750618071 927756124 /nfs/dbraw/zinc/75/61/24/927756124.db2.gz ZSILYTWGYAXDBQ-RBBKRZOGSA-N 1 1 397.475 3.820 20 5 GHBDMO C[C@H]1C[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000751034454 927992683 /nfs/dbraw/zinc/99/26/83/927992683.db2.gz AQTSGTXSURJLLK-YJBOKZPZSA-N 1 1 384.505 3.934 20 5 GHBDMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000751558983 928248530 /nfs/dbraw/zinc/24/85/30/928248530.db2.gz LPXWOLMGMVLELB-RXVVDRJESA-N 1 1 397.475 3.902 20 5 GHBDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000466928653 928513719 /nfs/dbraw/zinc/51/37/19/928513719.db2.gz GWRMCJCXHDMOIA-QGZVFWFLSA-N 1 1 383.448 3.769 20 5 GHBDMO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000544480163 929221712 /nfs/dbraw/zinc/22/17/12/929221712.db2.gz NFTLVMMDGJGXJN-JTQLQIEISA-N 1 1 375.429 3.750 20 5 GHBDMO Cc1cc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000753715948 929495982 /nfs/dbraw/zinc/49/59/82/929495982.db2.gz HCWHXYVFOKZASG-WMZOPIPTSA-N 1 1 396.491 3.516 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1Cc1ccccc1 ZINC000544770122 929561236 /nfs/dbraw/zinc/56/12/36/929561236.db2.gz UPRXOJPNBHTQLY-QGZVFWFLSA-N 1 1 392.459 3.813 20 5 GHBDMO CC[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757111460 929650214 /nfs/dbraw/zinc/65/02/14/929650214.db2.gz QQSKKNRYSQFXKG-QAPCUYQASA-N 1 1 393.484 3.599 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000470168370 930425841 /nfs/dbraw/zinc/42/58/41/930425841.db2.gz ZWFIVWSFLCGBQY-HXUWFJFHSA-N 1 1 387.455 3.549 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000470178280 930434999 /nfs/dbraw/zinc/43/49/99/930434999.db2.gz XUSLERIDDGVCAB-SAPNQHFASA-N 1 1 397.450 3.985 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000470178280 930435002 /nfs/dbraw/zinc/43/50/02/930435002.db2.gz XUSLERIDDGVCAB-SAPNQHFASA-N 1 1 397.450 3.985 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470808161 930928773 /nfs/dbraw/zinc/92/87/73/930928773.db2.gz MHRSJMJJFSYOPE-GJZGRUSLSA-N 1 1 398.891 3.749 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470808161 930928779 /nfs/dbraw/zinc/92/87/79/930928779.db2.gz MHRSJMJJFSYOPE-GJZGRUSLSA-N 1 1 398.891 3.749 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2SC)c([N+](=O)[O-])c1 ZINC000471012032 931093404 /nfs/dbraw/zinc/09/34/04/931093404.db2.gz LOVNIAGDAAILJC-UHFFFAOYSA-N 1 1 389.477 3.786 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782510967 931247908 /nfs/dbraw/zinc/24/79/08/931247908.db2.gz PMNCOKAKPVEBCE-AWEZNQCLSA-N 1 1 375.375 3.691 20 5 GHBDMO CN(c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000557715042 931628365 /nfs/dbraw/zinc/62/83/65/931628365.db2.gz PRYSWAQWCRLXFT-JWTNVVGKSA-N 1 1 382.464 3.630 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000784008812 931754260 /nfs/dbraw/zinc/75/42/60/931754260.db2.gz INQJYLRHNAIPRC-GUYCJALGSA-N 1 1 383.404 3.552 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000784008812 931754265 /nfs/dbraw/zinc/75/42/65/931754265.db2.gz INQJYLRHNAIPRC-GUYCJALGSA-N 1 1 383.404 3.552 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@@H](Oc4cccc(F)c4)C3)c2)cc1 ZINC000784026970 931759942 /nfs/dbraw/zinc/75/99/42/931759942.db2.gz FQVYWYLHPROYTG-HXUWFJFHSA-N 1 1 382.395 3.708 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@@H](Oc4cccc(F)c4)C3)c2)cc1 ZINC000784026970 931759948 /nfs/dbraw/zinc/75/99/48/931759948.db2.gz FQVYWYLHPROYTG-HXUWFJFHSA-N 1 1 382.395 3.708 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000558063657 931823107 /nfs/dbraw/zinc/82/31/07/931823107.db2.gz RMEDRJZLZSHSPH-NRFANRHFSA-N 1 1 395.459 3.502 20 5 GHBDMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742282 932206109 /nfs/dbraw/zinc/20/61/09/932206109.db2.gz YEAHWIGIDQRXQP-CYBMUJFWSA-N 1 1 384.461 3.706 20 5 GHBDMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742282 932206113 /nfs/dbraw/zinc/20/61/13/932206113.db2.gz YEAHWIGIDQRXQP-CYBMUJFWSA-N 1 1 384.461 3.706 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000558863974 932281617 /nfs/dbraw/zinc/28/16/17/932281617.db2.gz JPZHZHQOKNRFCX-HXUWFJFHSA-N 1 1 389.402 3.942 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000558863974 932281625 /nfs/dbraw/zinc/28/16/25/932281625.db2.gz JPZHZHQOKNRFCX-HXUWFJFHSA-N 1 1 389.402 3.942 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000927112471 932417038 /nfs/dbraw/zinc/41/70/38/932417038.db2.gz NYXRFGZLAPYUKC-SFTDATJTSA-N 1 1 392.459 3.711 20 5 GHBDMO C[C@@]1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798526874 932691362 /nfs/dbraw/zinc/69/13/62/932691362.db2.gz JBQYSAIEMAJLOC-QFIPXVFZSA-N 1 1 393.443 3.983 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000799156995 932891399 /nfs/dbraw/zinc/89/13/99/932891399.db2.gz NDMMDEQPCWOGDS-DVMWJLJYSA-N 1 1 384.480 3.677 20 5 GHBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000560175101 933111136 /nfs/dbraw/zinc/11/11/36/933111136.db2.gz MTQQUPUEVTYMEW-UHFFFAOYSA-N 1 1 396.291 3.961 20 5 GHBDMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116187174 933393173 /nfs/dbraw/zinc/39/31/73/933393173.db2.gz GDSPSLCCSZOYMC-FQEVSTJZSA-N 1 1 383.423 3.631 20 5 GHBDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116187174 933393182 /nfs/dbraw/zinc/39/31/82/933393182.db2.gz GDSPSLCCSZOYMC-FQEVSTJZSA-N 1 1 383.423 3.631 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)c([N+](=O)[O-])c1 ZINC001116340474 933493754 /nfs/dbraw/zinc/49/37/54/933493754.db2.gz SFBKYPJJJHBARS-JTSKRJEESA-N 1 1 395.459 3.943 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)c([N+](=O)[O-])c1 ZINC001116340474 933493782 /nfs/dbraw/zinc/49/37/82/933493782.db2.gz SFBKYPJJJHBARS-JTSKRJEESA-N 1 1 395.459 3.943 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC001116718411 933719667 /nfs/dbraw/zinc/71/96/67/933719667.db2.gz WMHGHRYSMXBJET-UHFFFAOYSA-N 1 1 382.464 3.951 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)cc1 ZINC000777955910 934384204 /nfs/dbraw/zinc/38/42/04/934384204.db2.gz BVDXTFKYCZUCDU-SFHVURJKSA-N 1 1 378.432 3.914 20 5 GHBDMO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC001120918709 934535987 /nfs/dbraw/zinc/53/59/87/934535987.db2.gz WRWIQKUENYDPHB-OAHLLOKOSA-N 1 1 397.479 3.815 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](Cc4nccs4)C3)n2)c1 ZINC000932202235 934848876 /nfs/dbraw/zinc/84/88/76/934848876.db2.gz HVWUHGRQMQUMDK-ZDUSSCGKSA-N 1 1 385.449 3.556 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](Cc4nccs4)C3)n2)c1 ZINC000932202235 934848881 /nfs/dbraw/zinc/84/88/81/934848881.db2.gz HVWUHGRQMQUMDK-ZDUSSCGKSA-N 1 1 385.449 3.556 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2c2cncc(Br)c2)c1 ZINC000932250736 934859915 /nfs/dbraw/zinc/85/99/15/934859915.db2.gz DTGGXLODPUORNJ-DLBZAZTESA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2c2cncc(Br)c2)c1 ZINC000932250736 934859920 /nfs/dbraw/zinc/85/99/20/934859920.db2.gz DTGGXLODPUORNJ-DLBZAZTESA-N 1 1 392.253 3.623 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001625815990 1014200735 /nfs/dbraw/zinc/20/07/35/1014200735.db2.gz BIPNWTRHRVACSQ-OAHLLOKOSA-N 1 1 381.904 3.952 20 5 GHBDMO CCOc1cc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC001625998778 1014667432 /nfs/dbraw/zinc/66/74/32/1014667432.db2.gz HZLDUYVVDJTSCV-QGZVFWFLSA-N 1 1 390.484 3.912 20 5 GHBDMO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000545556710 1016031296 /nfs/dbraw/zinc/03/12/96/1016031296.db2.gz BGFRLIJEDVMPRE-UHFFFAOYSA-N 1 1 383.448 3.688 20 5 GHBDMO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000545556710 1016031306 /nfs/dbraw/zinc/03/13/06/1016031306.db2.gz BGFRLIJEDVMPRE-UHFFFAOYSA-N 1 1 383.448 3.688 20 5 GHBDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000469117606 1016512772 /nfs/dbraw/zinc/51/27/72/1016512772.db2.gz YCFBFJAHWLSODN-KRWDZBQOSA-N 1 1 385.464 3.885 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001227044560 1032249707 /nfs/dbraw/zinc/24/97/07/1032249707.db2.gz OFXXTGDRWBKZPH-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001227044560 1032249718 /nfs/dbraw/zinc/24/97/18/1032249718.db2.gz OFXXTGDRWBKZPH-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094430 1032268280 /nfs/dbraw/zinc/26/82/80/1032268280.db2.gz AZELEEWCSJTAPR-KUHUBIRLSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094430 1032268295 /nfs/dbraw/zinc/26/82/95/1032268295.db2.gz AZELEEWCSJTAPR-KUHUBIRLSA-N 1 1 394.431 3.533 20 5 GHBDMO CCOC(=O)c1ccc(O[C@@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001227301946 1032363304 /nfs/dbraw/zinc/36/33/04/1032363304.db2.gz SALYCPVJBPCOJE-DOTOQJQBSA-N 1 1 399.447 3.771 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001227338063 1032380418 /nfs/dbraw/zinc/38/04/18/1032380418.db2.gz IXSIQPQJIKNKLX-IUODEOHRSA-N 1 1 376.844 3.636 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227690556 1032517919 /nfs/dbraw/zinc/51/79/19/1032517919.db2.gz INPKWOQVGUZONL-INIZCTEOSA-N 1 1 381.436 3.546 20 5 GHBDMO COC(=O)c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001227897458 1032677105 /nfs/dbraw/zinc/67/71/05/1032677105.db2.gz QCVQFZJDCCUKGJ-QAPCUYQASA-N 1 1 384.432 3.671 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000561112713 1017793730 /nfs/dbraw/zinc/79/37/30/1017793730.db2.gz CQGAHMBJWVBONF-UHFFFAOYSA-N 1 1 388.427 3.734 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000561281659 1017828875 /nfs/dbraw/zinc/82/88/75/1017828875.db2.gz GXIPFRYVJIMTSE-UHFFFAOYSA-N 1 1 393.365 3.570 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)c2ncc(F)cc2[N+](=O)[O-])cc1 ZINC001156293832 1032962564 /nfs/dbraw/zinc/96/25/64/1032962564.db2.gz IFONVSKDBZNOKR-KRWDZBQOSA-N 1 1 388.443 3.628 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC2CC2)c(OC)c1 ZINC000800500792 1021310269 /nfs/dbraw/zinc/31/02/69/1021310269.db2.gz GFMBNWWNTRQELZ-HXUWFJFHSA-N 1 1 386.448 3.558 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)nc21 ZINC001156317287 1032980891 /nfs/dbraw/zinc/98/08/91/1032980891.db2.gz KYFBNPYZINKFIK-IXDOHACOSA-N 1 1 377.448 3.794 20 5 GHBDMO Cc1[nH]c(=O)cc(O[C@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC001228689362 1033047088 /nfs/dbraw/zinc/04/70/88/1033047088.db2.gz SJDXRPGSDJKMBJ-LBPRGKRZSA-N 1 1 398.246 3.964 20 5 GHBDMO Cc1[nH]c(=O)cc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC001228689362 1033047099 /nfs/dbraw/zinc/04/70/99/1033047099.db2.gz SJDXRPGSDJKMBJ-LBPRGKRZSA-N 1 1 398.246 3.964 20 5 GHBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])sc2C1 ZINC000836254560 1022778551 /nfs/dbraw/zinc/77/85/51/1022778551.db2.gz VYXINIMMAUMGNA-UHFFFAOYSA-N 1 1 380.857 3.643 20 5 GHBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])sc2C1 ZINC000836254560 1022778562 /nfs/dbraw/zinc/77/85/62/1022778562.db2.gz VYXINIMMAUMGNA-UHFFFAOYSA-N 1 1 380.857 3.643 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000836343382 1022902356 /nfs/dbraw/zinc/90/23/56/1022902356.db2.gz QEJFJOKEBXQJSE-CQSZACIVSA-N 1 1 387.867 3.733 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000755031062 1023032559 /nfs/dbraw/zinc/03/25/59/1023032559.db2.gz SEDPZZSLRKMKBS-YPMHNXCESA-N 1 1 399.289 3.694 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000755782155 1023376250 /nfs/dbraw/zinc/37/62/50/1023376250.db2.gz JEUFCRSTIVCRJA-QGZVFWFLSA-N 1 1 384.432 3.672 20 5 GHBDMO C[NH+](C)CC[C@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])c1cccs1 ZINC001228862123 1033144570 /nfs/dbraw/zinc/14/45/70/1033144570.db2.gz KTUPMPLYBMXWSI-JTQLQIEISA-N 1 1 391.371 3.848 20 5 GHBDMO N[C@H]1C[C@@H](O)C[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958479 1033183676 /nfs/dbraw/zinc/18/36/76/1033183676.db2.gz WPBHQQSSRPJEPP-LSDHHAIUSA-N 1 1 384.483 3.850 20 5 GHBDMO N[C@H]1C[C@@H](O)C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958479 1033183682 /nfs/dbraw/zinc/18/36/82/1033183682.db2.gz WPBHQQSSRPJEPP-LSDHHAIUSA-N 1 1 384.483 3.850 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000831539377 1024627018 /nfs/dbraw/zinc/62/70/18/1024627018.db2.gz QNPWSQDMCMHLIV-AWEZNQCLSA-N 1 1 381.392 3.759 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000831539377 1024627027 /nfs/dbraw/zinc/62/70/27/1024627027.db2.gz QNPWSQDMCMHLIV-AWEZNQCLSA-N 1 1 381.392 3.759 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001229059282 1033254614 /nfs/dbraw/zinc/25/46/14/1033254614.db2.gz LRSNQXFZLABIBJ-LFUKPOHLSA-N 1 1 396.443 3.671 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001229059841 1033256108 /nfs/dbraw/zinc/25/61/08/1033256108.db2.gz WPQQBJBFFXWCCZ-KXBFYZLASA-N 1 1 384.432 3.671 20 5 GHBDMO CCn1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(-c2ccccc2)n1 ZINC001205157071 1033277878 /nfs/dbraw/zinc/27/78/78/1033277878.db2.gz UNIKTNVUDIQCHS-UHFFFAOYSA-N 1 1 391.475 3.800 20 5 GHBDMO COc1ccc([C@H](CCO)[NH2+]Cc2cccc([N+](=O)[O-])c2Br)cc1 ZINC000839538273 1026027477 /nfs/dbraw/zinc/02/74/77/1026027477.db2.gz CCUKDGJCBPOAEO-HNNXBMFYSA-N 1 1 395.253 3.579 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001163657435 1026269491 /nfs/dbraw/zinc/26/94/91/1026269491.db2.gz YZLZCWRYDIMAFB-WOJBJXKFSA-N 1 1 387.867 3.728 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001139622902 1026489830 /nfs/dbraw/zinc/48/98/30/1026489830.db2.gz SJPVUAFBTHFUSA-RBUKOAKNSA-N 1 1 376.416 3.509 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)cn21 ZINC001164493660 1026532212 /nfs/dbraw/zinc/53/22/12/1026532212.db2.gz VRCFUKUFSJVCRY-BHIYHBOVSA-N 1 1 377.448 3.565 20 5 GHBDMO CC1=CC[N@@H+](CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC001139722041 1026564381 /nfs/dbraw/zinc/56/43/81/1026564381.db2.gz NHVIHVCWAPBCRR-UHFFFAOYSA-N 1 1 380.448 3.720 20 5 GHBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001165059656 1026579680 /nfs/dbraw/zinc/57/96/80/1026579680.db2.gz GDGCRCIZGHFTOG-UHFFFAOYSA-N 1 1 397.866 3.556 20 5 GHBDMO CC(C)[N@H+]1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C[C@H]1C ZINC001165201947 1026663323 /nfs/dbraw/zinc/66/33/23/1026663323.db2.gz SKGYYXJRXUFFCS-CYBMUJFWSA-N 1 1 375.860 3.624 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N2CCC3(CC(OCC4CC4)C3)CC2)ncc1[N+](=O)[O-] ZINC001166372057 1026988069 /nfs/dbraw/zinc/98/80/69/1026988069.db2.gz GSNGATBALAENGH-VMPITWQZSA-N 1 1 386.496 3.698 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cn3ccc(-c4ccc(F)cn4)n3)C2)cc1 ZINC000840121797 1027242768 /nfs/dbraw/zinc/24/27/68/1027242768.db2.gz BLNVVUJZZMVTBL-MRXNPFEDSA-N 1 1 381.411 3.830 20 5 GHBDMO CC1(C)C(=O)N(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[C@H]1c1ccncc1 ZINC000840125884 1027250034 /nfs/dbraw/zinc/25/00/34/1027250034.db2.gz QBNUSAQMDKRBRE-QUCCMNQESA-N 1 1 394.475 3.736 20 5 GHBDMO CC1(C)C(=O)N(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[C@H]1c1ccncc1 ZINC000840125884 1027250053 /nfs/dbraw/zinc/25/00/53/1027250053.db2.gz QBNUSAQMDKRBRE-QUCCMNQESA-N 1 1 394.475 3.736 20 5 GHBDMO C[NH+]1CCC(COc2ccc(F)cc2Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC001210399353 1027490810 /nfs/dbraw/zinc/49/08/10/1027490810.db2.gz RKZHLBKJUWHOAP-UHFFFAOYSA-N 1 1 375.400 3.904 20 5 GHBDMO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001141891524 1027603081 /nfs/dbraw/zinc/60/30/81/1027603081.db2.gz WQRIEJWLJSQCNZ-FOIQADDNSA-N 1 1 385.439 3.966 20 5 GHBDMO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001141891524 1027603085 /nfs/dbraw/zinc/60/30/85/1027603085.db2.gz WQRIEJWLJSQCNZ-FOIQADDNSA-N 1 1 385.439 3.966 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001142263527 1028522353 /nfs/dbraw/zinc/52/23/53/1028522353.db2.gz DFKUGRMKSXOWFE-GOSISDBHSA-N 1 1 385.489 3.882 20 5 GHBDMO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001142263748 1028522604 /nfs/dbraw/zinc/52/26/04/1028522604.db2.gz GDJKUUJXQVJDKO-QGZVFWFLSA-N 1 1 394.456 3.505 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC001216391046 1029624414 /nfs/dbraw/zinc/62/44/14/1029624414.db2.gz UYSDGFBXVXFDRG-VXGBXAGGSA-N 1 1 399.289 3.742 20 5 GHBDMO Cc1cc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc([N+](=O)[O-])c1C ZINC001217097743 1030160007 /nfs/dbraw/zinc/16/00/07/1030160007.db2.gz WOULJHDEOCVVKE-UHFFFAOYSA-N 1 1 394.431 3.761 20 5 GHBDMO COC(=O)c1c(CO[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001223292926 1030513227 /nfs/dbraw/zinc/51/32/27/1030513227.db2.gz DLNBCLMHFLWWOD-JXFKEZNVSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1ccc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001223414317 1030564544 /nfs/dbraw/zinc/56/45/44/1030564544.db2.gz BYNBCEAWIRGNSI-KKSFZXQISA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1cc(CO[C@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)cc([N+](=O)[O-])c1 ZINC001223692217 1030707142 /nfs/dbraw/zinc/70/71/42/1030707142.db2.gz ZGWRNDYTBXIAGT-BEFAXECRSA-N 1 1 399.447 3.519 20 5 GHBDMO COc1cc(CO[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC001223907491 1030802924 /nfs/dbraw/zinc/80/29/24/1030802924.db2.gz RSPUHGKBXJGFDF-INIZCTEOSA-N 1 1 387.436 3.501 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4CCC5(C[NH2+]C5)C4)ccc3c21 ZINC001218233791 1030842377 /nfs/dbraw/zinc/84/23/77/1030842377.db2.gz AEPYYOVAYVSRCV-AWEZNQCLSA-N 1 1 377.396 3.919 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001461724483 1069703996 /nfs/dbraw/zinc/70/39/96/1069703996.db2.gz QNBMZIPOWHAIPK-VPAPRSNLSA-N 1 1 393.487 3.977 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCO[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001224778451 1031116568 /nfs/dbraw/zinc/11/65/68/1031116568.db2.gz LOJHRADZJPBICQ-YUXAGFNASA-N 1 1 382.460 3.901 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001225451324 1031422485 /nfs/dbraw/zinc/42/24/85/1031422485.db2.gz QOHMMWINPCFDPH-DNVCBOLYSA-N 1 1 384.432 3.671 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3cc(F)c(F)cc3[N+](=O)[O-])[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001225776767 1031598690 /nfs/dbraw/zinc/59/86/90/1031598690.db2.gz XNDDPYHYCZVYGO-IRWQIABSSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3cc(F)c(F)cc3[N+](=O)[O-])[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001225776767 1031598695 /nfs/dbraw/zinc/59/86/95/1031598695.db2.gz XNDDPYHYCZVYGO-IRWQIABSSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3cc(F)c(F)cc3[N+](=O)[O-])[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001225776765 1031598734 /nfs/dbraw/zinc/59/87/34/1031598734.db2.gz XNDDPYHYCZVYGO-BOFPYLFWSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3cc(F)c(F)cc3[N+](=O)[O-])[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001225776765 1031598743 /nfs/dbraw/zinc/59/87/43/1031598743.db2.gz XNDDPYHYCZVYGO-BOFPYLFWSA-N 1 1 388.370 3.626 20 5 GHBDMO Cc1c(NC(=O)N2CC[N@H+](C)C(C)(C)CC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001220233766 1031850975 /nfs/dbraw/zinc/85/09/75/1031850975.db2.gz ZDKVDTDNONIMON-UHFFFAOYSA-N 1 1 388.390 3.870 20 5 GHBDMO COC(=O)Cc1ccc(O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001226215579 1031856652 /nfs/dbraw/zinc/85/66/52/1031856652.db2.gz ZJUQDFARTSXASZ-IIBYNOLFSA-N 1 1 398.459 3.600 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2COCC[N@@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC001226312768 1031912613 /nfs/dbraw/zinc/91/26/13/1031912613.db2.gz CGEWBGQWNUWDMI-MRXNPFEDSA-N 1 1 396.365 3.893 20 5 GHBDMO C[N@@H+](CCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC001220634077 1032031761 /nfs/dbraw/zinc/03/17/61/1032031761.db2.gz SKTZIKKTBQOVML-UHFFFAOYSA-N 1 1 396.919 3.745 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCNc1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001156926288 1033323355 /nfs/dbraw/zinc/32/33/55/1033323355.db2.gz WENMBTIGSDQSRK-VIFPVBQESA-N 1 1 381.786 3.733 20 5 GHBDMO CC[C@@H](COc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21)OC ZINC001229806933 1033730800 /nfs/dbraw/zinc/73/08/00/1033730800.db2.gz CQNLXOSQQDSCPT-INIZCTEOSA-N 1 1 381.476 3.692 20 5 GHBDMO Cc1cc(=O)oc2c1ccc(O[C@@H]1CC[N@H+]([C@H](C)c3ccccn3)C1)c2[N+](=O)[O-] ZINC001229945729 1033807903 /nfs/dbraw/zinc/80/79/03/1033807903.db2.gz BQODUMGJTSGWIK-HUUCEWRRSA-N 1 1 395.415 3.619 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cccc(Br)c2[N+](=O)[O-])C1 ZINC001230326585 1033998774 /nfs/dbraw/zinc/99/87/74/1033998774.db2.gz PNTUJLZTFLMEPR-QWHCGFSZSA-N 1 1 392.253 3.967 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1c1ccc(Cl)cc1F ZINC001207102386 1034093734 /nfs/dbraw/zinc/09/37/34/1034093734.db2.gz OMHGJTAMWOOTGF-CQSZACIVSA-N 1 1 398.221 3.936 20 5 GHBDMO CCOC(=O)c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001230913352 1034284438 /nfs/dbraw/zinc/28/44/38/1034284438.db2.gz VOVNIMMEJNGISK-GOSISDBHSA-N 1 1 384.432 3.815 20 5 GHBDMO CCOC(=O)c1ccc(OC2CCN(c3ccc(C)c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC001230918339 1034286620 /nfs/dbraw/zinc/28/66/20/1034286620.db2.gz OHFHYOASMOPFIA-UHFFFAOYSA-N 1 1 385.420 3.523 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231052847 1034367236 /nfs/dbraw/zinc/36/72/36/1034367236.db2.gz FTYKPIIEIYJLAW-KXBFYZLASA-N 1 1 378.432 3.827 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231056490 1034369925 /nfs/dbraw/zinc/36/99/25/1034369925.db2.gz SSJVBVMDDMSFAT-HUUCEWRRSA-N 1 1 379.420 3.537 20 5 GHBDMO COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)c1 ZINC001232229032 1035173188 /nfs/dbraw/zinc/17/31/88/1035173188.db2.gz XYNDCSRRRFRKKZ-FQEVSTJZSA-N 1 1 386.455 3.840 20 5 GHBDMO C[C@@H]1C[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001461984809 1069929839 /nfs/dbraw/zinc/92/98/39/1069929839.db2.gz XFIBGMREGIHMJJ-HZPDHXFCSA-N 1 1 389.496 3.989 20 5 GHBDMO Cc1cc2ccccc2nc1-c1noc([C@@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001248212765 1035644313 /nfs/dbraw/zinc/64/43/13/1035644313.db2.gz ZRQVOZOWLBFXHT-INIZCTEOSA-N 1 1 375.388 3.744 20 5 GHBDMO C[NH+]1CCN(C(=O)c2cccc(-c3ncnc4cc5ccccc5cc43)c2)CC1 ZINC001241877039 1035734320 /nfs/dbraw/zinc/73/43/20/1035734320.db2.gz DQLKLZRBGIXJRD-UHFFFAOYSA-N 1 1 382.467 3.838 20 5 GHBDMO COc1ccc(C[C@H](C)[NH+]2CCC3(CC2)NCc2ccccc23)c([N+](=O)[O-])c1 ZINC001247016445 1037840370 /nfs/dbraw/zinc/84/03/70/1037840370.db2.gz VJPLFGDMFWAWEC-INIZCTEOSA-N 1 1 381.476 3.629 20 5 GHBDMO COC(=O)COc1ccccc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001462254733 1070122737 /nfs/dbraw/zinc/12/27/37/1070122737.db2.gz ITXIZCUMLNXMSJ-QGZVFWFLSA-N 1 1 384.432 3.526 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001233578362 1039455112 /nfs/dbraw/zinc/45/51/12/1039455112.db2.gz QXRSULJWHXOMLO-AWEZNQCLSA-N 1 1 375.356 3.686 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001233578362 1039455117 /nfs/dbraw/zinc/45/51/17/1039455117.db2.gz QXRSULJWHXOMLO-AWEZNQCLSA-N 1 1 375.356 3.686 20 5 GHBDMO C[C@H](Oc1c2cccnc2ccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233778091 1039609261 /nfs/dbraw/zinc/60/92/61/1039609261.db2.gz FXYQOWIHULODNT-KKSFZXQISA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@H](Oc1c2cccnc2ccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233778091 1039609269 /nfs/dbraw/zinc/60/92/69/1039609269.db2.gz FXYQOWIHULODNT-KKSFZXQISA-N 1 1 393.443 3.811 20 5 GHBDMO CC(=O)Nc1ccc(C(C)=O)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC001234684229 1040216125 /nfs/dbraw/zinc/21/61/25/1040216125.db2.gz PLYRQMLOTLWDSA-ZSHCYNCHSA-N 1 1 389.452 3.538 20 5 GHBDMO CC[C@H](C)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C ZINC001254467661 1040253704 /nfs/dbraw/zinc/25/37/04/1040253704.db2.gz DTNVSMVEKFNMHB-KXBFYZLASA-N 1 1 391.512 3.910 20 5 GHBDMO NC1(c2ccccc2F)CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254469921 1040255655 /nfs/dbraw/zinc/25/56/55/1040255655.db2.gz CATWQCVUGJVZRN-UHFFFAOYSA-N 1 1 398.482 3.653 20 5 GHBDMO CCOC(=O)[C@H]([NH3+])Cc1cn([C@H](C)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC001254538468 1040309773 /nfs/dbraw/zinc/30/97/73/1040309773.db2.gz VTAJKRJCCFORHJ-DNVCBOLYSA-N 1 1 395.459 3.786 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(CC3CC3)c21 ZINC001254554510 1040322170 /nfs/dbraw/zinc/32/21/70/1040322170.db2.gz BCZWYSUPUOJECP-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(CC3CC3)c21 ZINC001254554510 1040322184 /nfs/dbraw/zinc/32/21/84/1040322184.db2.gz BCZWYSUPUOJECP-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(Br)ccc(N)c2C1 ZINC001254565292 1040341055 /nfs/dbraw/zinc/34/10/55/1040341055.db2.gz OAXCTPUDHOTYIW-LBPRGKRZSA-N 1 1 390.281 3.929 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(Br)ccc(N)c2C1 ZINC001254565292 1040341067 /nfs/dbraw/zinc/34/10/67/1040341067.db2.gz OAXCTPUDHOTYIW-LBPRGKRZSA-N 1 1 390.281 3.929 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612375 1040383336 /nfs/dbraw/zinc/38/33/36/1040383336.db2.gz VSUGXHPETBLRIQ-RXVVDRJESA-N 1 1 389.496 3.689 20 5 GHBDMO CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612809 1040384250 /nfs/dbraw/zinc/38/42/50/1040384250.db2.gz ZEMQBJOJCOYCIP-HNAYVOBHSA-N 1 1 389.496 3.641 20 5 GHBDMO OC[C@H]1CNCC[N@H+]1Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c21 ZINC001235440203 1040939751 /nfs/dbraw/zinc/93/97/51/1040939751.db2.gz GYTJDXGDCHGJIX-OAHLLOKOSA-N 1 1 384.483 3.722 20 5 GHBDMO OC[C@H]1C[NH2+]CCN1Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c21 ZINC001235440203 1040939754 /nfs/dbraw/zinc/93/97/54/1040939754.db2.gz GYTJDXGDCHGJIX-OAHLLOKOSA-N 1 1 384.483 3.722 20 5 GHBDMO O=[N+]([O-])c1ccccc1CCc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255377975 1040969497 /nfs/dbraw/zinc/96/94/97/1040969497.db2.gz XHKDQULXYZCFMG-SFHVURJKSA-N 1 1 378.432 3.753 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255437555 1041035612 /nfs/dbraw/zinc/03/56/12/1041035612.db2.gz MGNQHTDYFFPZJM-QGZVFWFLSA-N 1 1 378.432 3.867 20 5 GHBDMO COc1cccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1[N+](=O)[O-] ZINC001255486868 1041083204 /nfs/dbraw/zinc/08/32/04/1041083204.db2.gz LAKPKRQWSMXRHR-HNNXBMFYSA-N 1 1 380.404 3.643 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@H]3c3cc(C)on3)CC2)ccc1[N+](=O)[O-] ZINC001256094596 1041523534 /nfs/dbraw/zinc/52/35/34/1041523534.db2.gz MTZSDTISXJIIQX-SFHVURJKSA-N 1 1 386.452 3.706 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CC[C@H](Oc4ccccc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099127 1041527559 /nfs/dbraw/zinc/52/75/59/1041527559.db2.gz JRVDCLFXQPWMSQ-FQEVSTJZSA-N 1 1 397.475 3.726 20 5 GHBDMO COc1cc(N2CCC([N@@H+]3Cc4cnc(Cl)cc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256103962 1041531443 /nfs/dbraw/zinc/53/14/43/1041531443.db2.gz SGAYYAAARIXDQH-UHFFFAOYSA-N 1 1 388.855 3.636 20 5 GHBDMO COc1cc(N2CCC([N@H+]3Cc4cnc(Cl)cc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256103962 1041531460 /nfs/dbraw/zinc/53/14/60/1041531460.db2.gz SGAYYAAARIXDQH-UHFFFAOYSA-N 1 1 388.855 3.636 20 5 GHBDMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C)C1 ZINC001291113126 1043085039 /nfs/dbraw/zinc/08/50/39/1043085039.db2.gz XSAUWGMPHSDENE-DLBZAZTESA-N 1 1 398.511 3.574 20 5 GHBDMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C1CC1 ZINC001291760907 1043449425 /nfs/dbraw/zinc/44/94/25/1043449425.db2.gz OMWVOVFEVDANEL-HNNXBMFYSA-N 1 1 386.500 3.572 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001292032210 1043570594 /nfs/dbraw/zinc/57/05/94/1043570594.db2.gz ZPZHYFKSZJISOV-UHFFFAOYSA-N 1 1 384.480 3.523 20 5 GHBDMO C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC001293470984 1044199581 /nfs/dbraw/zinc/19/95/81/1044199581.db2.gz RMKMPZWZERBMJQ-GFCCVEGCSA-N 1 1 379.819 3.638 20 5 GHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC1)C(C)C ZINC001295828437 1045157322 /nfs/dbraw/zinc/15/73/22/1045157322.db2.gz YXHBDMCLIKJJTP-UHFFFAOYSA-N 1 1 386.500 3.572 20 5 GHBDMO CC[C@@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC001296188581 1045277154 /nfs/dbraw/zinc/27/71/54/1045277154.db2.gz LSLMSDRKNJYXFW-FUHWJXTLSA-N 1 1 399.466 3.960 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001297647219 1045596720 /nfs/dbraw/zinc/59/67/20/1045596720.db2.gz RTZLBVNRLZEQRV-OAQYLSRUSA-N 1 1 399.466 3.790 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001297647219 1045596726 /nfs/dbraw/zinc/59/67/26/1045596726.db2.gz RTZLBVNRLZEQRV-OAQYLSRUSA-N 1 1 399.466 3.790 20 5 GHBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001261237120 1045934602 /nfs/dbraw/zinc/93/46/02/1045934602.db2.gz HVVOLGZUDPOGJW-ZDUSSCGKSA-N 1 1 382.386 3.802 20 5 GHBDMO CNc1c(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001302340269 1046914784 /nfs/dbraw/zinc/91/47/84/1046914784.db2.gz OKEWJFHPOZQWCJ-SFHVURJKSA-N 1 1 396.491 3.811 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1C1CCCC1 ZINC001303540775 1047420367 /nfs/dbraw/zinc/42/03/67/1047420367.db2.gz UQBUBEHHIJXODT-LBPRGKRZSA-N 1 1 385.386 3.703 20 5 GHBDMO Cc1ccc(NCCCCN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001306935529 1048967335 /nfs/dbraw/zinc/96/73/35/1048967335.db2.gz PNXKCZWCANZBRS-UHFFFAOYSA-N 1 1 382.508 3.913 20 5 GHBDMO CCc1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307126561 1049091191 /nfs/dbraw/zinc/09/11/91/1049091191.db2.gz XVVIHSGXXHSBME-INIZCTEOSA-N 1 1 395.507 3.925 20 5 GHBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001307545532 1049389578 /nfs/dbraw/zinc/38/95/78/1049389578.db2.gz XNJINSHSBZJXBI-DLBZAZTESA-N 1 1 381.448 3.588 20 5 GHBDMO C[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001289347219 1049433356 /nfs/dbraw/zinc/43/33/56/1049433356.db2.gz HTALRZUKPHFGCU-UGSOOPFHSA-N 1 1 375.856 3.771 20 5 GHBDMO CCCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC001307769314 1049580010 /nfs/dbraw/zinc/58/00/10/1049580010.db2.gz HBEAMHHDTUSOSN-IEBWSBKVSA-N 1 1 393.484 3.602 20 5 GHBDMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc([N+](=O)[O-])s1 ZINC001289683768 1049590228 /nfs/dbraw/zinc/59/02/28/1049590228.db2.gz PANCBEOMRGNPRU-IXDOHACOSA-N 1 1 385.489 3.687 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001290012516 1049709159 /nfs/dbraw/zinc/70/91/59/1049709159.db2.gz AJGGIVCBEXAJCV-KRWDZBQOSA-N 1 1 375.856 3.898 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC001308105168 1049851623 /nfs/dbraw/zinc/85/16/23/1049851623.db2.gz YCSZELOHZWFFCF-UHFFFAOYSA-N 1 1 384.432 3.932 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308807423 1050102534 /nfs/dbraw/zinc/10/25/34/1050102534.db2.gz PMFLRVNYIQVCEL-UHFFFAOYSA-N 1 1 379.382 3.930 20 5 GHBDMO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CS1(=O)=O ZINC001329558722 1050842704 /nfs/dbraw/zinc/84/27/04/1050842704.db2.gz UZLJOFGTTWAEAD-YPMHNXCESA-N 1 1 398.868 3.564 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001310261509 1051255057 /nfs/dbraw/zinc/25/50/57/1051255057.db2.gz JHDKEDINGAUHAI-SUMWQHHRSA-N 1 1 388.855 3.890 20 5 GHBDMO O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331657859 1051345059 /nfs/dbraw/zinc/34/50/59/1051345059.db2.gz AGWTUZIBSYRYRW-LJQANCHMSA-N 1 1 385.851 3.755 20 5 GHBDMO O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331657859 1051345069 /nfs/dbraw/zinc/34/50/69/1051345069.db2.gz AGWTUZIBSYRYRW-LJQANCHMSA-N 1 1 385.851 3.755 20 5 GHBDMO CC[C@H](NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001312432547 1052740817 /nfs/dbraw/zinc/74/08/17/1052740817.db2.gz BZMXRQSFNLQDOZ-UXHICEINSA-N 1 1 382.464 3.620 20 5 GHBDMO CN1CC[NH+](C(C)(C)CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001317765110 1054250614 /nfs/dbraw/zinc/25/06/14/1054250614.db2.gz JOECKQHQWSSIFX-UHFFFAOYSA-N 1 1 394.825 3.705 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001318598734 1054740688 /nfs/dbraw/zinc/74/06/88/1054740688.db2.gz GMMFLNYFUAMGAY-IBGZPJMESA-N 1 1 383.448 3.905 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001318598734 1054740702 /nfs/dbraw/zinc/74/07/02/1054740702.db2.gz GMMFLNYFUAMGAY-IBGZPJMESA-N 1 1 383.448 3.905 20 5 GHBDMO COCCN1CCC([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001318622141 1054755422 /nfs/dbraw/zinc/75/54/22/1054755422.db2.gz YCCRIADSJNFFQD-UHFFFAOYSA-N 1 1 393.871 3.709 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC001318792458 1054876068 /nfs/dbraw/zinc/87/60/68/1054876068.db2.gz PRHVHDNDVGTFEN-NEPJUHHUSA-N 1 1 376.425 3.921 20 5 GHBDMO Cc1nn(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC001318919125 1054949205 /nfs/dbraw/zinc/94/92/05/1054949205.db2.gz GKHOPVLTBLXUKC-UHFFFAOYSA-N 1 1 392.419 3.626 20 5 GHBDMO NC(=O)C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CCCC1 ZINC001319949777 1055558392 /nfs/dbraw/zinc/55/83/92/1055558392.db2.gz GDHCHQNWIMZNJT-UHFFFAOYSA-N 1 1 377.828 3.738 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001320359125 1055771359 /nfs/dbraw/zinc/77/13/59/1055771359.db2.gz HWZOHZXTEFRHDU-LJQANCHMSA-N 1 1 394.475 3.517 20 5 GHBDMO CN1CC[NH+](Cc2cccc(CNc3ccc([N+](=O)[O-])c4cccnc34)c2)CC1 ZINC001320550746 1055875247 /nfs/dbraw/zinc/87/52/47/1055875247.db2.gz SCIXHBLHBBCLNB-UHFFFAOYSA-N 1 1 391.475 3.503 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c(Br)c1 ZINC001320704531 1055934153 /nfs/dbraw/zinc/93/41/53/1055934153.db2.gz AWSBRGGJLJMTTM-UHFFFAOYSA-N 1 1 377.238 3.664 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320792982 1055963204 /nfs/dbraw/zinc/96/32/04/1055963204.db2.gz MCIHDKHIRGSWOE-VQIMIIECSA-N 1 1 386.427 3.918 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320792982 1055963207 /nfs/dbraw/zinc/96/32/07/1055963207.db2.gz MCIHDKHIRGSWOE-VQIMIIECSA-N 1 1 386.427 3.918 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001322070393 1056503117 /nfs/dbraw/zinc/50/31/17/1056503117.db2.gz NUNYUKUKEWUMCI-FQEVSTJZSA-N 1 1 380.448 3.867 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001323004563 1056906675 /nfs/dbraw/zinc/90/66/75/1056906675.db2.gz PZUYQPBEIXWHMA-NVXWUHKLSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001323004563 1056906679 /nfs/dbraw/zinc/90/66/79/1056906679.db2.gz PZUYQPBEIXWHMA-NVXWUHKLSA-N 1 1 377.803 3.563 20 5 GHBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000848482884 1057119457 /nfs/dbraw/zinc/11/94/57/1057119457.db2.gz WNDYEIQGANMZOU-MRXNPFEDSA-N 1 1 385.386 3.533 20 5 GHBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000848482884 1057119459 /nfs/dbraw/zinc/11/94/59/1057119459.db2.gz WNDYEIQGANMZOU-MRXNPFEDSA-N 1 1 385.386 3.533 20 5 GHBDMO COC[C@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC001324356858 1057119458 /nfs/dbraw/zinc/11/94/58/1057119458.db2.gz AXGOFFBMZGBCMD-IUODEOHRSA-N 1 1 380.828 3.744 20 5 GHBDMO COC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC001324356858 1057119462 /nfs/dbraw/zinc/11/94/62/1057119462.db2.gz AXGOFFBMZGBCMD-IUODEOHRSA-N 1 1 380.828 3.744 20 5 GHBDMO C[N@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000848491882 1057125608 /nfs/dbraw/zinc/12/56/08/1057125608.db2.gz ZMMOFTRYDJJUOF-ZACQAIPSSA-N 1 1 399.413 3.921 20 5 GHBDMO C[N@@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000848491882 1057125610 /nfs/dbraw/zinc/12/56/10/1057125610.db2.gz ZMMOFTRYDJJUOF-ZACQAIPSSA-N 1 1 399.413 3.921 20 5 GHBDMO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001324743741 1057216965 /nfs/dbraw/zinc/21/69/65/1057216965.db2.gz GHNUKVIJWJJJIT-HNNXBMFYSA-N 1 1 377.828 3.609 20 5 GHBDMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001324743741 1057216972 /nfs/dbraw/zinc/21/69/72/1057216972.db2.gz GHNUKVIJWJJJIT-HNNXBMFYSA-N 1 1 377.828 3.609 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c(C)cc3C)CC2)cc1 ZINC001440862601 1058638040 /nfs/dbraw/zinc/63/80/40/1058638040.db2.gz CFGCPIWNVZSQOQ-UHFFFAOYSA-N 1 1 381.476 3.868 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001340929079 1060257363 /nfs/dbraw/zinc/25/73/63/1060257363.db2.gz MQJQFLVBDJHBBD-GJZGRUSLSA-N 1 1 393.447 3.678 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001340929079 1060257391 /nfs/dbraw/zinc/25/73/91/1060257391.db2.gz MQJQFLVBDJHBBD-GJZGRUSLSA-N 1 1 393.447 3.678 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001435347326 1062529154 /nfs/dbraw/zinc/52/91/54/1062529154.db2.gz RJHKGSUKMPYROM-ZDUSSCGKSA-N 1 1 385.386 3.608 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435701274 1062865889 /nfs/dbraw/zinc/86/58/89/1062865889.db2.gz HLCKFKBHYDIVLZ-GUMYABAYSA-N 1 1 393.487 3.725 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001348454501 1063086883 /nfs/dbraw/zinc/08/68/83/1063086883.db2.gz QOJMHNCSSLWHBQ-NVXWUHKLSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001348454501 1063086906 /nfs/dbraw/zinc/08/69/06/1063086906.db2.gz QOJMHNCSSLWHBQ-NVXWUHKLSA-N 1 1 377.803 3.563 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001436142500 1063232777 /nfs/dbraw/zinc/23/27/77/1063232777.db2.gz UOEGKJCVJRWQDF-NQIIRXRSSA-N 1 1 397.450 3.809 20 5 GHBDMO CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457541538 1063234090 /nfs/dbraw/zinc/23/40/90/1063234090.db2.gz BVIBUCDOCRLKDU-YPAWHYETSA-N 1 1 393.487 3.821 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001457991457 1063491806 /nfs/dbraw/zinc/49/18/06/1063491806.db2.gz GSBPPVCUXZUTBE-CABCVRRESA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001457991457 1063491817 /nfs/dbraw/zinc/49/18/17/1063491817.db2.gz GSBPPVCUXZUTBE-CABCVRRESA-N 1 1 387.867 3.983 20 5 GHBDMO O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001458157774 1063613432 /nfs/dbraw/zinc/61/34/32/1063613432.db2.gz QPDXUWCWBVFDBD-MRXNPFEDSA-N 1 1 376.416 3.933 20 5 GHBDMO O=[N+]([O-])c1c(N2CC[NH+](Cc3ccc(O)cc3)CC2)cccc1C(F)(F)F ZINC001458544686 1063880936 /nfs/dbraw/zinc/88/09/36/1063880936.db2.gz FMHYNPYGYPHZPW-UHFFFAOYSA-N 1 1 381.354 3.641 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC001458582905 1063900431 /nfs/dbraw/zinc/90/04/31/1063900431.db2.gz URXYMSMOIZYCKJ-UHFFFAOYSA-N 1 1 390.871 3.736 20 5 GHBDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC001458637186 1063910741 /nfs/dbraw/zinc/91/07/41/1063910741.db2.gz DTYPJRIPMROHHW-KRWDZBQOSA-N 1 1 383.427 3.655 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)n1 ZINC001459334828 1064066755 /nfs/dbraw/zinc/06/67/55/1064066755.db2.gz OMSULDBTJVNFCB-CYBMUJFWSA-N 1 1 391.269 3.835 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)n1 ZINC001459334828 1064066764 /nfs/dbraw/zinc/06/67/64/1064066764.db2.gz OMSULDBTJVNFCB-CYBMUJFWSA-N 1 1 391.269 3.835 20 5 GHBDMO CCNc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001438565295 1064071252 /nfs/dbraw/zinc/07/12/52/1064071252.db2.gz NDMMBFZDBJJDAC-LJQANCHMSA-N 1 1 396.491 3.811 20 5 GHBDMO Cn1cc(C[NH+]2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c([N+](=O)[O-])n1 ZINC001459508719 1064115515 /nfs/dbraw/zinc/11/55/15/1064115515.db2.gz BPYVLVIQGIENLD-UHFFFAOYSA-N 1 1 399.278 3.926 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001439111517 1064177983 /nfs/dbraw/zinc/17/79/83/1064177983.db2.gz PMSHVFUAXMGBLB-VGSWGCGISA-N 1 1 397.450 3.636 20 5 GHBDMO Cc1cccc(C2=CC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c1 ZINC001459816472 1064229165 /nfs/dbraw/zinc/22/91/65/1064229165.db2.gz GVDJMAJIRLQZFX-OAQYLSRUSA-N 1 1 377.444 3.798 20 5 GHBDMO Cc1cccc(C2=CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c1 ZINC001459816472 1064229169 /nfs/dbraw/zinc/22/91/69/1064229169.db2.gz GVDJMAJIRLQZFX-OAQYLSRUSA-N 1 1 377.444 3.798 20 5 GHBDMO COc1ccc2c(c1)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)CC2 ZINC001459881280 1064254606 /nfs/dbraw/zinc/25/46/06/1064254606.db2.gz HEBRWGQVWICXDD-UHFFFAOYSA-N 1 1 391.265 3.967 20 5 GHBDMO CC(C)Oc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001353722095 1066196212 /nfs/dbraw/zinc/19/62/12/1066196212.db2.gz ZSRYKBVIKKCPFO-QGZVFWFLSA-N 1 1 397.475 3.729 20 5 GHBDMO CC(C)Oc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001353722095 1066196218 /nfs/dbraw/zinc/19/62/18/1066196218.db2.gz ZSRYKBVIKKCPFO-QGZVFWFLSA-N 1 1 397.475 3.729 20 5 GHBDMO C[C@]1(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001466679687 1066252994 /nfs/dbraw/zinc/25/29/94/1066252994.db2.gz VLBOGFYQEQYKKG-HXUWFJFHSA-N 1 1 386.427 3.768 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001358251635 1067454315 /nfs/dbraw/zinc/45/43/15/1067454315.db2.gz VPFKHLJARQNPQT-UHFFFAOYSA-N 1 1 394.475 3.576 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001468948584 1067935552 /nfs/dbraw/zinc/93/55/52/1067935552.db2.gz ZIIONKUAUKFELP-RTBURBONSA-N 1 1 388.512 3.748 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001469070368 1067969093 /nfs/dbraw/zinc/96/90/93/1067969093.db2.gz VIUZBUITVAIECB-QZTJIDSGSA-N 1 1 396.491 3.880 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001469070368 1067969096 /nfs/dbraw/zinc/96/90/96/1067969096.db2.gz VIUZBUITVAIECB-QZTJIDSGSA-N 1 1 396.491 3.880 20 5 GHBDMO CN(C)c1cc(F)c(C(=O)Nc2c[nH+]ccc2Nc2ccccc2)cc1[N+](=O)[O-] ZINC001469690880 1068313736 /nfs/dbraw/zinc/31/37/36/1068313736.db2.gz QIJHJPADZWVWME-UHFFFAOYSA-N 1 1 395.394 3.613 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001469895025 1068454546 /nfs/dbraw/zinc/45/45/46/1068454546.db2.gz KINOHBJVJHRZCI-IBGZPJMESA-N 1 1 381.476 3.601 20 5 GHBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001470251956 1068647295 /nfs/dbraw/zinc/64/72/95/1068647295.db2.gz ZKVRMBPYYXMYPZ-OAHLLOKOSA-N 1 1 395.887 3.540 20 5 GHBDMO CCNc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001361047416 1068751152 /nfs/dbraw/zinc/75/11/52/1068751152.db2.gz AXVAYBSUCOSJRC-VQIMIIECSA-N 1 1 396.491 3.667 20 5 GHBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460774599 1069170296 /nfs/dbraw/zinc/17/02/96/1069170296.db2.gz IYXLOEZDPFKQHK-NVXWUHKLSA-N 1 1 377.485 3.620 20 5 GHBDMO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@H+]1C1CCCC1 ZINC001460781581 1069174688 /nfs/dbraw/zinc/17/46/88/1069174688.db2.gz VBJYGYRTAQFRGO-ZDUSSCGKSA-N 1 1 382.302 3.806 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001470781339 1072736591 /nfs/dbraw/zinc/73/65/91/1072736591.db2.gz OPWMIMUYQGAFHV-UZLBHIALSA-N 1 1 399.516 3.714 20 5 GHBDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC001471708869 1073190938 /nfs/dbraw/zinc/19/09/38/1073190938.db2.gz MVIYKUOICFNJAG-HXUWFJFHSA-N 1 1 399.466 3.880 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001472675638 1073610507 /nfs/dbraw/zinc/61/05/07/1073610507.db2.gz SAHJKVDOZHIDRG-QXLXQBSBSA-N 1 1 375.469 3.848 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001472675637 1073610611 /nfs/dbraw/zinc/61/06/11/1073610611.db2.gz SAHJKVDOZHIDRG-KAMXEHQASA-N 1 1 375.469 3.848 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001472713095 1073630873 /nfs/dbraw/zinc/63/08/73/1073630873.db2.gz DIOCAXIUMGWKOK-OAQYLSRUSA-N 1 1 396.447 3.996 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC001473453434 1073971538 /nfs/dbraw/zinc/97/15/38/1073971538.db2.gz ZEEAYJOPLQMMBN-SFHVURJKSA-N 1 1 391.468 3.627 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC001473453434 1073971540 /nfs/dbraw/zinc/97/15/40/1073971540.db2.gz ZEEAYJOPLQMMBN-SFHVURJKSA-N 1 1 391.468 3.627 20 5 GHBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001473529302 1074003403 /nfs/dbraw/zinc/00/34/03/1074003403.db2.gz XXKODXYYSCEFMQ-QGZVFWFLSA-N 1 1 399.285 3.911 20 5 GHBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001473529302 1074003409 /nfs/dbraw/zinc/00/34/09/1074003409.db2.gz XXKODXYYSCEFMQ-QGZVFWFLSA-N 1 1 399.285 3.911 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001473670861 1074077254 /nfs/dbraw/zinc/07/72/54/1074077254.db2.gz PXYVKEUELRWQPD-INIZCTEOSA-N 1 1 375.469 3.834 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](C3CCCCC3)C2)cc1 ZINC001473670893 1074077538 /nfs/dbraw/zinc/07/75/38/1074077538.db2.gz QGZXQHNDLUSNLO-QGZVFWFLSA-N 1 1 380.510 3.661 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](C3CCCCC3)C2)cc1 ZINC001473670893 1074077547 /nfs/dbraw/zinc/07/75/47/1074077547.db2.gz QGZXQHNDLUSNLO-QGZVFWFLSA-N 1 1 380.510 3.661 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H](OC2CCC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001473727158 1074110618 /nfs/dbraw/zinc/11/06/18/1074110618.db2.gz AMYZNOGKMUSDID-HNNXBMFYSA-N 1 1 381.860 3.610 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H](OC2CCC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001473727158 1074110624 /nfs/dbraw/zinc/11/06/24/1074110624.db2.gz AMYZNOGKMUSDID-HNNXBMFYSA-N 1 1 381.860 3.610 20 5 GHBDMO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001473753427 1074123660 /nfs/dbraw/zinc/12/36/60/1074123660.db2.gz ANPUTAWLWNPKRN-SFHVURJKSA-N 1 1 397.258 3.834 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)c1 ZINC001473760540 1074127577 /nfs/dbraw/zinc/12/75/77/1074127577.db2.gz DBCITQXWVCSHKP-XMSQKQJNSA-N 1 1 392.459 3.898 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1c1ccccc1 ZINC001473980002 1074224790 /nfs/dbraw/zinc/22/47/90/1074224790.db2.gz LWFVADZLKRHXJI-LJQANCHMSA-N 1 1 377.400 3.750 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)ccc1Cl ZINC000823635349 607176563 /nfs/dbraw/zinc/17/65/63/607176563.db2.gz WHRFNDVANARABZ-UHFFFAOYSA-N 1 1 384.827 3.593 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)ccc1Cl ZINC000823635349 607176564 /nfs/dbraw/zinc/17/65/64/607176564.db2.gz WHRFNDVANARABZ-UHFFFAOYSA-N 1 1 384.827 3.593 20 5 GHBDMO O=[N+]([O-])c1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2[nH]ccc21 ZINC001164621691 719089205 /nfs/dbraw/zinc/08/92/05/719089205.db2.gz ANAAZMIARYLQFY-QFBILLFUSA-N 1 1 377.448 3.572 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)[C@H]2C ZINC001164857886 720956520 /nfs/dbraw/zinc/95/65/20/720956520.db2.gz HWBREXNVKMNMPC-HNNXBMFYSA-N 1 1 394.479 3.761 20 5 GHBDMO c1csc(C[N@H+]2C[C@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@H]3C2)n1 ZINC001164790112 721400358 /nfs/dbraw/zinc/40/03/58/721400358.db2.gz WTPHJGKBROFNEW-HDICACEKSA-N 1 1 387.512 3.808 20 5 GHBDMO c1csc(C[N@@H+]2C[C@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@H]3C2)n1 ZINC001164790112 721400361 /nfs/dbraw/zinc/40/03/61/721400361.db2.gz WTPHJGKBROFNEW-HDICACEKSA-N 1 1 387.512 3.808 20 5 GHBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054832 722020523 /nfs/dbraw/zinc/02/05/23/722020523.db2.gz FHCJAIWLJLXWMQ-UHFFFAOYSA-N 1 1 397.866 3.556 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994839 722202096 /nfs/dbraw/zinc/20/20/96/722202096.db2.gz IRHGBZDRCUPVFF-NRFANRHFSA-N 1 1 384.455 3.991 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000613234438 837437705 /nfs/dbraw/zinc/43/77/05/837437705.db2.gz YEMMAILOZHZFMC-RBBKRZOGSA-N 1 1 395.503 3.896 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000180727925 837500443 /nfs/dbraw/zinc/50/04/43/837500443.db2.gz NTCHWFUKDPQBSN-RBUKOAKNSA-N 1 1 384.480 3.775 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000173242956 837609654 /nfs/dbraw/zinc/60/96/54/837609654.db2.gz FNHBEFTUOYHDBP-IBGZPJMESA-N 1 1 383.448 3.523 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000173242956 837609660 /nfs/dbraw/zinc/60/96/60/837609660.db2.gz FNHBEFTUOYHDBP-IBGZPJMESA-N 1 1 383.448 3.523 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000471102655 834399905 /nfs/dbraw/zinc/39/99/05/834399905.db2.gz AZRWALHZZWJSIH-UHFFFAOYSA-N 1 1 383.448 3.883 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000175282598 834695344 /nfs/dbraw/zinc/69/53/44/834695344.db2.gz VUXPBWROTWTQAB-SFHVURJKSA-N 1 1 397.475 3.588 20 5 GHBDMO CCn1nccc1C1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000278774622 834810404 /nfs/dbraw/zinc/81/04/04/834810404.db2.gz CPVJIQASGQJAMC-CQSZACIVSA-N 1 1 396.451 3.802 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000247234924 837819379 /nfs/dbraw/zinc/81/93/79/837819379.db2.gz ODXMIMGVJIEULH-BBRMVZONSA-N 1 1 398.891 3.507 20 5 GHBDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000175324769 835167255 /nfs/dbraw/zinc/16/72/55/835167255.db2.gz CYNJTHHPUHCLME-UHFFFAOYSA-N 1 1 385.439 3.571 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000471161738 835276260 /nfs/dbraw/zinc/27/62/60/835276260.db2.gz QMRBDWIJWWFVJR-QFIPXVFZSA-N 1 1 397.475 3.778 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000510118839 835401931 /nfs/dbraw/zinc/40/19/31/835401931.db2.gz MDDIUCNDPRVBHE-WBVHZDCISA-N 1 1 385.439 3.764 20 5 GHBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000547704893 835516531 /nfs/dbraw/zinc/51/65/31/835516531.db2.gz OEJKJSOCJJQPFK-UHFFFAOYSA-N 1 1 377.488 3.628 20 5 GHBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000278624221 835581706 /nfs/dbraw/zinc/58/17/06/835581706.db2.gz KDQLYMVHHAIYQW-QGZVFWFLSA-N 1 1 392.499 3.631 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000052829944 835686773 /nfs/dbraw/zinc/68/67/73/835686773.db2.gz IPCAFMVMQCAVOD-LBPRGKRZSA-N 1 1 380.857 3.555 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000052829944 835686778 /nfs/dbraw/zinc/68/67/78/835686778.db2.gz IPCAFMVMQCAVOD-LBPRGKRZSA-N 1 1 380.857 3.555 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000584164294 835711650 /nfs/dbraw/zinc/71/16/50/835711650.db2.gz OJCSCYWJPMYFRO-HDICACEKSA-N 1 1 390.528 3.537 20 5 GHBDMO Cc1ncccc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000179655047 835933806 /nfs/dbraw/zinc/93/38/06/835933806.db2.gz KQPIYVCBTKZUFK-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154870134 836095870 /nfs/dbraw/zinc/09/58/70/836095870.db2.gz XFHPSXHGSZSKGH-UHFFFAOYSA-N 1 1 392.500 3.506 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000411563144 836226229 /nfs/dbraw/zinc/22/62/29/836226229.db2.gz BHDPUSORQLVRFA-CQSZACIVSA-N 1 1 391.493 3.947 20 5 GHBDMO C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000173996356 836338748 /nfs/dbraw/zinc/33/87/48/836338748.db2.gz LTRONOUKUUYNDZ-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000173996356 836338759 /nfs/dbraw/zinc/33/87/59/836338759.db2.gz LTRONOUKUUYNDZ-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000173996356 836338771 /nfs/dbraw/zinc/33/87/71/836338771.db2.gz LTRONOUKUUYNDZ-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO Cc1c(C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)cccc1[N+](=O)[O-] ZINC000547773931 836345262 /nfs/dbraw/zinc/34/52/62/836345262.db2.gz JSHZIXMPFOPQMT-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO COc1cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180172023 836466182 /nfs/dbraw/zinc/46/61/82/836466182.db2.gz AHZWUVUABSKTGK-WDEREUQCSA-N 1 1 376.425 3.573 20 5 GHBDMO COc1cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180172023 836466188 /nfs/dbraw/zinc/46/61/88/836466188.db2.gz AHZWUVUABSKTGK-WDEREUQCSA-N 1 1 376.425 3.573 20 5 GHBDMO CC(C)C[N@@H+](CCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001167193189 836853792 /nfs/dbraw/zinc/85/37/92/836853792.db2.gz UDURWUBWSBQCGN-UHFFFAOYSA-N 1 1 381.476 3.685 20 5 GHBDMO C[N@@H+](CC(C)(C)O)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000177728610 837079954 /nfs/dbraw/zinc/07/99/54/837079954.db2.gz XWGPXPBDFYACLW-QGZVFWFLSA-N 1 1 391.855 3.631 20 5 GHBDMO C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000177174875 837881965 /nfs/dbraw/zinc/88/19/65/837881965.db2.gz QBENXHQBCIQWHG-MRXNPFEDSA-N 1 1 380.448 3.832 20 5 GHBDMO C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000177174891 837881988 /nfs/dbraw/zinc/88/19/88/837881988.db2.gz QBENXHQBCIQWHG-INIZCTEOSA-N 1 1 380.448 3.832 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000177640821 838220420 /nfs/dbraw/zinc/22/04/20/838220420.db2.gz HWRVEKLAOPPVPR-UHFFFAOYSA-N 1 1 383.448 3.844 20 5 GHBDMO Cc1cc2c(ncnc2N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000189517057 838267432 /nfs/dbraw/zinc/26/74/32/838267432.db2.gz BXSDJFNLHJULKP-AWEZNQCLSA-N 1 1 383.477 3.791 20 5 GHBDMO Cc1cc(N2CCC(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000187834652 838352765 /nfs/dbraw/zinc/35/27/65/838352765.db2.gz JCYZGYDKVQAURK-UHFFFAOYSA-N 1 1 397.479 3.524 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535697300 844319630 /nfs/dbraw/zinc/31/96/30/844319630.db2.gz YGWDJESJAUOUKS-UHFFFAOYSA-N 1 1 397.450 3.862 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000397966426 844395858 /nfs/dbraw/zinc/39/58/58/844395858.db2.gz GZYASUQCJLWFBW-CZUORRHYSA-N 1 1 383.477 3.922 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000255301768 839171941 /nfs/dbraw/zinc/17/19/41/839171941.db2.gz UNMPEEGGKXXTDD-OTIVFRFGSA-N 1 1 381.480 3.806 20 5 GHBDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]2CCCC[C@H]12 ZINC000541122548 839272037 /nfs/dbraw/zinc/27/20/37/839272037.db2.gz QCQXTFSJSQJYJG-KFNAQCHYSA-N 1 1 396.285 3.806 20 5 GHBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]2CCCC[C@H]12 ZINC000541122548 839272050 /nfs/dbraw/zinc/27/20/50/839272050.db2.gz QCQXTFSJSQJYJG-KFNAQCHYSA-N 1 1 396.285 3.806 20 5 GHBDMO CCOC(=O)c1ncc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000894082311 844462544 /nfs/dbraw/zinc/46/25/44/844462544.db2.gz WCOSMSXOMGTBAL-UHFFFAOYSA-N 1 1 389.355 3.537 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000024493003 839708977 /nfs/dbraw/zinc/70/89/77/839708977.db2.gz PQVVKNHBYIMPIY-KRWDZBQOSA-N 1 1 389.477 3.867 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(Br)cc1O ZINC000294657190 839746138 /nfs/dbraw/zinc/74/61/38/839746138.db2.gz AEAZYHXCTMVYRH-JTQLQIEISA-N 1 1 381.226 3.922 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247320269 840249894 /nfs/dbraw/zinc/24/98/94/840249894.db2.gz IPCZWWDGNGZRQG-QVDMIQRCSA-N 1 1 385.439 3.620 20 5 GHBDMO C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000123943972 840277266 /nfs/dbraw/zinc/27/72/66/840277266.db2.gz XCWDXSYDINUERC-KRWDZBQOSA-N 1 1 387.411 3.627 20 5 GHBDMO C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000123943972 840277274 /nfs/dbraw/zinc/27/72/74/840277274.db2.gz XCWDXSYDINUERC-KRWDZBQOSA-N 1 1 387.411 3.627 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000047213822 840636910 /nfs/dbraw/zinc/63/69/10/840636910.db2.gz UAULTVBMIOZGHY-QGZVFWFLSA-N 1 1 388.512 3.579 20 5 GHBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000511769504 840692759 /nfs/dbraw/zinc/69/27/59/840692759.db2.gz PWFBKVYVBPZLSL-HXUWFJFHSA-N 1 1 397.475 3.634 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000511841046 840914390 /nfs/dbraw/zinc/91/43/90/840914390.db2.gz FKLBGTZBHMHDOE-NLWGTHIKSA-N 1 1 395.459 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(OC4CCCCC4)CC3)n2)c1 ZINC000124729323 841008622 /nfs/dbraw/zinc/00/86/22/841008622.db2.gz ONOGBKWPWYXCFN-UHFFFAOYSA-N 1 1 385.468 3.625 20 5 GHBDMO O=C1CC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@@H]2N1C1CC1 ZINC000549915253 844597796 /nfs/dbraw/zinc/59/77/96/844597796.db2.gz CPHPUNLOLYHXSQ-SJCJKPOMSA-N 1 1 397.397 3.589 20 5 GHBDMO O=C1CC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@@H]2N1C1CC1 ZINC000549915253 844597799 /nfs/dbraw/zinc/59/77/99/844597799.db2.gz CPHPUNLOLYHXSQ-SJCJKPOMSA-N 1 1 397.397 3.589 20 5 GHBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c1 ZINC000162466785 841154084 /nfs/dbraw/zinc/15/40/84/841154084.db2.gz FUDRHXZJMILZIC-UHFFFAOYSA-N 1 1 382.464 3.558 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000510424944 841373774 /nfs/dbraw/zinc/37/37/74/841373774.db2.gz NGIIKQHZULDCFS-QGZVFWFLSA-N 1 1 393.447 3.529 20 5 GHBDMO COc1cc(C[NH2+][C@H]2COCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000418099149 841503053 /nfs/dbraw/zinc/50/30/53/841503053.db2.gz BNLGBGZEEBQNOX-HNNXBMFYSA-N 1 1 394.374 3.608 20 5 GHBDMO COc1ccc(C[N@@H+](C)CC2(C)COC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000600190752 861218686 /nfs/dbraw/zinc/21/86/86/861218686.db2.gz MEVUKMNVXBEKIR-UHFFFAOYSA-N 1 1 386.448 3.651 20 5 GHBDMO COC[C@H](C)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000510434270 841700800 /nfs/dbraw/zinc/70/08/00/841700800.db2.gz CKYMOWGWFFTDFB-INIZCTEOSA-N 1 1 380.448 3.914 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133269 841853206 /nfs/dbraw/zinc/85/32/06/841853206.db2.gz OKKAMUQELLAVTM-PGRDOPGGSA-N 1 1 397.475 3.941 20 5 GHBDMO CC[C@H]1Cc2ccccc2C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000466938249 841880933 /nfs/dbraw/zinc/88/09/33/841880933.db2.gz BLTSQRRUPIITRS-KRWDZBQOSA-N 1 1 381.432 3.730 20 5 GHBDMO CCNc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430638109 841996142 /nfs/dbraw/zinc/99/61/42/841996142.db2.gz MNZCWXZFWHJOFI-APWZRJJASA-N 1 1 396.491 3.810 20 5 GHBDMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000126743650 842014614 /nfs/dbraw/zinc/01/46/14/842014614.db2.gz SHXFWOPIMAEKIE-HZPDHXFCSA-N 1 1 386.471 3.898 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000510450047 842015635 /nfs/dbraw/zinc/01/56/35/842015635.db2.gz QRCRPUGZDHVZCT-LLGFUMIMSA-N 1 1 397.523 3.833 20 5 GHBDMO CCNc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430638114 842016693 /nfs/dbraw/zinc/01/66/93/842016693.db2.gz MNZCWXZFWHJOFI-QFBILLFUSA-N 1 1 396.491 3.810 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000585726469 842219281 /nfs/dbraw/zinc/21/92/81/842219281.db2.gz HQQVWZIGFSWQHG-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO COc1cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)ccc1OCc1ccccc1 ZINC000471713523 842230717 /nfs/dbraw/zinc/23/07/17/842230717.db2.gz NFQDSFYCGKJSIA-UHFFFAOYSA-N 1 1 396.447 3.511 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3Cc3ccc(F)cc3)n2)c1 ZINC000055908382 842287969 /nfs/dbraw/zinc/28/79/69/842287969.db2.gz RNUQVEFKUFTYOL-QGZVFWFLSA-N 1 1 382.395 3.991 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)nc1 ZINC000112655624 842358662 /nfs/dbraw/zinc/35/86/62/842358662.db2.gz VAJXCSZZTMCDGK-HNNXBMFYSA-N 1 1 399.838 3.985 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000134658355 842420509 /nfs/dbraw/zinc/42/05/09/842420509.db2.gz LJKMCWAIKJPWMW-OLZOCXBDSA-N 1 1 390.440 3.614 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000134658355 842420515 /nfs/dbraw/zinc/42/05/15/842420515.db2.gz LJKMCWAIKJPWMW-OLZOCXBDSA-N 1 1 390.440 3.614 20 5 GHBDMO CC(C)NC(=O)c1ccc(NCCCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000603860161 861311236 /nfs/dbraw/zinc/31/12/36/861311236.db2.gz VQXZPRWRYKAURJ-INIZCTEOSA-N 1 1 376.501 3.657 20 5 GHBDMO Cc1c(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000121520923 842529213 /nfs/dbraw/zinc/52/92/13/842529213.db2.gz SBGICKPLNHZZEV-GJZGRUSLSA-N 1 1 383.448 3.765 20 5 GHBDMO CCCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000432488675 842658940 /nfs/dbraw/zinc/65/89/40/842658940.db2.gz KXIFVVPAUHJTQI-UHFFFAOYSA-N 1 1 377.485 3.852 20 5 GHBDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093840404 842775113 /nfs/dbraw/zinc/77/51/13/842775113.db2.gz AOWGZFNLJFJJDS-SFHVURJKSA-N 1 1 386.448 3.651 20 5 GHBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896640977 861353811 /nfs/dbraw/zinc/35/38/11/861353811.db2.gz IFGCIGKZKWSGIG-UHFFFAOYSA-N 1 1 389.214 3.756 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2c1 ZINC000302784970 861362964 /nfs/dbraw/zinc/36/29/64/861362964.db2.gz MGBWRZUVQPCIFV-HXUWFJFHSA-N 1 1 392.459 3.846 20 5 GHBDMO COc1cc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000512192681 842949092 /nfs/dbraw/zinc/94/90/92/842949092.db2.gz BGEBHASICAAKHQ-SJORKVTESA-N 1 1 391.512 3.698 20 5 GHBDMO C[C@@H]1CCCN(c2ccc(C(=O)Nc3cc[nH+]c(N(C)C)c3)cc2[N+](=O)[O-])C1 ZINC000500439932 843090678 /nfs/dbraw/zinc/09/06/78/843090678.db2.gz JGAGVXUUAVXCSF-CQSZACIVSA-N 1 1 383.452 3.544 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430910770 843169356 /nfs/dbraw/zinc/16/93/56/843169356.db2.gz XQOFRVZCUGMCDE-UTKZUKDTSA-N 1 1 397.475 3.646 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430910770 843169361 /nfs/dbraw/zinc/16/93/61/843169361.db2.gz XQOFRVZCUGMCDE-UTKZUKDTSA-N 1 1 397.475 3.646 20 5 GHBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000548402650 843233185 /nfs/dbraw/zinc/23/31/85/843233185.db2.gz ZSGAVCZZDRBUNE-LLVKDONJSA-N 1 1 389.362 3.629 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000603919632 861401805 /nfs/dbraw/zinc/40/18/05/861401805.db2.gz STUKJJWGQCTTBR-ROUUACIJSA-N 1 1 380.448 3.695 20 5 GHBDMO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000056168701 861440913 /nfs/dbraw/zinc/44/09/13/861440913.db2.gz BOLMLLIUZZJAMT-MAUKXSAKSA-N 1 1 383.448 3.559 20 5 GHBDMO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512400458 843661537 /nfs/dbraw/zinc/66/15/37/843661537.db2.gz QNFVLDRSDIOMNT-SFHVURJKSA-N 1 1 396.491 3.853 20 5 GHBDMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512400458 843661542 /nfs/dbraw/zinc/66/15/42/843661542.db2.gz QNFVLDRSDIOMNT-SFHVURJKSA-N 1 1 396.491 3.853 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000215730553 861463490 /nfs/dbraw/zinc/46/34/90/861463490.db2.gz GNNAINKIQVWLST-CRAIPNDOSA-N 1 1 399.472 3.781 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000215730553 861463495 /nfs/dbraw/zinc/46/34/95/861463495.db2.gz GNNAINKIQVWLST-CRAIPNDOSA-N 1 1 399.472 3.781 20 5 GHBDMO CC1(C)C[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279594 843950407 /nfs/dbraw/zinc/95/04/07/843950407.db2.gz UDIGWINWRYTRDQ-GGAORHGYSA-N 1 1 395.503 3.544 20 5 GHBDMO CC1(C)C[C@@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279594 843950411 /nfs/dbraw/zinc/95/04/11/843950411.db2.gz UDIGWINWRYTRDQ-GGAORHGYSA-N 1 1 395.503 3.544 20 5 GHBDMO C[NH+](C)Cc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)ccc1Cl ZINC000500781577 844004865 /nfs/dbraw/zinc/00/48/65/844004865.db2.gz SMDYCJAONMAJJG-UHFFFAOYSA-N 1 1 399.838 3.748 20 5 GHBDMO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599659193 861490187 /nfs/dbraw/zinc/49/01/87/861490187.db2.gz FHPHMDQDKSEPQH-INIZCTEOSA-N 1 1 384.480 3.506 20 5 GHBDMO CSc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000614444368 844883972 /nfs/dbraw/zinc/88/39/72/844883972.db2.gz WVPDWAYKPFCTOA-KRWDZBQOSA-N 1 1 399.516 3.959 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000433043894 845069433 /nfs/dbraw/zinc/06/94/33/845069433.db2.gz HECOQDWKKUJERI-QGZVFWFLSA-N 1 1 383.448 3.594 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000433043894 845069440 /nfs/dbraw/zinc/06/94/40/845069440.db2.gz HECOQDWKKUJERI-QGZVFWFLSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433073432 845168788 /nfs/dbraw/zinc/16/87/88/845168788.db2.gz AXYLBHYUOVYMGL-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433073432 845168794 /nfs/dbraw/zinc/16/87/94/845168794.db2.gz AXYLBHYUOVYMGL-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO CCCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000433763182 845323541 /nfs/dbraw/zinc/32/35/41/845323541.db2.gz AFHGRGNJXUQNQT-UHFFFAOYSA-N 1 1 393.532 3.993 20 5 GHBDMO [NH3+]C1CCN(CCCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000433164398 845548793 /nfs/dbraw/zinc/54/87/93/845548793.db2.gz RCHBYJWZZSRCEK-UHFFFAOYSA-N 1 1 398.463 3.529 20 5 GHBDMO C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182901926 845604694 /nfs/dbraw/zinc/60/46/94/845604694.db2.gz VERXLLIFNCEULL-SJORKVTESA-N 1 1 388.512 3.556 20 5 GHBDMO Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(N2CCCC2)[nH+]1 ZINC000611568313 845835226 /nfs/dbraw/zinc/83/52/26/845835226.db2.gz RGYIKSGHYBELPP-UHFFFAOYSA-N 1 1 389.843 3.874 20 5 GHBDMO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059424 846149277 /nfs/dbraw/zinc/14/92/77/846149277.db2.gz LSFHDHMCQHKZLY-LBPRGKRZSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059424 846149279 /nfs/dbraw/zinc/14/92/79/846149279.db2.gz LSFHDHMCQHKZLY-LBPRGKRZSA-N 1 1 379.819 3.889 20 5 GHBDMO O=[N+]([O-])c1c(NCc2ccccc2C[NH+]2CCOCC2)ccc2ncccc21 ZINC000051421510 846245624 /nfs/dbraw/zinc/24/56/24/846245624.db2.gz KOWBPAPSSOSYQV-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Br ZINC000500983425 846520754 /nfs/dbraw/zinc/52/07/54/846520754.db2.gz JXFUVFDQULVYQK-CQSZACIVSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Br ZINC000500983425 846520761 /nfs/dbraw/zinc/52/07/61/846520761.db2.gz JXFUVFDQULVYQK-CQSZACIVSA-N 1 1 391.269 3.747 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511089252 846595713 /nfs/dbraw/zinc/59/57/13/846595713.db2.gz FQIPNCOLJGEERJ-HNNXBMFYSA-N 1 1 378.432 3.645 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511089252 846595717 /nfs/dbraw/zinc/59/57/17/846595717.db2.gz FQIPNCOLJGEERJ-HNNXBMFYSA-N 1 1 378.432 3.645 20 5 GHBDMO Cc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000502936508 846629352 /nfs/dbraw/zinc/62/93/52/846629352.db2.gz SYIALRHPKRVJQF-UHFFFAOYSA-N 1 1 376.825 3.935 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187737725 847055039 /nfs/dbraw/zinc/05/50/39/847055039.db2.gz CJTUFLYKQGYRRO-VQIMIIECSA-N 1 1 391.512 3.585 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000303503782 861752829 /nfs/dbraw/zinc/75/28/29/861752829.db2.gz ZFECKVMGWZPXFO-OWCLPIDISA-N 1 1 376.501 3.511 20 5 GHBDMO C[N@@H+](CCSc1ncc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000431408854 847217974 /nfs/dbraw/zinc/21/79/74/847217974.db2.gz XMTNSJZLJUUBQZ-UHFFFAOYSA-N 1 1 382.283 3.976 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000501878142 847297910 /nfs/dbraw/zinc/29/79/10/847297910.db2.gz YBTMYRICLFEKCN-NRFANRHFSA-N 1 1 385.464 3.587 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000127697141 847320570 /nfs/dbraw/zinc/32/05/70/847320570.db2.gz CBIBJCSAJHUWCE-MRXNPFEDSA-N 1 1 382.464 3.950 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000127697141 847320580 /nfs/dbraw/zinc/32/05/80/847320580.db2.gz CBIBJCSAJHUWCE-MRXNPFEDSA-N 1 1 382.464 3.950 20 5 GHBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000137214736 847374899 /nfs/dbraw/zinc/37/48/99/847374899.db2.gz IBYPQORUVGPTMH-CQSZACIVSA-N 1 1 390.509 3.914 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000582503398 847420287 /nfs/dbraw/zinc/42/02/87/847420287.db2.gz IAHRAKORNPWJBG-OAHLLOKOSA-N 1 1 387.411 3.561 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000511141858 847421112 /nfs/dbraw/zinc/42/11/12/847421112.db2.gz NLIGIOZRDKGQHQ-LLVKDONJSA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000511141858 847421120 /nfs/dbraw/zinc/42/11/20/847421120.db2.gz NLIGIOZRDKGQHQ-LLVKDONJSA-N 1 1 393.793 3.529 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)Nc2ccc([NH+]3CCCC3)cc2C)c([N+](=O)[O-])c1 ZINC000052774241 847942257 /nfs/dbraw/zinc/94/22/57/847942257.db2.gz BPAZAZAQPTUEKX-HNNXBMFYSA-N 1 1 398.463 3.951 20 5 GHBDMO CCOc1cc(C[N@@H+](C)C(C)(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000582666846 847972442 /nfs/dbraw/zinc/97/24/42/847972442.db2.gz KCRWXOLJJXOSPR-UHFFFAOYSA-N 1 1 390.484 3.808 20 5 GHBDMO CC1(C)CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000611707347 848040853 /nfs/dbraw/zinc/04/08/53/848040853.db2.gz NVVYIVSVDLRDMC-UHFFFAOYSA-N 1 1 377.448 3.639 20 5 GHBDMO COc1ccc2c(c1)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C1CCCCC1)C2 ZINC000444747175 861880204 /nfs/dbraw/zinc/88/02/04/861880204.db2.gz IIELZFSWKGNSIK-IBGZPJMESA-N 1 1 384.480 3.844 20 5 GHBDMO COc1ccc2c(c1)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C1CCCCC1)C2 ZINC000444747175 861880230 /nfs/dbraw/zinc/88/02/30/861880230.db2.gz IIELZFSWKGNSIK-IBGZPJMESA-N 1 1 384.480 3.844 20 5 GHBDMO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611713965 848285128 /nfs/dbraw/zinc/28/51/28/848285128.db2.gz NWEUGOKIHPPRGX-RDJZCZTQSA-N 1 1 377.448 3.861 20 5 GHBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000052193115 849355798 /nfs/dbraw/zinc/35/57/98/849355798.db2.gz ASJCVDPOOLAJCM-UHFFFAOYSA-N 1 1 376.482 3.668 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000505514769 849755467 /nfs/dbraw/zinc/75/54/67/849755467.db2.gz LGYRZMXHMQSNNK-IBGZPJMESA-N 1 1 377.510 3.653 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000434907508 849892028 /nfs/dbraw/zinc/89/20/28/849892028.db2.gz XONCQNJWPMPQPQ-RVKKMQEKSA-N 1 1 383.448 3.808 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000518765663 850061937 /nfs/dbraw/zinc/06/19/37/850061937.db2.gz VNDVULVMSIUGIQ-KRWDZBQOSA-N 1 1 391.418 3.950 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000518765663 850061949 /nfs/dbraw/zinc/06/19/49/850061949.db2.gz VNDVULVMSIUGIQ-KRWDZBQOSA-N 1 1 391.418 3.950 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000504777585 850294007 /nfs/dbraw/zinc/29/40/07/850294007.db2.gz FHEKAUBQDBQPAH-UHFFFAOYSA-N 1 1 398.463 3.562 20 5 GHBDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435330778 850377656 /nfs/dbraw/zinc/37/76/56/850377656.db2.gz WEBYTKFNGQGHIJ-LBPRGKRZSA-N 1 1 399.289 3.519 20 5 GHBDMO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435374645 850421977 /nfs/dbraw/zinc/42/19/77/850421977.db2.gz JEPVPPBCGOQDHQ-NWDGAFQWSA-N 1 1 394.269 3.786 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@@H](c4ccc(Cl)cc4)C3)n2)c1 ZINC000732186550 862129028 /nfs/dbraw/zinc/12/90/28/862129028.db2.gz JQTDNRMODHMZLF-MRXNPFEDSA-N 1 1 383.839 3.954 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000504916085 850447989 /nfs/dbraw/zinc/44/79/89/850447989.db2.gz YKJLHNQSGRKDNI-ZDUSSCGKSA-N 1 1 388.855 3.817 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000426525081 850567444 /nfs/dbraw/zinc/56/74/44/850567444.db2.gz RGOJSKBSEPIBIM-JOCHJYFZSA-N 1 1 398.459 3.529 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425425351 851017224 /nfs/dbraw/zinc/01/72/24/851017224.db2.gz YGKDXRYRDSGNBC-AWEZNQCLSA-N 1 1 382.302 3.521 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]CC2([S@](C)=O)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000436301537 851437534 /nfs/dbraw/zinc/43/75/34/851437534.db2.gz ZPUYKWCGGCVSNV-QYBDOPJKSA-N 1 1 376.478 3.730 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000488443806 851492523 /nfs/dbraw/zinc/49/25/23/851492523.db2.gz VPJSESDNRVQUHR-GUTXKFCHSA-N 1 1 397.422 3.674 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505482792 851525557 /nfs/dbraw/zinc/52/55/57/851525557.db2.gz BYZRRSAFUKUQJB-FQEVSTJZSA-N 1 1 394.475 3.518 20 5 GHBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000488513113 851576441 /nfs/dbraw/zinc/57/64/41/851576441.db2.gz KBNPQABAZGYZCR-OXQOHEQNSA-N 1 1 381.476 3.798 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000488532380 851589566 /nfs/dbraw/zinc/58/95/66/851589566.db2.gz NGIHMPCNWJBLKK-CRAIPNDOSA-N 1 1 392.459 3.717 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434738090 851603686 /nfs/dbraw/zinc/60/36/86/851603686.db2.gz QZMCBPFIDGJNTM-JOCHJYFZSA-N 1 1 397.475 3.904 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000425546325 851612700 /nfs/dbraw/zinc/61/27/00/851612700.db2.gz DPXMMRLLYPVBQT-KXBFYZLASA-N 1 1 387.480 3.511 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000175170629 851760663 /nfs/dbraw/zinc/76/06/63/851760663.db2.gz PZASWGBORSEORL-CRAIPNDOSA-N 1 1 388.493 3.539 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccnc(Oc3ccccc3)c1)OCCO2 ZINC000604532245 862284096 /nfs/dbraw/zinc/28/40/96/862284096.db2.gz PRGZSQZDNGDFIQ-UHFFFAOYSA-N 1 1 393.399 3.843 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC000473762693 851855098 /nfs/dbraw/zinc/85/50/98/851855098.db2.gz GUGIRNKVGXCHMP-UHFFFAOYSA-N 1 1 383.383 3.858 20 5 GHBDMO CC(C)c1ccc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000516209649 852292266 /nfs/dbraw/zinc/29/22/66/852292266.db2.gz GKGGHKDWGSWJJU-QGZVFWFLSA-N 1 1 385.464 3.818 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000429176217 862343558 /nfs/dbraw/zinc/34/35/58/862343558.db2.gz WSQZZEGGXPWDJP-MRXNPFEDSA-N 1 1 391.880 3.714 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000506262422 852510193 /nfs/dbraw/zinc/51/01/93/852510193.db2.gz DQYRXZRQZITCFU-HOTGVXAUSA-N 1 1 379.526 3.704 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556859850 862366393 /nfs/dbraw/zinc/36/63/93/862366393.db2.gz YYRKMMPTLLPAMT-PXNSSMCTSA-N 1 1 385.512 3.662 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000489742674 852565459 /nfs/dbraw/zinc/56/54/59/852565459.db2.gz NQPMLPDUCXVUNK-CYBMUJFWSA-N 1 1 398.385 3.606 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425669791 852586970 /nfs/dbraw/zinc/58/69/70/852586970.db2.gz PRXNRLTVECNBLH-GHTZIAJQSA-N 1 1 394.475 3.950 20 5 GHBDMO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000489768908 852596909 /nfs/dbraw/zinc/59/69/09/852596909.db2.gz FVRZPFKPVOYJHU-MJGOQNOKSA-N 1 1 396.491 3.520 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000489848124 852605568 /nfs/dbraw/zinc/60/55/68/852605568.db2.gz XQKWIYPXUGCHGA-CYBMUJFWSA-N 1 1 398.385 3.606 20 5 GHBDMO COc1ccc(OCC[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000438651796 852683346 /nfs/dbraw/zinc/68/33/46/852683346.db2.gz NLFODDSJBGPVGT-UHFFFAOYSA-N 1 1 394.431 3.648 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000490028785 852713288 /nfs/dbraw/zinc/71/32/88/852713288.db2.gz HMEDMOYCFNVOPU-CQSZACIVSA-N 1 1 383.477 3.791 20 5 GHBDMO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490285810 852899111 /nfs/dbraw/zinc/89/91/11/852899111.db2.gz KAKMAWIQXNMIBR-IEBWSBKVSA-N 1 1 395.503 3.899 20 5 GHBDMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490402781 853011993 /nfs/dbraw/zinc/01/19/93/853011993.db2.gz WAZSFWOQWIBVSG-FQEVSTJZSA-N 1 1 393.487 3.998 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000517203657 853512415 /nfs/dbraw/zinc/51/24/15/853512415.db2.gz ZYBPBPPQVRVUEP-IBGZPJMESA-N 1 1 386.448 3.793 20 5 GHBDMO NC(=O)c1ccc(C[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000439329306 853560166 /nfs/dbraw/zinc/56/01/66/853560166.db2.gz XTTVCRFZRBRQPU-UHFFFAOYSA-N 1 1 391.830 3.808 20 5 GHBDMO CC(C)(C)[N@H+]1C[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)[C@H](C(F)(F)F)C1 ZINC000426394837 853683994 /nfs/dbraw/zinc/68/39/94/853683994.db2.gz GKIVJHZVAVFQNC-CHWSQXEVSA-N 1 1 398.385 3.945 20 5 GHBDMO COc1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000571094315 853739449 /nfs/dbraw/zinc/73/94/49/853739449.db2.gz NEGKBJPWHTXUIZ-QGZVFWFLSA-N 1 1 389.521 3.927 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[N@H+]1C ZINC000438490098 853954063 /nfs/dbraw/zinc/95/40/63/853954063.db2.gz KJJSYURFRHQVGY-HOCLYGCPSA-N 1 1 384.436 3.991 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2c(Br)cncc2[N+](=O)[O-])c1 ZINC000302004850 853959976 /nfs/dbraw/zinc/95/99/76/853959976.db2.gz ZNWXLQDFTWEYQR-UHFFFAOYSA-N 1 1 379.258 3.816 20 5 GHBDMO COc1c(O)ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000894912551 854206287 /nfs/dbraw/zinc/20/62/87/854206287.db2.gz GBWXOTISRXHDAO-FQEVSTJZSA-N 1 1 384.432 3.663 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000894912551 854206294 /nfs/dbraw/zinc/20/62/94/854206294.db2.gz GBWXOTISRXHDAO-FQEVSTJZSA-N 1 1 384.432 3.663 20 5 GHBDMO CCN(C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458894487 854477465 /nfs/dbraw/zinc/47/74/65/854477465.db2.gz YQYYQHZQLTXMKK-LAUBAEHRSA-N 1 1 396.491 3.962 20 5 GHBDMO COc1ccc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000589326416 854792148 /nfs/dbraw/zinc/79/21/48/854792148.db2.gz FSXQXMLWUSPVDK-FQEVSTJZSA-N 1 1 383.492 3.995 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000186276783 854829292 /nfs/dbraw/zinc/82/92/92/854829292.db2.gz KFQMHVPYXURQNX-OAHLLOKOSA-N 1 1 387.455 3.994 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000589494615 854908281 /nfs/dbraw/zinc/90/82/81/854908281.db2.gz JIWXHXWAZDLSMT-UHFFFAOYSA-N 1 1 384.432 3.563 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H](C)Cc2ccc(OC)cc2)c1 ZINC000589503301 854912489 /nfs/dbraw/zinc/91/24/89/854912489.db2.gz PSCKVUFJARTLQL-HNNXBMFYSA-N 1 1 386.448 3.701 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)c1 ZINC000589510603 854972240 /nfs/dbraw/zinc/97/22/40/854972240.db2.gz NKAPOURDHNONMM-VLIAUNLRSA-N 1 1 384.432 3.973 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589513558 854973257 /nfs/dbraw/zinc/97/32/57/854973257.db2.gz FSUMEXITMYYYRG-NRFANRHFSA-N 1 1 386.448 3.545 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000553449811 855024186 /nfs/dbraw/zinc/02/41/86/855024186.db2.gz ZVYVFYATFZHRDY-UONOGXRCSA-N 1 1 383.477 3.699 20 5 GHBDMO CC(C)(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@H+]1CCc2ccccc2C1 ZINC000056847148 855098252 /nfs/dbraw/zinc/09/82/52/855098252.db2.gz WVPWTCDYHLGASS-UHFFFAOYSA-N 1 1 392.459 3.643 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000057076595 855204996 /nfs/dbraw/zinc/20/49/96/855204996.db2.gz FTEBUMQYQXDSMT-UHFFFAOYSA-N 1 1 392.459 3.733 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000553739851 855382186 /nfs/dbraw/zinc/38/21/86/855382186.db2.gz ASNFXOPKIMJOOS-UHFFFAOYSA-N 1 1 391.443 3.585 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553818627 855473671 /nfs/dbraw/zinc/47/36/71/855473671.db2.gz BCDGMGAYTNEZIO-FXAWDEMLSA-N 1 1 396.491 3.614 20 5 GHBDMO C[C@H](NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000465666045 855544945 /nfs/dbraw/zinc/54/49/45/855544945.db2.gz RGPPJRDXUZQEFR-ROUUACIJSA-N 1 1 396.491 3.962 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553889695 855605912 /nfs/dbraw/zinc/60/59/12/855605912.db2.gz MBQGNRXAHLPGTK-KRWDZBQOSA-N 1 1 390.528 3.679 20 5 GHBDMO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(C)(C)C1 ZINC000184724755 855674087 /nfs/dbraw/zinc/67/40/87/855674087.db2.gz GJYLEKLDRHRJEL-UHFFFAOYSA-N 1 1 391.855 3.951 20 5 GHBDMO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(C)(C)C1 ZINC000184724755 855674096 /nfs/dbraw/zinc/67/40/96/855674096.db2.gz GJYLEKLDRHRJEL-UHFFFAOYSA-N 1 1 391.855 3.951 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H]1C1CC1)Nc1cc(N2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000591013122 855721171 /nfs/dbraw/zinc/72/11/71/855721171.db2.gz WKTZOJGRAOUNPH-UXHICEINSA-N 1 1 398.507 3.787 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000591278627 855880023 /nfs/dbraw/zinc/88/00/23/855880023.db2.gz ZYZXCDNFWZMXFO-LJQANCHMSA-N 1 1 391.475 3.679 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131437318 856119212 /nfs/dbraw/zinc/11/92/12/856119212.db2.gz DAZAASWBSABGRL-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131437318 856119217 /nfs/dbraw/zinc/11/92/17/856119217.db2.gz DAZAASWBSABGRL-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000053125073 856167168 /nfs/dbraw/zinc/16/71/68/856167168.db2.gz UGYHVOQOQAGAPR-ZDUSSCGKSA-N 1 1 375.400 3.764 20 5 GHBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000536485881 856221675 /nfs/dbraw/zinc/22/16/75/856221675.db2.gz ROHAZYLBZXVDGA-UHFFFAOYSA-N 1 1 384.480 3.804 20 5 GHBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000171852424 856287360 /nfs/dbraw/zinc/28/73/60/856287360.db2.gz HSKNBQAHIVQRMN-IHWFROFDSA-N 1 1 394.475 3.590 20 5 GHBDMO CCOc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000499436077 856318537 /nfs/dbraw/zinc/31/85/37/856318537.db2.gz NESPOEQNSIBYQU-DLBZAZTESA-N 1 1 397.475 3.729 20 5 GHBDMO CCOc1ccc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000499436077 856318548 /nfs/dbraw/zinc/31/85/48/856318548.db2.gz NESPOEQNSIBYQU-DLBZAZTESA-N 1 1 397.475 3.729 20 5 GHBDMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429230154 856320807 /nfs/dbraw/zinc/32/08/07/856320807.db2.gz KDRNHZZMLCGJEH-CYBMUJFWSA-N 1 1 391.418 3.917 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1csc([N+](=O)[O-])c1 ZINC000172230603 856375048 /nfs/dbraw/zinc/37/50/48/856375048.db2.gz RTZQFFATOSOPBP-CQSZACIVSA-N 1 1 399.394 3.679 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1csc([N+](=O)[O-])c1 ZINC000172230603 856375053 /nfs/dbraw/zinc/37/50/53/856375053.db2.gz RTZQFFATOSOPBP-CQSZACIVSA-N 1 1 399.394 3.679 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC000592187240 856790488 /nfs/dbraw/zinc/79/04/88/856790488.db2.gz MSGFBHZWQFJCBX-PZJWPPBQSA-N 1 1 380.444 3.728 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000508119117 856950343 /nfs/dbraw/zinc/95/03/43/856950343.db2.gz KMQJPEPLQOYNGF-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000508119117 856950357 /nfs/dbraw/zinc/95/03/57/856950357.db2.gz KMQJPEPLQOYNGF-QGZVFWFLSA-N 1 1 383.448 3.639 20 5 GHBDMO COc1ccccc1C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H]1CCCO1 ZINC000485743577 857035089 /nfs/dbraw/zinc/03/50/89/857035089.db2.gz KIAOULOVRDMZGZ-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1ccccc1C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H]1CCCO1 ZINC000485743577 857035093 /nfs/dbraw/zinc/03/50/93/857035093.db2.gz KIAOULOVRDMZGZ-SFHVURJKSA-N 1 1 386.448 3.793 20 5 GHBDMO O=[N+]([O-])c1cccnc1NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000301671801 857057338 /nfs/dbraw/zinc/05/73/38/857057338.db2.gz ORAPGCATMYMBMA-UHFFFAOYSA-N 1 1 391.269 3.829 20 5 GHBDMO CC[C@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000245738385 857155105 /nfs/dbraw/zinc/15/51/05/857155105.db2.gz LHQMGGKVOOXZFT-PMACEKPBSA-N 1 1 382.464 3.608 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC000429245048 857165236 /nfs/dbraw/zinc/16/52/36/857165236.db2.gz NPMYNROGAZBJTR-UHFFFAOYSA-N 1 1 392.253 3.821 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[C@H]1c1ccccc1 ZINC000245788295 857173102 /nfs/dbraw/zinc/17/31/02/857173102.db2.gz NGLKEKRGPDMGHJ-LEWJYISDSA-N 1 1 394.475 3.714 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)co2)cc1 ZINC000245857564 857183823 /nfs/dbraw/zinc/18/38/23/857183823.db2.gz KIRJWVKNEZFTON-JXFKEZNVSA-N 1 1 382.464 3.699 20 5 GHBDMO C[C@H](NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174183514 857222532 /nfs/dbraw/zinc/22/25/32/857222532.db2.gz NFAIOPYLQPUXBA-UWJYYQICSA-N 1 1 396.491 3.962 20 5 GHBDMO CCc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000174215112 857227681 /nfs/dbraw/zinc/22/76/81/857227681.db2.gz XXZPQSOQXJYRNS-FQEVSTJZSA-N 1 1 396.491 3.679 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)c([N+](=O)[O-])c1 ZINC000112978973 857243463 /nfs/dbraw/zinc/24/34/63/857243463.db2.gz HSLIXJSQIZXLRO-UHFFFAOYSA-N 1 1 399.447 3.550 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](Cc2cccc(O)c2)CC2CC2)c([N+](=O)[O-])c1 ZINC000112978973 857243472 /nfs/dbraw/zinc/24/34/72/857243472.db2.gz HSLIXJSQIZXLRO-UHFFFAOYSA-N 1 1 399.447 3.550 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246173953 857264676 /nfs/dbraw/zinc/26/46/76/857264676.db2.gz CVEPUGPGCIVWEJ-WMQCIHAUSA-N 1 1 397.475 3.676 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000485977129 857287784 /nfs/dbraw/zinc/28/77/84/857287784.db2.gz KBZVTLKJFMYNHH-AZUAARDMSA-N 1 1 384.386 3.700 20 5 GHBDMO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174956224 857413213 /nfs/dbraw/zinc/41/32/13/857413213.db2.gz USFBMJVPTDHPBP-FQEVSTJZSA-N 1 1 397.475 3.558 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000175183031 857459477 /nfs/dbraw/zinc/45/94/77/857459477.db2.gz ZLZKFXKWKLBCKM-CYBMUJFWSA-N 1 1 383.404 3.809 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000175183031 857459481 /nfs/dbraw/zinc/45/94/81/857459481.db2.gz ZLZKFXKWKLBCKM-CYBMUJFWSA-N 1 1 383.404 3.809 20 5 GHBDMO O=C(OC[C@@H]1CCC[N@@H+]1Cc1ccco1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000765966493 857482196 /nfs/dbraw/zinc/48/21/96/857482196.db2.gz GJDJENJOYHCLQC-KRWDZBQOSA-N 1 1 399.447 3.609 20 5 GHBDMO O=C(OC[C@@H]1CCC[N@H+]1Cc1ccco1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000765966493 857482198 /nfs/dbraw/zinc/48/21/98/857482198.db2.gz GJDJENJOYHCLQC-KRWDZBQOSA-N 1 1 399.447 3.609 20 5 GHBDMO Cc1nn(C)c(NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000521012445 857498739 /nfs/dbraw/zinc/49/87/39/857498739.db2.gz IEYJYMRMCBGESP-INIZCTEOSA-N 1 1 377.876 3.757 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCC[N@@H+]2Cc2ccco2)c1 ZINC000765970349 857703349 /nfs/dbraw/zinc/70/33/49/857703349.db2.gz VPYGTPSVCIDEQF-ZDUSSCGKSA-N 1 1 376.434 3.731 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCC[N@H+]2Cc2ccco2)c1 ZINC000765970349 857703358 /nfs/dbraw/zinc/70/33/58/857703358.db2.gz VPYGTPSVCIDEQF-ZDUSSCGKSA-N 1 1 376.434 3.731 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000058883382 857718153 /nfs/dbraw/zinc/71/81/53/857718153.db2.gz IONUSJKNGHESPC-FUHIMQAGSA-N 1 1 388.512 3.651 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442410883 857822070 /nfs/dbraw/zinc/82/20/70/857822070.db2.gz NQCMOAFBRZQMNS-HNNXBMFYSA-N 1 1 385.489 3.960 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001128347337 857908271 /nfs/dbraw/zinc/90/82/71/857908271.db2.gz LKXBUXHVYROBON-BHDDXSALSA-N 1 1 393.487 3.725 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000114193568 857935877 /nfs/dbraw/zinc/93/58/77/857935877.db2.gz KWYWBNUYUCDJFT-NRFANRHFSA-N 1 1 397.475 3.604 20 5 GHBDMO CC(C)[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000486713567 858016930 /nfs/dbraw/zinc/01/69/30/858016930.db2.gz QBCMDDZJESXTKH-UHFFFAOYSA-N 1 1 384.432 3.849 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001271056972 858039545 /nfs/dbraw/zinc/03/95/45/858039545.db2.gz KVVDAQABNBGGOU-IEBWSBKVSA-N 1 1 379.460 3.968 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000553170902 858084809 /nfs/dbraw/zinc/08/48/09/858084809.db2.gz FNNTYZXAMLGGSJ-UHFFFAOYSA-N 1 1 393.365 3.570 20 5 GHBDMO COc1cc(C[N@@H+](C[C@H](C)O)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594614781 858242310 /nfs/dbraw/zinc/24/23/10/858242310.db2.gz KGNSOYFPOIAMIL-HNNXBMFYSA-N 1 1 386.448 3.528 20 5 GHBDMO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595017020 858352181 /nfs/dbraw/zinc/35/21/81/858352181.db2.gz YHXIKORAOLIZBE-HUUCEWRRSA-N 1 1 385.464 3.983 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301867429 858381120 /nfs/dbraw/zinc/38/11/20/858381120.db2.gz BUYNKWCLJYGPBN-HNNXBMFYSA-N 1 1 380.452 3.624 20 5 GHBDMO COc1ccc(C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000595354050 858516726 /nfs/dbraw/zinc/51/67/26/858516726.db2.gz MAXGIJPQNYJHPZ-IBGZPJMESA-N 1 1 397.431 3.982 20 5 GHBDMO COc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C)cc1 ZINC000522030988 858549400 /nfs/dbraw/zinc/54/94/00/858549400.db2.gz UCGKYZSPSXMDHC-KRWDZBQOSA-N 1 1 388.464 3.644 20 5 GHBDMO COc1cc(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c([N+](=O)[O-])cc1F ZINC000595526594 858552191 /nfs/dbraw/zinc/55/21/91/858552191.db2.gz UMAWKRWUOKVGHN-UHFFFAOYSA-N 1 1 389.431 3.594 20 5 GHBDMO COc1cc(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c([N+](=O)[O-])cc1F ZINC000595526594 858552198 /nfs/dbraw/zinc/55/21/98/858552198.db2.gz UMAWKRWUOKVGHN-UHFFFAOYSA-N 1 1 389.431 3.594 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(Cc4nc5ccccc5[nH]4)CC3)nc2c1 ZINC000595552275 858564312 /nfs/dbraw/zinc/56/43/12/858564312.db2.gz SDPAGZUBGKZANG-UHFFFAOYSA-N 1 1 390.447 3.802 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000575124245 858572891 /nfs/dbraw/zinc/57/28/91/858572891.db2.gz YBZSLAHFXVKXNN-UTKZUKDTSA-N 1 1 396.491 3.644 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000543140653 858587208 /nfs/dbraw/zinc/58/72/08/858587208.db2.gz YNJXARJLXVSCJY-YJBOKZPZSA-N 1 1 392.402 3.840 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000543140653 858587213 /nfs/dbraw/zinc/58/72/13/858587213.db2.gz YNJXARJLXVSCJY-YJBOKZPZSA-N 1 1 392.402 3.840 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595880838 858704790 /nfs/dbraw/zinc/70/47/90/858704790.db2.gz ZWXNWDVPXJOJOG-BUVFEPMLSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595880838 858704798 /nfs/dbraw/zinc/70/47/98/858704798.db2.gz ZWXNWDVPXJOJOG-BUVFEPMLSA-N 1 1 397.475 3.533 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000595877888 858724841 /nfs/dbraw/zinc/72/48/41/858724841.db2.gz LFYALFJTDCOFIB-GOEBONIOSA-N 1 1 383.448 3.592 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)ccn1 ZINC000856535457 881347553 /nfs/dbraw/zinc/34/75/53/881347553.db2.gz ZFKGVEUBFQVNDA-QGZVFWFLSA-N 1 1 388.443 3.627 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000429283010 858924582 /nfs/dbraw/zinc/92/45/82/858924582.db2.gz HRLBCXFHHIZROB-LLVKDONJSA-N 1 1 376.425 3.780 20 5 GHBDMO Cc1cc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)cc([N+](=O)[O-])c1 ZINC000596614035 858968365 /nfs/dbraw/zinc/96/83/65/858968365.db2.gz OZYOTVSPBYRMAN-DNVCBOLYSA-N 1 1 394.431 3.915 20 5 GHBDMO Cc1cc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)cc([N+](=O)[O-])c1 ZINC000596614035 858968380 /nfs/dbraw/zinc/96/83/80/858968380.db2.gz OZYOTVSPBYRMAN-DNVCBOLYSA-N 1 1 394.431 3.915 20 5 GHBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543252889 859040640 /nfs/dbraw/zinc/04/06/40/859040640.db2.gz RKZCMUILRMNBAC-OLZOCXBDSA-N 1 1 385.917 3.577 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483111306 859155013 /nfs/dbraw/zinc/15/50/13/859155013.db2.gz MYXIBDIXDMNXAF-HIFRSBDPSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483111306 859155018 /nfs/dbraw/zinc/15/50/18/859155018.db2.gz MYXIBDIXDMNXAF-HIFRSBDPSA-N 1 1 387.411 3.559 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)sc2C1 ZINC000543316033 859245030 /nfs/dbraw/zinc/24/50/30/859245030.db2.gz JFYFXEDTGVEWKR-UHFFFAOYSA-N 1 1 385.449 3.551 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)sc2C1 ZINC000543316033 859245044 /nfs/dbraw/zinc/24/50/44/859245044.db2.gz JFYFXEDTGVEWKR-UHFFFAOYSA-N 1 1 385.449 3.551 20 5 GHBDMO CC(C)[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccccc1 ZINC000474146816 859310375 /nfs/dbraw/zinc/31/03/75/859310375.db2.gz XWDNJYNARYSAEJ-QGZVFWFLSA-N 1 1 387.505 3.854 20 5 GHBDMO COc1cc(C[NH+]2CCC(c3ccccn3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000611090556 859605955 /nfs/dbraw/zinc/60/59/55/859605955.db2.gz MCRNCHAGGHMELH-UHFFFAOYSA-N 1 1 393.390 3.979 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000611170548 859633398 /nfs/dbraw/zinc/63/33/98/859633398.db2.gz ZCDBIHVDYOJNAS-INIZCTEOSA-N 1 1 379.420 3.728 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000611170548 859633399 /nfs/dbraw/zinc/63/33/99/859633399.db2.gz ZCDBIHVDYOJNAS-INIZCTEOSA-N 1 1 379.420 3.728 20 5 GHBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000611205199 859650261 /nfs/dbraw/zinc/65/02/61/859650261.db2.gz NBKJVDMSYSJURN-UWJYYQICSA-N 1 1 397.475 3.941 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c([N+](=O)[O-])c1 ZINC001170345063 881447396 /nfs/dbraw/zinc/44/73/96/881447396.db2.gz GYHQXPSAQHXUIF-GUYCJALGSA-N 1 1 392.402 3.966 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000611262786 859672132 /nfs/dbraw/zinc/67/21/32/859672132.db2.gz SITLKIKSTFNWFU-QGZVFWFLSA-N 1 1 384.432 3.582 20 5 GHBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611265574 859672840 /nfs/dbraw/zinc/67/28/40/859672840.db2.gz GEPXDCCQJIOZHP-ZIAGYGMSSA-N 1 1 377.510 3.794 20 5 GHBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611265574 859672844 /nfs/dbraw/zinc/67/28/44/859672844.db2.gz GEPXDCCQJIOZHP-ZIAGYGMSSA-N 1 1 377.510 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3Cn3cnc4ccccc43)nc2c1 ZINC000611281859 859680678 /nfs/dbraw/zinc/68/06/78/859680678.db2.gz IPOOGDWFGWPKKX-OAHLLOKOSA-N 1 1 377.404 3.750 20 5 GHBDMO Cc1nn(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765013170 859728303 /nfs/dbraw/zinc/72/83/03/859728303.db2.gz YZMITKFDUXHCQB-WMZOPIPTSA-N 1 1 385.512 3.797 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765035283 859742124 /nfs/dbraw/zinc/74/21/24/859742124.db2.gz FJCPGCISRXUUFW-GOSISDBHSA-N 1 1 380.448 3.749 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000611554403 859802832 /nfs/dbraw/zinc/80/28/32/859802832.db2.gz OOBPEHOTPJHMEJ-NWDGAFQWSA-N 1 1 389.374 3.595 20 5 GHBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000474346284 859891671 /nfs/dbraw/zinc/89/16/71/859891671.db2.gz PLXFNQJTCQITHJ-UHFFFAOYSA-N 1 1 399.230 3.743 20 5 GHBDMO Cc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000154305742 860058515 /nfs/dbraw/zinc/05/85/15/860058515.db2.gz HXTINETUFXXCII-WOJBJXKFSA-N 1 1 389.883 3.718 20 5 GHBDMO COc1cc(C[N@H+](C)Cc2cnccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092591723 860084774 /nfs/dbraw/zinc/08/47/74/860084774.db2.gz TXBFXSZZXKNRPV-UHFFFAOYSA-N 1 1 394.431 3.604 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2cnccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092591723 860084785 /nfs/dbraw/zinc/08/47/85/860084785.db2.gz TXBFXSZZXKNRPV-UHFFFAOYSA-N 1 1 394.431 3.604 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(n3cncn3)CC2)ccc1Oc1ccc(F)cc1 ZINC000092648033 860094929 /nfs/dbraw/zinc/09/49/29/860094929.db2.gz LEOKWPPWJVVKRD-UHFFFAOYSA-N 1 1 397.410 3.955 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218522 860164103 /nfs/dbraw/zinc/16/41/03/860164103.db2.gz HBWONKONNJMHSG-GJZGRUSLSA-N 1 1 377.510 3.599 20 5 GHBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000895972083 860182142 /nfs/dbraw/zinc/18/21/42/860182142.db2.gz PRVUSSLYBMXIPR-SECBINFHSA-N 1 1 378.231 3.502 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1C ZINC000895992873 860224747 /nfs/dbraw/zinc/22/47/47/860224747.db2.gz ABKYRWIWAGHEJL-MRXNPFEDSA-N 1 1 387.505 3.915 20 5 GHBDMO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3cn(C)nc3[N+](=O)[O-])s2)cc1 ZINC000602812012 860294626 /nfs/dbraw/zinc/29/46/26/860294626.db2.gz RMHGGDBUIZBQRE-NSHDSACASA-N 1 1 387.465 3.620 20 5 GHBDMO Cc1ccc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000093815511 860355134 /nfs/dbraw/zinc/35/51/34/860355134.db2.gz XOZAFUZRUHRVAZ-KRWDZBQOSA-N 1 1 379.254 3.831 20 5 GHBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000093840373 860361019 /nfs/dbraw/zinc/36/10/19/860361019.db2.gz VVOGMAVWWUBESO-QGZVFWFLSA-N 1 1 392.459 3.916 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(Cc4nccs4)CC3)n2)cc1 ZINC000602958031 860380999 /nfs/dbraw/zinc/38/09/99/860380999.db2.gz XFFFDEIBPPLKJN-UHFFFAOYSA-N 1 1 385.449 3.556 20 5 GHBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598558002 860394104 /nfs/dbraw/zinc/39/41/04/860394104.db2.gz BESIRNZTGMAENS-CQSZACIVSA-N 1 1 397.928 3.579 20 5 GHBDMO CCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555315205 860443216 /nfs/dbraw/zinc/44/32/16/860443216.db2.gz WLFXCCQRUYOHEP-UTKZUKDTSA-N 1 1 381.476 3.821 20 5 GHBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000542664526 860459725 /nfs/dbraw/zinc/45/97/25/860459725.db2.gz ZPRHNAWLKBWGMJ-GJZGRUSLSA-N 1 1 384.436 3.943 20 5 GHBDMO COc1ccc(CNCC(C)(C)[NH+](C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061015299 860541702 /nfs/dbraw/zinc/54/17/02/860541702.db2.gz JKHIBJHXCKZLMQ-UHFFFAOYSA-N 1 1 387.480 3.612 20 5 GHBDMO CC[N@H+](C)Cc1cc(O[C@H]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593073 881566698 /nfs/dbraw/zinc/56/66/98/881566698.db2.gz ZIBRFOSCTRTZRQ-LPHOPBHVSA-N 1 1 384.480 3.656 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593073 881566702 /nfs/dbraw/zinc/56/67/02/881566702.db2.gz ZIBRFOSCTRTZRQ-LPHOPBHVSA-N 1 1 384.480 3.656 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c(OC(F)F)c1 ZINC000509054026 860704384 /nfs/dbraw/zinc/70/43/84/860704384.db2.gz UVJJIURQRZVDRZ-UHFFFAOYSA-N 1 1 393.390 3.641 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170914686 860979717 /nfs/dbraw/zinc/97/97/17/860979717.db2.gz ONEGGWQKXAMBOZ-OAHLLOKOSA-N 1 1 393.484 3.729 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170914686 860979732 /nfs/dbraw/zinc/97/97/32/860979732.db2.gz ONEGGWQKXAMBOZ-OAHLLOKOSA-N 1 1 393.484 3.729 20 5 GHBDMO Cc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302044063 861184118 /nfs/dbraw/zinc/18/41/18/861184118.db2.gz XKAAGLXQMLOWCU-UHFFFAOYSA-N 1 1 392.463 3.939 20 5 GHBDMO Cc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000302053683 861188572 /nfs/dbraw/zinc/18/85/72/861188572.db2.gz PJGDLWGEGVSBQN-MRXNPFEDSA-N 1 1 375.856 3.735 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000062231114 863129756 /nfs/dbraw/zinc/12/97/56/863129756.db2.gz KIAHLSFWVFCNAE-MRXNPFEDSA-N 1 1 387.867 3.890 20 5 GHBDMO C[C@]1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCC[N@H+]1Cc1ccccc1 ZINC000428326540 863389739 /nfs/dbraw/zinc/38/97/39/863389739.db2.gz OOXICXAPEVYPQK-JOCHJYFZSA-N 1 1 392.459 3.861 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000063069727 864105252 /nfs/dbraw/zinc/10/52/52/864105252.db2.gz KYRJZJSTQCUEEX-QGZVFWFLSA-N 1 1 396.491 3.826 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000475103995 864203866 /nfs/dbraw/zinc/20/38/66/864203866.db2.gz OFINWXFQRCXKQV-ZMOVQZPESA-N 1 1 396.443 3.824 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)C1 ZINC000734482671 864247413 /nfs/dbraw/zinc/24/74/13/864247413.db2.gz SIHNUDPKFWDCHY-DZGCQCFKSA-N 1 1 378.498 3.753 20 5 GHBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)C[C@@H](C)O1 ZINC000071971383 864261717 /nfs/dbraw/zinc/26/17/17/864261717.db2.gz WKROTIPWHDSPCF-ZIAGYGMSSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000792877911 881765791 /nfs/dbraw/zinc/76/57/91/881765791.db2.gz WZRHKNZNECRLBZ-LBPRGKRZSA-N 1 1 384.392 3.702 20 5 GHBDMO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000173612185 864901125 /nfs/dbraw/zinc/90/11/25/864901125.db2.gz JYGQVYMMVHGZEU-CQSZACIVSA-N 1 1 375.856 3.889 20 5 GHBDMO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184920009 865043307 /nfs/dbraw/zinc/04/33/07/865043307.db2.gz XFPYXHDDRGMLKV-WBVHZDCISA-N 1 1 385.439 3.618 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185038588 865137730 /nfs/dbraw/zinc/13/77/30/865137730.db2.gz BSTIBYAIGRSSTQ-HNNXBMFYSA-N 1 1 379.476 3.808 20 5 GHBDMO C[C@@H]([NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480797712 865289453 /nfs/dbraw/zinc/28/94/53/865289453.db2.gz QJLZIKPNZCCLTB-XMSQKQJNSA-N 1 1 382.508 3.624 20 5 GHBDMO COc1c(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cccc1[N+](=O)[O-] ZINC000555217448 865734764 /nfs/dbraw/zinc/73/47/64/865734764.db2.gz LJRQBULIPVCURH-UHFFFAOYSA-N 1 1 390.465 3.688 20 5 GHBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000608915958 865813223 /nfs/dbraw/zinc/81/32/23/865813223.db2.gz PVUHCCDDEBRBBU-INIZCTEOSA-N 1 1 384.480 3.667 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4ccc(Cl)s4)CC3)nc2c1 ZINC000481181577 865940067 /nfs/dbraw/zinc/94/00/67/865940067.db2.gz ZPKIDFPTOMDDFB-UHFFFAOYSA-N 1 1 391.884 3.898 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000741122507 866247971 /nfs/dbraw/zinc/24/79/71/866247971.db2.gz CJKJXAHXLOTFLU-IFXJQAMLSA-N 1 1 388.395 3.592 20 5 GHBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534229023 866296887 /nfs/dbraw/zinc/29/68/87/866296887.db2.gz BEFSDHDJJGWXBX-UHFFFAOYSA-N 1 1 397.450 3.862 20 5 GHBDMO COc1ccc(COC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000741321369 866396225 /nfs/dbraw/zinc/39/62/25/866396225.db2.gz UREKHECDSTZBRP-SFHVURJKSA-N 1 1 384.432 3.559 20 5 GHBDMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456327574 866446935 /nfs/dbraw/zinc/44/69/35/866446935.db2.gz HRKLYHDNAQTYHM-SFHVURJKSA-N 1 1 381.476 3.508 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456337090 866497273 /nfs/dbraw/zinc/49/72/73/866497273.db2.gz ZPSUNGCBMSKUEX-GOOCMWNKSA-N 1 1 377.510 3.698 20 5 GHBDMO O=C(CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128206849 866564850 /nfs/dbraw/zinc/56/48/50/866564850.db2.gz WECXCBUQYOFODY-UHFFFAOYSA-N 1 1 385.395 3.557 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553174884 866908720 /nfs/dbraw/zinc/90/87/20/866908720.db2.gz KEPPYQVCVDZODP-NRFANRHFSA-N 1 1 399.878 3.986 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553174885 866909131 /nfs/dbraw/zinc/90/91/31/866909131.db2.gz KEPPYQVCVDZODP-OAQYLSRUSA-N 1 1 399.878 3.986 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOc3ccccc3C(F)(F)F)C2)nc1 ZINC000440494846 866972283 /nfs/dbraw/zinc/97/22/83/866972283.db2.gz AEYXANPMVJUWJB-CYBMUJFWSA-N 1 1 396.369 3.574 20 5 GHBDMO COc1ccc(CNCC[N@@H+]2CCC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000742387821 867254031 /nfs/dbraw/zinc/25/40/31/867254031.db2.gz XNWARRIHRULTOR-QGZVFWFLSA-N 1 1 399.491 3.756 20 5 GHBDMO COc1ccc(CNCC[N@H+]2CCC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000742387821 867254048 /nfs/dbraw/zinc/25/40/48/867254048.db2.gz XNWARRIHRULTOR-QGZVFWFLSA-N 1 1 399.491 3.756 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000742399813 867258629 /nfs/dbraw/zinc/25/86/29/867258629.db2.gz TVIIVYYCZJZAJM-MRXNPFEDSA-N 1 1 376.457 3.618 20 5 GHBDMO C[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000742962628 867700518 /nfs/dbraw/zinc/70/05/18/867700518.db2.gz NQAFTQNYXMQIHF-DVESRUBUSA-N 1 1 379.460 3.731 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442686134 867913819 /nfs/dbraw/zinc/91/38/19/867913819.db2.gz USDVKSRZBVDNCG-WMLDXEAASA-N 1 1 397.500 3.959 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000535301947 868531266 /nfs/dbraw/zinc/53/12/66/868531266.db2.gz FYKYBUHAHCOBTH-HNNXBMFYSA-N 1 1 392.362 3.504 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000535301947 868531275 /nfs/dbraw/zinc/53/12/75/868531275.db2.gz FYKYBUHAHCOBTH-HNNXBMFYSA-N 1 1 392.362 3.504 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000524143085 868592441 /nfs/dbraw/zinc/59/24/41/868592441.db2.gz GWHGPJBWUZAZSQ-UHFFFAOYSA-N 1 1 381.476 3.525 20 5 GHBDMO COc1ccc(CNc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000744447450 868850516 /nfs/dbraw/zinc/85/05/16/868850516.db2.gz PSZRPDBUAKEBGQ-INIZCTEOSA-N 1 1 385.464 3.936 20 5 GHBDMO Cc1ccc(F)cc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000445791378 868988982 /nfs/dbraw/zinc/98/89/82/868988982.db2.gz UYZQHRBAQTUWBQ-UHFFFAOYSA-N 1 1 383.427 3.631 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)cc1OC ZINC000446059602 869351088 /nfs/dbraw/zinc/35/10/88/869351088.db2.gz JIVFDXWUAKERTI-LIRRHRJNSA-N 1 1 380.485 3.621 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)C(C)(C)C2)cc1OC ZINC000446059602 869351097 /nfs/dbraw/zinc/35/10/97/869351097.db2.gz JIVFDXWUAKERTI-LIRRHRJNSA-N 1 1 380.485 3.621 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1OC ZINC000446059599 869351878 /nfs/dbraw/zinc/35/18/78/869351878.db2.gz JIVFDXWUAKERTI-AUUYWEPGSA-N 1 1 380.485 3.621 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)C(C)(C)C2)cc1OC ZINC000446059599 869351888 /nfs/dbraw/zinc/35/18/88/869351888.db2.gz JIVFDXWUAKERTI-AUUYWEPGSA-N 1 1 380.485 3.621 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539701576 869644418 /nfs/dbraw/zinc/64/44/18/869644418.db2.gz DCFUEBYMBVAXEM-WMLDXEAASA-N 1 1 394.834 3.669 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539701576 869644428 /nfs/dbraw/zinc/64/44/28/869644428.db2.gz DCFUEBYMBVAXEM-WMLDXEAASA-N 1 1 394.834 3.669 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000446312597 869684953 /nfs/dbraw/zinc/68/49/53/869684953.db2.gz VQNHOQMCILLTFN-HNNXBMFYSA-N 1 1 383.448 3.876 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945286 869912138 /nfs/dbraw/zinc/91/21/38/869912138.db2.gz UQGBRRLUABTRFS-QGZVFWFLSA-N 1 1 393.484 3.823 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945286 869912148 /nfs/dbraw/zinc/91/21/48/869912148.db2.gz UQGBRRLUABTRFS-QGZVFWFLSA-N 1 1 393.484 3.823 20 5 GHBDMO Cc1cccc(C[N@H+](CC(C)C)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000746053478 869980502 /nfs/dbraw/zinc/98/05/02/869980502.db2.gz HUEQOENQQXYKFR-UHFFFAOYSA-N 1 1 381.274 3.978 20 5 GHBDMO Cc1cccc(C[N@@H+](CC(C)C)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000746053478 869980512 /nfs/dbraw/zinc/98/05/12/869980512.db2.gz HUEQOENQQXYKFR-UHFFFAOYSA-N 1 1 381.274 3.978 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H]1O ZINC000539897531 869985139 /nfs/dbraw/zinc/98/51/39/869985139.db2.gz BBVHUTLUYUMYLM-ZBEGNZNMSA-N 1 1 395.253 3.820 20 5 GHBDMO Cc1nccc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 ZINC000525193022 870171978 /nfs/dbraw/zinc/17/19/78/870171978.db2.gz RCEHHBPXNACFOG-UHFFFAOYSA-N 1 1 395.488 3.744 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c(F)c1 ZINC000540054473 870316878 /nfs/dbraw/zinc/31/68/78/870316878.db2.gz RSDLAPGQBIOMBA-CQSZACIVSA-N 1 1 385.317 3.801 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c(F)c1 ZINC000540054473 870316900 /nfs/dbraw/zinc/31/69/00/870316900.db2.gz RSDLAPGQBIOMBA-CQSZACIVSA-N 1 1 385.317 3.801 20 5 GHBDMO CC[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584284 870466593 /nfs/dbraw/zinc/46/65/93/870466593.db2.gz BMTRUIMWFMKHML-YADHBBJMSA-N 1 1 383.492 3.927 20 5 GHBDMO CC[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584284 870466603 /nfs/dbraw/zinc/46/66/03/870466603.db2.gz BMTRUIMWFMKHML-YADHBBJMSA-N 1 1 383.492 3.927 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000525383025 870536442 /nfs/dbraw/zinc/53/64/42/870536442.db2.gz PPIHRFXWNKXUBC-SFHVURJKSA-N 1 1 395.503 3.995 20 5 GHBDMO CNc1c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000462998433 870619634 /nfs/dbraw/zinc/61/96/34/870619634.db2.gz WGHXDHKJZLQZNU-FZKQIMNGSA-N 1 1 388.493 3.511 20 5 GHBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)CC1 ZINC000171849675 870885571 /nfs/dbraw/zinc/88/55/71/870885571.db2.gz SHIRDEZELNEADI-UHFFFAOYSA-N 1 1 388.855 3.642 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)cn1 ZINC001212581712 870931228 /nfs/dbraw/zinc/93/12/28/870931228.db2.gz VZLAUKUGJQSMBC-MRXNPFEDSA-N 1 1 392.350 3.578 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC[C@H]4CCCC4(F)F)CC3)nc2c1 ZINC001193188497 870961105 /nfs/dbraw/zinc/96/11/05/870961105.db2.gz MLXLZABGUVYFJJ-CQSZACIVSA-N 1 1 393.438 3.809 20 5 GHBDMO Cc1cnc(C2CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)s1 ZINC000617883404 870981280 /nfs/dbraw/zinc/98/12/80/870981280.db2.gz OZVJRUSUTYYIEK-UHFFFAOYSA-N 1 1 375.450 3.511 20 5 GHBDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001193271629 870994177 /nfs/dbraw/zinc/99/41/77/870994177.db2.gz BDNDCIZVMXXOMU-CABCVRRESA-N 1 1 383.448 3.940 20 5 GHBDMO O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035856 871113658 /nfs/dbraw/zinc/11/36/58/871113658.db2.gz DMQYVILNOQSTMN-COPCDDAFSA-N 1 1 394.471 3.602 20 5 GHBDMO O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035856 871113664 /nfs/dbraw/zinc/11/36/64/871113664.db2.gz DMQYVILNOQSTMN-COPCDDAFSA-N 1 1 394.471 3.602 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000251933934 871395527 /nfs/dbraw/zinc/39/55/27/871395527.db2.gz YZHYRPXRJJYWBZ-JKSUJKDBSA-N 1 1 383.448 3.653 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000251933934 871395544 /nfs/dbraw/zinc/39/55/44/871395544.db2.gz YZHYRPXRJJYWBZ-JKSUJKDBSA-N 1 1 383.448 3.653 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000441258697 871589155 /nfs/dbraw/zinc/58/91/55/871589155.db2.gz UISLPTQNJTZNDN-UHFFFAOYSA-N 1 1 382.363 3.716 20 5 GHBDMO Cc1cccc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1[N+](=O)[O-] ZINC001169520374 871593301 /nfs/dbraw/zinc/59/33/01/871593301.db2.gz PDUSISGLFISRNT-IEBWSBKVSA-N 1 1 383.448 3.774 20 5 GHBDMO CC[N@H+](C[C@H](C)OC)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000463424419 871705116 /nfs/dbraw/zinc/70/51/16/871705116.db2.gz OZKNNDSNFVFJPT-JXFKEZNVSA-N 1 1 385.464 3.940 20 5 GHBDMO CC[N@@H+](C[C@H](C)OC)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000463424419 871705129 /nfs/dbraw/zinc/70/51/29/871705129.db2.gz OZKNNDSNFVFJPT-JXFKEZNVSA-N 1 1 385.464 3.940 20 5 GHBDMO COc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000618566797 871725242 /nfs/dbraw/zinc/72/52/42/871725242.db2.gz FBPWGTOZIDTMNK-ACDBMABISA-N 1 1 381.476 3.889 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1Br ZINC001169665273 871735692 /nfs/dbraw/zinc/73/56/92/871735692.db2.gz BPSZRACGGKAPPS-UHFFFAOYSA-N 1 1 394.225 3.940 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1Br ZINC001169665273 871735703 /nfs/dbraw/zinc/73/57/03/871735703.db2.gz BPSZRACGGKAPPS-UHFFFAOYSA-N 1 1 394.225 3.940 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001169667749 871737092 /nfs/dbraw/zinc/73/70/92/871737092.db2.gz WJNSTJNVQLMSHL-SFHVURJKSA-N 1 1 391.830 3.667 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001169667749 871737110 /nfs/dbraw/zinc/73/71/10/871737110.db2.gz WJNSTJNVQLMSHL-SFHVURJKSA-N 1 1 391.830 3.667 20 5 GHBDMO C[C@H](CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N(C)Cc1ccccc1 ZINC000447529833 871762143 /nfs/dbraw/zinc/76/21/43/871762143.db2.gz LCBHDMGDPJOSMH-YZGWKJHDSA-N 1 1 385.512 3.775 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598308 871914931 /nfs/dbraw/zinc/91/49/31/871914931.db2.gz UZNHVHXOEZKTSW-GMAHTHKFSA-N 1 1 395.503 3.853 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598308 871914943 /nfs/dbraw/zinc/91/49/43/871914943.db2.gz UZNHVHXOEZKTSW-GMAHTHKFSA-N 1 1 395.503 3.853 20 5 GHBDMO CN(CCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000552051460 871982258 /nfs/dbraw/zinc/98/22/58/871982258.db2.gz ZUKFIYQXSRWVJB-HXUWFJFHSA-N 1 1 379.464 3.534 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000767117175 872273257 /nfs/dbraw/zinc/27/32/57/872273257.db2.gz APSHFCLRLWZBDR-ZIAGYGMSSA-N 1 1 389.402 3.608 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000767117175 872273280 /nfs/dbraw/zinc/27/32/80/872273280.db2.gz APSHFCLRLWZBDR-ZIAGYGMSSA-N 1 1 389.402 3.608 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl ZINC000478038378 872352151 /nfs/dbraw/zinc/35/21/51/872352151.db2.gz UTXRSQOGNCBURG-UHFFFAOYSA-N 1 1 399.838 3.748 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCOC2)O1 ZINC000619434231 872646841 /nfs/dbraw/zinc/64/68/41/872646841.db2.gz KVIRJUQMBLBPLC-DJJJIMSYSA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCOC2)O1 ZINC000619434231 872646844 /nfs/dbraw/zinc/64/68/44/872646844.db2.gz KVIRJUQMBLBPLC-DJJJIMSYSA-N 1 1 392.839 3.888 20 5 GHBDMO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001196021884 872820015 /nfs/dbraw/zinc/82/00/15/872820015.db2.gz HUYRPOOYTBONJV-LJQANCHMSA-N 1 1 388.489 3.822 20 5 GHBDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001196021884 872820020 /nfs/dbraw/zinc/82/00/20/872820020.db2.gz HUYRPOOYTBONJV-LJQANCHMSA-N 1 1 388.489 3.822 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000463946767 872929628 /nfs/dbraw/zinc/92/96/28/872929628.db2.gz DWOAEQOOBXAJBW-UHFFFAOYSA-N 1 1 382.464 3.870 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000541386778 873491285 /nfs/dbraw/zinc/49/12/85/873491285.db2.gz HSOSHBWDPCKTII-WBVHZDCISA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000541386778 873491292 /nfs/dbraw/zinc/49/12/92/873491292.db2.gz HSOSHBWDPCKTII-WBVHZDCISA-N 1 1 383.448 3.728 20 5 GHBDMO Cc1cc(C)cc([C@H]2CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)c1 ZINC000541394753 873506725 /nfs/dbraw/zinc/50/67/25/873506725.db2.gz WBNVFZWFMRJFHZ-KRWDZBQOSA-N 1 1 395.459 3.999 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC001197347714 873725598 /nfs/dbraw/zinc/72/55/98/873725598.db2.gz BTIFZZCLPNPZCP-UHFFFAOYSA-N 1 1 380.448 3.616 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000769191797 873844221 /nfs/dbraw/zinc/84/42/21/873844221.db2.gz LPZGEALUQAUTQB-UHFFFAOYSA-N 1 1 377.238 3.664 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000769191797 873844229 /nfs/dbraw/zinc/84/42/29/873844229.db2.gz LPZGEALUQAUTQB-UHFFFAOYSA-N 1 1 377.238 3.664 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001197668933 873957395 /nfs/dbraw/zinc/95/73/95/873957395.db2.gz RBEWVLQMYJYSJZ-OAHLLOKOSA-N 1 1 384.436 3.514 20 5 GHBDMO C[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541680334 874084785 /nfs/dbraw/zinc/08/47/85/874084785.db2.gz GEZNWUXLFFELFM-INIZCTEOSA-N 1 1 391.487 3.952 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C3CCC2(CO)CC3)cc1OC ZINC001198010015 874160317 /nfs/dbraw/zinc/16/03/17/874160317.db2.gz AGEKZEDJBOSCNX-PCVOSPCESA-N 1 1 378.469 3.518 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C3CCC2(CO)CC3)cc1OC ZINC001198010015 874160323 /nfs/dbraw/zinc/16/03/23/874160323.db2.gz AGEKZEDJBOSCNX-PCVOSPCESA-N 1 1 378.469 3.518 20 5 GHBDMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c([N+](=O)[O-])cc1F ZINC000448946982 874240056 /nfs/dbraw/zinc/24/00/56/874240056.db2.gz STVJLCCWAHOSAG-OAHLLOKOSA-N 1 1 393.459 3.517 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCC[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001198183101 874267631 /nfs/dbraw/zinc/26/76/31/874267631.db2.gz CALYCGWFDNWHNU-OXQOHEQNSA-N 1 1 375.469 3.864 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCC[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001198183101 874267640 /nfs/dbraw/zinc/26/76/40/874267640.db2.gz CALYCGWFDNWHNU-OXQOHEQNSA-N 1 1 375.469 3.864 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000769998459 874392458 /nfs/dbraw/zinc/39/24/58/874392458.db2.gz PFOVEARQLVPBAQ-MRXNPFEDSA-N 1 1 388.855 3.986 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000026260854 874404112 /nfs/dbraw/zinc/40/41/12/874404112.db2.gz JUUICXQXMDIWRH-UHFFFAOYSA-N 1 1 387.411 3.736 20 5 GHBDMO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464785098 874491448 /nfs/dbraw/zinc/49/14/48/874491448.db2.gz LSJZAQARCSYYRO-GQIGUUNPSA-N 1 1 389.496 3.521 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000541988202 874680982 /nfs/dbraw/zinc/68/09/82/874680982.db2.gz XPIUYMNZRIDYAJ-YJBOKZPZSA-N 1 1 391.512 3.697 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccnc(C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449400182 874816555 /nfs/dbraw/zinc/81/65/55/874816555.db2.gz AIABQHHPIOOJTR-UHFFFAOYSA-N 1 1 385.342 3.538 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465191232 875279035 /nfs/dbraw/zinc/27/90/35/875279035.db2.gz LBTNVLOVDBIFHW-OAHLLOKOSA-N 1 1 383.448 3.876 20 5 GHBDMO C[C@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000271881174 875841585 /nfs/dbraw/zinc/84/15/85/875841585.db2.gz ZBVJTEDRKFWHHS-HOTGVXAUSA-N 1 1 398.463 3.871 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000443849861 876030327 /nfs/dbraw/zinc/03/03/27/876030327.db2.gz FHZJYCUDRFHACF-IIBYNOLFSA-N 1 1 392.459 3.650 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000776278295 876163122 /nfs/dbraw/zinc/16/31/22/876163122.db2.gz UHOAGWDVSUMSJK-NTZNESFSSA-N 1 1 386.292 3.691 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000776278295 876163128 /nfs/dbraw/zinc/16/31/28/876163128.db2.gz UHOAGWDVSUMSJK-NTZNESFSSA-N 1 1 386.292 3.691 20 5 GHBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312694774 876203756 /nfs/dbraw/zinc/20/37/56/876203756.db2.gz NBAWPFIFVREKRS-GDBMZVCRSA-N 1 1 387.867 3.889 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450457026 876463518 /nfs/dbraw/zinc/46/35/18/876463518.db2.gz UQNIXWLNCWXFEK-PXNSSMCTSA-N 1 1 377.448 3.667 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000609936535 877204038 /nfs/dbraw/zinc/20/40/38/877204038.db2.gz KAMVDRAVYSKJMU-GOSISDBHSA-N 1 1 376.501 3.779 20 5 GHBDMO CCOc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492655670 877259544 /nfs/dbraw/zinc/25/95/44/877259544.db2.gz PMVHTWZUOMZISB-IBGZPJMESA-N 1 1 397.475 3.778 20 5 GHBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492655670 877259560 /nfs/dbraw/zinc/25/95/60/877259560.db2.gz PMVHTWZUOMZISB-IBGZPJMESA-N 1 1 397.475 3.778 20 5 GHBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000610047027 877326886 /nfs/dbraw/zinc/32/68/86/877326886.db2.gz XXJRIUAZTPYDQS-OAQYLSRUSA-N 1 1 395.503 3.946 20 5 GHBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000610046435 877328278 /nfs/dbraw/zinc/32/82/78/877328278.db2.gz KACLQQRGWQEKHZ-OAQYLSRUSA-N 1 1 381.476 3.698 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000064739294 877411731 /nfs/dbraw/zinc/41/17/31/877411731.db2.gz WIFPRAAVHPGVQW-AWEZNQCLSA-N 1 1 397.903 3.594 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000787813224 877632537 /nfs/dbraw/zinc/63/25/37/877632537.db2.gz UJNOJYWBOOSJTH-XJKSGUPXSA-N 1 1 388.855 3.890 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451311769 877759502 /nfs/dbraw/zinc/75/95/02/877759502.db2.gz TVDZTMJYVSKGRQ-MRXNPFEDSA-N 1 1 384.354 3.836 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451345915 877795178 /nfs/dbraw/zinc/79/51/78/877795178.db2.gz RKHIATJCQJXBBZ-BVPBIZIASA-N 1 1 386.452 3.721 20 5 GHBDMO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000179638788 877810813 /nfs/dbraw/zinc/81/08/13/877810813.db2.gz CDQYBQHJCCOXCL-HNNXBMFYSA-N 1 1 379.363 3.561 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451402956 877924082 /nfs/dbraw/zinc/92/40/82/877924082.db2.gz CLSZMCUNQLAMBW-NWDGAFQWSA-N 1 1 389.374 3.595 20 5 GHBDMO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851832454 877931352 /nfs/dbraw/zinc/93/13/52/877931352.db2.gz CEPQUQFVBVNJPE-HUUCEWRRSA-N 1 1 394.472 3.645 20 5 GHBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851832454 877931363 /nfs/dbraw/zinc/93/13/63/877931363.db2.gz CEPQUQFVBVNJPE-HUUCEWRRSA-N 1 1 394.472 3.645 20 5 GHBDMO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851832449 877931501 /nfs/dbraw/zinc/93/15/01/877931501.db2.gz CEPQUQFVBVNJPE-CABCVRRESA-N 1 1 394.472 3.645 20 5 GHBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851832449 877931518 /nfs/dbraw/zinc/93/15/18/877931518.db2.gz CEPQUQFVBVNJPE-CABCVRRESA-N 1 1 394.472 3.645 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC000852088709 878070174 /nfs/dbraw/zinc/07/01/74/878070174.db2.gz MWYJFTDPYYZKOQ-GASCZTMLSA-N 1 1 393.459 3.813 20 5 GHBDMO O=c1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccc(Cl)cn12 ZINC000451546012 878119795 /nfs/dbraw/zinc/11/97/95/878119795.db2.gz IOWSHCJPBADMLW-OAHLLOKOSA-N 1 1 398.850 3.636 20 5 GHBDMO Cc1noc(C[N@@H+]2CC3(C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] ZINC000852191836 878129762 /nfs/dbraw/zinc/12/97/62/878129762.db2.gz LALKQUDZSBVSRZ-CYBMUJFWSA-N 1 1 394.472 3.503 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000776582039 878198544 /nfs/dbraw/zinc/19/85/44/878198544.db2.gz OTDXDDJPVUETMM-MOPGFXCFSA-N 1 1 394.431 3.905 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000776582039 878198553 /nfs/dbraw/zinc/19/85/53/878198553.db2.gz OTDXDDJPVUETMM-MOPGFXCFSA-N 1 1 394.431 3.905 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)nc1 ZINC000093534429 912322820 /nfs/dbraw/zinc/32/28/20/912322820.db2.gz PNHZJLHPQSKODG-HNNXBMFYSA-N 1 1 381.461 3.800 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)nc1 ZINC000093534429 912322841 /nfs/dbraw/zinc/32/28/41/912322841.db2.gz PNHZJLHPQSKODG-HNNXBMFYSA-N 1 1 381.461 3.800 20 5 GHBDMO CC[C@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591063 878267967 /nfs/dbraw/zinc/26/79/67/878267967.db2.gz AMMBAKTYJLLRQE-IFXJQAMLSA-N 1 1 396.447 3.578 20 5 GHBDMO CC[C@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591063 878267989 /nfs/dbraw/zinc/26/79/89/878267989.db2.gz AMMBAKTYJLLRQE-IFXJQAMLSA-N 1 1 396.447 3.578 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000538083980 878813536 /nfs/dbraw/zinc/81/35/36/878813536.db2.gz LADBEKCMVVQNPS-LPHOPBHVSA-N 1 1 396.491 3.980 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)ccc2c1 ZINC000493324519 879378895 /nfs/dbraw/zinc/37/88/95/879378895.db2.gz WWGLLBVICWGISW-HNNXBMFYSA-N 1 1 382.489 3.951 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000538552268 879701668 /nfs/dbraw/zinc/70/16/68/879701668.db2.gz UKNVQHPQQJMUTD-MGPUTAFESA-N 1 1 382.464 3.526 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790560117 879815750 /nfs/dbraw/zinc/81/57/50/879815750.db2.gz ODIXSLFIBBNOAR-CYBMUJFWSA-N 1 1 393.846 3.567 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccccc2N(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494028331 879837487 /nfs/dbraw/zinc/83/74/87/879837487.db2.gz KYVWROFYJGQZFO-UHFFFAOYSA-N 1 1 395.406 3.603 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000854512916 879870347 /nfs/dbraw/zinc/87/03/47/879870347.db2.gz FMKHTFKBWPCIBL-VQIMIIECSA-N 1 1 390.443 3.833 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@H](C[C@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774638616 912581260 /nfs/dbraw/zinc/58/12/60/912581260.db2.gz HWMAESIUSNVVMI-ZIAGYGMSSA-N 1 1 378.860 3.694 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H](C[C@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774638616 912581265 /nfs/dbraw/zinc/58/12/65/912581265.db2.gz HWMAESIUSNVVMI-ZIAGYGMSSA-N 1 1 378.860 3.694 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791698286 880631233 /nfs/dbraw/zinc/63/12/33/880631233.db2.gz FLCUMJODCUNKBO-HNNXBMFYSA-N 1 1 388.855 3.892 20 5 GHBDMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000792187495 880976119 /nfs/dbraw/zinc/97/61/19/880976119.db2.gz HTOVQPQYOBFTBD-QFIPXVFZSA-N 1 1 394.475 3.855 20 5 GHBDMO CCC[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCc2ccccc2C1 ZINC000919951669 881241289 /nfs/dbraw/zinc/24/12/89/881241289.db2.gz SFOIQJRUHZLWJV-QGZVFWFLSA-N 1 1 381.432 3.730 20 5 GHBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)cc2)CC1 ZINC000858574900 883209273 /nfs/dbraw/zinc/20/92/73/883209273.db2.gz QZMJUSCDRNAPIN-UHFFFAOYSA-N 1 1 388.855 3.642 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2c1 ZINC000795720522 912704551 /nfs/dbraw/zinc/70/45/51/912704551.db2.gz QDIZKGLTCOUCCU-QFIPXVFZSA-N 1 1 391.475 3.500 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301230828 883511042 /nfs/dbraw/zinc/51/10/42/883511042.db2.gz JGSFEHMAIRGTCG-IXDOHACOSA-N 1 1 388.512 3.609 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000609710735 883570157 /nfs/dbraw/zinc/57/01/57/883570157.db2.gz RTIPHPGTFPOIRB-MRXNPFEDSA-N 1 1 398.381 3.528 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCS[C@@H](c4ccccc4)C3)n2)c1 ZINC000609800331 883661366 /nfs/dbraw/zinc/66/13/66/883661366.db2.gz BPIPHMQXTNRKMR-QGZVFWFLSA-N 1 1 382.445 3.935 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCS[C@@H](c4ccccc4)C3)n2)c1 ZINC000609800331 883661370 /nfs/dbraw/zinc/66/13/70/883661370.db2.gz BPIPHMQXTNRKMR-QGZVFWFLSA-N 1 1 382.445 3.935 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000509504229 883789526 /nfs/dbraw/zinc/78/95/26/883789526.db2.gz RJDWYHDNNAFBPN-YLJYHZDGSA-N 1 1 396.491 3.739 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000152564624 884007547 /nfs/dbraw/zinc/00/75/47/884007547.db2.gz XRIZGXAWMGTIAQ-BLIXFSHQSA-N 1 1 397.475 3.818 20 5 GHBDMO C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+]1CCCC[C@@H]1C ZINC000498480796 884547853 /nfs/dbraw/zinc/54/78/53/884547853.db2.gz KZCKYNGSVGKMSR-KBPBESRZSA-N 1 1 388.493 3.711 20 5 GHBDMO CC[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000914735134 884650218 /nfs/dbraw/zinc/65/02/18/884650218.db2.gz MLUCBPAMNANVAV-FNUUXAGOSA-N 1 1 379.460 3.561 20 5 GHBDMO O=C(Cc1cccc2cnccc21)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860781119 884996143 /nfs/dbraw/zinc/99/61/43/884996143.db2.gz UXUQZXRZYAFFGQ-FQEVSTJZSA-N 1 1 391.427 3.503 20 5 GHBDMO O=C(Cc1cccc2cnccc21)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860781119 884996163 /nfs/dbraw/zinc/99/61/63/884996163.db2.gz UXUQZXRZYAFFGQ-FQEVSTJZSA-N 1 1 391.427 3.503 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248906208 885187737 /nfs/dbraw/zinc/18/77/37/885187737.db2.gz UWDXEAGOPRZLDG-QAPCUYQASA-N 1 1 382.464 3.854 20 5 GHBDMO CC(C)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1Cl ZINC000556512626 885208245 /nfs/dbraw/zinc/20/82/45/885208245.db2.gz KTZLBPYOZGSGJM-HOCLYGCPSA-N 1 1 380.876 3.525 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000762250878 885851400 /nfs/dbraw/zinc/85/14/00/885851400.db2.gz MCFMYYRARNNHJJ-IJSCLFKKSA-N 1 1 385.851 3.823 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000762250878 885851410 /nfs/dbraw/zinc/85/14/10/885851410.db2.gz MCFMYYRARNNHJJ-IJSCLFKKSA-N 1 1 385.851 3.823 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3cc(N)ccc3[N+](=O)[O-])CC2)cs1 ZINC000193427940 886088581 /nfs/dbraw/zinc/08/85/81/886088581.db2.gz AVCKLWZYMCRYJO-UHFFFAOYSA-N 1 1 375.498 3.520 20 5 GHBDMO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000301076383 886451023 /nfs/dbraw/zinc/45/10/23/886451023.db2.gz IMLNTVSZKJCVDY-UHFFFAOYSA-N 1 1 392.362 3.858 20 5 GHBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155114936 886640013 /nfs/dbraw/zinc/64/00/13/886640013.db2.gz OQOJEAXGLJSPNP-ZDUSSCGKSA-N 1 1 399.289 3.695 20 5 GHBDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153764881 887797876 /nfs/dbraw/zinc/79/78/76/887797876.db2.gz UNBKIVNQXDRVIN-QFIPXVFZSA-N 1 1 394.475 3.871 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000809950529 888018056 /nfs/dbraw/zinc/01/80/56/888018056.db2.gz KEISNSBZAIXERP-OAHLLOKOSA-N 1 1 388.295 3.588 20 5 GHBDMO CC1([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)OCCO1 ZINC000809975100 888034000 /nfs/dbraw/zinc/03/40/00/888034000.db2.gz WXINMHZQAKKQAE-GFCCVEGCSA-N 1 1 375.252 3.877 20 5 GHBDMO CC1([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)OCCO1 ZINC000809975100 888034013 /nfs/dbraw/zinc/03/40/13/888034013.db2.gz WXINMHZQAKKQAE-GFCCVEGCSA-N 1 1 375.252 3.877 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCO[C@@H](c4ccccc4)C3)n2)cc1 ZINC000609233712 888193863 /nfs/dbraw/zinc/19/38/63/888193863.db2.gz HFPJBULIFPRNPE-GOSISDBHSA-N 1 1 380.404 3.608 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCO[C@@H](c4ccccc4)C3)n2)cc1 ZINC000609233712 888193867 /nfs/dbraw/zinc/19/38/67/888193867.db2.gz HFPJBULIFPRNPE-GOSISDBHSA-N 1 1 380.404 3.608 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810164552 888222616 /nfs/dbraw/zinc/22/26/16/888222616.db2.gz XPOIVOBGFNJLDK-BFUOFWGJSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810164552 888222626 /nfs/dbraw/zinc/22/26/26/888222626.db2.gz XPOIVOBGFNJLDK-BFUOFWGJSA-N 1 1 381.448 3.717 20 5 GHBDMO CCN(CC)C(=O)C1([NH2+]Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCCCC1 ZINC000763337344 888523296 /nfs/dbraw/zinc/52/32/96/888523296.db2.gz CURWUJNKEXKBRT-UHFFFAOYSA-N 1 1 399.495 3.577 20 5 GHBDMO C[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153788741 888577541 /nfs/dbraw/zinc/57/75/41/888577541.db2.gz JPUWDJXWQCSOFG-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153788741 888577550 /nfs/dbraw/zinc/57/75/50/888577550.db2.gz JPUWDJXWQCSOFG-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(Br)c1 ZINC000532931191 889311190 /nfs/dbraw/zinc/31/11/90/889311190.db2.gz VNKIWVHRGFUZMO-LBPRGKRZSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(Br)c1 ZINC000532931191 889311204 /nfs/dbraw/zinc/31/12/04/889311204.db2.gz VNKIWVHRGFUZMO-LBPRGKRZSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454619235 889390323 /nfs/dbraw/zinc/39/03/23/889390323.db2.gz NXPKXQYDTVEIMF-LLGFUMIMSA-N 1 1 396.491 3.866 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532980320 889450021 /nfs/dbraw/zinc/45/00/21/889450021.db2.gz JIXRWEKVODQUCL-INIZCTEOSA-N 1 1 385.851 3.627 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)c2)cc1 ZINC000811784393 889945456 /nfs/dbraw/zinc/94/54/56/889945456.db2.gz VKHXYRBNSZIYNE-NRFANRHFSA-N 1 1 389.459 3.553 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125629993 890059437 /nfs/dbraw/zinc/05/94/37/890059437.db2.gz KABXCXUCWMEERV-OAHLLOKOSA-N 1 1 375.469 3.736 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000533243813 890059499 /nfs/dbraw/zinc/05/94/99/890059499.db2.gz CPENSRQQNZHYRU-INIZCTEOSA-N 1 1 397.475 3.972 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000533281899 890176277 /nfs/dbraw/zinc/17/62/77/890176277.db2.gz XMNLFDSYRBGEIM-INIZCTEOSA-N 1 1 385.464 3.803 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455094603 890323608 /nfs/dbraw/zinc/32/36/08/890323608.db2.gz OOBGODNVNGXWGP-JTDSTZFVSA-N 1 1 382.464 3.618 20 5 GHBDMO O=[N+]([O-])c1ccc(NC(=S)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000795139075 890458079 /nfs/dbraw/zinc/45/80/79/890458079.db2.gz LKOSIEFDMMJBMQ-OAQYLSRUSA-N 1 1 396.516 3.890 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000455179716 890478548 /nfs/dbraw/zinc/47/85/48/890478548.db2.gz HXNJSYOXUTYJSF-INIZCTEOSA-N 1 1 382.464 3.889 20 5 GHBDMO Cc1ccc(C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)cc1C ZINC000533430283 890544432 /nfs/dbraw/zinc/54/44/32/890544432.db2.gz WUIOXTWTANIGPN-UHFFFAOYSA-N 1 1 397.431 3.543 20 5 GHBDMO Cc1ccc(C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)cc1C ZINC000533430283 890544440 /nfs/dbraw/zinc/54/44/40/890544440.db2.gz WUIOXTWTANIGPN-UHFFFAOYSA-N 1 1 397.431 3.543 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000533482796 890691732 /nfs/dbraw/zinc/69/17/32/890691732.db2.gz LRMOMWNJLMPWGB-INIZCTEOSA-N 1 1 382.464 3.523 20 5 GHBDMO Cc1ccc(C[C@@H]2CCC[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000747798091 890792983 /nfs/dbraw/zinc/79/29/83/890792983.db2.gz MDFMCSCSUYATKA-KRWDZBQOSA-N 1 1 381.432 3.723 20 5 GHBDMO Cc1ccc(C[C@@H]2CCC[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000747798091 890792998 /nfs/dbraw/zinc/79/29/98/890792998.db2.gz MDFMCSCSUYATKA-KRWDZBQOSA-N 1 1 381.432 3.723 20 5 GHBDMO CCc1cc(NC[C@H](C)[N@H+]2CCCC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001184855672 913492436 /nfs/dbraw/zinc/49/24/36/913492436.db2.gz FJZXGFFIYBROTA-CVEARBPZSA-N 1 1 383.496 3.711 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812854209 891047774 /nfs/dbraw/zinc/04/77/74/891047774.db2.gz PUSTXQYDDJJVRD-IIBYNOLFSA-N 1 1 385.464 3.676 20 5 GHBDMO COc1ccccc1[C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000127706373 891216434 /nfs/dbraw/zinc/21/64/34/891216434.db2.gz JCWXUZVJQYFNOQ-QGZVFWFLSA-N 1 1 386.452 3.645 20 5 GHBDMO CC[C@@H](C)n1ncc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1C ZINC000813170984 891328879 /nfs/dbraw/zinc/32/88/79/891328879.db2.gz POWQVQDLDYKLCJ-KDOFPFPSSA-N 1 1 386.452 3.502 20 5 GHBDMO CC[C@@H](C)n1ncc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1C ZINC000813170984 891328895 /nfs/dbraw/zinc/32/88/95/891328895.db2.gz POWQVQDLDYKLCJ-KDOFPFPSSA-N 1 1 386.452 3.502 20 5 GHBDMO Cc1noc(C)c1[C@@H](C)CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171255 891332864 /nfs/dbraw/zinc/33/28/64/891332864.db2.gz HPXVHJQCYXURLS-UGSOOPFHSA-N 1 1 387.436 3.511 20 5 GHBDMO Cc1noc(C)c1[C@@H](C)CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171255 891332880 /nfs/dbraw/zinc/33/28/80/891332880.db2.gz HPXVHJQCYXURLS-UGSOOPFHSA-N 1 1 387.436 3.511 20 5 GHBDMO CCC(CC)n1nccc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171629 891333268 /nfs/dbraw/zinc/33/32/68/891333268.db2.gz NVYNLZCQGPYANZ-SFHVURJKSA-N 1 1 386.452 3.584 20 5 GHBDMO CCC(CC)n1nccc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171629 891333271 /nfs/dbraw/zinc/33/32/71/891333271.db2.gz NVYNLZCQGPYANZ-SFHVURJKSA-N 1 1 386.452 3.584 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1coc2cc(F)ccc12 ZINC000813172280 891334015 /nfs/dbraw/zinc/33/40/15/891334015.db2.gz DDKWLTNYCZOZKH-INIZCTEOSA-N 1 1 384.363 3.911 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1coc2cc(F)ccc12 ZINC000813172280 891334032 /nfs/dbraw/zinc/33/40/32/891334032.db2.gz DDKWLTNYCZOZKH-INIZCTEOSA-N 1 1 384.363 3.911 20 5 GHBDMO Cn1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c2ccccc21 ZINC000813174484 891336711 /nfs/dbraw/zinc/33/67/11/891336711.db2.gz UUGUUAYSRFALKY-KRWDZBQOSA-N 1 1 379.416 3.518 20 5 GHBDMO Cn1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c2ccccc21 ZINC000813174484 891336725 /nfs/dbraw/zinc/33/67/25/891336725.db2.gz UUGUUAYSRFALKY-KRWDZBQOSA-N 1 1 379.416 3.518 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825644091 891416871 /nfs/dbraw/zinc/41/68/71/891416871.db2.gz SUMIFMKRPSHJEB-CYBMUJFWSA-N 1 1 393.896 3.952 20 5 GHBDMO C[C@H](c1ccncc1)[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000067715643 891733424 /nfs/dbraw/zinc/73/34/24/891733424.db2.gz OGJWWKIAAOPAGB-CYBMUJFWSA-N 1 1 380.370 3.892 20 5 GHBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC001133923356 891983272 /nfs/dbraw/zinc/98/32/72/891983272.db2.gz IWMWANHDSYZOAI-CQSZACIVSA-N 1 1 391.880 3.833 20 5 GHBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC001133923356 891983280 /nfs/dbraw/zinc/98/32/80/891983280.db2.gz IWMWANHDSYZOAI-CQSZACIVSA-N 1 1 391.880 3.833 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@@H]3CCc3ccccc3)n2)cc1 ZINC000917479360 892043659 /nfs/dbraw/zinc/04/36/59/892043659.db2.gz ZWXNVHHYJMPSTE-LJQANCHMSA-N 1 1 377.448 3.908 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000154420154 892109498 /nfs/dbraw/zinc/10/94/98/892109498.db2.gz LNDVKEYUFNOYAG-ZNLUXHQJSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000154420154 892109503 /nfs/dbraw/zinc/10/95/03/892109503.db2.gz LNDVKEYUFNOYAG-ZNLUXHQJSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000154420154 892109516 /nfs/dbraw/zinc/10/95/16/892109516.db2.gz LNDVKEYUFNOYAG-ZNLUXHQJSA-N 1 1 383.492 3.613 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000814175944 892332504 /nfs/dbraw/zinc/33/25/04/892332504.db2.gz KTNKAUIIYCVUEY-BHEAHUASSA-N 1 1 387.480 3.939 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001137098568 892888132 /nfs/dbraw/zinc/88/81/32/892888132.db2.gz GBQUGSPZHBWBCQ-KRWDZBQOSA-N 1 1 385.489 3.663 20 5 GHBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(N2CCCOC2=O)cc1 ZINC000814658303 893016334 /nfs/dbraw/zinc/01/63/34/893016334.db2.gz ZJDHOXAFXZYIRF-CYBMUJFWSA-N 1 1 395.419 3.669 20 5 GHBDMO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000498019871 893018352 /nfs/dbraw/zinc/01/83/52/893018352.db2.gz UIPSHDMKBORVLS-XLIONFOSSA-N 1 1 397.475 3.658 20 5 GHBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815069419 893413755 /nfs/dbraw/zinc/41/37/55/893413755.db2.gz APFLLRPSGWQOMU-LLVKDONJSA-N 1 1 391.390 3.959 20 5 GHBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815069419 893413767 /nfs/dbraw/zinc/41/37/67/893413767.db2.gz APFLLRPSGWQOMU-LLVKDONJSA-N 1 1 391.390 3.959 20 5 GHBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000536660698 893468584 /nfs/dbraw/zinc/46/85/84/893468584.db2.gz DTFWEDJRBBFNPO-KRWDZBQOSA-N 1 1 395.253 3.964 20 5 GHBDMO COc1ccc2c(c1)CCC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000536682877 893552432 /nfs/dbraw/zinc/55/24/32/893552432.db2.gz PFSVPOGSNHJBBG-UHFFFAOYSA-N 1 1 392.459 3.952 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000498268908 893810269 /nfs/dbraw/zinc/81/02/69/893810269.db2.gz QGEIVGLRTIXGIB-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000498268908 893810289 /nfs/dbraw/zinc/81/02/89/893810289.db2.gz QGEIVGLRTIXGIB-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1ccc(C[NH2+]Cc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000069833357 893925638 /nfs/dbraw/zinc/92/56/38/893925638.db2.gz ALYLGPWCBNRUCV-ROUUACIJSA-N 1 1 383.492 3.802 20 5 GHBDMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459630368 893930908 /nfs/dbraw/zinc/93/09/08/893930908.db2.gz GGAYKMMCQZVHET-UWVGGRQHSA-N 1 1 394.884 3.871 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878122075 894035854 /nfs/dbraw/zinc/03/58/54/894035854.db2.gz WFZBHRDGVMKZTN-AWEZNQCLSA-N 1 1 380.404 3.643 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CO)CC2)cc1OC ZINC000563901500 894308600 /nfs/dbraw/zinc/30/86/00/894308600.db2.gz FQCKCZQZXZLJAZ-JKSUJKDBSA-N 1 1 380.485 3.623 20 5 GHBDMO CC(C)(C)Oc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000816092564 894471689 /nfs/dbraw/zinc/47/16/89/894471689.db2.gz IUMCOXLWMHDLNT-SFHVURJKSA-N 1 1 399.447 3.598 20 5 GHBDMO CC(C)(C)Oc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000816092564 894471694 /nfs/dbraw/zinc/47/16/94/894471694.db2.gz IUMCOXLWMHDLNT-SFHVURJKSA-N 1 1 399.447 3.598 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1 ZINC000537321757 894773000 /nfs/dbraw/zinc/77/30/00/894773000.db2.gz RNTJDQCREPMJNU-UHFFFAOYSA-N 1 1 397.475 3.948 20 5 GHBDMO COc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000816456639 894822484 /nfs/dbraw/zinc/82/24/84/894822484.db2.gz LMKXVDYHFLGDLT-BEFAXECRSA-N 1 1 384.432 3.671 20 5 GHBDMO Cc1c(Br)c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001185555656 913951106 /nfs/dbraw/zinc/95/11/06/913951106.db2.gz UYNZFTUBUIFZPJ-ZDUSSCGKSA-N 1 1 383.290 3.737 20 5 GHBDMO COc1cc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001185565900 913958910 /nfs/dbraw/zinc/95/89/10/913958910.db2.gz WCQXOXWOFLRMBE-OAHLLOKOSA-N 1 1 375.856 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc(CCn2cc(C[NH2+][C@H]3CCCc4ccccc43)nn2)cc1 ZINC000881191928 896231561 /nfs/dbraw/zinc/23/15/61/896231561.db2.gz GIICQBXOFWIACO-NRFANRHFSA-N 1 1 377.448 3.596 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881277232 896277193 /nfs/dbraw/zinc/27/71/93/896277193.db2.gz DMLJPXWVACTSKW-YWZLYKJASA-N 1 1 377.448 3.963 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000566422599 896303221 /nfs/dbraw/zinc/30/32/21/896303221.db2.gz AZIWREYLYGBALO-HNNXBMFYSA-N 1 1 385.468 3.656 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001136225011 896700266 /nfs/dbraw/zinc/70/02/66/896700266.db2.gz PJFOFANEILMBJE-INIZCTEOSA-N 1 1 383.448 3.849 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3N)cc2)C1 ZINC001136252844 896878869 /nfs/dbraw/zinc/87/88/69/896878869.db2.gz QXIPZNZAACDYPJ-IYBDPMFKSA-N 1 1 396.491 3.585 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130879880 897239232 /nfs/dbraw/zinc/23/92/32/897239232.db2.gz VIGREWKERJJDCZ-UHFFFAOYSA-N 1 1 398.419 3.805 20 5 GHBDMO CC1(c2cccc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)c2)OCCO1 ZINC000883127957 897304946 /nfs/dbraw/zinc/30/49/46/897304946.db2.gz OHXXTJAZUPCHQX-UHFFFAOYSA-N 1 1 394.374 3.706 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000821390765 897859679 /nfs/dbraw/zinc/85/96/79/897859679.db2.gz DTYGUOZYVZSGPD-CQSZACIVSA-N 1 1 381.904 3.965 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000466826052 914232636 /nfs/dbraw/zinc/23/26/36/914232636.db2.gz ZRAKCJJAIKSAGM-QFBILLFUSA-N 1 1 396.491 3.932 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)s1 ZINC000570031093 899083516 /nfs/dbraw/zinc/08/35/16/899083516.db2.gz BHTJPNDKWMCCDB-UHFFFAOYSA-N 1 1 389.868 3.575 20 5 GHBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001136754728 899149524 /nfs/dbraw/zinc/14/95/24/899149524.db2.gz BWGOCIPPXITTQC-QGZVFWFLSA-N 1 1 383.448 3.991 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000331793141 899167869 /nfs/dbraw/zinc/16/78/69/899167869.db2.gz KPUYAQXGVLJZAZ-HOTGVXAUSA-N 1 1 390.484 3.722 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000331929365 899271713 /nfs/dbraw/zinc/27/17/13/899271713.db2.gz DEQHHKJMZJKPFW-QAPCUYQASA-N 1 1 391.537 3.899 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000118859947 899486521 /nfs/dbraw/zinc/48/65/21/899486521.db2.gz WWSYESNFPZBCOJ-INIZCTEOSA-N 1 1 387.484 3.934 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000570811593 899609765 /nfs/dbraw/zinc/60/97/65/899609765.db2.gz JVSIXXFQQHHICF-UHFFFAOYSA-N 1 1 399.516 3.676 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1cccc([N+](=O)[O-])c1 ZINC000570914522 899675027 /nfs/dbraw/zinc/67/50/27/899675027.db2.gz XRQWGJIBMQWLOJ-FQEVSTJZSA-N 1 1 393.422 3.870 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1Br ZINC000824697068 899746935 /nfs/dbraw/zinc/74/69/35/899746935.db2.gz YJAWUYNJZYGFMK-YSVLISHTSA-N 1 1 383.286 3.873 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1Br ZINC000824697066 899747377 /nfs/dbraw/zinc/74/73/77/899747377.db2.gz YJAWUYNJZYGFMK-UNEWFSDZSA-N 1 1 383.286 3.873 20 5 GHBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000303190287 914391678 /nfs/dbraw/zinc/39/16/78/914391678.db2.gz FKGIKXROHCDCTK-IRXDYDNUSA-N 1 1 391.512 3.899 20 5 GHBDMO Cc1ccc([C@@H](CNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)[NH+]2CCCC2)o1 ZINC000825277638 900087503 /nfs/dbraw/zinc/08/75/03/900087503.db2.gz CXDJEAGZKBRNRS-CQSZACIVSA-N 1 1 393.390 3.650 20 5 GHBDMO O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136987025 900773958 /nfs/dbraw/zinc/77/39/58/900773958.db2.gz DTPGUPYJHWSCDH-IBGZPJMESA-N 1 1 388.851 3.877 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)Cc1ccccc1O ZINC001144261476 901476410 /nfs/dbraw/zinc/47/64/10/901476410.db2.gz KMUILTWYUZTHSN-UHFFFAOYSA-N 1 1 387.439 3.843 20 5 GHBDMO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc([N+](=O)[O-])c4c3CCN(C)C4)c2c1 ZINC001171169121 901935671 /nfs/dbraw/zinc/93/56/71/901935671.db2.gz YUPKPKIZHWVKMY-OAHLLOKOSA-N 1 1 378.476 3.725 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263779678 902517082 /nfs/dbraw/zinc/51/70/82/902517082.db2.gz YJUVQOYOHHYHQB-KUHUBIRLSA-N 1 1 394.431 3.952 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263779678 902517093 /nfs/dbraw/zinc/51/70/93/902517093.db2.gz YJUVQOYOHHYHQB-KUHUBIRLSA-N 1 1 394.431 3.952 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000577211244 902593506 /nfs/dbraw/zinc/59/35/06/902593506.db2.gz SPLNVOBUUMMBTF-PPSBMQLTSA-N 1 1 386.496 3.991 20 5 GHBDMO Cc1cccnc1C(C)(C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000577308674 902667532 /nfs/dbraw/zinc/66/75/32/902667532.db2.gz JKQGKILJSOSTTJ-GOSISDBHSA-N 1 1 379.464 3.689 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000577393904 902734854 /nfs/dbraw/zinc/73/48/54/902734854.db2.gz DOYHAWNTGBSDFM-LAUBAEHRSA-N 1 1 397.475 3.677 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000577393904 902734864 /nfs/dbraw/zinc/73/48/64/902734864.db2.gz DOYHAWNTGBSDFM-LAUBAEHRSA-N 1 1 397.475 3.677 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1)[NH+]1CCOCC1 ZINC000264765197 903366869 /nfs/dbraw/zinc/36/68/69/903366869.db2.gz NFQLZVBQVSMWLY-AWEZNQCLSA-N 1 1 394.431 3.722 20 5 GHBDMO COc1ccc2c(c1)OC(C)(C)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC001171267547 903454105 /nfs/dbraw/zinc/45/41/05/903454105.db2.gz RDLPXEDXDSJRGT-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCCC1 ZINC000578341694 903747029 /nfs/dbraw/zinc/74/70/29/903747029.db2.gz XYARPWQFPSSVNM-UHFFFAOYSA-N 1 1 387.402 3.998 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000578469580 903874304 /nfs/dbraw/zinc/87/43/04/903874304.db2.gz QAWZPEMNBBJYRF-QITLCBANSA-N 1 1 390.465 3.757 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000578469580 903874308 /nfs/dbraw/zinc/87/43/08/903874308.db2.gz QAWZPEMNBBJYRF-QITLCBANSA-N 1 1 390.465 3.757 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000773256423 904619279 /nfs/dbraw/zinc/61/92/79/904619279.db2.gz KMIJHYXAADPMPT-KGLIPLIRSA-N 1 1 377.466 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000773256423 904619288 /nfs/dbraw/zinc/61/92/88/904619288.db2.gz KMIJHYXAADPMPT-KGLIPLIRSA-N 1 1 377.466 3.968 20 5 GHBDMO Cc1c(C[N@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001171544810 904773549 /nfs/dbraw/zinc/77/35/49/904773549.db2.gz BLVXIPSGTSQHLK-SFHVURJKSA-N 1 1 399.466 3.961 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)c3ncnc4cccc([N+](=O)[O-])c43)C2)s1 ZINC001186896555 914859014 /nfs/dbraw/zinc/85/90/14/914859014.db2.gz RAOCJOGLJCHLDL-OAHLLOKOSA-N 1 1 397.504 3.866 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000801574831 921145064 /nfs/dbraw/zinc/14/50/64/921145064.db2.gz YREQIZJUYQBRLY-GOSISDBHSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000801574831 921145070 /nfs/dbraw/zinc/14/50/70/921145070.db2.gz YREQIZJUYQBRLY-GOSISDBHSA-N 1 1 383.876 3.985 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1Br ZINC000801599743 921178222 /nfs/dbraw/zinc/17/82/22/921178222.db2.gz BGQVWHASHDLTQN-KRWDZBQOSA-N 1 1 379.254 3.565 20 5 GHBDMO Cc1cccnc1N1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172917845 905989250 /nfs/dbraw/zinc/98/92/50/905989250.db2.gz XLTPZYZSHRFYKX-FQEVSTJZSA-N 1 1 380.492 3.758 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H](N3CCCCC3)[C@@H](F)C1)CC2 ZINC001172911922 906019831 /nfs/dbraw/zinc/01/98/31/906019831.db2.gz GVRYVTLSORUOPP-SESVDKBCSA-N 1 1 375.488 3.741 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@@H](N3CCCCC3)[C@@H](F)C1)CC2 ZINC001172911922 906019849 /nfs/dbraw/zinc/01/98/49/906019849.db2.gz GVRYVTLSORUOPP-SESVDKBCSA-N 1 1 375.488 3.741 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2CC[NH+](CC3CCCC3)CC2)c1F ZINC001173181706 906261772 /nfs/dbraw/zinc/26/17/72/906261772.db2.gz PTBGKWYXCCBSNC-OAHLLOKOSA-N 1 1 393.503 3.918 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H]2COCc2ccccc2)c1F ZINC001173187607 906267661 /nfs/dbraw/zinc/26/76/61/906267661.db2.gz ATQDZAMAVTYFTJ-DOTOQJQBSA-N 1 1 388.439 3.965 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H]2COCc2ccccc2)c1F ZINC001173187607 906267678 /nfs/dbraw/zinc/26/76/78/906267678.db2.gz ATQDZAMAVTYFTJ-DOTOQJQBSA-N 1 1 388.439 3.965 20 5 GHBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194700 906279080 /nfs/dbraw/zinc/27/90/80/906279080.db2.gz YIXOQXHCZYWMFR-CYBMUJFWSA-N 1 1 390.411 3.924 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(CC3CC3)c21 ZINC001173223339 906303507 /nfs/dbraw/zinc/30/35/07/906303507.db2.gz ZIGCORGPMJOKLQ-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(CC3CC3)c21 ZINC001173223339 906303517 /nfs/dbraw/zinc/30/35/17/906303517.db2.gz ZIGCORGPMJOKLQ-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001173228764 906313286 /nfs/dbraw/zinc/31/32/86/906313286.db2.gz SHLHSYQBNUDGHF-AOMKIAJQSA-N 1 1 397.450 3.794 20 5 GHBDMO CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173234174 906320304 /nfs/dbraw/zinc/32/03/04/906320304.db2.gz PGPNIPUXERLQCW-CRAIPNDOSA-N 1 1 377.485 3.857 20 5 GHBDMO COc1cc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc([N+](=O)[O-])c1C ZINC000191301150 906858811 /nfs/dbraw/zinc/85/88/11/906858811.db2.gz VANWVGUQAVESAM-HNNXBMFYSA-N 1 1 399.447 3.557 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001176217522 907991146 /nfs/dbraw/zinc/99/11/46/907991146.db2.gz HJDZGFXZYZTGLA-OAHLLOKOSA-N 1 1 388.493 3.643 20 5 GHBDMO CC(C)(NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000194453275 908883203 /nfs/dbraw/zinc/88/32/03/908883203.db2.gz KBXWRVFFSVDILH-SFHVURJKSA-N 1 1 396.491 3.651 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000194061561 908912762 /nfs/dbraw/zinc/91/27/62/908912762.db2.gz ISOHKOLTUPELIF-CJNGLKHVSA-N 1 1 377.422 3.653 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266341685 909087962 /nfs/dbraw/zinc/08/79/62/909087962.db2.gz AKPMGBRNXZPIPD-QGZVFWFLSA-N 1 1 392.459 3.670 20 5 GHBDMO CC[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C(C)(C)C1 ZINC001178861398 909290009 /nfs/dbraw/zinc/29/00/09/909290009.db2.gz XCZKMVODCURLGL-FQEVSTJZSA-N 1 1 396.491 3.667 20 5 GHBDMO C[C@](CO)([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001179353729 909481311 /nfs/dbraw/zinc/48/13/11/909481311.db2.gz VROMPVQSOSGFFG-QGZVFWFLSA-N 1 1 386.782 3.847 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 ZINC000801821280 921524389 /nfs/dbraw/zinc/52/43/89/921524389.db2.gz RZTJJKHXDFJFSR-CYBMUJFWSA-N 1 1 386.427 3.943 20 5 GHBDMO Cc1c([C@@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)cccc1[N+](=O)[O-] ZINC000268759174 910001902 /nfs/dbraw/zinc/00/19/02/910001902.db2.gz ZCELOAZOGOAZRB-LLVKDONJSA-N 1 1 379.342 3.816 20 5 GHBDMO CC(C)(C)OC(=O)Nc1cnc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC001180666430 910293080 /nfs/dbraw/zinc/29/30/80/910293080.db2.gz ZTBGSPUAMMVROO-UHFFFAOYSA-N 1 1 387.440 3.757 20 5 GHBDMO C[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@@H]1CCC(C)(C)C1 ZINC000795454243 910391585 /nfs/dbraw/zinc/39/15/85/910391585.db2.gz CJMZLLWSCSRBSX-GFCCVEGCSA-N 1 1 396.285 3.781 20 5 GHBDMO [NH2+]=c1ccc2nc3c(cc(NC(=O)c4ccc(O)nn4)c4ccccc43)oc-2c1 ZINC001181738041 910978126 /nfs/dbraw/zinc/97/81/26/910978126.db2.gz WYHHLDSCULLCDD-UHFFFAOYSA-N 1 1 383.367 3.770 20 5 GHBDMO COc1cc(C[NH2+]Cc2cc(C)nn2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000283808189 911654488 /nfs/dbraw/zinc/65/44/88/911654488.db2.gz CNQLEHPUVGQWLI-UHFFFAOYSA-N 1 1 396.447 3.514 20 5 GHBDMO Cc1ccc2c(=O)c3cccc(CC(=O)N[C@@]4(C)CCC[N@H+](C)C4)c3oc2c1C ZINC001182513350 911825279 /nfs/dbraw/zinc/82/52/79/911825279.db2.gz FDAGGMPPLXDWIO-DEOSSOPVSA-N 1 1 392.499 3.706 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000774516260 911843736 /nfs/dbraw/zinc/84/37/36/911843736.db2.gz HZZOJNWNHAJVKQ-MAUKXSAKSA-N 1 1 394.475 3.734 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC001187403932 915224675 /nfs/dbraw/zinc/22/46/75/915224675.db2.gz FGKOLDAUFGJATR-LJQANCHMSA-N 1 1 397.475 3.872 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001190871824 917620040 /nfs/dbraw/zinc/62/00/40/917620040.db2.gz BKQPQNYPZMUCSI-UHFFFAOYSA-N 1 1 375.469 3.978 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001190871824 917620045 /nfs/dbraw/zinc/62/00/45/917620045.db2.gz BKQPQNYPZMUCSI-UHFFFAOYSA-N 1 1 375.469 3.978 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000115980806 919487321 /nfs/dbraw/zinc/48/73/21/919487321.db2.gz FQBUPXYHCOMQLN-UHFFFAOYSA-N 1 1 391.431 3.593 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000117334202 919537291 /nfs/dbraw/zinc/53/72/91/919537291.db2.gz UIMBPLLZPVEYDA-UHFFFAOYSA-N 1 1 397.387 3.781 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1)C1CC1 ZINC000119772189 919652721 /nfs/dbraw/zinc/65/27/21/919652721.db2.gz LBRSBBDILCWJND-UHFFFAOYSA-N 1 1 379.460 3.778 20 5 GHBDMO CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000800466442 920133264 /nfs/dbraw/zinc/13/32/64/920133264.db2.gz ATZSISWTXOFUMX-OXJNMPFZSA-N 1 1 385.464 3.758 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000801044674 920729126 /nfs/dbraw/zinc/72/91/26/920729126.db2.gz BWOWWVFDQMFTJH-IBGZPJMESA-N 1 1 385.439 3.764 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)ccc1Br ZINC000801526435 921097108 /nfs/dbraw/zinc/09/71/08/921097108.db2.gz PECMEELGSUXSFV-UKRRQHHQSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)ccc1Br ZINC000801526435 921097115 /nfs/dbraw/zinc/09/71/15/921097115.db2.gz PECMEELGSUXSFV-UKRRQHHQSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1F ZINC000801535536 921106047 /nfs/dbraw/zinc/10/60/47/921106047.db2.gz JWELASAQILDFBO-MRXNPFEDSA-N 1 1 381.411 3.899 20 5 GHBDMO Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c(N)c([N+](=O)[O-])c1 ZINC000802447945 922112645 /nfs/dbraw/zinc/11/26/45/922112645.db2.gz SFFWXDNDRBCOJA-UHFFFAOYSA-N 1 1 389.481 3.570 20 5 GHBDMO Cc1ccnc(C2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)n1 ZINC000368325600 922599773 /nfs/dbraw/zinc/59/97/73/922599773.db2.gz BENVHSIBAGECTG-UHFFFAOYSA-N 1 1 379.420 3.728 20 5 GHBDMO CCOc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1OC(F)F ZINC000369685008 923542347 /nfs/dbraw/zinc/54/23/47/923542347.db2.gz ZBGCOVLJSJXCKS-UHFFFAOYSA-N 1 1 396.394 3.629 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)o2)cc1 ZINC000371549518 924658108 /nfs/dbraw/zinc/65/81/08/924658108.db2.gz AFUZNXQKWJCVGM-VQIMIIECSA-N 1 1 380.404 3.512 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000827178223 924967730 /nfs/dbraw/zinc/96/77/30/924967730.db2.gz GKLKOCCJJIGECD-ZBFHGGJFSA-N 1 1 394.374 3.515 20 5 GHBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000410049093 925285970 /nfs/dbraw/zinc/28/59/70/925285970.db2.gz MSWVOUPHTDTAAL-OAQYLSRUSA-N 1 1 395.503 3.727 20 5 GHBDMO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373244357 925962640 /nfs/dbraw/zinc/96/26/40/925962640.db2.gz QLCGODAVZWIFHX-HZPDHXFCSA-N 1 1 399.495 3.969 20 5 GHBDMO COc1ccc([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000411131736 926111019 /nfs/dbraw/zinc/11/10/19/926111019.db2.gz XZWFGGFRUHHTAF-CQSZACIVSA-N 1 1 387.436 3.634 20 5 GHBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000726603182 926756832 /nfs/dbraw/zinc/75/68/32/926756832.db2.gz NQIZOBISAIONQT-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC000374253606 926938572 /nfs/dbraw/zinc/93/85/72/926938572.db2.gz AFXYEHXQYDOECB-UZLBHIALSA-N 1 1 396.447 3.676 20 5 GHBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749800810 927281834 /nfs/dbraw/zinc/28/18/34/927281834.db2.gz PFXKDLNRROCAKL-UHFFFAOYSA-N 1 1 393.484 3.741 20 5 GHBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749951528 927367259 /nfs/dbraw/zinc/36/72/59/927367259.db2.gz YOUKHSPUWMNNQS-PXNSSMCTSA-N 1 1 395.463 3.705 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749958508 927369727 /nfs/dbraw/zinc/36/97/27/927369727.db2.gz DQKHJVWBCBLEBT-OAHLLOKOSA-N 1 1 383.477 3.720 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000750074378 927420146 /nfs/dbraw/zinc/42/01/46/927420146.db2.gz XQBHHKDHGDKPEU-GOTSBHOMSA-N 1 1 395.503 3.616 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752072231 928584903 /nfs/dbraw/zinc/58/49/03/928584903.db2.gz ZPGKOWOJRQPFQO-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752072231 928584907 /nfs/dbraw/zinc/58/49/07/928584907.db2.gz ZPGKOWOJRQPFQO-OLZOCXBDSA-N 1 1 383.876 3.983 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000467239536 928865580 /nfs/dbraw/zinc/86/55/80/928865580.db2.gz XARHFJLLZMZOPA-NRFANRHFSA-N 1 1 383.448 3.639 20 5 GHBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752793581 929024687 /nfs/dbraw/zinc/02/46/87/929024687.db2.gz OZABFDQGFDZWPH-FUHWJXTLSA-N 1 1 380.448 3.672 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000467691383 929307001 /nfs/dbraw/zinc/30/70/01/929307001.db2.gz NQSOTDKBJJJMQE-FXAWDEMLSA-N 1 1 396.491 3.566 20 5 GHBDMO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1Cc1ccccc1 ZINC000544760079 929546573 /nfs/dbraw/zinc/54/65/73/929546573.db2.gz LPEIPVGQKOBUOA-HXUWFJFHSA-N 1 1 397.475 3.558 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000546398695 930125479 /nfs/dbraw/zinc/12/54/79/930125479.db2.gz ROQXIMZZFAOWPQ-MRXNPFEDSA-N 1 1 379.420 3.728 20 5 GHBDMO COC(=O)/C=C\c1ccc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000781395428 930829393 /nfs/dbraw/zinc/82/93/93/930829393.db2.gz YXVOTLQRGODBHM-CCBIKTPWSA-N 1 1 387.480 3.846 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)sc2c1 ZINC000781672916 930934531 /nfs/dbraw/zinc/93/45/31/930934531.db2.gz SDQVNUHSRKIJHJ-QGZVFWFLSA-N 1 1 398.488 3.773 20 5 GHBDMO O=C(CC[N@@H+](CCc1ccc(F)cc1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782500690 931244407 /nfs/dbraw/zinc/24/44/07/931244407.db2.gz ZVAFZUXFDQEGKJ-UHFFFAOYSA-N 1 1 389.402 3.909 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782505017 931244832 /nfs/dbraw/zinc/24/48/32/931244832.db2.gz VSDCSGHJIVWGPB-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000557458975 931443335 /nfs/dbraw/zinc/44/33/35/931443335.db2.gz GSLPGEWAFSEFSG-OXQOHEQNSA-N 1 1 393.443 3.939 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000783598092 931592116 /nfs/dbraw/zinc/59/21/16/931592116.db2.gz QSORUXVVKOXSGD-AWEZNQCLSA-N 1 1 376.254 3.817 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000558060436 931820681 /nfs/dbraw/zinc/82/06/81/931820681.db2.gz NMYXBLJOROJNIO-FQEVSTJZSA-N 1 1 395.459 3.502 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000784531218 931926958 /nfs/dbraw/zinc/92/69/58/931926958.db2.gz ZZOHOUXSAQGWAD-RRQGHBQHSA-N 1 1 393.459 3.859 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000797084944 932175961 /nfs/dbraw/zinc/17/59/61/932175961.db2.gz WCLMLYSZBHOORN-NYSBEXSLSA-N 1 1 379.460 3.841 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000797518377 932317521 /nfs/dbraw/zinc/31/75/21/932317521.db2.gz DPJOPVUJXZSZNL-GJZGRUSLSA-N 1 1 393.484 3.729 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000927112469 932416878 /nfs/dbraw/zinc/41/68/78/932416878.db2.gz NYXRFGZLAPYUKC-NHCUHLMSSA-N 1 1 392.459 3.711 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000798193679 932559133 /nfs/dbraw/zinc/55/91/33/932559133.db2.gz MDNLXZLCKFILEB-QGPMSJSTSA-N 1 1 395.887 3.592 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](c3ccccn3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000798965407 932843417 /nfs/dbraw/zinc/84/34/17/932843417.db2.gz RRZAYODAMYEZAF-ZDUSSCGKSA-N 1 1 393.390 3.632 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000799156079 932890812 /nfs/dbraw/zinc/89/08/12/932890812.db2.gz LIBMGLAYTFLPOV-IDCXYZFESA-N 1 1 384.480 3.677 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)c([N+](=O)[O-])c1 ZINC001116340473 933493718 /nfs/dbraw/zinc/49/37/18/933493718.db2.gz SFBKYPJJJHBARS-HTAPYJJXSA-N 1 1 395.459 3.943 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)c([N+](=O)[O-])c1 ZINC001116340473 933493723 /nfs/dbraw/zinc/49/37/23/933493723.db2.gz SFBKYPJJJHBARS-HTAPYJJXSA-N 1 1 395.459 3.943 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001116505026 933598459 /nfs/dbraw/zinc/59/84/59/933598459.db2.gz AOLDYROMTMKDSN-OLZOCXBDSA-N 1 1 390.452 3.963 20 5 GHBDMO C[NH+](C)Cc1cc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)no1 ZINC001116528448 933612516 /nfs/dbraw/zinc/61/25/16/933612516.db2.gz NYFDTPQPRRIRED-UHFFFAOYSA-N 1 1 382.376 3.689 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000561315366 934046137 /nfs/dbraw/zinc/04/61/37/934046137.db2.gz RUTZUCXYOOUELJ-UHFFFAOYSA-N 1 1 393.365 3.570 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000561774168 934441698 /nfs/dbraw/zinc/44/16/98/934441698.db2.gz SJGDGFMKEICQJF-FQEVSTJZSA-N 1 1 391.537 3.901 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000828145367 935585745 /nfs/dbraw/zinc/58/57/45/935585745.db2.gz DCEGVJQDYNTTLP-KGLIPLIRSA-N 1 1 379.888 3.939 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000828807018 935716234 /nfs/dbraw/zinc/71/62/34/935716234.db2.gz HVSBUBQPWHYYAT-UAPYVXQJSA-N 1 1 385.420 3.809 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc2c1OCCO2)[C@H]1CC[C@H](O)CC1 ZINC000828807830 935716710 /nfs/dbraw/zinc/71/67/10/935716710.db2.gz RPEAWVBBAGEFDM-WGSAOQKQSA-N 1 1 398.459 3.672 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2c1OCCO2)[C@H]1CC[C@H](O)CC1 ZINC000828807830 935716716 /nfs/dbraw/zinc/71/67/16/935716716.db2.gz RPEAWVBBAGEFDM-WGSAOQKQSA-N 1 1 398.459 3.672 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)cc2)C1 ZINC000829422735 935808430 /nfs/dbraw/zinc/80/84/30/935808430.db2.gz JOCBDWFCKLBQHA-CQSZACIVSA-N 1 1 387.411 3.707 20 5 GHBDMO C[N@H+](Cc1ccccc1)C[C@H](Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000829833456 935870759 /nfs/dbraw/zinc/87/07/59/935870759.db2.gz FKLOONBMMWILIO-GOSISDBHSA-N 1 1 395.419 3.615 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000545196362 1015643242 /nfs/dbraw/zinc/64/32/42/1015643242.db2.gz BDWUZFYQOFRFTE-LJQANCHMSA-N 1 1 390.443 3.589 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470825280 1016901086 /nfs/dbraw/zinc/90/10/86/1016901086.db2.gz SJRXVMUSBCBCLK-KMFMINBZSA-N 1 1 378.473 3.657 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560527784 1017653026 /nfs/dbraw/zinc/65/30/26/1017653026.db2.gz FEEGJDIRJGZIHL-WOJBJXKFSA-N 1 1 385.512 3.662 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+](Cc2ccccc2)CC2CCC2)cc1 ZINC000561750118 1017937701 /nfs/dbraw/zinc/93/77/01/1017937701.db2.gz QWVVDJQYSWEUQK-UHFFFAOYSA-N 1 1 388.489 3.671 20 5 GHBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](Cc2ccccc2)CC2CCC2)cc1 ZINC000561750118 1017937711 /nfs/dbraw/zinc/93/77/11/1017937711.db2.gz QWVVDJQYSWEUQK-UHFFFAOYSA-N 1 1 388.489 3.671 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932800815 1018677301 /nfs/dbraw/zinc/67/73/01/1018677301.db2.gz MLJUPJHWQZVWTH-DLBZAZTESA-N 1 1 391.487 3.780 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000564392602 1019066113 /nfs/dbraw/zinc/06/61/13/1019066113.db2.gz CWNSMPANQCJAQV-JOCHJYFZSA-N 1 1 395.459 3.702 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(=S)cc4[nH]c5ccccc5nc3-4)C[C@@H]21 ZINC001155996795 1032828890 /nfs/dbraw/zinc/82/88/90/1032828890.db2.gz UNCCIGIXKINOKW-DJJJIMSYSA-N 1 1 378.501 3.563 20 5 GHBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)C1 ZINC001155997326 1032830768 /nfs/dbraw/zinc/83/07/68/1032830768.db2.gz XRYWQCYZNPQGDC-AWEZNQCLSA-N 1 1 380.517 3.859 20 5 GHBDMO COc1cc(C[N@@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778951942 1020045271 /nfs/dbraw/zinc/04/52/71/1020045271.db2.gz PYBGFWLHKFZEPQ-MRXNPFEDSA-N 1 1 391.468 3.577 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000801539310 1021409996 /nfs/dbraw/zinc/40/99/96/1021409996.db2.gz FOAUYKUFUWIZGR-YQQAZPJKSA-N 1 1 393.459 3.859 20 5 GHBDMO COc1cc(C)nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001156317267 1032980670 /nfs/dbraw/zinc/98/06/70/1032980670.db2.gz KUHODGOBXVCURM-OKZBNKHCSA-N 1 1 382.464 3.629 20 5 GHBDMO Cc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c(C2CC2)n1 ZINC000835456284 1022156430 /nfs/dbraw/zinc/15/64/30/1022156430.db2.gz ASXQHFJVXGROPF-SFHVURJKSA-N 1 1 381.432 3.607 20 5 GHBDMO Cc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c(C2CC2)n1 ZINC000835456284 1022156446 /nfs/dbraw/zinc/15/64/46/1022156446.db2.gz ASXQHFJVXGROPF-SFHVURJKSA-N 1 1 381.432 3.607 20 5 GHBDMO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000836259647 1022786706 /nfs/dbraw/zinc/78/67/06/1022786706.db2.gz JEWGGOAYPHIEQK-PKOBYXMFSA-N 1 1 396.491 3.867 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000754699242 1022839792 /nfs/dbraw/zinc/83/97/92/1022839792.db2.gz IGEZAPSMLUPROE-NSHDSACASA-N 1 1 386.433 3.502 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001156581295 1033113581 /nfs/dbraw/zinc/11/35/81/1033113581.db2.gz JDSVOCGYTAWBLB-ZDUSSCGKSA-N 1 1 382.798 3.653 20 5 GHBDMO C[N@H+]1CC[C@H](NC(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001156581295 1033113590 /nfs/dbraw/zinc/11/35/90/1033113590.db2.gz JDSVOCGYTAWBLB-ZDUSSCGKSA-N 1 1 382.798 3.653 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000756287110 1023579332 /nfs/dbraw/zinc/57/93/32/1023579332.db2.gz LKECLWQOTUYHKW-FQEVSTJZSA-N 1 1 382.460 3.983 20 5 GHBDMO COC(=O)c1c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001229049826 1033249998 /nfs/dbraw/zinc/24/99/98/1033249998.db2.gz NEHUVRYCSXUJGB-PIIMJCKOSA-N 1 1 396.443 3.956 20 5 GHBDMO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001205114851 1033260314 /nfs/dbraw/zinc/26/03/14/1033260314.db2.gz JDRCNWRBXHTXPU-UHFFFAOYSA-N 1 1 397.475 3.872 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2Br)ccc1[N+](=O)[O-] ZINC000832680117 1025829894 /nfs/dbraw/zinc/82/98/94/1025829894.db2.gz NRXPMBAOJZMHPY-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO CN(CC(F)F)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839522226 1026003097 /nfs/dbraw/zinc/00/30/97/1026003097.db2.gz VHQJMLRPMRLNMQ-UHFFFAOYSA-N 1 1 392.244 3.519 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001139622903 1026489602 /nfs/dbraw/zinc/48/96/02/1026489602.db2.gz SJPVUAFBTHFUSA-RTBURBONSA-N 1 1 376.416 3.509 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001165123085 1026618451 /nfs/dbraw/zinc/61/84/51/1026618451.db2.gz ZWCCDFXOHMNPQX-UHFFFAOYSA-N 1 1 379.247 3.619 20 5 GHBDMO C[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165202351 1026663572 /nfs/dbraw/zinc/66/35/72/1026663572.db2.gz UPMDRHKJEHDBPZ-NEPJUHHUSA-N 1 1 396.278 3.791 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1C ZINC001165618356 1026779163 /nfs/dbraw/zinc/77/91/63/1026779163.db2.gz SFZFSCJYOHRKSC-IBGZPJMESA-N 1 1 381.476 3.601 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(N4CCCC4)CCOCC3)o2)cc1 ZINC001461167454 1069422563 /nfs/dbraw/zinc/42/25/63/1069422563.db2.gz PVVIUYWZDDCRGX-UHFFFAOYSA-N 1 1 385.464 3.589 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840179297 1027316378 /nfs/dbraw/zinc/31/63/78/1027316378.db2.gz QOTFPXHJMFVVEJ-LJQANCHMSA-N 1 1 377.448 3.875 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)Cc1cscn1 ZINC001142042072 1027938148 /nfs/dbraw/zinc/93/81/48/1027938148.db2.gz WVACFXCYZXCRRF-UHFFFAOYSA-N 1 1 378.457 3.594 20 5 GHBDMO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000840953560 1027983591 /nfs/dbraw/zinc/98/35/91/1027983591.db2.gz VBNKVBIJBVYXJH-UHFFFAOYSA-N 1 1 397.884 3.727 20 5 GHBDMO C[N@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841688431 1028835579 /nfs/dbraw/zinc/83/55/79/1028835579.db2.gz HIZGUFUCTKVDEM-HKUYNNGSSA-N 1 1 384.480 3.923 20 5 GHBDMO C[N@@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841688431 1028835597 /nfs/dbraw/zinc/83/55/97/1028835597.db2.gz HIZGUFUCTKVDEM-HKUYNNGSSA-N 1 1 384.480 3.923 20 5 GHBDMO COc1c(F)cccc1-c1noc(-c2cc(-n3cc[nH+]c3C)ccc2[N+](=O)[O-])n1 ZINC001216553254 1029684139 /nfs/dbraw/zinc/68/41/39/1029684139.db2.gz VWGZKMCSPKKAIU-UHFFFAOYSA-N 1 1 395.350 3.954 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001222515759 1030177807 /nfs/dbraw/zinc/17/78/07/1030177807.db2.gz GYVKKFJGDMYSNZ-VGSWGCGISA-N 1 1 396.491 3.928 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001223448013 1030578684 /nfs/dbraw/zinc/57/86/84/1030578684.db2.gz FBHJIQFCGCMZIS-CRAIPNDOSA-N 1 1 399.447 3.519 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223488965 1030599990 /nfs/dbraw/zinc/59/99/90/1030599990.db2.gz WTOBZANOAYUVPT-QRWLVFNGSA-N 1 1 385.420 3.930 20 5 GHBDMO COC(=O)[C@H](O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001223648076 1030681529 /nfs/dbraw/zinc/68/15/29/1030681529.db2.gz LWQHFIVEAYPOBS-MAODMQOUSA-N 1 1 398.459 3.736 20 5 GHBDMO COC(=O)c1cccc(CO[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001223665528 1030696568 /nfs/dbraw/zinc/69/65/68/1030696568.db2.gz SZFMPTYXDKNQSH-OXJNMPFZSA-N 1 1 398.459 3.809 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4CC[C@]45CC[NH2+]C5)ccc3c21 ZINC001218115720 1030779770 /nfs/dbraw/zinc/77/97/70/1030779770.db2.gz GSWFMKQZIMUNHI-XMSQKQJNSA-N 1 1 377.396 3.919 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@@H]2C[NH2+][C@@H]2C)c2c(=O)c3cccc(O)c3oc12 ZINC001218389236 1030916658 /nfs/dbraw/zinc/91/66/58/1030916658.db2.gz WXCJFZHBPUWFIF-KZULUSFZSA-N 1 1 381.428 3.605 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001225449792 1031420729 /nfs/dbraw/zinc/42/07/29/1031420729.db2.gz AOPRUEMJKDOIGF-NSISKUIASA-N 1 1 396.443 3.671 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc3oc4ccccc4c(=O)c3c2)[C@H](C)C1 ZINC001153427376 1031585397 /nfs/dbraw/zinc/58/53/97/1031585397.db2.gz AOQFCFAGCUVEJT-DNVCBOLYSA-N 1 1 378.472 3.795 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225887141 1031674391 /nfs/dbraw/zinc/67/43/91/1031674391.db2.gz VAOPJTKXNJECEN-FZKQIMNGSA-N 1 1 389.383 3.932 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001157067153 1033398561 /nfs/dbraw/zinc/39/85/61/1033398561.db2.gz YOMPLVISUMUFFX-UHFFFAOYSA-N 1 1 378.835 3.883 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001229401280 1033460082 /nfs/dbraw/zinc/46/00/82/1033460082.db2.gz DNSLZAVKUTXZBX-HNNXBMFYSA-N 1 1 384.823 3.845 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC001205908092 1033631121 /nfs/dbraw/zinc/63/11/21/1033631121.db2.gz OKJCRAKBXNHRIN-UHFFFAOYSA-N 1 1 380.448 3.880 20 5 GHBDMO CN(Cc1ccccc1)C1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC001205908092 1033631127 /nfs/dbraw/zinc/63/11/27/1033631127.db2.gz OKJCRAKBXNHRIN-UHFFFAOYSA-N 1 1 380.448 3.880 20 5 GHBDMO N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157742300 1033749451 /nfs/dbraw/zinc/74/94/51/1033749451.db2.gz BGZPWDXDPZLVNW-LADGPHEKSA-N 1 1 393.506 3.542 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001229959534 1033817601 /nfs/dbraw/zinc/81/76/01/1033817601.db2.gz DRDARRFFTFYMQN-OXQOHEQNSA-N 1 1 398.459 3.979 20 5 GHBDMO COC(=O)[C@H](C)Oc1ccccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001461872718 1069817160 /nfs/dbraw/zinc/81/71/60/1069817160.db2.gz SQSSTQXHJZZNDU-HNNXBMFYSA-N 1 1 384.432 3.700 20 5 GHBDMO COC(=O)[C@H](C)Oc1ccccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001461872718 1069817178 /nfs/dbraw/zinc/81/71/78/1069817178.db2.gz SQSSTQXHJZZNDU-HNNXBMFYSA-N 1 1 384.432 3.700 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001230314472 1033990630 /nfs/dbraw/zinc/99/06/30/1033990630.db2.gz FNNGHSFSNGDUJV-CQSZACIVSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001230314472 1033990634 /nfs/dbraw/zinc/99/06/34/1033990634.db2.gz FNNGHSFSNGDUJV-CQSZACIVSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001230316392 1033991985 /nfs/dbraw/zinc/99/19/85/1033991985.db2.gz WAKUEPIDMFFWIR-CYBMUJFWSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001230316392 1033991992 /nfs/dbraw/zinc/99/19/92/1033991992.db2.gz WAKUEPIDMFFWIR-CYBMUJFWSA-N 1 1 377.784 3.810 20 5 GHBDMO COc1cc(O[C@@H]2CCC[N@@H+](C)CC2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001230526328 1034102850 /nfs/dbraw/zinc/10/28/50/1034102850.db2.gz VYLAVOVFRNIEDN-CYBMUJFWSA-N 1 1 399.443 3.532 20 5 GHBDMO COc1cccnc1N1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232225601 1035172353 /nfs/dbraw/zinc/17/23/53/1035172353.db2.gz MVFSDIQLRKIEKF-UHFFFAOYSA-N 1 1 385.471 3.509 20 5 GHBDMO COc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232227156 1035172444 /nfs/dbraw/zinc/17/24/44/1035172444.db2.gz HEGRLMDWOXXHGG-IBGZPJMESA-N 1 1 386.455 3.840 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2-c2cnco2)no1 ZINC001248210180 1035640607 /nfs/dbraw/zinc/64/06/07/1035640607.db2.gz LQWDXBMAWSDDDP-INIZCTEOSA-N 1 1 377.360 3.542 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2N2CCCCC2)no1 ZINC001247665847 1038302986 /nfs/dbraw/zinc/30/29/86/1038302986.db2.gz KEAFLQSXECMQSH-KRWDZBQOSA-N 1 1 393.447 3.878 20 5 GHBDMO [NH3+][C@H](Cc1ccc(Cl)cc1Cl)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247681947 1038318555 /nfs/dbraw/zinc/31/85/55/1038318555.db2.gz QEYXYMQKXAUGOH-LLVKDONJSA-N 1 1 398.181 3.728 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001233578443 1039454666 /nfs/dbraw/zinc/45/46/66/1039454666.db2.gz SIAYNRXREOBTPP-CQSZACIVSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001233578443 1039454673 /nfs/dbraw/zinc/45/46/73/1039454673.db2.gz SIAYNRXREOBTPP-CQSZACIVSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)c1 ZINC001253173481 1039462083 /nfs/dbraw/zinc/46/20/83/1039462083.db2.gz OKYKGPJQDAQGHZ-DWLFOUALSA-N 1 1 382.460 3.736 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3cc(F)c([N+](=O)[O-])cc3F)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001233598732 1039470798 /nfs/dbraw/zinc/47/07/98/1039470798.db2.gz DWGHSDOVTSBYED-VIZZQPHQSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@H](Oc3cc(F)c([N+](=O)[O-])cc3F)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001233598732 1039470801 /nfs/dbraw/zinc/47/08/01/1039470801.db2.gz DWGHSDOVTSBYED-VIZZQPHQSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3cc(F)c([N+](=O)[O-])cc3F)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001233598731 1039471145 /nfs/dbraw/zinc/47/11/45/1039471145.db2.gz DWGHSDOVTSBYED-CYFNAFFESA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3cc(F)c([N+](=O)[O-])cc3F)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001233598731 1039471156 /nfs/dbraw/zinc/47/11/56/1039471156.db2.gz DWGHSDOVTSBYED-CYFNAFFESA-N 1 1 388.370 3.626 20 5 GHBDMO CN(C(=O)C[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001253404229 1039603772 /nfs/dbraw/zinc/60/37/72/1039603772.db2.gz RONQEIVWRKZPSZ-XMSQKQJNSA-N 1 1 379.460 3.959 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001233985182 1039742811 /nfs/dbraw/zinc/74/28/11/1039742811.db2.gz VOEPWQKHGFNQKT-QHAWAJNXSA-N 1 1 396.487 3.804 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001233985531 1039744227 /nfs/dbraw/zinc/74/42/27/1039744227.db2.gz ZPHLATNBHFMXTM-QGZVFWFLSA-N 1 1 390.867 3.821 20 5 GHBDMO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001234357411 1039982339 /nfs/dbraw/zinc/98/23/39/1039982339.db2.gz CSVKDLIIIWRLPT-MBOZVWFJSA-N 1 1 396.491 3.723 20 5 GHBDMO CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254551438 1040318716 /nfs/dbraw/zinc/31/87/16/1040318716.db2.gz AYTXBQWFACXHMJ-INIZCTEOSA-N 1 1 382.460 3.690 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001254552248 1040321824 /nfs/dbraw/zinc/32/18/24/1040321824.db2.gz JKKXXOQDNSINGO-IIBYNOLFSA-N 1 1 389.496 3.859 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254553868 1040322542 /nfs/dbraw/zinc/32/25/42/1040322542.db2.gz ZSLARZSFRHUIKB-WBVHZDCISA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001254558029 1040328800 /nfs/dbraw/zinc/32/88/00/1040328800.db2.gz SBFVDSSNJWSMAO-ZWCUEREDSA-N 1 1 397.475 3.623 20 5 GHBDMO Cc1ccc(O[C@@H]2C[C@@H]3CN([C@H](C)Cc4ccccc4[N+](=O)[O-])CC[N@H+]3C2)cc1 ZINC001254561336 1040333353 /nfs/dbraw/zinc/33/33/53/1040333353.db2.gz GPTOVQZJTJCAIH-SYYKKAFVSA-N 1 1 395.503 3.672 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001254569070 1040345031 /nfs/dbraw/zinc/34/50/31/1040345031.db2.gz HLJLZTZSHHKRML-VYDXJSESSA-N 1 1 377.485 3.903 20 5 GHBDMO CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254571574 1040348602 /nfs/dbraw/zinc/34/86/02/1040348602.db2.gz XYYJHAAVBXTEDO-UGKGYDQZSA-N 1 1 397.519 3.749 20 5 GHBDMO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588417 1040363007 /nfs/dbraw/zinc/36/30/07/1040363007.db2.gz FUNFBZXXPKMION-VOQZNFBZSA-N 1 1 379.504 3.810 20 5 GHBDMO CC[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001254608664 1040379588 /nfs/dbraw/zinc/37/95/88/1040379588.db2.gz RXXASQUXYGSQQK-RTBURBONSA-N 1 1 389.496 3.783 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001254608260 1040380498 /nfs/dbraw/zinc/38/04/98/1040380498.db2.gz QBBHISUANQEGOE-XKCSPQBFSA-N 1 1 377.488 3.516 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001254608260 1040380514 /nfs/dbraw/zinc/38/05/14/1040380514.db2.gz QBBHISUANQEGOE-XKCSPQBFSA-N 1 1 377.488 3.516 20 5 GHBDMO O=[N+]([O-])c1cc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cnc1Cl ZINC001255450496 1041053481 /nfs/dbraw/zinc/05/34/81/1041053481.db2.gz BVBVHYOXSLSCAO-CYBMUJFWSA-N 1 1 385.811 3.683 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1F ZINC001255494099 1041089425 /nfs/dbraw/zinc/08/94/25/1041089425.db2.gz CIOCSUJKGYGNFM-ZDUSSCGKSA-N 1 1 386.358 3.913 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C)CCc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC001256098915 1041526134 /nfs/dbraw/zinc/52/61/34/1041526134.db2.gz FLXHYJWGKSOHDR-UHFFFAOYSA-N 1 1 375.494 3.808 20 5 GHBDMO COc1ccc2c(c1)C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC1)C2 ZINC001256099838 1041526872 /nfs/dbraw/zinc/52/68/72/1041526872.db2.gz YGHNHKYKVHJJII-UHFFFAOYSA-N 1 1 383.448 3.597 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001293541840 1044232623 /nfs/dbraw/zinc/23/26/23/1044232623.db2.gz QGUWYNDABPCRPB-KBPBESRZSA-N 1 1 394.903 3.557 20 5 GHBDMO CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(C)CC2)C[C@@H]1C ZINC001296145108 1045262872 /nfs/dbraw/zinc/26/28/72/1045262872.db2.gz DAPSBHHHWIWUJV-INIZCTEOSA-N 1 1 398.511 3.574 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001297113771 1045454717 /nfs/dbraw/zinc/45/47/17/1045454717.db2.gz AVHYBFQUCFGHCW-GOSISDBHSA-N 1 1 397.479 3.512 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001301883138 1046745086 /nfs/dbraw/zinc/74/50/86/1046745086.db2.gz UJWNJUXLLNVNRX-RHSMWYFYSA-N 1 1 387.867 3.889 20 5 GHBDMO COc1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001263627676 1047004575 /nfs/dbraw/zinc/00/45/75/1047004575.db2.gz SJEXTLUVDJYJRC-QGZVFWFLSA-N 1 1 398.463 3.589 20 5 GHBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001303270143 1047332406 /nfs/dbraw/zinc/33/24/06/1047332406.db2.gz HELGHHWDLNLFOK-LPHOPBHVSA-N 1 1 398.511 3.572 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)c2c1 ZINC000612112988 1047531159 /nfs/dbraw/zinc/53/11/59/1047531159.db2.gz TZZXMPFIDUQYMS-LKUPVBHCSA-N 1 1 389.459 3.861 20 5 GHBDMO CSc1ccc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001265745297 1047664991 /nfs/dbraw/zinc/66/49/91/1047664991.db2.gz JSIULFCXVCSEFS-OAHLLOKOSA-N 1 1 387.505 3.957 20 5 GHBDMO CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001306641403 1048783223 /nfs/dbraw/zinc/78/32/23/1048783223.db2.gz KNUNLECAJNVGCF-APWZRJJASA-N 1 1 398.511 3.716 20 5 GHBDMO COC(=O)/C=C\c1ccc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001306931763 1048965364 /nfs/dbraw/zinc/96/53/64/1048965364.db2.gz AKLCONIMERLNJB-AOVQSPFDSA-N 1 1 389.496 3.951 20 5 GHBDMO CC(C)C[N@@H+](C)CCCNc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001307156444 1049109667 /nfs/dbraw/zinc/10/96/67/1049109667.db2.gz FVEFAIPNUVIKBU-UHFFFAOYSA-N 1 1 395.301 3.717 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001307185717 1049124525 /nfs/dbraw/zinc/12/45/25/1049124525.db2.gz SADCMVREJVQLNN-WMZOPIPTSA-N 1 1 397.475 3.870 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307748602 1049560826 /nfs/dbraw/zinc/56/08/26/1049560826.db2.gz GSWXYASPVSRGAG-MRXNPFEDSA-N 1 1 393.484 3.743 20 5 GHBDMO O=C(N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001289686696 1049590596 /nfs/dbraw/zinc/59/05/96/1049590596.db2.gz PHGMLNJNCPGJAO-AABGKKOBSA-N 1 1 379.460 3.625 20 5 GHBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1cccc(Br)c1 ZINC001307799510 1049598758 /nfs/dbraw/zinc/59/87/58/1049598758.db2.gz CTXLXZYZVHWICE-UHFFFAOYSA-N 1 1 379.254 3.911 20 5 GHBDMO C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001307805216 1049603501 /nfs/dbraw/zinc/60/35/01/1049603501.db2.gz OBTXZAFDSMUDLV-MRXNPFEDSA-N 1 1 379.460 3.603 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc3cc[nH]c3c2)c([N+](=O)[O-])c1 ZINC001308023739 1049775830 /nfs/dbraw/zinc/77/58/30/1049775830.db2.gz NDRPBCKKJNYPOA-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC001329211364 1050748430 /nfs/dbraw/zinc/74/84/30/1050748430.db2.gz XNXRWQRUAROUBQ-ZDUSSCGKSA-N 1 1 393.896 3.952 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC001310508378 1051403711 /nfs/dbraw/zinc/40/37/11/1051403711.db2.gz FKWPOVKCOJMZOE-NEPJUHHUSA-N 1 1 399.289 3.599 20 5 GHBDMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001312818533 1052881686 /nfs/dbraw/zinc/88/16/86/1052881686.db2.gz YVYLWAYHOVPWOB-GUXCAODWSA-N 1 1 382.464 3.618 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001313285897 1053006773 /nfs/dbraw/zinc/00/67/73/1053006773.db2.gz ATAUCPCAMSPHCU-KRWDZBQOSA-N 1 1 396.491 3.746 20 5 GHBDMO C[C@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)c(F)c1 ZINC001344812747 1054756339 /nfs/dbraw/zinc/75/63/39/1054756339.db2.gz LGLDCFKOSURVRR-GUYCJALGSA-N 1 1 390.386 3.794 20 5 GHBDMO C[C@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)c(F)c1 ZINC001344812747 1054756350 /nfs/dbraw/zinc/75/63/50/1054756350.db2.gz LGLDCFKOSURVRR-GUYCJALGSA-N 1 1 390.386 3.794 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001345370627 1055010572 /nfs/dbraw/zinc/01/05/72/1055010572.db2.gz LUMOXWVSWFJYGM-GDBMZVCRSA-N 1 1 384.436 3.560 20 5 GHBDMO CCOc1ccc(C[N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)cc1OC ZINC001319197420 1055091853 /nfs/dbraw/zinc/09/18/53/1055091853.db2.gz WEMCPHVBOYZGFP-UHFFFAOYSA-N 1 1 384.436 3.750 20 5 GHBDMO CCOc1ccc(C[N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)cc1OC ZINC001319197420 1055091861 /nfs/dbraw/zinc/09/18/61/1055091861.db2.gz WEMCPHVBOYZGFP-UHFFFAOYSA-N 1 1 384.436 3.750 20 5 GHBDMO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC001319374922 1055211558 /nfs/dbraw/zinc/21/15/58/1055211558.db2.gz NJOAAMDEJHHLIG-UHFFFAOYSA-N 1 1 388.449 3.596 20 5 GHBDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC001319374922 1055211570 /nfs/dbraw/zinc/21/15/70/1055211570.db2.gz NJOAAMDEJHHLIG-UHFFFAOYSA-N 1 1 388.449 3.596 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001319483301 1055276322 /nfs/dbraw/zinc/27/63/22/1055276322.db2.gz NODYNUFLNZRWRC-HUUCEWRRSA-N 1 1 393.447 3.678 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001319483301 1055276334 /nfs/dbraw/zinc/27/63/34/1055276334.db2.gz NODYNUFLNZRWRC-HUUCEWRRSA-N 1 1 393.447 3.678 20 5 GHBDMO CN1CC[NH+](Cc2cccc(CNc3nc4ccccc4cc3[N+](=O)[O-])c2)CC1 ZINC001320992341 1056049023 /nfs/dbraw/zinc/04/90/23/1056049023.db2.gz JRSCSYSQRCUOBO-UHFFFAOYSA-N 1 1 391.475 3.503 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001321241887 1056180189 /nfs/dbraw/zinc/18/01/89/1056180189.db2.gz ZRBWGESUKLETRP-DOTOQJQBSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001321241887 1056180203 /nfs/dbraw/zinc/18/02/03/1056180203.db2.gz ZRBWGESUKLETRP-DOTOQJQBSA-N 1 1 377.803 3.563 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC001472836058 1056934037 /nfs/dbraw/zinc/93/40/37/1056934037.db2.gz VHWVRSVISCSCHF-CYBMUJFWSA-N 1 1 396.369 3.704 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC001472836058 1056934047 /nfs/dbraw/zinc/93/40/47/1056934047.db2.gz VHWVRSVISCSCHF-CYBMUJFWSA-N 1 1 396.369 3.704 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC001472836059 1056934191 /nfs/dbraw/zinc/93/41/91/1056934191.db2.gz VHWVRSVISCSCHF-ZDUSSCGKSA-N 1 1 396.369 3.704 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC001472836059 1056934193 /nfs/dbraw/zinc/93/41/93/1056934193.db2.gz VHWVRSVISCSCHF-ZDUSSCGKSA-N 1 1 396.369 3.704 20 5 GHBDMO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001324151482 1057079745 /nfs/dbraw/zinc/07/97/45/1057079745.db2.gz YUNSSZUTASVFRQ-ZDUSSCGKSA-N 1 1 399.285 3.913 20 5 GHBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001324151482 1057079752 /nfs/dbraw/zinc/07/97/52/1057079752.db2.gz YUNSSZUTASVFRQ-ZDUSSCGKSA-N 1 1 399.285 3.913 20 5 GHBDMO O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccn(-c2cc[nH+]cc2)n1 ZINC001325924924 1057384214 /nfs/dbraw/zinc/38/42/14/1057384214.db2.gz PNJOKYAIRDXLAM-UHFFFAOYSA-N 1 1 393.186 3.839 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001441384320 1058771167 /nfs/dbraw/zinc/77/11/67/1058771167.db2.gz VQBKYFIBOFBINW-INIZCTEOSA-N 1 1 399.466 3.967 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1)C1CC1 ZINC001446967325 1059909375 /nfs/dbraw/zinc/90/93/75/1059909375.db2.gz CBEKAIQVRHJJFG-UHFFFAOYSA-N 1 1 388.855 3.719 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C2(CCCCC2)C1 ZINC001435294725 1062472709 /nfs/dbraw/zinc/47/27/09/1062472709.db2.gz DEYCLFGOUFJHKJ-UHFFFAOYSA-N 1 1 385.386 3.704 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001435655772 1062816569 /nfs/dbraw/zinc/81/65/69/1062816569.db2.gz BOENTXLVFQWLSW-MAODMQOUSA-N 1 1 397.450 3.764 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001348258472 1062969649 /nfs/dbraw/zinc/96/96/49/1062969649.db2.gz FDRQOJMSLAKMBE-YOEHRIQHSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001348258472 1062969657 /nfs/dbraw/zinc/96/96/57/1062969657.db2.gz FDRQOJMSLAKMBE-YOEHRIQHSA-N 1 1 377.803 3.563 20 5 GHBDMO C[NH+](C)[C@H](C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F)c1ccc(Cl)cc1 ZINC001436377202 1063415034 /nfs/dbraw/zinc/41/50/34/1063415034.db2.gz NMANSOHRWYNFAE-KRWDZBQOSA-N 1 1 377.803 3.579 20 5 GHBDMO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1F ZINC001458282605 1063719192 /nfs/dbraw/zinc/71/91/92/1063719192.db2.gz IJHHONOWXLOIQF-IMFGXOCKSA-N 1 1 399.466 3.939 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(NC[C@@H]3CCC[N@@H+](CC4CC4)C3)c2c1 ZINC001350515295 1064111076 /nfs/dbraw/zinc/11/10/76/1064111076.db2.gz PADKLHZQRAJKDY-ZDUSSCGKSA-N 1 1 375.860 3.725 20 5 GHBDMO O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001459649413 1064153852 /nfs/dbraw/zinc/15/38/52/1064153852.db2.gz BDQNZCCGNAXZFY-NFBKMPQASA-N 1 1 395.503 3.960 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001459825095 1064233875 /nfs/dbraw/zinc/23/38/75/1064233875.db2.gz FXWHDEYNCCICQW-QGZVFWFLSA-N 1 1 379.526 3.947 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001464426996 1065001575 /nfs/dbraw/zinc/00/15/75/1065001575.db2.gz JFERPRVFZXGDIM-FRRDWIJNSA-N 1 1 387.402 3.710 20 5 GHBDMO Cc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001466026589 1065960040 /nfs/dbraw/zinc/96/00/40/1065960040.db2.gz HCDPMFVJSITETQ-MRXNPFEDSA-N 1 1 382.464 3.889 20 5 GHBDMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2)C1 ZINC001353555785 1066037158 /nfs/dbraw/zinc/03/71/58/1066037158.db2.gz KHHZLPLROKGCBY-LJQANCHMSA-N 1 1 379.460 3.603 20 5 GHBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001200384201 1066056191 /nfs/dbraw/zinc/05/61/91/1066056191.db2.gz RIHWJJATHDEKDM-KRWDZBQOSA-N 1 1 384.436 3.945 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001466677430 1066251565 /nfs/dbraw/zinc/25/15/65/1066251565.db2.gz VPJTZGDIRGHLSY-HUUCEWRRSA-N 1 1 386.427 3.861 20 5 GHBDMO O=C(Nc1c[nH+]ccc1Nc1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001469689947 1068314282 /nfs/dbraw/zinc/31/42/82/1068314282.db2.gz CKQJDFGTDFTAAJ-UHFFFAOYSA-N 1 1 384.342 3.886 20 5 GHBDMO CC(C)[N@@H+](C)CCn1c(C2CC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001360107324 1068364071 /nfs/dbraw/zinc/36/40/71/1068364071.db2.gz LQSCEXOMZHAADR-UHFFFAOYSA-N 1 1 398.511 3.573 20 5 GHBDMO O=C1[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1c1ccccc1 ZINC001460126668 1068797138 /nfs/dbraw/zinc/79/71/38/1068797138.db2.gz DZIDJOXQYKQTDG-WIYYLYMNSA-N 1 1 379.460 3.970 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC001460258714 1068889519 /nfs/dbraw/zinc/88/95/19/1068889519.db2.gz QXVZGYCEBBFUOK-KRWDZBQOSA-N 1 1 383.448 3.810 20 5 GHBDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001460602756 1069021139 /nfs/dbraw/zinc/02/11/39/1069021139.db2.gz JFHDZSNJSUVFKE-MSOLQXFVSA-N 1 1 388.439 3.742 20 5 GHBDMO CCOC(=O)c1sc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)nc1C ZINC001460676156 1069078434 /nfs/dbraw/zinc/07/84/34/1069078434.db2.gz JNVCABRIBGEWBM-UHFFFAOYSA-N 1 1 389.477 3.916 20 5 GHBDMO Cc1ccc(CN2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC001460693401 1069091769 /nfs/dbraw/zinc/09/17/69/1069091769.db2.gz LPXWQOYZJTXBIP-CVDCTZTESA-N 1 1 395.503 3.769 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC001460693401 1069091773 /nfs/dbraw/zinc/09/17/73/1069091773.db2.gz LPXWQOYZJTXBIP-CVDCTZTESA-N 1 1 395.503 3.769 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC001460693401 1069091778 /nfs/dbraw/zinc/09/17/78/1069091778.db2.gz LPXWQOYZJTXBIP-CVDCTZTESA-N 1 1 395.503 3.769 20 5 GHBDMO CCc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001471786826 1073218805 /nfs/dbraw/zinc/21/88/05/1073218805.db2.gz IINBJJOMNSQDSW-UHFFFAOYSA-N 1 1 396.472 3.935 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001472504394 1073519035 /nfs/dbraw/zinc/51/90/35/1073519035.db2.gz DQPCJSDNDSLNIV-SFHVURJKSA-N 1 1 395.450 3.848 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccc3)CC2)c(Br)c1 ZINC001472647868 1073594560 /nfs/dbraw/zinc/59/45/60/1073594560.db2.gz JBHGANBKAWUKOW-UHFFFAOYSA-N 1 1 390.281 3.722 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC001472651256 1073596773 /nfs/dbraw/zinc/59/67/73/1073596773.db2.gz XCIKRAUBRIYAIG-UHFFFAOYSA-N 1 1 383.448 3.630 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001479158859 1079129000 /nfs/dbraw/zinc/12/90/00/1079129000.db2.gz SXULSBRTGBAYFH-APWZRJJASA-N 1 1 382.464 3.538 20 5 GHBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC001472750017 1073648157 /nfs/dbraw/zinc/64/81/57/1073648157.db2.gz KELHJIQONNQEHJ-MRXNPFEDSA-N 1 1 376.416 3.553 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001472821949 1073681761 /nfs/dbraw/zinc/68/17/61/1073681761.db2.gz CLHLMEBMHCIDDL-ARFHVFGLSA-N 1 1 384.436 3.991 20 5 GHBDMO Cc1ccc(N(C)[C@H]2CCC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC001473304613 1073913658 /nfs/dbraw/zinc/91/36/58/1073913658.db2.gz QLRSLNDLZLDFFE-FQEVSTJZSA-N 1 1 396.491 3.751 20 5 GHBDMO Cc1ccc(N(C)[C@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC001473304613 1073913662 /nfs/dbraw/zinc/91/36/62/1073913662.db2.gz QLRSLNDLZLDFFE-FQEVSTJZSA-N 1 1 396.491 3.751 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001473487041 1073985801 /nfs/dbraw/zinc/98/58/01/1073985801.db2.gz YAOVMCJXMIBZJF-KRWDZBQOSA-N 1 1 383.448 3.812 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001473487041 1073985807 /nfs/dbraw/zinc/98/58/07/1073985807.db2.gz YAOVMCJXMIBZJF-KRWDZBQOSA-N 1 1 383.448 3.812 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC001473530195 1074004809 /nfs/dbraw/zinc/00/48/09/1074004809.db2.gz HEPNIODAIPZDLT-GHTZIAJQSA-N 1 1 382.460 3.952 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC001473818676 1074159116 /nfs/dbraw/zinc/15/91/16/1074159116.db2.gz RXYUSHPLIOQDON-HNAYVOBHSA-N 1 1 383.448 3.810 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897353 1074195138 /nfs/dbraw/zinc/19/51/38/1074195138.db2.gz JVINFTODRZHHSS-JKSUJKDBSA-N 1 1 399.495 3.753 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1c1ccccc1 ZINC001473980001 1074224893 /nfs/dbraw/zinc/22/48/93/1074224893.db2.gz LWFVADZLKRHXJI-IBGZPJMESA-N 1 1 377.400 3.750 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC001474247893 1074309381 /nfs/dbraw/zinc/30/93/81/1074309381.db2.gz GPDWWCSDGGUOLF-UHFFFAOYSA-N 1 1 395.644 3.948 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)C1 ZINC001474318051 1074340478 /nfs/dbraw/zinc/34/04/78/1074340478.db2.gz ONLMQWIBICJARB-MFKMUULPSA-N 1 1 376.320 3.581 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001474374791 1074371257 /nfs/dbraw/zinc/37/12/57/1074371257.db2.gz DGAHKGJPSNNASQ-YOEHRIQHSA-N 1 1 377.485 3.947 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474464522 1074418036 /nfs/dbraw/zinc/41/80/36/1074418036.db2.gz QCCVMGSQUNNMNW-LJQANCHMSA-N 1 1 382.464 3.982 20 5 GHBDMO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474464522 1074418039 /nfs/dbraw/zinc/41/80/39/1074418039.db2.gz QCCVMGSQUNNMNW-LJQANCHMSA-N 1 1 382.464 3.982 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001474612578 1074484097 /nfs/dbraw/zinc/48/40/97/1074484097.db2.gz MCGXLADQPBRUQG-DHIUTWEWSA-N 1 1 395.503 3.687 20 5 GHBDMO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[nH]1 ZINC001474724362 1074534680 /nfs/dbraw/zinc/53/46/80/1074534680.db2.gz PVDCUIVSDUYMBI-LOWVWBTDSA-N 1 1 383.374 3.794 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC001164629093 719084613 /nfs/dbraw/zinc/08/46/13/719084613.db2.gz VNXIPLXQXNRHDJ-APWZRJJASA-N 1 1 377.448 3.572 20 5 GHBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164649125 719310303 /nfs/dbraw/zinc/31/03/03/719310303.db2.gz OEAANPTVTGYVSR-UHFFFAOYSA-N 1 1 394.479 3.545 20 5 GHBDMO Cc1ccncc1C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580743870 837392896 /nfs/dbraw/zinc/39/28/96/837392896.db2.gz QRNVZLMDDZTPAJ-UHFFFAOYSA-N 1 1 397.216 3.535 20 5 GHBDMO Cc1ccncc1C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580743870 837392905 /nfs/dbraw/zinc/39/29/05/837392905.db2.gz QRNVZLMDDZTPAJ-UHFFFAOYSA-N 1 1 397.216 3.535 20 5 GHBDMO CSc1cccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000186992685 837520879 /nfs/dbraw/zinc/52/08/79/837520879.db2.gz GWYPDAGHYKGRTD-KGLIPLIRSA-N 1 1 377.510 3.700 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000175288012 834696338 /nfs/dbraw/zinc/69/63/38/834696338.db2.gz CGFVZUHWKPOGEA-GOSISDBHSA-N 1 1 397.475 3.588 20 5 GHBDMO Cc1c(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000510070775 834848786 /nfs/dbraw/zinc/84/87/86/834848786.db2.gz KEPGXFFYKRBNAW-QFBILLFUSA-N 1 1 381.476 3.934 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000611938033 835083584 /nfs/dbraw/zinc/08/35/84/835083584.db2.gz GSGIYXXBLXUGNP-IBGZPJMESA-N 1 1 396.491 3.659 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000430206913 835099527 /nfs/dbraw/zinc/09/95/27/835099527.db2.gz PGUUXHSRHPIPNE-KRWDZBQOSA-N 1 1 388.468 3.562 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000510090851 835121452 /nfs/dbraw/zinc/12/14/52/835121452.db2.gz YVSJLLOLJMYLHG-XLIONFOSSA-N 1 1 381.476 3.554 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000135805704 835228477 /nfs/dbraw/zinc/22/84/77/835228477.db2.gz URWNUYQGVYFXGF-CQSZACIVSA-N 1 1 377.510 3.557 20 5 GHBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000179341761 835536648 /nfs/dbraw/zinc/53/66/48/835536648.db2.gz FTSPDXIWUNBFPW-KRWDZBQOSA-N 1 1 383.448 3.593 20 5 GHBDMO COc1cc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000188478769 835920376 /nfs/dbraw/zinc/92/03/76/835920376.db2.gz BOBFJVWQIORGLX-GOSISDBHSA-N 1 1 397.475 3.506 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000411174509 836077392 /nfs/dbraw/zinc/07/73/92/836077392.db2.gz SKPNBXBXMYRSFF-CYBMUJFWSA-N 1 1 375.400 3.764 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(Nc3ncnc4sc([N+](=O)[O-])cc43)c2)C[C@H](C)O1 ZINC000582504088 836320706 /nfs/dbraw/zinc/32/07/06/836320706.db2.gz UOBNRJOXQMXKEL-BETUJISGSA-N 1 1 399.476 3.952 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)o2)c1 ZINC000411958650 836460268 /nfs/dbraw/zinc/46/02/68/836460268.db2.gz XNSICHXKMGZULZ-RBUKOAKNSA-N 1 1 379.416 3.600 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000612614250 836483791 /nfs/dbraw/zinc/48/37/91/836483791.db2.gz JGBFDSPAAUULDF-HNNXBMFYSA-N 1 1 386.427 3.862 20 5 GHBDMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000180000472 836568936 /nfs/dbraw/zinc/56/89/36/836568936.db2.gz JSBLBDARLCHELS-ZZXKWVIFSA-N 1 1 383.423 3.595 20 5 GHBDMO O=C(c1ccc(F)cc1)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000180000472 836568944 /nfs/dbraw/zinc/56/89/44/836568944.db2.gz JSBLBDARLCHELS-ZZXKWVIFSA-N 1 1 383.423 3.595 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000174916844 836597233 /nfs/dbraw/zinc/59/72/33/836597233.db2.gz KHSYIFNBFWESRC-GOSISDBHSA-N 1 1 399.516 3.667 20 5 GHBDMO C[C@H]1C[NH+](CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000025151631 844197892 /nfs/dbraw/zinc/19/78/92/844197892.db2.gz IRVZASFTAXJDSE-IRXDYDNUSA-N 1 1 397.475 3.737 20 5 GHBDMO O=C(C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1)N1CCCCC1 ZINC000549742304 844216500 /nfs/dbraw/zinc/21/65/00/844216500.db2.gz VPUHYEWYUMMWLK-UHFFFAOYSA-N 1 1 399.413 3.838 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000613022452 837102809 /nfs/dbraw/zinc/10/28/09/837102809.db2.gz CLURXBXTYFDERB-SFHVURJKSA-N 1 1 399.466 3.744 20 5 GHBDMO C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000579908053 837235557 /nfs/dbraw/zinc/23/55/57/837235557.db2.gz DMUGUNGJUTZCKG-ACJLOTCBSA-N 1 1 375.856 3.771 20 5 GHBDMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177039047 837849401 /nfs/dbraw/zinc/84/94/01/837849401.db2.gz YQBXNCVVJRFRRH-UHFFFAOYSA-N 1 1 398.394 3.726 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000127402855 844270340 /nfs/dbraw/zinc/27/03/40/844270340.db2.gz BPGCLBFEWGNDPL-UHFFFAOYSA-N 1 1 385.489 3.832 20 5 GHBDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000101559198 837962818 /nfs/dbraw/zinc/96/28/18/837962818.db2.gz CFWCYGIDSLVSFM-UHFFFAOYSA-N 1 1 394.431 3.753 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000101559198 837962828 /nfs/dbraw/zinc/96/28/28/837962828.db2.gz CFWCYGIDSLVSFM-UHFFFAOYSA-N 1 1 394.431 3.753 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177492238 837989778 /nfs/dbraw/zinc/98/97/78/837989778.db2.gz APDWKCHALADFGL-OAHLLOKOSA-N 1 1 375.469 3.593 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(OCC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000177493786 837991203 /nfs/dbraw/zinc/99/12/03/837991203.db2.gz PPUVVQWKGRLPTF-MRXNPFEDSA-N 1 1 389.496 3.901 20 5 GHBDMO COc1cc(C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)ccc1O ZINC000102176141 838074010 /nfs/dbraw/zinc/07/40/10/838074010.db2.gz REUQHDDIWDDRJQ-UHFFFAOYSA-N 1 1 399.447 3.611 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000610296856 838201616 /nfs/dbraw/zinc/20/16/16/838201616.db2.gz MVURXYGZFPFIFQ-IBGZPJMESA-N 1 1 394.475 3.516 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610298380 838231375 /nfs/dbraw/zinc/23/13/75/838231375.db2.gz VSQJZFIOPXBILC-SFHVURJKSA-N 1 1 379.416 3.688 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)CC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000189298340 838251568 /nfs/dbraw/zinc/25/15/68/838251568.db2.gz NFIVVPYQUVCFBK-UHFFFAOYSA-N 1 1 383.448 3.596 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000782892779 838290621 /nfs/dbraw/zinc/29/06/21/838290621.db2.gz AZGXCUMZDKANHE-LJQANCHMSA-N 1 1 381.436 3.623 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103469121 838422571 /nfs/dbraw/zinc/42/25/71/838422571.db2.gz OHCVVWWNNFSCBO-LBPRGKRZSA-N 1 1 392.818 3.633 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103469121 838422577 /nfs/dbraw/zinc/42/25/77/838422577.db2.gz OHCVVWWNNFSCBO-LBPRGKRZSA-N 1 1 392.818 3.633 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000471520439 838677613 /nfs/dbraw/zinc/67/76/13/838677613.db2.gz FDFXUAIVTGQVGF-NVXWUHKLSA-N 1 1 375.856 3.543 20 5 GHBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548066135 839025626 /nfs/dbraw/zinc/02/56/26/839025626.db2.gz RICYBJDZJLKVAO-HXUWFJFHSA-N 1 1 377.488 3.532 20 5 GHBDMO C[C@H](OC[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549172953 839156113 /nfs/dbraw/zinc/15/61/13/839156113.db2.gz PZHFUASBAUTMPB-YWZLYKJASA-N 1 1 392.883 3.861 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000616132039 839417805 /nfs/dbraw/zinc/41/78/05/839417805.db2.gz GXSNZJBRBFGZNN-HXUWFJFHSA-N 1 1 384.432 3.730 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000616132039 839417816 /nfs/dbraw/zinc/41/78/16/839417816.db2.gz GXSNZJBRBFGZNN-HXUWFJFHSA-N 1 1 384.432 3.730 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000025463267 844460285 /nfs/dbraw/zinc/46/02/85/844460285.db2.gz ITGISNVVLGVNGJ-UHFFFAOYSA-N 1 1 399.516 3.883 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610446179 839759436 /nfs/dbraw/zinc/75/94/36/839759436.db2.gz UCFQJIWMDMIWFX-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000892997970 839862973 /nfs/dbraw/zinc/86/29/73/839862973.db2.gz KUQOPFAZKCOBJH-UHFFFAOYSA-N 1 1 379.819 3.514 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000119330175 840270206 /nfs/dbraw/zinc/27/02/06/840270206.db2.gz UXKPBXHCPRJGFI-HNNXBMFYSA-N 1 1 394.431 3.735 20 5 GHBDMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000511741426 840585817 /nfs/dbraw/zinc/58/58/17/840585817.db2.gz IUTDFULDWLXUNS-HXUWFJFHSA-N 1 1 381.476 3.934 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]1c1cccs1 ZINC000610200057 840742065 /nfs/dbraw/zinc/74/20/65/840742065.db2.gz BBZBKMSBRPNYRT-DJJJIMSYSA-N 1 1 398.488 3.951 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000110870637 840779925 /nfs/dbraw/zinc/77/99/25/840779925.db2.gz XDBXJNPGWNXIIE-UHFFFAOYSA-N 1 1 380.448 3.846 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000274216908 840855236 /nfs/dbraw/zinc/85/52/36/840855236.db2.gz JBNWCHPSHYUTLZ-HMXCVIKNSA-N 1 1 392.459 3.928 20 5 GHBDMO COc1cc(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000277059355 844589356 /nfs/dbraw/zinc/58/93/56/844589356.db2.gz DBFOYPCFTYEWDT-MRXNPFEDSA-N 1 1 386.383 3.508 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000120623832 844623181 /nfs/dbraw/zinc/62/31/81/844623181.db2.gz RVGSOPSHEFOTKJ-KRWDZBQOSA-N 1 1 388.512 3.781 20 5 GHBDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000108396296 841598879 /nfs/dbraw/zinc/59/88/79/841598879.db2.gz DNWBWVVQGHOXOE-CQSZACIVSA-N 1 1 388.411 3.986 20 5 GHBDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000108396297 841599200 /nfs/dbraw/zinc/59/92/00/841599200.db2.gz DNWBWVVQGHOXOE-AWEZNQCLSA-N 1 1 388.411 3.986 20 5 GHBDMO CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1[N+](=O)[O-] ZINC000108990066 841759568 /nfs/dbraw/zinc/75/95/68/841759568.db2.gz TWZHJAGKUVCPEV-UHFFFAOYSA-N 1 1 398.394 3.557 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCOc1ccccc1F ZINC000015045842 841822027 /nfs/dbraw/zinc/82/20/27/841822027.db2.gz CROBMJRHUHIICQ-GFCCVEGCSA-N 1 1 395.818 3.725 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCOc1ccccc1F ZINC000015045842 841822033 /nfs/dbraw/zinc/82/20/33/841822033.db2.gz CROBMJRHUHIICQ-GFCCVEGCSA-N 1 1 395.818 3.725 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCOc1ccccc1F ZINC000015046584 841823419 /nfs/dbraw/zinc/82/34/19/841823419.db2.gz ALLLQSNGVACHMS-GFCCVEGCSA-N 1 1 395.818 3.725 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCOc1ccccc1F ZINC000015046584 841823431 /nfs/dbraw/zinc/82/34/31/841823431.db2.gz ALLLQSNGVACHMS-GFCCVEGCSA-N 1 1 395.818 3.725 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000121455749 842124579 /nfs/dbraw/zinc/12/45/79/842124579.db2.gz QXHAMFVLQWIHQL-MRXNPFEDSA-N 1 1 395.463 3.630 20 5 GHBDMO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000569744267 842224164 /nfs/dbraw/zinc/22/41/64/842224164.db2.gz BBMPRYOYARUYQM-ZDUSSCGKSA-N 1 1 388.411 3.984 20 5 GHBDMO C[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1Cc1ccccc1 ZINC000585756138 842264570 /nfs/dbraw/zinc/26/45/70/842264570.db2.gz KMSBGXVHMAUUOB-OAQYLSRUSA-N 1 1 392.459 3.609 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125625201 842489362 /nfs/dbraw/zinc/48/93/62/842489362.db2.gz CPTRLUYDIDBGPL-OAHLLOKOSA-N 1 1 375.469 3.736 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279042257 842498643 /nfs/dbraw/zinc/49/86/43/842498643.db2.gz JMBWJBWBCRMJDX-UHFFFAOYSA-N 1 1 395.385 3.925 20 5 GHBDMO CCc1oc2ccccc2c1C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610556456 842586933 /nfs/dbraw/zinc/58/69/33/842586933.db2.gz FLSVUFVMGBMJNC-MRXNPFEDSA-N 1 1 384.432 3.775 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC001266862248 842674086 /nfs/dbraw/zinc/67/40/86/842674086.db2.gz FSOORVBORBZULA-NRFANRHFSA-N 1 1 381.476 3.617 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000510536514 842919465 /nfs/dbraw/zinc/91/94/65/842919465.db2.gz FQORLEJZMVVXBO-UHFFFAOYSA-N 1 1 378.432 3.738 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000510536514 842919474 /nfs/dbraw/zinc/91/94/74/842919474.db2.gz FQORLEJZMVVXBO-UHFFFAOYSA-N 1 1 378.432 3.738 20 5 GHBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000126040210 842932257 /nfs/dbraw/zinc/93/22/57/842932257.db2.gz SEVQNZMASNTTMS-UZLBHIALSA-N 1 1 396.491 3.619 20 5 GHBDMO C[C@@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001126212937 842933360 /nfs/dbraw/zinc/93/33/60/842933360.db2.gz YLSRELUUORUJBR-HNNXBMFYSA-N 1 1 389.883 3.818 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CNc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000429802466 843029024 /nfs/dbraw/zinc/02/90/24/843029024.db2.gz ZDMJRDFDHWSBOO-HZPDHXFCSA-N 1 1 385.464 3.825 20 5 GHBDMO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1COc2ccccc2O1 ZINC000610581119 843082422 /nfs/dbraw/zinc/08/24/22/843082422.db2.gz MZOLLGCAXZCGOY-OAHLLOKOSA-N 1 1 383.404 3.788 20 5 GHBDMO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1COc2ccccc2O1 ZINC000610581119 843082432 /nfs/dbraw/zinc/08/24/32/843082432.db2.gz MZOLLGCAXZCGOY-OAHLLOKOSA-N 1 1 383.404 3.788 20 5 GHBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000510628841 843088789 /nfs/dbraw/zinc/08/87/89/843088789.db2.gz JGMDDBKMXWZYNT-HNNXBMFYSA-N 1 1 398.381 3.794 20 5 GHBDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)n2)c1 ZINC000279551307 843131721 /nfs/dbraw/zinc/13/17/21/843131721.db2.gz QWOTYXAEIXOZTA-GUYCJALGSA-N 1 1 378.436 3.812 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512285023 843319240 /nfs/dbraw/zinc/31/92/40/843319240.db2.gz FSVVFTUVQPCTAO-JOCHJYFZSA-N 1 1 381.476 3.701 20 5 GHBDMO CCOCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21 ZINC000599626501 861413083 /nfs/dbraw/zinc/41/30/83/861413083.db2.gz XBWZOPVLJLEANY-OAQYLSRUSA-N 1 1 398.459 3.987 20 5 GHBDMO CCOCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21 ZINC000599626501 861413092 /nfs/dbraw/zinc/41/30/92/861413092.db2.gz XBWZOPVLJLEANY-OAQYLSRUSA-N 1 1 398.459 3.987 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610676655 843497622 /nfs/dbraw/zinc/49/76/22/843497622.db2.gz QSTWGFTUHSQYJQ-SFHVURJKSA-N 1 1 383.448 3.692 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610676655 843497626 /nfs/dbraw/zinc/49/76/26/843497626.db2.gz QSTWGFTUHSQYJQ-SFHVURJKSA-N 1 1 383.448 3.692 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000510806404 843514468 /nfs/dbraw/zinc/51/44/68/843514468.db2.gz JSNWLZGURAXYFD-UHFFFAOYSA-N 1 1 383.448 3.596 20 5 GHBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000278886577 843533354 /nfs/dbraw/zinc/53/33/54/843533354.db2.gz PUDAWLQYGFNSHR-KRWDZBQOSA-N 1 1 389.499 3.713 20 5 GHBDMO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000603941103 861427652 /nfs/dbraw/zinc/42/76/52/861427652.db2.gz LMDAPXQRXATINX-HXUWFJFHSA-N 1 1 385.439 3.547 20 5 GHBDMO COc1ccc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000051709637 843588992 /nfs/dbraw/zinc/58/89/92/843588992.db2.gz OHZYBBDJCRVACJ-UHFFFAOYSA-N 1 1 382.363 3.716 20 5 GHBDMO Cc1c(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000481469867 861453625 /nfs/dbraw/zinc/45/36/25/861453625.db2.gz VWMXHPKLYHUATQ-SFHVURJKSA-N 1 1 385.439 3.571 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1OC ZINC000433297418 843995237 /nfs/dbraw/zinc/99/52/37/843995237.db2.gz LFCKMOBNCHCGID-FOIQADDNSA-N 1 1 392.496 3.908 20 5 GHBDMO COc1ccc(C[NH2+]Cc2ccncc2OCc2ccccc2)cc1[N+](=O)[O-] ZINC000512492169 844008004 /nfs/dbraw/zinc/00/80/04/844008004.db2.gz OEOAGHCWVIDOMF-UHFFFAOYSA-N 1 1 379.416 3.867 20 5 GHBDMO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599659194 861490168 /nfs/dbraw/zinc/49/01/68/861490168.db2.gz FHPHMDQDKSEPQH-MRXNPFEDSA-N 1 1 384.480 3.506 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 ZINC000600300116 861501903 /nfs/dbraw/zinc/50/19/03/861501903.db2.gz XXWPUEYJFLXLIQ-SFHVURJKSA-N 1 1 397.475 3.533 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 ZINC000600300116 861501914 /nfs/dbraw/zinc/50/19/14/861501914.db2.gz XXWPUEYJFLXLIQ-SFHVURJKSA-N 1 1 397.475 3.533 20 5 GHBDMO COc1cc(C[NH+]2CCC(c3ncc(C)s3)CC2)c([N+](=O)[O-])cc1OC ZINC000433023172 844990747 /nfs/dbraw/zinc/99/07/47/844990747.db2.gz ZXUJBICAEKZECN-UHFFFAOYSA-N 1 1 377.466 3.757 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000599679741 861519779 /nfs/dbraw/zinc/51/97/79/861519779.db2.gz OEJUOBIRKPKJKR-OAHLLOKOSA-N 1 1 387.411 3.561 20 5 GHBDMO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1cccc(Cl)c1 ZINC000604012187 861575305 /nfs/dbraw/zinc/57/53/05/861575305.db2.gz JAPIAGOQVNJILE-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1cccc(Cl)c1 ZINC000604012187 861575321 /nfs/dbraw/zinc/57/53/21/861575321.db2.gz JAPIAGOQVNJILE-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO CCN1CCC[C@@H](C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016678 845731685 /nfs/dbraw/zinc/73/16/85/845731685.db2.gz IZBYQJOVFZIZFS-UBFYYYKXSA-N 1 1 397.523 3.747 20 5 GHBDMO CC[N@@H+]1CCC[C@@H](CN(C)C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016678 845731695 /nfs/dbraw/zinc/73/16/95/845731695.db2.gz IZBYQJOVFZIZFS-UBFYYYKXSA-N 1 1 397.523 3.747 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CN(C)C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016678 845731706 /nfs/dbraw/zinc/73/17/06/845731706.db2.gz IZBYQJOVFZIZFS-UBFYYYKXSA-N 1 1 397.523 3.747 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000071954821 845975451 /nfs/dbraw/zinc/97/54/51/845975451.db2.gz MCQCYLWQWNNBPN-OAHLLOKOSA-N 1 1 382.464 3.538 20 5 GHBDMO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059423 846149181 /nfs/dbraw/zinc/14/91/81/846149181.db2.gz LSFHDHMCQHKZLY-GFCCVEGCSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059423 846149188 /nfs/dbraw/zinc/14/91/88/846149188.db2.gz LSFHDHMCQHKZLY-GFCCVEGCSA-N 1 1 379.819 3.889 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@]23CCOC3)cc1 ZINC000421401590 846194915 /nfs/dbraw/zinc/19/49/15/846194915.db2.gz ULNBGWHKOANOGZ-JOCHJYFZSA-N 1 1 390.443 3.812 20 5 GHBDMO Cc1c(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000051406894 846196423 /nfs/dbraw/zinc/19/64/23/846196423.db2.gz OEPPGLAICHQTGM-UHFFFAOYSA-N 1 1 379.460 3.960 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000151168039 846243288 /nfs/dbraw/zinc/24/32/88/846243288.db2.gz ZSOJDHSQZXTTCV-QGZVFWFLSA-N 1 1 388.512 3.510 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000072032882 846253079 /nfs/dbraw/zinc/25/30/79/846253079.db2.gz DITXTZRAENBOFO-UHFFFAOYSA-N 1 1 388.786 3.811 20 5 GHBDMO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000582271628 846768037 /nfs/dbraw/zinc/76/80/37/846768037.db2.gz HKFJEHAZJBAZNN-FQEVSTJZSA-N 1 1 395.459 3.565 20 5 GHBDMO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000582271628 846768044 /nfs/dbraw/zinc/76/80/44/846768044.db2.gz HKFJEHAZJBAZNN-FQEVSTJZSA-N 1 1 395.459 3.565 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000419808584 846837761 /nfs/dbraw/zinc/83/77/61/846837761.db2.gz CITCBRSTAZCDNP-VXGBXAGGSA-N 1 1 380.338 3.915 20 5 GHBDMO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1Cl ZINC000183779427 847068511 /nfs/dbraw/zinc/06/85/11/847068511.db2.gz WBMBSNITCPDDFZ-NSHDSACASA-N 1 1 377.803 3.627 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127561489 847072490 /nfs/dbraw/zinc/07/24/90/847072490.db2.gz UQTVIZSPQBAGIY-GOSISDBHSA-N 1 1 378.375 3.812 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127561489 847072495 /nfs/dbraw/zinc/07/24/95/847072495.db2.gz UQTVIZSPQBAGIY-GOSISDBHSA-N 1 1 378.375 3.812 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(C)(CO)CC2)cc1OC ZINC000545882136 847148532 /nfs/dbraw/zinc/14/85/32/847148532.db2.gz XDIIKKPXRARVST-OAHLLOKOSA-N 1 1 380.485 3.623 20 5 GHBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000599832786 861761289 /nfs/dbraw/zinc/76/12/89/861761289.db2.gz JTFKSTIWWXFWSN-LSDHHAIUSA-N 1 1 397.479 3.918 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835688 861770147 /nfs/dbraw/zinc/77/01/47/861770147.db2.gz MZQKVLIEYDGAPA-UHFFFAOYSA-N 1 1 397.435 3.722 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000303588921 861802264 /nfs/dbraw/zinc/80/22/64/861802264.db2.gz LYPYHDJXQBFMAZ-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000420940005 847559141 /nfs/dbraw/zinc/55/91/41/847559141.db2.gz CQMAYZJKJDRRKU-LBPRGKRZSA-N 1 1 389.374 3.596 20 5 GHBDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000421035998 847636282 /nfs/dbraw/zinc/63/62/82/847636282.db2.gz ZSYJSGQGTLMUFV-QWHCGFSZSA-N 1 1 375.425 3.536 20 5 GHBDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000421035998 847636285 /nfs/dbraw/zinc/63/62/85/847636285.db2.gz ZSYJSGQGTLMUFV-QWHCGFSZSA-N 1 1 375.425 3.536 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000162567265 861826547 /nfs/dbraw/zinc/82/65/47/861826547.db2.gz DCJUHQXQRRXRSA-UHFFFAOYSA-N 1 1 386.496 3.718 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000421190443 847833987 /nfs/dbraw/zinc/83/39/87/847833987.db2.gz QTGINGGBXYTSIR-UHFFFAOYSA-N 1 1 393.390 3.641 20 5 GHBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000472234863 847838845 /nfs/dbraw/zinc/83/88/45/847838845.db2.gz UBGNDLCWZUGFHL-CQSZACIVSA-N 1 1 397.298 3.723 20 5 GHBDMO C[C@@H](c1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c1)[NH+]1CCOCC1 ZINC000611706483 848032142 /nfs/dbraw/zinc/03/21/42/848032142.db2.gz MOEVPKZUPZNSHC-AWEZNQCLSA-N 1 1 379.420 3.675 20 5 GHBDMO Cc1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(N2CCCC2)[nH+]1 ZINC000611597273 848172736 /nfs/dbraw/zinc/17/27/36/848172736.db2.gz VPYZXFXNRXVSGE-UHFFFAOYSA-N 1 1 383.452 3.837 20 5 GHBDMO COc1cccc(CC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000612123123 848479721 /nfs/dbraw/zinc/47/97/21/848479721.db2.gz LCIPVFLGLXQNRY-INIZCTEOSA-N 1 1 397.475 3.885 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1[N+](=O)[O-] ZINC000612132004 848495620 /nfs/dbraw/zinc/49/56/20/848495620.db2.gz LGKAIHJFPFOVID-LSTHTHJFSA-N 1 1 397.450 3.764 20 5 GHBDMO COCC[N@@H+](C)CC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000583451281 849921332 /nfs/dbraw/zinc/92/13/32/849921332.db2.gz PYHVCOCWDSIGIO-SFTDATJTSA-N 1 1 383.492 3.881 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000132464784 862086164 /nfs/dbraw/zinc/08/61/64/862086164.db2.gz CWEUFONKXPEAAI-RDJZCZTQSA-N 1 1 385.439 3.859 20 5 GHBDMO CNC(=O)c1ccc(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000425282577 850105303 /nfs/dbraw/zinc/10/53/03/850105303.db2.gz NQCOKCALTWJFGK-KRWDZBQOSA-N 1 1 385.489 3.711 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000439775542 850380339 /nfs/dbraw/zinc/38/03/39/850380339.db2.gz OJPDMCQGKMSAJZ-OAQYLSRUSA-N 1 1 388.464 3.775 20 5 GHBDMO COc1cc(C[N@@H+](CCO)C2CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000439786958 850428140 /nfs/dbraw/zinc/42/81/40/850428140.db2.gz JLMPSEGELFTUOP-UHFFFAOYSA-N 1 1 386.448 3.529 20 5 GHBDMO C[C@@H]([NH3+])[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435381039 850446524 /nfs/dbraw/zinc/44/65/24/850446524.db2.gz UTMRAXUWASILQJ-AEFFLSMTSA-N 1 1 391.475 3.617 20 5 GHBDMO COCC[N@@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426510689 850487605 /nfs/dbraw/zinc/48/76/05/850487605.db2.gz WQFFOKSSLWDLTK-IBGZPJMESA-N 1 1 385.464 3.600 20 5 GHBDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000435651730 850740678 /nfs/dbraw/zinc/74/06/78/850740678.db2.gz XDUXPXGWJMSWHO-UHFFFAOYSA-N 1 1 392.459 3.955 20 5 GHBDMO C[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000732263530 862178559 /nfs/dbraw/zinc/17/85/59/862178559.db2.gz FULUSMJJBDVTCB-CQSZACIVSA-N 1 1 387.867 3.653 20 5 GHBDMO C[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000732263530 862178566 /nfs/dbraw/zinc/17/85/66/862178566.db2.gz FULUSMJJBDVTCB-CQSZACIVSA-N 1 1 387.867 3.653 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000543506613 862190145 /nfs/dbraw/zinc/19/01/45/862190145.db2.gz ZMJGOQHBBOAYOH-LLVKDONJSA-N 1 1 384.383 3.833 20 5 GHBDMO COc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000543885553 851027100 /nfs/dbraw/zinc/02/71/00/851027100.db2.gz VYLBPRMNEJCZJI-UHFFFAOYSA-N 1 1 398.463 3.732 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)sc2C1 ZINC000425075060 851047563 /nfs/dbraw/zinc/04/75/63/851047563.db2.gz COTRLLYFONVWLB-UHFFFAOYSA-N 1 1 378.429 3.599 20 5 GHBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2N1 ZINC000604472653 862214957 /nfs/dbraw/zinc/21/49/57/862214957.db2.gz ZDTSHUCBGKICBY-QGZVFWFLSA-N 1 1 394.475 3.804 20 5 GHBDMO O=C(NC1CC1)c1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000514084107 851221629 /nfs/dbraw/zinc/22/16/29/851221629.db2.gz OMONOSMVTKKLMQ-IBGZPJMESA-N 1 1 394.475 3.564 20 5 GHBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000604482408 862223044 /nfs/dbraw/zinc/22/30/44/862223044.db2.gz FBRXOLKIKGHSSM-UHFFFAOYSA-N 1 1 399.878 3.911 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOc4c(F)cccc4C3)o2)c1 ZINC000434615904 851352640 /nfs/dbraw/zinc/35/26/40/851352640.db2.gz NZDMXBRQOOMILW-UHFFFAOYSA-N 1 1 383.379 3.826 20 5 GHBDMO CCc1ccc(-c2noc([C@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000543541675 851663511 /nfs/dbraw/zinc/66/35/11/851663511.db2.gz ICFICSKPKGUZQK-AWEZNQCLSA-N 1 1 382.420 3.937 20 5 GHBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@H+](C2CCC2)C1 ZINC000488750755 851750791 /nfs/dbraw/zinc/75/07/91/851750791.db2.gz LEGZFFHTLFTOMZ-QGZVFWFLSA-N 1 1 396.491 3.879 20 5 GHBDMO CCCc1[nH]nc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1[N+](=O)[O-] ZINC000517619464 852178843 /nfs/dbraw/zinc/17/88/43/852178843.db2.gz HULMJQKNBVLONA-AWEZNQCLSA-N 1 1 385.468 3.897 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489342057 852245015 /nfs/dbraw/zinc/24/50/15/852245015.db2.gz VOPOOVMZWIOKBJ-GDBMZVCRSA-N 1 1 376.501 3.774 20 5 GHBDMO CC(=O)c1cc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000516220900 852280912 /nfs/dbraw/zinc/28/09/12/852280912.db2.gz FPEXOCHWYFKZNM-HNNXBMFYSA-N 1 1 383.448 3.630 20 5 GHBDMO CC(=O)c1cc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000516220900 852280928 /nfs/dbraw/zinc/28/09/28/852280928.db2.gz FPEXOCHWYFKZNM-HNNXBMFYSA-N 1 1 383.448 3.630 20 5 GHBDMO CC(C)(C)[N@H+]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000732567719 862361616 /nfs/dbraw/zinc/36/16/16/862361616.db2.gz ABQPVCFVKUYTTB-UHFFFAOYSA-N 1 1 390.362 3.832 20 5 GHBDMO Cc1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000507101857 852559688 /nfs/dbraw/zinc/55/96/88/852559688.db2.gz JLUNHZOPRJQASU-UHFFFAOYSA-N 1 1 381.476 3.684 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489766876 852594727 /nfs/dbraw/zinc/59/47/27/852594727.db2.gz CNTBNFXFPMPWQB-GFCCVEGCSA-N 1 1 398.385 3.735 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489771551 852598630 /nfs/dbraw/zinc/59/86/30/852598630.db2.gz HQXCTHRUKVVMKN-ZDUSSCGKSA-N 1 1 398.385 3.735 20 5 GHBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044325494 852698998 /nfs/dbraw/zinc/69/89/98/852698998.db2.gz ASKXVZFXXQYDIV-HNNXBMFYSA-N 1 1 379.869 3.877 20 5 GHBDMO O=C(CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCc1ccccc1Cl ZINC000490422912 853007928 /nfs/dbraw/zinc/00/79/28/853007928.db2.gz ZJLYCQGSDQHPCB-UHFFFAOYSA-N 1 1 387.867 3.919 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000490434609 853027850 /nfs/dbraw/zinc/02/78/50/853027850.db2.gz XTPYOYCCVYAYAX-KUHUBIRLSA-N 1 1 397.500 3.959 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000295133755 853130065 /nfs/dbraw/zinc/13/00/65/853130065.db2.gz YNWFDNPPKBDPSM-UHFFFAOYSA-N 1 1 377.269 3.900 20 5 GHBDMO O=C(CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1ccccc1Cl ZINC000490832006 853280002 /nfs/dbraw/zinc/28/00/02/853280002.db2.gz ZVSWDCRVSCGJPO-UHFFFAOYSA-N 1 1 387.867 3.919 20 5 GHBDMO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490808658 853283877 /nfs/dbraw/zinc/28/38/77/853283877.db2.gz CPMIQSQVFXJCIT-DOTOQJQBSA-N 1 1 392.459 3.717 20 5 GHBDMO CNc1ccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1[N+](=O)[O-] ZINC000029634507 853318355 /nfs/dbraw/zinc/31/83/55/853318355.db2.gz FCMRTTOZLBRZRZ-UHFFFAOYSA-N 1 1 389.481 3.721 20 5 GHBDMO C[C@@H]1[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000490964652 853375446 /nfs/dbraw/zinc/37/54/46/853375446.db2.gz BVHNCRHRGUGZHE-APWZRJJASA-N 1 1 396.491 3.792 20 5 GHBDMO COc1cc(C[N@H+](C)CCOc2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000506154040 853625786 /nfs/dbraw/zinc/62/57/86/853625786.db2.gz VSENZJWJDZBNAB-UHFFFAOYSA-N 1 1 380.828 3.776 20 5 GHBDMO COc1cc(C[N@@H+](C)CCOc2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000506154040 853625789 /nfs/dbraw/zinc/62/57/89/853625789.db2.gz VSENZJWJDZBNAB-UHFFFAOYSA-N 1 1 380.828 3.776 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000294010842 853794358 /nfs/dbraw/zinc/79/43/58/853794358.db2.gz GQUQROWRBOZSDN-MRXNPFEDSA-N 1 1 381.354 3.800 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000294010842 853794361 /nfs/dbraw/zinc/79/43/61/853794361.db2.gz GQUQROWRBOZSDN-MRXNPFEDSA-N 1 1 381.354 3.800 20 5 GHBDMO O=C(c1ccccc1)c1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000045026686 854154007 /nfs/dbraw/zinc/15/40/07/854154007.db2.gz OSXJYHCEAPKIMX-UHFFFAOYSA-N 1 1 379.460 3.890 20 5 GHBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000056398708 854702791 /nfs/dbraw/zinc/70/27/91/854702791.db2.gz MYFJVVCJBOCADY-UHFFFAOYSA-N 1 1 396.422 3.563 20 5 GHBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000056398708 854702802 /nfs/dbraw/zinc/70/28/02/854702802.db2.gz MYFJVVCJBOCADY-UHFFFAOYSA-N 1 1 396.422 3.563 20 5 GHBDMO CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248375361 854711899 /nfs/dbraw/zinc/71/18/99/854711899.db2.gz WQBVLAZMSAUXDH-IEBWSBKVSA-N 1 1 386.448 3.570 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589335173 854796297 /nfs/dbraw/zinc/79/62/97/854796297.db2.gz NAUSJCRSZPBZRI-RTBURBONSA-N 1 1 394.475 3.889 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000589375740 854814608 /nfs/dbraw/zinc/81/46/08/854814608.db2.gz LHDDZQJHWHUSPS-LJQANCHMSA-N 1 1 382.464 3.895 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301452915 854836090 /nfs/dbraw/zinc/83/60/90/854836090.db2.gz XYDYGPKQDYCSKN-XIKOKIGWSA-N 1 1 399.476 3.800 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542714081 855527869 /nfs/dbraw/zinc/52/78/69/855527869.db2.gz PCRPCCYYVXWFOL-HUUCEWRRSA-N 1 1 386.427 3.861 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])[C@H](C)C2)cc1 ZINC000441550158 855610401 /nfs/dbraw/zinc/61/04/01/855610401.db2.gz YUEVOLBDVHBCGB-HZPDHXFCSA-N 1 1 383.448 3.653 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])[C@H](C)C2)cc1 ZINC000441550158 855610405 /nfs/dbraw/zinc/61/04/05/855610405.db2.gz YUEVOLBDVHBCGB-HZPDHXFCSA-N 1 1 383.448 3.653 20 5 GHBDMO Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c(N2CCCC2)[nH+]1 ZINC000591075142 855767635 /nfs/dbraw/zinc/76/76/35/855767635.db2.gz PFOZZSPYKKJVQX-UHFFFAOYSA-N 1 1 398.463 3.616 20 5 GHBDMO CCc1ccc([C@@H]([NH2+]C[C@H](CO)c2cccnc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000554075263 855775470 /nfs/dbraw/zinc/77/54/70/855775470.db2.gz VLIMSCXJIFSTQF-UTKZUKDTSA-N 1 1 381.432 3.600 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000554641606 855930314 /nfs/dbraw/zinc/93/03/14/855930314.db2.gz LNFGVBLNOBXONT-UCNVEGJOSA-N 1 1 395.503 3.943 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCOCC2)c2ccncc21 ZINC000018061426 855955539 /nfs/dbraw/zinc/95/55/39/855955539.db2.gz MQZWYZOWHWTPEF-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000784012584 856202386 /nfs/dbraw/zinc/20/23/86/856202386.db2.gz SJUTXBSUJSTTJP-MGPUTAFESA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000784012584 856202398 /nfs/dbraw/zinc/20/23/98/856202398.db2.gz SJUTXBSUJSTTJP-MGPUTAFESA-N 1 1 393.447 3.903 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCCC[C@H]3O)n2)c1 ZINC000280991855 862780841 /nfs/dbraw/zinc/78/08/41/862780841.db2.gz LWUVWIAKONEVHA-KZNAEPCWSA-N 1 1 386.452 3.550 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000482209440 862810762 /nfs/dbraw/zinc/81/07/62/862810762.db2.gz LBNAEDUNPBJKPX-TWOQFEAHSA-N 1 1 382.464 3.618 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOc1ccc(F)cc1)[C@H]1CC[C@H](O)CC1 ZINC000592130711 856669267 /nfs/dbraw/zinc/66/92/67/856669267.db2.gz JTMZOHNTKRJHJS-WGSAOQKQSA-N 1 1 388.439 3.918 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CCC2)c2c(c1)COCO2 ZINC000592139298 856687221 /nfs/dbraw/zinc/68/72/21/856687221.db2.gz UFMHIHDIDFNLDK-OAQYLSRUSA-N 1 1 398.459 3.625 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+](Cc2ccc(C)nc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000592146405 856703099 /nfs/dbraw/zinc/70/30/99/856703099.db2.gz OPKQWIHQUCAEGU-UHFFFAOYSA-N 1 1 398.463 3.548 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000173373951 856895447 /nfs/dbraw/zinc/89/54/47/856895447.db2.gz UKOJBDFCEUKCHF-UHFFFAOYSA-N 1 1 397.475 3.771 20 5 GHBDMO COc1cccc([C@H]2[C@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000245543469 856947503 /nfs/dbraw/zinc/94/75/03/856947503.db2.gz KTKGYEUBMIORGN-CTNGQTDRSA-N 1 1 395.459 3.620 20 5 GHBDMO COc1cc(C[N@@H+](CCO)CC2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000485726394 856978571 /nfs/dbraw/zinc/97/85/71/856978571.db2.gz PXYOMHRKTGTTCO-UHFFFAOYSA-N 1 1 388.411 3.579 20 5 GHBDMO CC(C)N(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592694874 857028048 /nfs/dbraw/zinc/02/80/48/857028048.db2.gz OJOGJYWWYARHBC-FQEVSTJZSA-N 1 1 381.476 3.649 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482269798 862869385 /nfs/dbraw/zinc/86/93/85/862869385.db2.gz RVLNEOIVQTWTKM-IBGZPJMESA-N 1 1 399.516 3.714 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000173693164 857091397 /nfs/dbraw/zinc/09/13/97/857091397.db2.gz XASZVGBPDMPEAE-HNNXBMFYSA-N 1 1 385.464 3.803 20 5 GHBDMO C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000245720175 857135939 /nfs/dbraw/zinc/13/59/39/857135939.db2.gz QYCJAEQHXNESDS-FZKQIMNGSA-N 1 1 391.830 3.810 20 5 GHBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000245720175 857135944 /nfs/dbraw/zinc/13/59/44/857135944.db2.gz QYCJAEQHXNESDS-FZKQIMNGSA-N 1 1 391.830 3.810 20 5 GHBDMO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000766109428 857181281 /nfs/dbraw/zinc/18/12/81/857181281.db2.gz SVMZKJDFPSOGCQ-HNNXBMFYSA-N 1 1 395.475 3.651 20 5 GHBDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000766109428 857181289 /nfs/dbraw/zinc/18/12/89/857181289.db2.gz SVMZKJDFPSOGCQ-HNNXBMFYSA-N 1 1 395.475 3.651 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000174004811 857196672 /nfs/dbraw/zinc/19/66/72/857196672.db2.gz APDKUWJPWXPSTE-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000174004811 857196677 /nfs/dbraw/zinc/19/66/77/857196677.db2.gz APDKUWJPWXPSTE-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000141722179 857329391 /nfs/dbraw/zinc/32/93/91/857329391.db2.gz MINNZIDQFLBCSS-UHFFFAOYSA-N 1 1 382.464 3.551 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246309333 857344785 /nfs/dbraw/zinc/34/47/85/857344785.db2.gz FYKGZJOUPDIARG-KZNAEPCWSA-N 1 1 388.512 3.508 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000175082622 857436637 /nfs/dbraw/zinc/43/66/37/857436637.db2.gz PQEQVGQFWUNXQJ-MRXNPFEDSA-N 1 1 399.495 3.691 20 5 GHBDMO COc1cc(CNc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000486191124 857513538 /nfs/dbraw/zinc/51/35/38/857513538.db2.gz BSSYPPDRSCVHGY-HOTGVXAUSA-N 1 1 385.464 3.825 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNc2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301750792 857549335 /nfs/dbraw/zinc/54/93/35/857549335.db2.gz UNMNBAFYLLJADV-OKILXGFUSA-N 1 1 390.871 3.865 20 5 GHBDMO O=C(NC1CC1)c1ccc(C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000065533096 857652931 /nfs/dbraw/zinc/65/29/31/857652931.db2.gz HUZUOOCPNPPYOS-UHFFFAOYSA-N 1 1 395.459 3.530 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000486420833 857719887 /nfs/dbraw/zinc/71/98/87/857719887.db2.gz ATPJUEKUBGSXBC-MAUKXSAKSA-N 1 1 399.516 3.957 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159784046 862991694 /nfs/dbraw/zinc/99/16/94/862991694.db2.gz CVEPUGPGCIVWEJ-YYWHXJBOSA-N 1 1 397.475 3.676 20 5 GHBDMO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594523132 858209646 /nfs/dbraw/zinc/20/96/46/858209646.db2.gz NZCBEZWAERULMA-AWEZNQCLSA-N 1 1 380.347 3.818 20 5 GHBDMO COc1cc(-c2nc(CCCCn3c[nH+]c(C)c3C)no2)c([N+](=O)[O-])cc1F ZINC000594534069 858212843 /nfs/dbraw/zinc/21/28/43/858212843.db2.gz GWJDKSVJMILNQD-UHFFFAOYSA-N 1 1 389.387 3.629 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000595022281 858354245 /nfs/dbraw/zinc/35/42/45/858354245.db2.gz UHTIHKGLAIPEEU-CRAIPNDOSA-N 1 1 386.448 3.930 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000595022816 858354737 /nfs/dbraw/zinc/35/47/37/858354737.db2.gz OJSDSLRVKLDHFK-HZPDHXFCSA-N 1 1 384.480 3.875 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc1nccs1 ZINC000595024557 858355121 /nfs/dbraw/zinc/35/51/21/858355121.db2.gz AKMPZOJJWZHWEC-SWLSCSKDSA-N 1 1 392.481 3.764 20 5 GHBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595041253 858376958 /nfs/dbraw/zinc/37/69/58/858376958.db2.gz DDMXMTPFJYLGFL-KBPBESRZSA-N 1 1 392.477 3.809 20 5 GHBDMO CCN1CC[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595473332 858541193 /nfs/dbraw/zinc/54/11/93/858541193.db2.gz ASSNEQXDBUSQPE-PBHICJAKSA-N 1 1 382.823 3.609 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115553822 858566263 /nfs/dbraw/zinc/56/62/63/858566263.db2.gz LPHASPQSZCCUMZ-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)c1 ZINC000575116312 858569710 /nfs/dbraw/zinc/56/97/10/858569710.db2.gz WQJSFNXDMSLKKZ-KRWDZBQOSA-N 1 1 391.880 3.757 20 5 GHBDMO CCCC[N@H+]1Cc2cccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000067453075 858573039 /nfs/dbraw/zinc/57/30/39/858573039.db2.gz OQUBTJRDQGDUHL-NRFANRHFSA-N 1 1 394.475 3.928 20 5 GHBDMO C[C@@H]1[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000575084828 858578810 /nfs/dbraw/zinc/57/88/10/858578810.db2.gz IEYITKUKWHNLHQ-OXQOHEQNSA-N 1 1 396.491 3.792 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000067646715 858646306 /nfs/dbraw/zinc/64/63/06/858646306.db2.gz RVDLBBSTUWCSBV-ZDUSSCGKSA-N 1 1 397.410 3.788 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000595766839 858664274 /nfs/dbraw/zinc/66/42/74/858664274.db2.gz LPYKIGKATBIGJE-OAQYLSRUSA-N 1 1 383.448 3.514 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000595766839 858664275 /nfs/dbraw/zinc/66/42/75/858664275.db2.gz LPYKIGKATBIGJE-OAQYLSRUSA-N 1 1 383.448 3.514 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000595752506 858675431 /nfs/dbraw/zinc/67/54/31/858675431.db2.gz LRZLKQHRDLBXBJ-KRWDZBQOSA-N 1 1 387.411 3.908 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595833895 858703321 /nfs/dbraw/zinc/70/33/21/858703321.db2.gz SSEYMGOSLOACPG-WFXMLNOXSA-N 1 1 395.459 3.551 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595833895 858703323 /nfs/dbraw/zinc/70/33/23/858703323.db2.gz SSEYMGOSLOACPG-WFXMLNOXSA-N 1 1 395.459 3.551 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CCOCCF)c1ccccc1 ZINC000596051854 858757580 /nfs/dbraw/zinc/75/75/80/858757580.db2.gz PRJSOJLOTNDPCQ-KRWDZBQOSA-N 1 1 395.818 3.504 20 5 GHBDMO O=[N+]([O-])c1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1C(F)(F)F ZINC000596188924 858803134 /nfs/dbraw/zinc/80/31/34/858803134.db2.gz DVOWJSHJPKVOLM-MRXNPFEDSA-N 1 1 395.381 3.792 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)ccn1 ZINC000856535456 881345953 /nfs/dbraw/zinc/34/59/53/881345953.db2.gz ZFKGVEUBFQVNDA-KRWDZBQOSA-N 1 1 388.443 3.627 20 5 GHBDMO CCC[N@@H+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(Cl)cc1 ZINC000596232886 858823200 /nfs/dbraw/zinc/82/32/00/858823200.db2.gz GWEKBQNOYDMQHT-GOSISDBHSA-N 1 1 390.871 3.842 20 5 GHBDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000121107039 858864625 /nfs/dbraw/zinc/86/46/25/858864625.db2.gz KPFHCPJUYIVZIH-ZBFHGGJFSA-N 1 1 393.509 3.916 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000543249273 859036162 /nfs/dbraw/zinc/03/61/62/859036162.db2.gz GONZGYQMGOUEJG-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483106378 859141652 /nfs/dbraw/zinc/14/16/52/859141652.db2.gz OFPIKBKXFWHTMZ-HNNXBMFYSA-N 1 1 387.411 3.561 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483106378 859141655 /nfs/dbraw/zinc/14/16/55/859141655.db2.gz OFPIKBKXFWHTMZ-HNNXBMFYSA-N 1 1 387.411 3.561 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483123176 859163348 /nfs/dbraw/zinc/16/33/48/859163348.db2.gz YGRWXKSDTYTWGS-HIFRSBDPSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483123176 859163355 /nfs/dbraw/zinc/16/33/55/859163355.db2.gz YGRWXKSDTYTWGS-HIFRSBDPSA-N 1 1 387.411 3.559 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000596953793 859193078 /nfs/dbraw/zinc/19/30/78/859193078.db2.gz CWYRKDFAWYCSDQ-OAQYLSRUSA-N 1 1 396.491 3.789 20 5 GHBDMO C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249298703 859295072 /nfs/dbraw/zinc/29/50/72/859295072.db2.gz CJBLXXVZVXMYKR-UKRRQHHQSA-N 1 1 387.461 3.637 20 5 GHBDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249298703 859295084 /nfs/dbraw/zinc/29/50/84/859295084.db2.gz CJBLXXVZVXMYKR-UKRRQHHQSA-N 1 1 387.461 3.637 20 5 GHBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000597204654 859360341 /nfs/dbraw/zinc/36/03/41/859360341.db2.gz CEZYVLYTRAXCRB-MAUKXSAKSA-N 1 1 399.422 3.627 20 5 GHBDMO C[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000597204908 859361450 /nfs/dbraw/zinc/36/14/50/859361450.db2.gz HACLOBWXNUGDID-OAHLLOKOSA-N 1 1 392.839 3.888 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597228265 859363265 /nfs/dbraw/zinc/36/32/65/859363265.db2.gz LAVGGGYFOKPRCW-HXUWFJFHSA-N 1 1 378.432 3.649 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597231171 859366428 /nfs/dbraw/zinc/36/64/28/859366428.db2.gz NYZJHWXGFPHSGV-OALUTQOASA-N 1 1 398.459 3.651 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597224318 859376008 /nfs/dbraw/zinc/37/60/08/859376008.db2.gz FMNJOHOGWHTHMH-YLJYHZDGSA-N 1 1 384.480 3.776 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000760599153 859532959 /nfs/dbraw/zinc/53/29/59/859532959.db2.gz LNXJXYAVJNZWOZ-BEFAXECRSA-N 1 1 385.439 3.683 20 5 GHBDMO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CCO2 ZINC000466451876 859562304 /nfs/dbraw/zinc/56/23/04/859562304.db2.gz BWFFMHLJEAYZJY-HNNXBMFYSA-N 1 1 380.347 3.818 20 5 GHBDMO Cc1cc(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)ccc1[N+](=O)[O-] ZINC000301968680 859562828 /nfs/dbraw/zinc/56/28/28/859562828.db2.gz YSTLJMXOBHRCDY-UHFFFAOYSA-N 1 1 399.882 3.917 20 5 GHBDMO Cc1cc(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)ccc1[N+](=O)[O-] ZINC000301968680 859562838 /nfs/dbraw/zinc/56/28/38/859562838.db2.gz YSTLJMXOBHRCDY-UHFFFAOYSA-N 1 1 399.882 3.917 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000176514193 881440068 /nfs/dbraw/zinc/44/00/68/881440068.db2.gz DMXLEQVUAWPZGJ-GJZGRUSLSA-N 1 1 379.888 3.975 20 5 GHBDMO COC(=O)CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000611170661 859633334 /nfs/dbraw/zinc/63/33/34/859633334.db2.gz UEKLICRVPNGKAM-UHFFFAOYSA-N 1 1 395.415 3.815 20 5 GHBDMO COC(=O)CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000611170661 859633335 /nfs/dbraw/zinc/63/33/35/859633335.db2.gz UEKLICRVPNGKAM-UHFFFAOYSA-N 1 1 395.415 3.815 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611212155 859645570 /nfs/dbraw/zinc/64/55/70/859645570.db2.gz VODSLUFAKLYMDV-ACJLOTCBSA-N 1 1 389.521 3.842 20 5 GHBDMO Cc1ccc(OC2CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cc1 ZINC000611257176 859668388 /nfs/dbraw/zinc/66/83/88/859668388.db2.gz WGAJOYKAVQMRDS-UHFFFAOYSA-N 1 1 384.432 3.718 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](n4ccnc4)C3)o2)c([N+](=O)[O-])c1 ZINC000611268160 859673795 /nfs/dbraw/zinc/67/37/95/859673795.db2.gz XGFAKYWGYDSLMF-OAHLLOKOSA-N 1 1 382.420 3.897 20 5 GHBDMO COc1ccc(C[N@H+]2CCCOC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611272427 859675629 /nfs/dbraw/zinc/67/56/29/859675629.db2.gz LUTNUTKKLFONLH-INIZCTEOSA-N 1 1 386.448 3.793 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552067334 859687171 /nfs/dbraw/zinc/68/71/71/859687171.db2.gz HDHLGKTYXYLGPD-MNLRITNHSA-N 1 1 392.459 3.755 20 5 GHBDMO Cc1nc(C[NH+]2CCC(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000597667104 859715304 /nfs/dbraw/zinc/71/53/04/859715304.db2.gz LSHOGVSNYHLJBV-UHFFFAOYSA-N 1 1 388.493 3.827 20 5 GHBDMO COc1ccc(C[C@@H](C)[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170346483 881469151 /nfs/dbraw/zinc/46/91/51/881469151.db2.gz NPXOIOASGLFVIQ-MRXNPFEDSA-N 1 1 397.475 3.559 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597861031 859876692 /nfs/dbraw/zinc/87/66/92/859876692.db2.gz RQXZVHCOAFNCOV-AWEZNQCLSA-N 1 1 379.526 3.947 20 5 GHBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000131335163 860019938 /nfs/dbraw/zinc/01/99/38/860019938.db2.gz VAKPPPXHOQUUAC-ZIAGYGMSSA-N 1 1 387.411 3.595 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602470465 860045633 /nfs/dbraw/zinc/04/56/33/860045633.db2.gz YYYTWPZUICZRCF-OAHLLOKOSA-N 1 1 382.468 3.639 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000727432678 860093473 /nfs/dbraw/zinc/09/34/73/860093473.db2.gz RVJKTJCQCWHHBY-UHFFFAOYSA-N 1 1 379.464 3.591 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)nc2c1 ZINC000602662103 860198638 /nfs/dbraw/zinc/19/86/38/860198638.db2.gz MDKHEPYXZKIRFM-ZHALLVOQSA-N 1 1 379.416 3.741 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1C ZINC000895992872 860224204 /nfs/dbraw/zinc/22/42/04/860224204.db2.gz ABKYRWIWAGHEJL-INIZCTEOSA-N 1 1 387.505 3.915 20 5 GHBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000598342729 860232223 /nfs/dbraw/zinc/23/22/23/860232223.db2.gz PQZROCFTMWKWTB-CQSZACIVSA-N 1 1 377.510 3.844 20 5 GHBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000093282281 860242132 /nfs/dbraw/zinc/24/21/32/860242132.db2.gz NPRAYRZHHONWAE-CYBMUJFWSA-N 1 1 399.438 3.571 20 5 GHBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000093282281 860242139 /nfs/dbraw/zinc/24/21/39/860242139.db2.gz NPRAYRZHHONWAE-CYBMUJFWSA-N 1 1 399.438 3.571 20 5 GHBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc([N+](=O)[O-])s1 ZINC000598396320 860279433 /nfs/dbraw/zinc/27/94/33/860279433.db2.gz KMKUNGUEBIKZSF-MRXNPFEDSA-N 1 1 385.489 3.688 20 5 GHBDMO Cc1sc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1[N+](=O)[O-] ZINC000598396583 860279519 /nfs/dbraw/zinc/27/95/19/860279519.db2.gz OJBSEUOWFAXZOR-KRWDZBQOSA-N 1 1 399.516 3.997 20 5 GHBDMO CCOc1cc(C[N@@H+](C)C2CCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000093475964 860281428 /nfs/dbraw/zinc/28/14/28/860281428.db2.gz PCRLMPFZNZPKKK-UHFFFAOYSA-N 1 1 388.468 3.562 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000155084644 860392876 /nfs/dbraw/zinc/39/28/76/860392876.db2.gz UGDOEQNEJFBPMY-KRWDZBQOSA-N 1 1 398.463 3.509 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H]2CCCn3nccc32)cc1OC ZINC000603029745 860438276 /nfs/dbraw/zinc/43/82/76/860438276.db2.gz NDCPKJFRMLWBQQ-HOCLYGCPSA-N 1 1 388.468 3.850 20 5 GHBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301308043 860446771 /nfs/dbraw/zinc/44/67/71/860446771.db2.gz WGVDCNUWJZQCCM-ZDUSSCGKSA-N 1 1 391.269 3.636 20 5 GHBDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000155563445 860544311 /nfs/dbraw/zinc/54/43/11/860544311.db2.gz FZTKHQYXLNCCHR-IBGZPJMESA-N 1 1 396.491 3.711 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761292958 860649657 /nfs/dbraw/zinc/64/96/57/860649657.db2.gz OCSJPQSNYFYYES-OAHLLOKOSA-N 1 1 388.468 3.654 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761292958 860649665 /nfs/dbraw/zinc/64/96/65/860649665.db2.gz OCSJPQSNYFYYES-OAHLLOKOSA-N 1 1 388.468 3.654 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599063795 860771140 /nfs/dbraw/zinc/77/11/40/860771140.db2.gz HVLCVYFUHGOMLK-UHFFFAOYSA-N 1 1 386.496 3.718 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000125872823 860806806 /nfs/dbraw/zinc/80/68/06/860806806.db2.gz OCTITHNBKUQWOI-UHFFFAOYSA-N 1 1 385.464 3.805 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000899509969 860949660 /nfs/dbraw/zinc/94/96/60/860949660.db2.gz RKGQEJDPHNOVES-UHFFFAOYSA-N 1 1 394.834 3.676 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000609194130 881615168 /nfs/dbraw/zinc/61/51/68/881615168.db2.gz QQEQIYGYRRZCIW-MRXNPFEDSA-N 1 1 391.512 3.755 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000482471297 863194543 /nfs/dbraw/zinc/19/45/43/863194543.db2.gz SMMDVXFINGGEAN-IBGZPJMESA-N 1 1 387.867 3.889 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[NH+]([C@H](CC)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001126575981 863530052 /nfs/dbraw/zinc/53/00/52/863530052.db2.gz JERVLFQWYGQESM-LJQANCHMSA-N 1 1 397.475 3.903 20 5 GHBDMO CC1CCC([N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCO2)CC1 ZINC000444211909 863673133 /nfs/dbraw/zinc/67/31/33/863673133.db2.gz JEAIZCZBZZMFPE-NLPFYKDJSA-N 1 1 389.496 3.617 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444236308 863731391 /nfs/dbraw/zinc/73/13/91/863731391.db2.gz HDXCUNAYYZJDKX-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444236308 863731402 /nfs/dbraw/zinc/73/14/02/863731402.db2.gz HDXCUNAYYZJDKX-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444295062 863829708 /nfs/dbraw/zinc/82/97/08/863829708.db2.gz XIFQAENUHKKXMQ-QGZVFWFLSA-N 1 1 399.494 3.932 20 5 GHBDMO CC[NH+](CC)[C@@H](C(=O)OCc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000766204677 863861927 /nfs/dbraw/zinc/86/19/27/863861927.db2.gz UVISEZSADRESLF-LJQANCHMSA-N 1 1 390.411 3.869 20 5 GHBDMO CC[NH+](CC)[C@H](C(=O)OCc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000766204673 863861975 /nfs/dbraw/zinc/86/19/75/863861975.db2.gz UVISEZSADRESLF-IBGZPJMESA-N 1 1 390.411 3.869 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000480080424 863980594 /nfs/dbraw/zinc/98/05/94/863980594.db2.gz LJKSXTLXYKOCDB-UHFFFAOYSA-N 1 1 383.496 3.612 20 5 GHBDMO Cc1c(CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480071673 863996826 /nfs/dbraw/zinc/99/68/26/863996826.db2.gz WNRQLLPIJJFILL-HXUWFJFHSA-N 1 1 396.491 3.709 20 5 GHBDMO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000475128501 864267706 /nfs/dbraw/zinc/26/77/06/864267706.db2.gz IKROHYRQUJPGMP-OXQOHEQNSA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n1)OC2 ZINC000520458241 881794557 /nfs/dbraw/zinc/79/45/57/881794557.db2.gz NKSDMZDCQPCZBK-CJNGLKHVSA-N 1 1 398.341 3.589 20 5 GHBDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735490361 864812432 /nfs/dbraw/zinc/81/24/32/864812432.db2.gz IDVVAYGHADHYRV-UHFFFAOYSA-N 1 1 379.888 3.909 20 5 GHBDMO COCc1ccc([C@H]2CCC[N@H+]2CCOc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000131109427 864983982 /nfs/dbraw/zinc/98/39/82/864983982.db2.gz VQCJCVIFULZDNW-MRXNPFEDSA-N 1 1 376.409 3.559 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000554870570 865065651 /nfs/dbraw/zinc/06/56/51/865065651.db2.gz ALXWPKUIUPFLSB-UHFFFAOYSA-N 1 1 397.475 3.560 20 5 GHBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000792951420 881842974 /nfs/dbraw/zinc/84/29/74/881842974.db2.gz VWHXIKCUWDWRHV-LBPRGKRZSA-N 1 1 382.869 3.893 20 5 GHBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)c2)C[C@@H](C)O1 ZINC000737600421 865403939 /nfs/dbraw/zinc/40/39/39/865403939.db2.gz SCIIZYVILJJGEP-ZIAGYGMSSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)C[C@@H](C)O1 ZINC000608870376 865770762 /nfs/dbraw/zinc/77/07/62/865770762.db2.gz CUZLWRVNKNSPRX-ZIAGYGMSSA-N 1 1 387.411 3.595 20 5 GHBDMO COc1cc(CN(C)CC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000173950678 865859044 /nfs/dbraw/zinc/85/90/44/865859044.db2.gz HZRLRBTZGPRVLZ-CQSZACIVSA-N 1 1 387.427 3.511 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000740772174 866001545 /nfs/dbraw/zinc/00/15/45/866001545.db2.gz SBSKLZIAZCRUBW-MRXNPFEDSA-N 1 1 384.505 3.888 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740882847 866073591 /nfs/dbraw/zinc/07/35/91/866073591.db2.gz LLYKJFDDSYYZOI-VHSSKADRSA-N 1 1 395.887 3.712 20 5 GHBDMO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000523096329 866117744 /nfs/dbraw/zinc/11/77/44/866117744.db2.gz GPYGVXTZIPIOFD-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1cc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000523096329 866117746 /nfs/dbraw/zinc/11/77/46/866117746.db2.gz GPYGVXTZIPIOFD-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO C[C@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185493367 866146847 /nfs/dbraw/zinc/14/68/47/866146847.db2.gz CASQXXWEOCVQKJ-ZOBUZTSGSA-N 1 1 385.439 3.617 20 5 GHBDMO C[C@H](C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCCCCC1 ZINC000741029124 866186360 /nfs/dbraw/zinc/18/63/60/866186360.db2.gz LHMVIHWNMRXSDU-KGLIPLIRSA-N 1 1 388.424 3.514 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000015988770 866351503 /nfs/dbraw/zinc/35/15/03/866351503.db2.gz KGCHPBGVMXDRDN-INIZCTEOSA-N 1 1 377.828 3.798 20 5 GHBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000475575304 866383843 /nfs/dbraw/zinc/38/38/43/866383843.db2.gz ZYOGPDCEUURPEO-CQSZACIVSA-N 1 1 390.411 3.869 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000475582454 866426554 /nfs/dbraw/zinc/42/65/54/866426554.db2.gz SWHIONJQVKSYLS-LBPRGKRZSA-N 1 1 394.374 3.618 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000475582454 866426558 /nfs/dbraw/zinc/42/65/58/866426558.db2.gz SWHIONJQVKSYLS-LBPRGKRZSA-N 1 1 394.374 3.618 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000183272561 866506443 /nfs/dbraw/zinc/50/64/43/866506443.db2.gz NMXIMXWCSJIIJW-UHFFFAOYSA-N 1 1 379.460 3.960 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000552957612 866553666 /nfs/dbraw/zinc/55/36/66/866553666.db2.gz COVUXNATBXOQCS-IYBDPMFKSA-N 1 1 396.491 3.784 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183548165 866850509 /nfs/dbraw/zinc/85/05/09/866850509.db2.gz SXWHUPSCHNGOIA-OAHLLOKOSA-N 1 1 383.452 3.543 20 5 GHBDMO CC(C)O[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000428369223 866904202 /nfs/dbraw/zinc/90/42/02/866904202.db2.gz HZTBBKLMBYVIDW-OAQYLSRUSA-N 1 1 397.475 3.519 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000444703919 867090403 /nfs/dbraw/zinc/09/04/03/867090403.db2.gz KMDIEOOGILJNNG-SECBINFHSA-N 1 1 384.301 3.979 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000444703919 867090422 /nfs/dbraw/zinc/09/04/22/867090422.db2.gz KMDIEOOGILJNNG-SECBINFHSA-N 1 1 384.301 3.979 20 5 GHBDMO C[C@@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000743036603 867769471 /nfs/dbraw/zinc/76/94/71/867769471.db2.gz NXXMAIJRPCLXQD-MRXNPFEDSA-N 1 1 384.505 3.888 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000743069244 867818053 /nfs/dbraw/zinc/81/80/53/867818053.db2.gz ZMXQZGGCWRQSFU-MRXNPFEDSA-N 1 1 388.855 3.986 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000534966298 867840904 /nfs/dbraw/zinc/84/09/04/867840904.db2.gz MGRRUNHBTXIYKV-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000743459629 868212086 /nfs/dbraw/zinc/21/20/86/868212086.db2.gz IXVSQAAYBGKIKI-KRWDZBQOSA-N 1 1 384.436 3.851 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000440719333 868223449 /nfs/dbraw/zinc/22/34/49/868223449.db2.gz XHYKQHQBSYTQFD-UHFFFAOYSA-N 1 1 377.485 3.638 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553818629 868246625 /nfs/dbraw/zinc/24/66/25/868246625.db2.gz BCDGMGAYTNEZIO-XLIONFOSSA-N 1 1 396.491 3.614 20 5 GHBDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000535210911 868355110 /nfs/dbraw/zinc/35/51/10/868355110.db2.gz KMFNPQABGSBHKM-GOSISDBHSA-N 1 1 380.448 3.796 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000487512268 868390797 /nfs/dbraw/zinc/39/07/97/868390797.db2.gz SSSNKNWIVAHINY-HNNXBMFYSA-N 1 1 387.505 3.957 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000524201448 868696643 /nfs/dbraw/zinc/69/66/43/868696643.db2.gz NCMRWTGDFNGGHA-GDBMZVCRSA-N 1 1 378.432 3.641 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000535467466 868807848 /nfs/dbraw/zinc/80/78/48/868807848.db2.gz DPCAHUNOUWHPBE-IRXDYDNUSA-N 1 1 393.365 3.789 20 5 GHBDMO COc1cc(C[N@H+]2CCS[C@H](C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000190689223 882243827 /nfs/dbraw/zinc/24/38/27/882243827.db2.gz SRRFFQJUIMMPOJ-LLVKDONJSA-N 1 1 394.415 3.872 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000535558982 868986368 /nfs/dbraw/zinc/98/63/68/868986368.db2.gz PSZUYUGJNJVJCT-CDXJDZJCSA-N 1 1 397.475 3.676 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000535558982 868986374 /nfs/dbraw/zinc/98/63/74/868986374.db2.gz PSZUYUGJNJVJCT-CDXJDZJCSA-N 1 1 397.475 3.676 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000793606386 882312894 /nfs/dbraw/zinc/31/28/94/882312894.db2.gz UFFMLJWEFCUPCR-FQEVSTJZSA-N 1 1 375.469 3.736 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000446249158 869606987 /nfs/dbraw/zinc/60/69/87/869606987.db2.gz QOGCMTDUBMZZTO-QGZVFWFLSA-N 1 1 397.475 3.887 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539697996 869626285 /nfs/dbraw/zinc/62/62/85/869626285.db2.gz IEQPYPSOQFVICN-WBVHZDCISA-N 1 1 394.834 3.669 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539697996 869626288 /nfs/dbraw/zinc/62/62/88/869626288.db2.gz IEQPYPSOQFVICN-WBVHZDCISA-N 1 1 394.834 3.669 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539701574 869644655 /nfs/dbraw/zinc/64/46/55/869644655.db2.gz DCFUEBYMBVAXEM-PBHICJAKSA-N 1 1 394.834 3.669 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539701574 869644664 /nfs/dbraw/zinc/64/46/64/869644664.db2.gz DCFUEBYMBVAXEM-PBHICJAKSA-N 1 1 394.834 3.669 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc([N+](=O)[O-])ccc1F ZINC000747137503 882358001 /nfs/dbraw/zinc/35/80/01/882358001.db2.gz VUMSZFQBFNSPHV-UHFFFAOYSA-N 1 1 375.425 3.535 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000441056589 870095442 /nfs/dbraw/zinc/09/54/42/870095442.db2.gz PCIJDJBXIVKRLG-MGPUTAFESA-N 1 1 383.448 3.556 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H](O)C2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462878189 870278095 /nfs/dbraw/zinc/27/80/95/870278095.db2.gz SQHCYCFQUHZFSX-HXUWFJFHSA-N 1 1 386.448 3.528 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000441112880 870375474 /nfs/dbraw/zinc/37/54/74/870375474.db2.gz DSEWECKXHUURPA-NRFANRHFSA-N 1 1 387.439 3.993 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000441112880 870375511 /nfs/dbraw/zinc/37/55/11/870375511.db2.gz DSEWECKXHUURPA-NRFANRHFSA-N 1 1 387.439 3.993 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(Br)c(F)c3)nc2c1 ZINC000446829817 870494799 /nfs/dbraw/zinc/49/47/99/870494799.db2.gz LSOCDQPCAPTLFF-UHFFFAOYSA-N 1 1 379.189 3.663 20 5 GHBDMO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446841075 870564565 /nfs/dbraw/zinc/56/45/65/870564565.db2.gz LVJWMBMNJDOJPL-UHFFFAOYSA-N 1 1 382.420 3.716 20 5 GHBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC000463006350 870649429 /nfs/dbraw/zinc/64/94/29/870649429.db2.gz BKZNQUQCMUBPLR-QGZVFWFLSA-N 1 1 396.491 3.934 20 5 GHBDMO COc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000195428179 882431898 /nfs/dbraw/zinc/43/18/98/882431898.db2.gz JYISFSRCNQKPFN-INIZCTEOSA-N 1 1 397.475 3.765 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001193094279 870904052 /nfs/dbraw/zinc/90/40/52/870904052.db2.gz PNLXDYZVKAPOJZ-OAQYLSRUSA-N 1 1 396.491 3.520 20 5 GHBDMO CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001193094279 870904064 /nfs/dbraw/zinc/90/40/64/870904064.db2.gz PNLXDYZVKAPOJZ-OAQYLSRUSA-N 1 1 396.491 3.520 20 5 GHBDMO CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001193094279 870904080 /nfs/dbraw/zinc/90/40/80/870904080.db2.gz PNLXDYZVKAPOJZ-OAQYLSRUSA-N 1 1 396.491 3.520 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000447097878 871019258 /nfs/dbraw/zinc/01/92/58/871019258.db2.gz FWHRHBMLYWNIMH-MRXNPFEDSA-N 1 1 386.448 3.518 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011919 871096043 /nfs/dbraw/zinc/09/60/43/871096043.db2.gz NJVAEXVENJLZNE-MBOZVWFJSA-N 1 1 381.517 3.687 20 5 GHBDMO COc1ccc([C@H](C[N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2(O)CCCCC2)cc1 ZINC001169040043 871119505 /nfs/dbraw/zinc/11/95/05/871119505.db2.gz XFINIGXVVWVYQZ-DSKINZAPSA-N 1 1 390.524 3.851 20 5 GHBDMO CC(C)(C)OC(=O)Nc1cccc2c1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169045857 871127547 /nfs/dbraw/zinc/12/75/47/871127547.db2.gz KCYBFQROSMOUQZ-GDBMZVCRSA-N 1 1 375.469 3.837 20 5 GHBDMO CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047594 871129351 /nfs/dbraw/zinc/12/93/51/871129351.db2.gz RKFAQGPYHVSMED-RSPOEFSDSA-N 1 1 392.471 3.805 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](c2cccs2)C1 ZINC001169047894 871130795 /nfs/dbraw/zinc/13/07/95/871130795.db2.gz SKKYZXGDDRZFHH-BZUAXINKSA-N 1 1 395.525 3.787 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](c2cccs2)C1 ZINC001169047894 871130802 /nfs/dbraw/zinc/13/08/02/871130802.db2.gz SKKYZXGDDRZFHH-BZUAXINKSA-N 1 1 395.525 3.787 20 5 GHBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000540402259 871185036 /nfs/dbraw/zinc/18/50/36/871185036.db2.gz GWTBVYAIHCMMHP-AWEZNQCLSA-N 1 1 384.411 3.897 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618284513 871467541 /nfs/dbraw/zinc/46/75/41/871467541.db2.gz OAKAPVQZYHGUNP-INIZCTEOSA-N 1 1 379.464 3.568 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540587278 871628699 /nfs/dbraw/zinc/62/86/99/871628699.db2.gz FQOTWOJEJKRZIR-SFHVURJKSA-N 1 1 397.475 3.588 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001194478782 871740431 /nfs/dbraw/zinc/74/04/31/871740431.db2.gz YJEUBBKIBFKXCV-MRXNPFEDSA-N 1 1 398.419 3.711 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+]([C@H]4CCc5ccccc54)CC3)nc2c1 ZINC000618754236 871952712 /nfs/dbraw/zinc/95/27/12/871952712.db2.gz AEQGXLIUFOSCJR-FQEVSTJZSA-N 1 1 377.448 3.671 20 5 GHBDMO CN(CCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000552051168 871982200 /nfs/dbraw/zinc/98/22/00/871982200.db2.gz LGFPCLNFKUQORR-HXUWFJFHSA-N 1 1 379.464 3.534 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001194899403 872019870 /nfs/dbraw/zinc/01/98/70/872019870.db2.gz RIZRFUDDSVSXSV-GDBMZVCRSA-N 1 1 393.484 3.586 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000540772096 872128152 /nfs/dbraw/zinc/12/81/52/872128152.db2.gz QVKXPWXPJGYLBM-ZBFHGGJFSA-N 1 1 377.510 3.796 20 5 GHBDMO COc1ncc(Br)cc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595422438 872131431 /nfs/dbraw/zinc/13/14/31/872131431.db2.gz YAJYCZSPXXGKOW-NSHDSACASA-N 1 1 380.242 3.920 20 5 GHBDMO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252698 872504174 /nfs/dbraw/zinc/50/41/74/872504174.db2.gz NMCURFXRZLTXNE-HKUYNNGSSA-N 1 1 398.438 3.597 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)ccc1Cl ZINC000767426240 872511560 /nfs/dbraw/zinc/51/15/60/872511560.db2.gz MZPXDMVHSGBVIV-AWEZNQCLSA-N 1 1 385.645 3.834 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1OC ZINC000541058624 872813547 /nfs/dbraw/zinc/81/35/47/872813547.db2.gz UIECJWQRUCFTAE-YESZJQIVSA-N 1 1 392.496 3.887 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000619638896 872823622 /nfs/dbraw/zinc/82/36/22/872823622.db2.gz CITOYCAMDXGPRR-GOSISDBHSA-N 1 1 398.463 3.732 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC000619716894 872917029 /nfs/dbraw/zinc/91/70/29/872917029.db2.gz ZPMSFOHNWQTPAF-UHFFFAOYSA-N 1 1 385.464 3.689 20 5 GHBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000478414932 872970354 /nfs/dbraw/zinc/97/03/54/872970354.db2.gz GCAUFBPOZRKXOV-CYBMUJFWSA-N 1 1 386.374 3.520 20 5 GHBDMO CCNc1ccc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000070854533 873018578 /nfs/dbraw/zinc/01/85/78/873018578.db2.gz DUECGNHFFWASIB-HNNXBMFYSA-N 1 1 398.463 3.672 20 5 GHBDMO C[N@H+](CCO)Cc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl ZINC000619867621 873111273 /nfs/dbraw/zinc/11/12/73/873111273.db2.gz ZNTUEVFGLFDJTP-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO C[N@@H+](CCO)Cc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl ZINC000619867621 873111284 /nfs/dbraw/zinc/11/12/84/873111284.db2.gz ZNTUEVFGLFDJTP-UHFFFAOYSA-N 1 1 398.246 3.578 20 5 GHBDMO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC(F)F ZINC000768153043 873115478 /nfs/dbraw/zinc/11/54/78/873115478.db2.gz YZFSHCNJZWESFS-UHFFFAOYSA-N 1 1 393.390 3.527 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000768200335 873137961 /nfs/dbraw/zinc/13/79/61/873137961.db2.gz MUISIHGCDMHOKD-UHFFFAOYSA-N 1 1 384.411 3.775 20 5 GHBDMO COc1cc(CNc2cccc([C@H](C)[NH+]3CCOCC3)c2)c([N+](=O)[O-])cc1F ZINC000464093376 873191417 /nfs/dbraw/zinc/19/14/17/873191417.db2.gz PCVOYOPWMFVDEV-AWEZNQCLSA-N 1 1 389.427 3.748 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448603707 873657316 /nfs/dbraw/zinc/65/73/16/873657316.db2.gz ALWGZXFEPAKAGT-HNNXBMFYSA-N 1 1 393.365 3.618 20 5 GHBDMO Cc1ccc(CN2CCC[N@@H+](Cc3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC001198140308 874229374 /nfs/dbraw/zinc/22/93/74/874229374.db2.gz DUQCUVHCGXAINW-UHFFFAOYSA-N 1 1 383.492 3.628 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000770005474 874396959 /nfs/dbraw/zinc/39/69/59/874396959.db2.gz DBABWCGNPBXADK-NSHDSACASA-N 1 1 394.884 3.878 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000770005474 874396974 /nfs/dbraw/zinc/39/69/74/874396974.db2.gz DBABWCGNPBXADK-NSHDSACASA-N 1 1 394.884 3.878 20 5 GHBDMO COc1ccc([C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000449220687 874610599 /nfs/dbraw/zinc/61/05/99/874610599.db2.gz QTHCRWPDPIPVON-FOIQADDNSA-N 1 1 380.448 3.647 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000770377600 874619184 /nfs/dbraw/zinc/61/91/84/874619184.db2.gz CFVKWUMKWFQMBH-ZKVFWIFDSA-N 1 1 375.469 3.986 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)s1 ZINC000449435221 874856087 /nfs/dbraw/zinc/85/60/87/874856087.db2.gz VIJYWAKEEYCPHM-SPYBWZPUSA-N 1 1 388.489 3.685 20 5 GHBDMO CO[C@@](C)(C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000449486104 874938091 /nfs/dbraw/zinc/93/80/91/874938091.db2.gz SPSNFTAAJPLAOG-FPOVZHCZSA-N 1 1 380.448 3.569 20 5 GHBDMO COC(=O)CCNC(=S)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001199997361 875274712 /nfs/dbraw/zinc/27/47/12/875274712.db2.gz ZLPZIXLWYJVXIR-UHFFFAOYSA-N 1 1 396.516 3.612 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000542352084 875440439 /nfs/dbraw/zinc/44/04/39/875440439.db2.gz HVRDCJDADAQJAT-CQSZACIVSA-N 1 1 397.928 3.531 20 5 GHBDMO Cc1[nH+]ccn1CCOC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000772039887 875627982 /nfs/dbraw/zinc/62/79/82/875627982.db2.gz ZZIFZGFXOSUXKX-UHFFFAOYSA-N 1 1 375.450 3.991 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000450183813 876064160 /nfs/dbraw/zinc/06/41/60/876064160.db2.gz AMDXKMOLZCZKLS-CYBMUJFWSA-N 1 1 387.402 3.711 20 5 GHBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@@H]2C1 ZINC000491974467 876071790 /nfs/dbraw/zinc/07/17/90/876071790.db2.gz BSKHQUJCQAGKSA-FOIQADDNSA-N 1 1 396.447 3.945 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 ZINC000776278294 876161838 /nfs/dbraw/zinc/16/18/38/876161838.db2.gz UHOAGWDVSUMSJK-NQBHXWOUSA-N 1 1 386.292 3.691 20 5 GHBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000609355456 883092262 /nfs/dbraw/zinc/09/22/62/883092262.db2.gz BSWWVFVGNBCGIG-TXEJJXNPSA-N 1 1 386.399 3.581 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000609974812 877234159 /nfs/dbraw/zinc/23/41/59/877234159.db2.gz AGDCXISGRSFZEH-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000609974812 877234172 /nfs/dbraw/zinc/23/41/72/877234172.db2.gz AGDCXISGRSFZEH-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000428717965 877335617 /nfs/dbraw/zinc/33/56/17/877335617.db2.gz LVJCFWWWZLNPBO-XLIONFOSSA-N 1 1 394.475 3.895 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)ccc1[N+](=O)[O-] ZINC000492781297 877536584 /nfs/dbraw/zinc/53/65/84/877536584.db2.gz BRIVEPNDUKMMPS-KRWDZBQOSA-N 1 1 380.448 3.926 20 5 GHBDMO C[C@]1(CO)CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000530495158 877904701 /nfs/dbraw/zinc/90/47/01/877904701.db2.gz DWJJUJSNFPRTMT-QGZVFWFLSA-N 1 1 395.253 3.964 20 5 GHBDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cc(F)ccc1F ZINC000179787259 878014343 /nfs/dbraw/zinc/01/43/43/878014343.db2.gz XJLWBKMXQWPHAV-BDJLRTHQSA-N 1 1 393.390 3.950 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000852185027 878125454 /nfs/dbraw/zinc/12/54/54/878125454.db2.gz TUZNGSDSTPBCDH-UHFFFAOYSA-N 1 1 379.432 3.709 20 5 GHBDMO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451578739 878187437 /nfs/dbraw/zinc/18/74/37/878187437.db2.gz XMCAOXLAXDXQGW-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451578739 878187439 /nfs/dbraw/zinc/18/74/39/878187439.db2.gz XMCAOXLAXDXQGW-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000451842577 878593216 /nfs/dbraw/zinc/59/32/16/878593216.db2.gz FSHBMGHXQNEBKT-IBGZPJMESA-N 1 1 385.420 3.752 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000538142764 878888190 /nfs/dbraw/zinc/88/81/90/878888190.db2.gz CVLOTWHDGZHASF-GFCCVEGCSA-N 1 1 379.363 3.794 20 5 GHBDMO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)c1 ZINC000853496568 879063450 /nfs/dbraw/zinc/06/34/50/879063450.db2.gz IXTZBPYZRHEAEH-LJQANCHMSA-N 1 1 392.463 3.714 20 5 GHBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)c1 ZINC000853496568 879063463 /nfs/dbraw/zinc/06/34/63/879063463.db2.gz IXTZBPYZRHEAEH-LJQANCHMSA-N 1 1 392.463 3.714 20 5 GHBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000031566382 879701654 /nfs/dbraw/zinc/70/16/54/879701654.db2.gz GXHXYKYEDBPXOV-LJQANCHMSA-N 1 1 394.475 3.564 20 5 GHBDMO C[C@H]1[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000494025234 879834922 /nfs/dbraw/zinc/83/49/22/879834922.db2.gz AIDWTXQYPULMCF-UWJYYQICSA-N 1 1 396.491 3.566 20 5 GHBDMO C[C@H]1[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000494028016 879836107 /nfs/dbraw/zinc/83/61/07/879836107.db2.gz OUEZBVSIJHPZFF-KBXCAEBGSA-N 1 1 379.416 3.734 20 5 GHBDMO CNc1c(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000461467717 879888104 /nfs/dbraw/zinc/88/81/04/879888104.db2.gz USDBDZNSBNLJGR-SFHVURJKSA-N 1 1 396.491 3.669 20 5 GHBDMO CCc1ccc([C@H]([NH2+]C[C@@H](O)COc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542478382 880495611 /nfs/dbraw/zinc/49/56/11/880495611.db2.gz SZEXBSPSKPXVRF-XMSQKQJNSA-N 1 1 396.443 3.869 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000509483534 880658184 /nfs/dbraw/zinc/65/81/84/880658184.db2.gz KKLBNMDCSSPXPX-UHFFFAOYSA-N 1 1 377.510 3.797 20 5 GHBDMO CCC[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCc2ccccc2C1 ZINC000919951668 881240350 /nfs/dbraw/zinc/24/03/50/881240350.db2.gz SFOIQJRUHZLWJV-KRWDZBQOSA-N 1 1 381.432 3.730 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350475 883168824 /nfs/dbraw/zinc/16/88/24/883168824.db2.gz YJJKDYVJNNMXMJ-UHFFFAOYSA-N 1 1 386.408 3.661 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350475 883168826 /nfs/dbraw/zinc/16/88/26/883168826.db2.gz YJJKDYVJNNMXMJ-UHFFFAOYSA-N 1 1 386.408 3.661 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000609489187 883250810 /nfs/dbraw/zinc/25/08/10/883250810.db2.gz AQDYDUAEBFWSOJ-HNNXBMFYSA-N 1 1 388.512 3.800 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCCO)[C@@H]3CCc4ccccc43)o2)cc1 ZINC000173389443 883348058 /nfs/dbraw/zinc/34/80/58/883348058.db2.gz VZGODMDIIJFFKD-LJQANCHMSA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCCO)[C@@H]3CCc4ccccc43)o2)cc1 ZINC000173389443 883348076 /nfs/dbraw/zinc/34/80/76/883348076.db2.gz VZGODMDIIJFFKD-LJQANCHMSA-N 1 1 394.431 3.517 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)c3cccc(F)c3)o2)c([N+](=O)[O-])c1 ZINC000609708613 883565804 /nfs/dbraw/zinc/56/58/04/883565804.db2.gz PDBNIVHBWONTQU-SFHVURJKSA-N 1 1 386.379 3.826 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000609874359 883761115 /nfs/dbraw/zinc/76/11/15/883761115.db2.gz UODIYJHMNNOTDV-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000494802838 883801392 /nfs/dbraw/zinc/80/13/92/883801392.db2.gz ZNVRPPHBLFSMDZ-LJQANCHMSA-N 1 1 389.883 3.720 20 5 GHBDMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026924967 884093516 /nfs/dbraw/zinc/09/35/16/884093516.db2.gz MTYIWFXXEYPWNA-GFCCVEGCSA-N 1 1 397.387 3.701 20 5 GHBDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026924967 884093523 /nfs/dbraw/zinc/09/35/23/884093523.db2.gz MTYIWFXXEYPWNA-GFCCVEGCSA-N 1 1 397.387 3.701 20 5 GHBDMO CC(C)(CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000914562659 884162455 /nfs/dbraw/zinc/16/24/55/884162455.db2.gz YQYNDTKCQKCLAE-UHFFFAOYSA-N 1 1 384.505 3.718 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929992 884179817 /nfs/dbraw/zinc/17/98/17/884179817.db2.gz OHJSHVIFAACESH-YTQUADARSA-N 1 1 395.459 3.668 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cc(F)ccc1N1CCC(O)CC1 ZINC001168475655 884405078 /nfs/dbraw/zinc/40/50/78/884405078.db2.gz OJTDCPYTDBPFHC-CYBMUJFWSA-N 1 1 391.418 3.685 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001127313245 884425883 /nfs/dbraw/zinc/42/58/83/884425883.db2.gz XMGUDXUITCOPDV-GASCZTMLSA-N 1 1 379.526 3.898 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001127313245 884425887 /nfs/dbraw/zinc/42/58/87/884425887.db2.gz XMGUDXUITCOPDV-GASCZTMLSA-N 1 1 379.526 3.898 20 5 GHBDMO COc1cccc([C@@H](C)[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000460359718 885017361 /nfs/dbraw/zinc/01/73/61/885017361.db2.gz BKMPCYARMACMJC-OAHLLOKOSA-N 1 1 395.463 3.753 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000498711021 885429183 /nfs/dbraw/zinc/42/91/83/885429183.db2.gz RZOIKUUKXDNUCF-OAHLLOKOSA-N 1 1 379.526 3.899 20 5 GHBDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000495369173 885540115 /nfs/dbraw/zinc/54/01/15/885540115.db2.gz ONJCNBLOHDYCLK-XHDPSFHLSA-N 1 1 384.274 3.806 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495391854 885622599 /nfs/dbraw/zinc/62/25/99/885622599.db2.gz TYUAGWZCSXSDCV-UHFFFAOYSA-N 1 1 397.353 3.872 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495391854 885622604 /nfs/dbraw/zinc/62/26/04/885622604.db2.gz TYUAGWZCSXSDCV-UHFFFAOYSA-N 1 1 397.353 3.872 20 5 GHBDMO Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000556867702 886385391 /nfs/dbraw/zinc/38/53/91/886385391.db2.gz IKKNPHKXOPYZIP-OXJNMPFZSA-N 1 1 380.448 3.783 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000556870741 886421296 /nfs/dbraw/zinc/42/12/96/886421296.db2.gz HEUIOMIJZSBBCK-QKLQHJQFSA-N 1 1 399.539 3.764 20 5 GHBDMO CCCCO[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000556872850 886432235 /nfs/dbraw/zinc/43/22/35/886432235.db2.gz RNXWDYXQKTXTOZ-QRVBRYPASA-N 1 1 386.496 3.991 20 5 GHBDMO COCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000487986347 887162187 /nfs/dbraw/zinc/16/21/87/887162187.db2.gz HOMAFSPIUXFVNK-GXTWGEPZSA-N 1 1 388.411 3.842 20 5 GHBDMO CC(C)OC1CC([NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000459302523 887165936 /nfs/dbraw/zinc/16/59/36/887165936.db2.gz DWPUBWICZIPKNQ-UHFFFAOYSA-N 1 1 387.402 3.692 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cc(Cl)ccc1F ZINC001168498637 887402808 /nfs/dbraw/zinc/40/28/08/887402808.db2.gz RRMFDVOPXBQDMZ-SNVBAGLBSA-N 1 1 381.791 3.685 20 5 GHBDMO Cc1csc(CCCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000272474444 887568504 /nfs/dbraw/zinc/56/85/04/887568504.db2.gz BAODNEWDZHGYEN-SFHVURJKSA-N 1 1 385.493 3.795 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001132306842 888578935 /nfs/dbraw/zinc/57/89/35/888578935.db2.gz KHAOHVLRYPUEKY-ZKMOHVOUSA-N 1 1 393.487 3.583 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153845055 888724915 /nfs/dbraw/zinc/72/49/15/888724915.db2.gz WPYFEZCWQPRHMV-LJQANCHMSA-N 1 1 397.479 3.817 20 5 GHBDMO C[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532839779 889057657 /nfs/dbraw/zinc/05/76/57/889057657.db2.gz MBHGJOZJPZNNLX-MRXNPFEDSA-N 1 1 384.480 3.866 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454619239 889390930 /nfs/dbraw/zinc/39/09/30/889390930.db2.gz NXPKXQYDTVEIMF-XGHQBKJUSA-N 1 1 396.491 3.866 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c2ccc([N+](=O)[O-])cc12 ZINC000811782004 889956374 /nfs/dbraw/zinc/95/63/74/889956374.db2.gz KPACKVKGGULNSV-NRFANRHFSA-N 1 1 378.432 3.680 20 5 GHBDMO C[C@H]1c2c(F)cccc2CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533289622 890201660 /nfs/dbraw/zinc/20/16/60/890201660.db2.gz SEVOEOABUJMFSU-ZDUSSCGKSA-N 1 1 385.395 3.651 20 5 GHBDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533289622 890201674 /nfs/dbraw/zinc/20/16/74/890201674.db2.gz SEVOEOABUJMFSU-ZDUSSCGKSA-N 1 1 385.395 3.651 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000154206576 890280331 /nfs/dbraw/zinc/28/03/31/890280331.db2.gz TUILISWWFAAYBH-GOSISDBHSA-N 1 1 399.274 3.820 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000533431186 890547796 /nfs/dbraw/zinc/54/77/96/890547796.db2.gz XTGRTPCUPUGLMM-NSISKUIASA-N 1 1 389.496 3.757 20 5 GHBDMO Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)co2)cc1 ZINC000533516294 890735814 /nfs/dbraw/zinc/73/58/14/890735814.db2.gz KHEOPYWGFLIKIU-INIZCTEOSA-N 1 1 379.420 3.640 20 5 GHBDMO Cc1ccc(-c2nc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)co2)cc1 ZINC000533516294 890735818 /nfs/dbraw/zinc/73/58/18/890735818.db2.gz KHEOPYWGFLIKIU-INIZCTEOSA-N 1 1 379.420 3.640 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000872036372 891128803 /nfs/dbraw/zinc/12/88/03/891128803.db2.gz UQEGNJACQDZGAV-WMLDXEAASA-N 1 1 379.526 3.611 20 5 GHBDMO Cc1ccsc1[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172717 891335065 /nfs/dbraw/zinc/33/50/65/891335065.db2.gz MDAVUYXMHNHBJV-RCCFBDPRSA-N 1 1 386.473 3.886 20 5 GHBDMO Cc1ccsc1[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172717 891335080 /nfs/dbraw/zinc/33/50/80/891335080.db2.gz MDAVUYXMHNHBJV-RCCFBDPRSA-N 1 1 386.473 3.886 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc(OC(F)F)c1 ZINC000813173420 891335624 /nfs/dbraw/zinc/33/56/24/891335624.db2.gz CFBZZXRNMJNOQP-KRWDZBQOSA-N 1 1 392.358 3.628 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc(OC(F)F)c1 ZINC000813173420 891335637 /nfs/dbraw/zinc/33/56/37/891335637.db2.gz CFBZZXRNMJNOQP-KRWDZBQOSA-N 1 1 392.358 3.628 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000287844665 913561008 /nfs/dbraw/zinc/56/10/08/913561008.db2.gz QVPRTCJSLWIWEP-UHFFFAOYSA-N 1 1 389.383 3.823 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000287844665 913561019 /nfs/dbraw/zinc/56/10/19/913561019.db2.gz QVPRTCJSLWIWEP-UHFFFAOYSA-N 1 1 389.383 3.823 20 5 GHBDMO O=[N+]([O-])c1c(Br)cccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001185127452 913682761 /nfs/dbraw/zinc/68/27/61/913682761.db2.gz MSTGZBUJHQIMEL-UHFFFAOYSA-N 1 1 392.253 3.933 20 5 GHBDMO Cc1cc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn2cc[nH+]c12 ZINC000455623890 892808948 /nfs/dbraw/zinc/80/89/48/892808948.db2.gz MNOSIFCHDCFOSQ-MRXNPFEDSA-N 1 1 379.420 3.962 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]2C1 ZINC000814676259 893055507 /nfs/dbraw/zinc/05/55/07/893055507.db2.gz FUIUIVFWRMKFSP-HDICACEKSA-N 1 1 389.496 3.716 20 5 GHBDMO Cc1cc(Br)c2c(c1)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000778190760 893190441 /nfs/dbraw/zinc/19/04/41/893190441.db2.gz TZFQYPOWTXOSCE-SFHVURJKSA-N 1 1 391.265 3.757 20 5 GHBDMO Cc1cc(Br)c2c(c1)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000778190760 893190447 /nfs/dbraw/zinc/19/04/47/893190447.db2.gz TZFQYPOWTXOSCE-SFHVURJKSA-N 1 1 391.265 3.757 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498169019 893483461 /nfs/dbraw/zinc/48/34/61/893483461.db2.gz SFVQVMGWHIBGIY-GASCZTMLSA-N 1 1 384.480 3.629 20 5 GHBDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000563475134 893779918 /nfs/dbraw/zinc/77/99/18/893779918.db2.gz HFCCOKHVGMXLEH-HFTRVMKXSA-N 1 1 386.448 3.716 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC000778268268 893905933 /nfs/dbraw/zinc/90/59/33/893905933.db2.gz JSPACXBYBCOTKV-UHFFFAOYSA-N 1 1 391.418 3.843 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)o1 ZINC000878059132 893986890 /nfs/dbraw/zinc/98/68/90/893986890.db2.gz HBXFZVNMFYUWNE-SFHVURJKSA-N 1 1 380.404 3.608 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)o1 ZINC000878059132 893986896 /nfs/dbraw/zinc/98/68/96/893986896.db2.gz HBXFZVNMFYUWNE-SFHVURJKSA-N 1 1 380.404 3.608 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000536983527 894172213 /nfs/dbraw/zinc/17/22/13/894172213.db2.gz MORNUQFBBGBBIA-BEFAXECRSA-N 1 1 394.475 3.734 20 5 GHBDMO O=C(N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001135191619 894173567 /nfs/dbraw/zinc/17/35/67/894173567.db2.gz FVEVRLNIYOOUMB-GOSISDBHSA-N 1 1 393.365 3.532 20 5 GHBDMO O=C(N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001135191619 894173571 /nfs/dbraw/zinc/17/35/71/894173571.db2.gz FVEVRLNIYOOUMB-GOSISDBHSA-N 1 1 393.365 3.532 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2ccn(C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459764667 894187216 /nfs/dbraw/zinc/18/72/16/894187216.db2.gz VCWTZSJSOBCODU-HNNXBMFYSA-N 1 1 396.447 3.767 20 5 GHBDMO COc1c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000476086132 895144617 /nfs/dbraw/zinc/14/46/17/895144617.db2.gz XJXJVKOJNNNZPZ-AEFFLSMTSA-N 1 1 397.475 3.729 20 5 GHBDMO CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@H+]1CCc2ccccc2C1 ZINC000816904774 895190465 /nfs/dbraw/zinc/19/04/65/895190465.db2.gz AZQDHVOHMLRUQA-UHFFFAOYSA-N 1 1 387.867 3.815 20 5 GHBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000564957868 895323579 /nfs/dbraw/zinc/32/35/79/895323579.db2.gz HSPCMBMYDCROKG-LJQANCHMSA-N 1 1 389.452 3.520 20 5 GHBDMO Cn1cc([C@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2(C)C)cn1 ZINC000565167932 895435657 /nfs/dbraw/zinc/43/56/57/895435657.db2.gz ALNCQZPTSJNSJX-GOSISDBHSA-N 1 1 395.463 3.651 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000880249752 895593596 /nfs/dbraw/zinc/59/35/96/895593596.db2.gz GAPBHFZRGKOCEU-MRXNPFEDSA-N 1 1 393.447 3.524 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000880314468 895630829 /nfs/dbraw/zinc/63/08/29/895630829.db2.gz ALYKJIXCUVHRSB-JTQLQIEISA-N 1 1 385.392 3.651 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881101407 896138432 /nfs/dbraw/zinc/13/84/32/896138432.db2.gz OONDGAJDNHSLAU-YCRPNKLZSA-N 1 1 377.448 3.963 20 5 GHBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH2+]Cc3ccccc32)CC1 ZINC000818543591 896200470 /nfs/dbraw/zinc/20/04/70/896200470.db2.gz SPNLVELOQDMNGB-UHFFFAOYSA-N 1 1 394.475 3.581 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881277228 896276961 /nfs/dbraw/zinc/27/69/61/896276961.db2.gz DMLJPXWVACTSKW-MGPUTAFESA-N 1 1 377.448 3.963 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2csc(CCc3ccccc3)n2)cc1 ZINC000819140046 896395931 /nfs/dbraw/zinc/39/59/31/896395931.db2.gz ONAYDVQNXFNMMO-IBGZPJMESA-N 1 1 383.473 3.660 20 5 GHBDMO CC(C)[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000065512407 896495223 /nfs/dbraw/zinc/49/52/23/896495223.db2.gz LDXDQXVZDZHMGF-UHFFFAOYSA-N 1 1 384.436 3.544 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](CNc4ccccn4)C3)o2)c1 ZINC000104681760 898154659 /nfs/dbraw/zinc/15/46/59/898154659.db2.gz NBYZWZJGSISYCM-MRXNPFEDSA-N 1 1 393.447 3.621 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000822139965 898232217 /nfs/dbraw/zinc/23/22/17/898232217.db2.gz SFARUBOXVJWRAF-LLVKDONJSA-N 1 1 399.289 3.599 20 5 GHBDMO Cn1ccnc1[C@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000569248686 898466244 /nfs/dbraw/zinc/46/62/44/898466244.db2.gz CLQCDFAKXMZNOJ-LEWJYISDSA-N 1 1 397.523 3.804 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000805794319 898503161 /nfs/dbraw/zinc/50/31/61/898503161.db2.gz RPLWYHDSGABTIV-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000805794319 898503170 /nfs/dbraw/zinc/50/31/70/898503170.db2.gz RPLWYHDSGABTIV-FQEVSTJZSA-N 1 1 393.459 3.957 20 5 GHBDMO C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000065523896 898589958 /nfs/dbraw/zinc/58/99/58/898589958.db2.gz CRKKXIOZBWSMKM-OWCLPIDISA-N 1 1 376.501 3.712 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC001136660413 898817140 /nfs/dbraw/zinc/81/71/40/898817140.db2.gz OBPYBXRGCYELCV-UHFFFAOYSA-N 1 1 385.867 3.971 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000570132499 899145325 /nfs/dbraw/zinc/14/53/25/899145325.db2.gz XEQJJXSGOHXOKZ-OAHLLOKOSA-N 1 1 382.464 3.726 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823945077 899326799 /nfs/dbraw/zinc/32/67/99/899326799.db2.gz KPSNFMFIFPAKPG-LJQANCHMSA-N 1 1 397.479 3.599 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000332113901 899411483 /nfs/dbraw/zinc/41/14/83/899411483.db2.gz BFEFKDLIVZLKPS-UXLLHSPISA-N 1 1 377.510 3.551 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1(C)C ZINC000570609943 899435827 /nfs/dbraw/zinc/43/58/27/899435827.db2.gz GKBSMUJZTCGVEK-JKSUJKDBSA-N 1 1 388.411 3.840 20 5 GHBDMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570649738 899471318 /nfs/dbraw/zinc/47/13/18/899471318.db2.gz MGNXWBARGUIPBW-NHCUHLMSSA-N 1 1 393.487 3.823 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726118 899535312 /nfs/dbraw/zinc/53/53/12/899535312.db2.gz REZRFFMKTJYUPE-KRWDZBQOSA-N 1 1 389.521 3.797 20 5 GHBDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726118 899535357 /nfs/dbraw/zinc/53/53/57/899535357.db2.gz REZRFFMKTJYUPE-KRWDZBQOSA-N 1 1 389.521 3.797 20 5 GHBDMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726118 899535368 /nfs/dbraw/zinc/53/53/68/899535368.db2.gz REZRFFMKTJYUPE-KRWDZBQOSA-N 1 1 389.521 3.797 20 5 GHBDMO C[NH+]1CCC([C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)CC1 ZINC000572167423 900085199 /nfs/dbraw/zinc/08/51/99/900085199.db2.gz FITOOAYZBKFCHX-KRWDZBQOSA-N 1 1 386.521 3.882 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)n1 ZINC000884472710 900121473 /nfs/dbraw/zinc/12/14/73/900121473.db2.gz GHPYEFXABUTRAS-OAHLLOKOSA-N 1 1 398.492 3.530 20 5 GHBDMO Cc1csc(C[C@H]2CCC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)n1 ZINC000884472710 900121482 /nfs/dbraw/zinc/12/14/82/900121482.db2.gz GHPYEFXABUTRAS-OAHLLOKOSA-N 1 1 398.492 3.530 20 5 GHBDMO COC(=O)c1cncc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000886601255 901183556 /nfs/dbraw/zinc/18/35/56/901183556.db2.gz NMDJOKCQLWZBMY-SNVBAGLBSA-N 1 1 383.326 3.646 20 5 GHBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000575367558 901216177 /nfs/dbraw/zinc/21/61/77/901216177.db2.gz BGHXQQSQJHKHRN-MAUKXSAKSA-N 1 1 387.505 3.618 20 5 GHBDMO Cc1noc([C@@H]2CCC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n1 ZINC000091832211 901460595 /nfs/dbraw/zinc/46/05/95/901460595.db2.gz AHLHURXPWALMAD-CQSZACIVSA-N 1 1 385.449 3.789 20 5 GHBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n1 ZINC000091832211 901460604 /nfs/dbraw/zinc/46/06/04/901460604.db2.gz AHLHURXPWALMAD-CQSZACIVSA-N 1 1 385.449 3.789 20 5 GHBDMO Cc1ccnc([C@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000576595560 902116846 /nfs/dbraw/zinc/11/68/46/902116846.db2.gz NJUHIPBJRIGNDD-HOCLYGCPSA-N 1 1 379.420 3.899 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778951291 902161146 /nfs/dbraw/zinc/16/11/46/902161146.db2.gz JOZXJFKPIQPQJN-GOEBONIOSA-N 1 1 393.484 3.729 20 5 GHBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)C2)C1 ZINC001186565343 914637383 /nfs/dbraw/zinc/63/73/83/914637383.db2.gz PEYQELAJFTUJIH-JOCHJYFZSA-N 1 1 379.460 3.748 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000577670423 903029414 /nfs/dbraw/zinc/02/94/14/903029414.db2.gz MYSSJLGEIIMAIY-SFHVURJKSA-N 1 1 397.475 3.887 20 5 GHBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000132380068 903247961 /nfs/dbraw/zinc/24/79/61/903247961.db2.gz VIJWHNLATHSNSB-LPHOPBHVSA-N 1 1 397.475 3.729 20 5 GHBDMO C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CCc1cccc([N+](=O)[O-])c1 ZINC000577959928 903387920 /nfs/dbraw/zinc/38/79/20/903387920.db2.gz ZXXRUDONQMECER-OAQYLSRUSA-N 1 1 381.476 3.653 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)s1 ZINC000578508112 903916539 /nfs/dbraw/zinc/91/65/39/903916539.db2.gz WBRAPDQYHUVPPO-CQSZACIVSA-N 1 1 381.461 3.800 20 5 GHBDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001171489899 904733848 /nfs/dbraw/zinc/73/38/48/904733848.db2.gz JYNPZMKRSVOBRU-UWJYYQICSA-N 1 1 388.439 3.571 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000174962304 905401810 /nfs/dbraw/zinc/40/18/10/905401810.db2.gz IMAXGPTVFGRBCO-KRWDZBQOSA-N 1 1 392.459 3.670 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801599719 921178520 /nfs/dbraw/zinc/17/85/20/921178520.db2.gz ANDVBPLQBYLHHT-KRWDZBQOSA-N 1 1 396.491 3.697 20 5 GHBDMO COc1ccc(CC[N@@H+](C[C@H](C)O)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172908005 905935341 /nfs/dbraw/zinc/93/53/41/905935341.db2.gz KDSAQVSMVOWSHM-UWJYYQICSA-N 1 1 398.503 3.776 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@]3(C[C@@H](OCC4CC4)CO3)C1)CC2 ZINC001172907993 905935617 /nfs/dbraw/zinc/93/56/17/905935617.db2.gz ABJQZNAWYGVFRT-FCEUIQTBSA-N 1 1 386.492 3.502 20 5 GHBDMO COC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172914185 905986593 /nfs/dbraw/zinc/98/65/93/905986593.db2.gz DPYMLHIJSQZNHA-FQEVSTJZSA-N 1 1 380.444 3.687 20 5 GHBDMO COC(=O)c1cccc2c1C[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172918728 905988924 /nfs/dbraw/zinc/98/89/24/905988924.db2.gz CDLLLOBZDSTPCB-SFHVURJKSA-N 1 1 380.444 3.687 20 5 GHBDMO CC(C)(C)OC(=O)O[C@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909521 906017274 /nfs/dbraw/zinc/01/72/74/906017274.db2.gz SGGJHZOJZHNNOW-WMZOPIPTSA-N 1 1 376.453 3.868 20 5 GHBDMO C[C@]1(F)CC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H]1F ZINC001173010064 906086378 /nfs/dbraw/zinc/08/63/78/906086378.db2.gz LOGCYACDPDAKEY-WBVHZDCISA-N 1 1 375.366 3.614 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CCCNC(=O)OC(C)(C)C)c1F ZINC001173187885 906269723 /nfs/dbraw/zinc/26/97/23/906269723.db2.gz ZHKNFWJLRMCGPA-CYBMUJFWSA-N 1 1 399.463 3.520 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c1F ZINC001173193004 906277909 /nfs/dbraw/zinc/27/79/09/906277909.db2.gz NRSLHKRZKTUIHM-GOEBONIOSA-N 1 1 389.427 3.612 20 5 GHBDMO CCCCN1CCC([N@H+](C)[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173194715 906279986 /nfs/dbraw/zinc/27/99/86/906279986.db2.gz YWGGGVIMXHNMNJ-OAHLLOKOSA-N 1 1 381.492 3.870 20 5 GHBDMO CCCCN1CCC([N@@H+](C)[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173194715 906279996 /nfs/dbraw/zinc/27/99/96/906279996.db2.gz YWGGGVIMXHNMNJ-OAHLLOKOSA-N 1 1 381.492 3.870 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CCc2ccccc2OC)c1F ZINC001173196955 906280933 /nfs/dbraw/zinc/28/09/33/906280933.db2.gz QYYZVIITILAYIB-AWEZNQCLSA-N 1 1 376.428 3.857 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001173223444 906304272 /nfs/dbraw/zinc/30/42/72/906304272.db2.gz ZVWAECPHGIKWKV-WDYCEAGBSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001173230752 906314234 /nfs/dbraw/zinc/31/42/34/906314234.db2.gz FKPORIRBLYHJPN-CVEARBPZSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001173231851 906318674 /nfs/dbraw/zinc/31/86/74/906318674.db2.gz DIKCPQHKDZQLLK-HNNXBMFYSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001173231851 906318685 /nfs/dbraw/zinc/31/86/85/906318685.db2.gz DIKCPQHKDZQLLK-HNNXBMFYSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(Cc2c(F)cccc2F)CC1 ZINC001173233593 906320941 /nfs/dbraw/zinc/32/09/41/906320941.db2.gz XMNQPOHSUCXURS-HNNXBMFYSA-N 1 1 375.419 3.622 20 5 GHBDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000180650870 906809044 /nfs/dbraw/zinc/80/90/44/906809044.db2.gz VZGQRWRXGPGTLQ-QRWLVFNGSA-N 1 1 396.447 3.534 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1CO ZINC000191730085 907186395 /nfs/dbraw/zinc/18/63/95/907186395.db2.gz NKZCULFWIPTLAU-NEPJUHHUSA-N 1 1 395.253 3.678 20 5 GHBDMO Cc1cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)ccc1[N+](=O)[O-] ZINC000299377979 921306127 /nfs/dbraw/zinc/30/61/27/921306127.db2.gz YEIYTHDGWXQELX-UHFFFAOYSA-N 1 1 379.460 3.566 20 5 GHBDMO COc1cc(CN2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c([N+](=O)[O-])cc1F ZINC001175973635 907846759 /nfs/dbraw/zinc/84/67/59/907846759.db2.gz POZGANGWOBIBCA-GCJKJVERSA-N 1 1 399.466 3.696 20 5 GHBDMO CC(C)[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001176321919 908054627 /nfs/dbraw/zinc/05/46/27/908054627.db2.gz DRTLVDBMUDMRRA-UHFFFAOYSA-N 1 1 391.472 3.548 20 5 GHBDMO CC(C)[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001176321919 908054640 /nfs/dbraw/zinc/05/46/40/908054640.db2.gz DRTLVDBMUDMRRA-UHFFFAOYSA-N 1 1 391.472 3.548 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001176410542 908104328 /nfs/dbraw/zinc/10/43/28/908104328.db2.gz ALEOZWISJHXCFC-ZFWWWQNUSA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001176410542 908104339 /nfs/dbraw/zinc/10/43/39/908104339.db2.gz ALEOZWISJHXCFC-ZFWWWQNUSA-N 1 1 395.887 3.714 20 5 GHBDMO COc1ccc(C[N@H+](CCCO)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001176827134 908268459 /nfs/dbraw/zinc/26/84/59/908268459.db2.gz BPWNNYOWPRWYGC-UHFFFAOYSA-N 1 1 397.431 3.643 20 5 GHBDMO COc1ccc(C[N@@H+](CCCO)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001176827134 908268469 /nfs/dbraw/zinc/26/84/69/908268469.db2.gz BPWNNYOWPRWYGC-UHFFFAOYSA-N 1 1 397.431 3.643 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H]1C ZINC001176916537 908321116 /nfs/dbraw/zinc/32/11/16/908321116.db2.gz YSCMQINXKPLEAM-ZIVKBKJYSA-N 1 1 382.432 3.541 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H]1C ZINC001176916537 908321131 /nfs/dbraw/zinc/32/11/31/908321131.db2.gz YSCMQINXKPLEAM-ZIVKBKJYSA-N 1 1 382.432 3.541 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H]([N@@H+](C)CC)C2)cc1OC ZINC001177051172 908383245 /nfs/dbraw/zinc/38/32/45/908383245.db2.gz TUNXFEZSRBVLRO-RDJZCZTQSA-N 1 1 379.501 3.554 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC001178843750 909259554 /nfs/dbraw/zinc/25/95/54/909259554.db2.gz AMVJWUKKNDTNGW-LBPRGKRZSA-N 1 1 394.244 3.865 20 5 GHBDMO CCCC[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000795407967 910225181 /nfs/dbraw/zinc/22/51/81/910225181.db2.gz FOKGOSXYTMGRSC-UHFFFAOYSA-N 1 1 382.258 3.535 20 5 GHBDMO CCCC[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000795407967 910225194 /nfs/dbraw/zinc/22/51/94/910225194.db2.gz FOKGOSXYTMGRSC-UHFFFAOYSA-N 1 1 382.258 3.535 20 5 GHBDMO CC(C)C[C@@H]1CCC[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795415573 910268052 /nfs/dbraw/zinc/26/80/52/910268052.db2.gz QPZUVQBGZWDZHK-ZDUSSCGKSA-N 1 1 396.285 3.781 20 5 GHBDMO O=C(c1ccccc1)N1CC[C@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000283173932 911398541 /nfs/dbraw/zinc/39/85/41/911398541.db2.gz PPQNOKVVFZLZTQ-SFHVURJKSA-N 1 1 379.460 3.722 20 5 GHBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303705065 915062349 /nfs/dbraw/zinc/06/23/49/915062349.db2.gz BQELCYSPXPPANA-WMLDXEAASA-N 1 1 383.423 3.501 20 5 GHBDMO C[C@H]1C[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000303799986 915112394 /nfs/dbraw/zinc/11/23/94/915112394.db2.gz WOYQJRUDRUPJIZ-AZUAARDMSA-N 1 1 383.492 3.959 20 5 GHBDMO C[C@H]1C[C@H](N(C)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303799986 915112401 /nfs/dbraw/zinc/11/24/01/915112401.db2.gz WOYQJRUDRUPJIZ-AZUAARDMSA-N 1 1 383.492 3.959 20 5 GHBDMO C[C@H]1C[C@H](N(C)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303799986 915112414 /nfs/dbraw/zinc/11/24/14/915112414.db2.gz WOYQJRUDRUPJIZ-AZUAARDMSA-N 1 1 383.492 3.959 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303777149 915113936 /nfs/dbraw/zinc/11/39/36/915113936.db2.gz RTUKDAQQUFWRNS-INIZCTEOSA-N 1 1 399.422 3.657 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000292993576 915939692 /nfs/dbraw/zinc/93/96/92/915939692.db2.gz MKLGPAAYPXONRW-UHFFFAOYSA-N 1 1 386.326 3.642 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)cc1[N+](=O)[O-] ZINC000293318330 916122785 /nfs/dbraw/zinc/12/27/85/916122785.db2.gz FKVOCHUGMSIXTC-HNNXBMFYSA-N 1 1 385.468 3.543 20 5 GHBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C2)C1 ZINC000294329751 916741366 /nfs/dbraw/zinc/74/13/66/916741366.db2.gz XJZNUUOVJQKBSL-QHCPKHFHSA-N 1 1 375.472 3.652 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC001190407440 917316796 /nfs/dbraw/zinc/31/67/96/917316796.db2.gz OAMVCFMXUIVQRW-OAHLLOKOSA-N 1 1 379.258 3.699 20 5 GHBDMO C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000295674909 917415507 /nfs/dbraw/zinc/41/55/07/917415507.db2.gz KXAUUPGUNXUJLP-STQMWFEESA-N 1 1 399.413 3.996 20 5 GHBDMO COc1cc(CN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC001190883536 917627584 /nfs/dbraw/zinc/62/75/84/917627584.db2.gz HTOGUCJUJVVESP-UHFFFAOYSA-N 1 1 387.455 3.839 20 5 GHBDMO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296604802 918453320 /nfs/dbraw/zinc/45/33/20/918453320.db2.gz DRVJQJIBOPVXRK-HKUYNNGSSA-N 1 1 396.491 3.819 20 5 GHBDMO CN(C)[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000113311257 919367061 /nfs/dbraw/zinc/36/70/61/919367061.db2.gz OZNYOASPHGDJCK-HXUWFJFHSA-N 1 1 396.516 3.981 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113960684 919382125 /nfs/dbraw/zinc/38/21/25/919382125.db2.gz VRHCNTPUQAINLU-CYBMUJFWSA-N 1 1 385.367 3.570 20 5 GHBDMO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000116348430 919504606 /nfs/dbraw/zinc/50/46/06/919504606.db2.gz CVIGMYWRKUBIQZ-LAUBAEHRSA-N 1 1 381.476 3.821 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000117334707 919537333 /nfs/dbraw/zinc/53/73/33/919537333.db2.gz RSMPWSAKSSZFRW-KRWDZBQOSA-N 1 1 385.395 3.869 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000119933390 919670124 /nfs/dbraw/zinc/67/01/24/919670124.db2.gz CUGLHMXPWFTZCE-ZDUSSCGKSA-N 1 1 382.395 3.648 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000902501182 922241862 /nfs/dbraw/zinc/24/18/62/922241862.db2.gz IXUAOAQVEAZLGK-URVUXULASA-N 1 1 379.460 3.818 20 5 GHBDMO CCOc1ccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000902504036 922244525 /nfs/dbraw/zinc/24/45/25/922244525.db2.gz VQEIDLGKOOQBFP-VPKVUBIPSA-N 1 1 397.475 3.900 20 5 GHBDMO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000802653044 922307652 /nfs/dbraw/zinc/30/76/52/922307652.db2.gz NTBSRQMBDRHVHI-UHFFFAOYSA-N 1 1 381.885 3.756 20 5 GHBDMO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000802653044 922307667 /nfs/dbraw/zinc/30/76/67/922307667.db2.gz NTBSRQMBDRHVHI-UHFFFAOYSA-N 1 1 381.885 3.756 20 5 GHBDMO O=C(CCCC[NH+]1CCOCC1)OCc1nc2ccccc2c2ccccc12 ZINC000803513298 923060079 /nfs/dbraw/zinc/06/00/79/923060079.db2.gz WWAVBDUEKCMZQJ-UHFFFAOYSA-N 1 1 378.472 3.934 20 5 GHBDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000748316202 923569806 /nfs/dbraw/zinc/56/98/06/923569806.db2.gz ACMSZEGCXGQYJH-KRWDZBQOSA-N 1 1 377.485 3.512 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3[C@H](O)c3ccccc3)o2)cc1 ZINC000369827940 923651194 /nfs/dbraw/zinc/65/11/94/923651194.db2.gz BHQJRMCAGHDUCD-AZUAARDMSA-N 1 1 394.431 3.733 20 5 GHBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000409983117 925205909 /nfs/dbraw/zinc/20/59/09/925205909.db2.gz GLTOOPUATATAIK-MRXNPFEDSA-N 1 1 383.448 3.849 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000373078373 925846781 /nfs/dbraw/zinc/84/67/81/925846781.db2.gz SZUVPQPNBQQCTO-UHFFFAOYSA-N 1 1 389.496 3.607 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000827867021 926118523 /nfs/dbraw/zinc/11/85/23/926118523.db2.gz SGGYFPNGEKZEHZ-CQSZACIVSA-N 1 1 375.856 3.807 20 5 GHBDMO O=C(Oc1ccccc1)N1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000725811121 926453196 /nfs/dbraw/zinc/45/31/96/926453196.db2.gz CWESLEWXBFDSEJ-UHFFFAOYSA-N 1 1 399.447 3.570 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000726599720 926753784 /nfs/dbraw/zinc/75/37/84/926753784.db2.gz KCXXVKOKUPWIBT-ZBFHGGJFSA-N 1 1 393.484 3.871 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000726599720 926753788 /nfs/dbraw/zinc/75/37/88/926753788.db2.gz KCXXVKOKUPWIBT-ZBFHGGJFSA-N 1 1 393.484 3.871 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000750074379 927420449 /nfs/dbraw/zinc/42/04/49/927420449.db2.gz XQBHHKDHGDKPEU-PKTZIBPZSA-N 1 1 395.503 3.616 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(CC)CC ZINC000751959312 928512301 /nfs/dbraw/zinc/51/23/01/928512301.db2.gz KNGWCMSMZAJAPE-SJORKVTESA-N 1 1 375.473 3.521 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000467042796 928631058 /nfs/dbraw/zinc/63/10/58/928631058.db2.gz CKOYUGOUQJTWDF-VQIMIIECSA-N 1 1 381.476 3.652 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000544110999 928818722 /nfs/dbraw/zinc/81/87/22/928818722.db2.gz JLKDLSOOUDDSJO-VBKZILBWSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000544110999 928818726 /nfs/dbraw/zinc/81/87/26/928818726.db2.gz JLKDLSOOUDDSJO-VBKZILBWSA-N 1 1 383.448 3.933 20 5 GHBDMO COCC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467272283 928900682 /nfs/dbraw/zinc/90/06/82/928900682.db2.gz AKXDVBRKNQBFMA-UONOGXRCSA-N 1 1 383.876 3.714 20 5 GHBDMO COCC[C@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467272283 928900694 /nfs/dbraw/zinc/90/06/94/928900694.db2.gz AKXDVBRKNQBFMA-UONOGXRCSA-N 1 1 383.876 3.714 20 5 GHBDMO CO[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC[C@H]1C ZINC000467291746 928924726 /nfs/dbraw/zinc/92/47/26/928924726.db2.gz XYBKGQGICVIJOQ-HBGVWJBISA-N 1 1 397.475 3.940 20 5 GHBDMO CO[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC[C@H]1C ZINC000467291746 928924738 /nfs/dbraw/zinc/92/47/38/928924738.db2.gz XYBKGQGICVIJOQ-HBGVWJBISA-N 1 1 397.475 3.940 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000467697824 929312842 /nfs/dbraw/zinc/31/28/42/929312842.db2.gz ZOPLJDMYHGCACL-BQFCYCMXSA-N 1 1 399.516 3.855 20 5 GHBDMO CC[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757097609 929637281 /nfs/dbraw/zinc/63/72/81/929637281.db2.gz COWKZGFDHUVOAV-XJKSGUPXSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757097609 929637282 /nfs/dbraw/zinc/63/72/82/929637282.db2.gz COWKZGFDHUVOAV-XJKSGUPXSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470127874 930392612 /nfs/dbraw/zinc/39/26/12/930392612.db2.gz GEIPWOJHVOKCOH-HNNXBMFYSA-N 1 1 386.427 3.862 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccccc1SC ZINC000471004379 931088662 /nfs/dbraw/zinc/08/86/62/931088662.db2.gz CQDIBNGNJFFILX-UHFFFAOYSA-N 1 1 389.477 3.786 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@](C)(O)CC2)cc1OC ZINC000471076110 931135736 /nfs/dbraw/zinc/13/57/36/931135736.db2.gz SVZWOKSVCSKPGQ-YWZLYKJASA-N 1 1 380.485 3.765 20 5 GHBDMO O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000783783780 931654607 /nfs/dbraw/zinc/65/46/07/931654607.db2.gz DBKFIVKPFWUZOB-MRXNPFEDSA-N 1 1 390.386 3.828 20 5 GHBDMO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1Cc1ccccc1 ZINC000557930450 931760138 /nfs/dbraw/zinc/76/01/38/931760138.db2.gz JQBZWNMPSTUGTF-DNVCBOLYSA-N 1 1 390.443 3.536 20 5 GHBDMO C/C(=C\C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784074108 931775922 /nfs/dbraw/zinc/77/59/22/931775922.db2.gz RSWGUUOWKVRERO-UEBLJOKOSA-N 1 1 379.460 3.731 20 5 GHBDMO Cc1ccc(N(C)[C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000784375762 931874234 /nfs/dbraw/zinc/87/42/34/931874234.db2.gz VEBROOQMIDNZJV-HXUWFJFHSA-N 1 1 397.475 3.871 20 5 GHBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnn(-c3cc[nH+]cc3)c1C(F)F)CC2 ZINC000784602404 931954605 /nfs/dbraw/zinc/95/46/05/931954605.db2.gz PHDJTRICQRYUOW-UHFFFAOYSA-N 1 1 399.357 3.624 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(C)=C(Br)C1 ZINC000797528085 932320476 /nfs/dbraw/zinc/32/04/76/932320476.db2.gz JYCVPDKHRNDINK-UHFFFAOYSA-N 1 1 382.258 3.606 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(C)=C(Br)C1 ZINC000797528085 932320481 /nfs/dbraw/zinc/32/04/81/932320481.db2.gz JYCVPDKHRNDINK-UHFFFAOYSA-N 1 1 382.258 3.606 20 5 GHBDMO O=C(c1ccccc1)c1ccc(NCc2c[nH+]c3n2CCCC3)c([N+](=O)[O-])c1 ZINC000561346337 934070971 /nfs/dbraw/zinc/07/09/71/934070971.db2.gz LSIIVJAVACTWLP-UHFFFAOYSA-N 1 1 376.416 3.971 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931191263 934427470 /nfs/dbraw/zinc/42/74/70/934427470.db2.gz SRLPIPNHDKWWES-CWFSZBLJSA-N 1 1 399.516 3.788 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC000828807155 935716354 /nfs/dbraw/zinc/71/63/54/935716354.db2.gz JMFJFRJWTLPVCK-UAPYVXQJSA-N 1 1 385.420 3.809 20 5 GHBDMO CCNc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000545475390 1015914246 /nfs/dbraw/zinc/91/42/46/1015914246.db2.gz NLMGATTWUHKWTO-IBGZPJMESA-N 1 1 396.491 3.763 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001226804985 1032135757 /nfs/dbraw/zinc/13/57/57/1032135757.db2.gz UZMVEWKJKSDUFB-XOBRGWDASA-N 1 1 396.422 3.967 20 5 GHBDMO CC1=CC[N@@H+](CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000545869243 1016550318 /nfs/dbraw/zinc/55/03/18/1016550318.db2.gz HKUZFSALKFLYIJ-UHFFFAOYSA-N 1 1 394.475 3.589 20 5 GHBDMO CCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546971860 1016774954 /nfs/dbraw/zinc/77/49/54/1016774954.db2.gz ASXZNYRVVGUZSZ-LJQANCHMSA-N 1 1 399.491 3.708 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001226890275 1032179081 /nfs/dbraw/zinc/17/90/81/1032179081.db2.gz MESXDSWDZLITLV-FQEVSTJZSA-N 1 1 398.507 3.593 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001227044611 1032250525 /nfs/dbraw/zinc/25/05/25/1032250525.db2.gz OYWWBKWLALCVNF-BEFAXECRSA-N 1 1 384.432 3.671 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1[N+](=O)[O-] ZINC001227339043 1032380755 /nfs/dbraw/zinc/38/07/55/1032380755.db2.gz XOXFWECNWKIZPU-BZUAXINKSA-N 1 1 388.855 3.636 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4CCc5ccccc5[C@@H]4C3)c2c1 ZINC001155092048 1032409982 /nfs/dbraw/zinc/40/99/82/1032409982.db2.gz PYMNEEMMZTXZTB-SFHVURJKSA-N 1 1 395.850 3.611 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4CCc5ccccc5[C@@H]4C3)c2c1 ZINC001155092048 1032409985 /nfs/dbraw/zinc/40/99/85/1032409985.db2.gz PYMNEEMMZTXZTB-SFHVURJKSA-N 1 1 395.850 3.611 20 5 GHBDMO CC[N@@H+]1CC[C@@H](Oc2c(Br)cc(Br)cc2[N+](=O)[O-])C1 ZINC001227639987 1032498287 /nfs/dbraw/zinc/49/82/87/1032498287.db2.gz MGBSZQSIDKJJIR-SECBINFHSA-N 1 1 394.063 3.593 20 5 GHBDMO CC[N@H+]1CC[C@@H](Oc2c(Br)cc(Br)cc2[N+](=O)[O-])C1 ZINC001227639987 1032498294 /nfs/dbraw/zinc/49/82/94/1032498294.db2.gz MGBSZQSIDKJJIR-SECBINFHSA-N 1 1 394.063 3.593 20 5 GHBDMO Cc1ccc(C(=O)c2cc(O)c(O[C@@H]3CC[N@@H+](C(C)C)C3)c([N+](=O)[O-])c2)cc1 ZINC001227701296 1032522363 /nfs/dbraw/zinc/52/23/63/1032522363.db2.gz DORGFCVKFOHRKR-QGZVFWFLSA-N 1 1 384.432 3.701 20 5 GHBDMO Cc1ccc(C(=O)c2cc(O)c(O[C@@H]3CC[N@H+](C(C)C)C3)c([N+](=O)[O-])c2)cc1 ZINC001227701296 1032522371 /nfs/dbraw/zinc/52/23/71/1032522371.db2.gz DORGFCVKFOHRKR-QGZVFWFLSA-N 1 1 384.432 3.701 20 5 GHBDMO COC(=O)c1cccc(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC001227898143 1032676670 /nfs/dbraw/zinc/67/66/70/1032676670.db2.gz YVIRGBZNACFXKT-LFUKPOHLSA-N 1 1 396.443 3.671 20 5 GHBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000561427284 1017855259 /nfs/dbraw/zinc/85/52/59/1017855259.db2.gz GWLOMJIVIYCSJM-HNNXBMFYSA-N 1 1 399.441 3.564 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000931648186 1018018765 /nfs/dbraw/zinc/01/87/65/1018018765.db2.gz KWKLMOIOVJQOPX-JVPBZIDWSA-N 1 1 391.431 3.669 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000931648186 1018018779 /nfs/dbraw/zinc/01/87/79/1018018779.db2.gz KWKLMOIOVJQOPX-JVPBZIDWSA-N 1 1 391.431 3.669 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000934612946 1018915240 /nfs/dbraw/zinc/91/52/40/1018915240.db2.gz YTACLUDIDNODLC-KKUMJFAQSA-N 1 1 379.432 3.612 20 5 GHBDMO CC(C)(C)OC(=O)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000571921564 1019727468 /nfs/dbraw/zinc/72/74/68/1019727468.db2.gz YXHNXEAUUFZODK-VURMDHGXSA-N 1 1 390.480 3.821 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000157933408 1019881140 /nfs/dbraw/zinc/88/11/40/1019881140.db2.gz KLOQSWMWLHBVHF-CJNGLKHVSA-N 1 1 388.493 3.778 20 5 GHBDMO Cc1cc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc(N2CCCC2)[nH+]1 ZINC000575370628 1019935318 /nfs/dbraw/zinc/93/53/18/1019935318.db2.gz CTJBPAKKEVQMFT-UHFFFAOYSA-N 1 1 383.452 3.837 20 5 GHBDMO Cc1c(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC001204496048 1032928367 /nfs/dbraw/zinc/92/83/67/1032928367.db2.gz MAZVHECXDQCCTB-LBPRGKRZSA-N 1 1 399.289 3.660 20 5 GHBDMO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC001204496045 1032928479 /nfs/dbraw/zinc/92/84/79/1032928479.db2.gz MAZVHECXDQCCTB-GFCCVEGCSA-N 1 1 399.289 3.660 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000802658138 1021515617 /nfs/dbraw/zinc/51/56/17/1021515617.db2.gz LDFFDBSFHWZDTP-UHFFFAOYSA-N 1 1 381.335 3.779 20 5 GHBDMO C[NH+]1CCN(c2ccc(Nc3ncnc4cccc([N+](=O)[O-])c43)cc2Cl)CC1 ZINC000754030611 1022433078 /nfs/dbraw/zinc/43/30/78/1022433078.db2.gz CJORZFQQQBAVQF-UHFFFAOYSA-N 1 1 398.854 3.687 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000755162680 1023102711 /nfs/dbraw/zinc/10/27/11/1023102711.db2.gz LRRXWTWNKIEXJB-FYWRMAATSA-N 1 1 376.416 3.809 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1Cl ZINC000836673263 1023237890 /nfs/dbraw/zinc/23/78/90/1023237890.db2.gz MYYFVTWEVYHYHA-AWEZNQCLSA-N 1 1 375.856 3.807 20 5 GHBDMO C[C@@H](C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000755745508 1023359811 /nfs/dbraw/zinc/35/98/11/1023359811.db2.gz DUVNVGARBSJWOT-UKRRQHHQSA-N 1 1 376.384 3.638 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1Cl ZINC000836780758 1023362390 /nfs/dbraw/zinc/36/23/90/1023362390.db2.gz IDTPTZZIGMJMIL-CQSZACIVSA-N 1 1 375.856 3.807 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000836921458 1023468666 /nfs/dbraw/zinc/46/86/66/1023468666.db2.gz ZZBASCXVBAIXKV-OAHLLOKOSA-N 1 1 385.439 3.636 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)CCc3cccc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000756283650 1023577427 /nfs/dbraw/zinc/57/74/27/1023577427.db2.gz FHQODQXAHHYTOH-PGRDOPGGSA-N 1 1 398.459 3.772 20 5 GHBDMO COc1ccc(OC)c([C@H](O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000831539720 1024630866 /nfs/dbraw/zinc/63/08/66/1024630866.db2.gz VKJNVHVSESSOKV-OXJNMPFZSA-N 1 1 386.448 3.525 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001229059560 1033254386 /nfs/dbraw/zinc/25/43/86/1033254386.db2.gz QRODTCNTJGUDMH-INIZCTEOSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001229059560 1033254398 /nfs/dbraw/zinc/25/43/98/1033254398.db2.gz QRODTCNTJGUDMH-INIZCTEOSA-N 1 1 388.395 3.564 20 5 GHBDMO Cc1ncc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1 ZINC001162032640 1025551291 /nfs/dbraw/zinc/55/12/91/1025551291.db2.gz PFXFVEFNQOKURB-UHFFFAOYSA-N 1 1 395.385 3.789 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000839092305 1025590866 /nfs/dbraw/zinc/59/08/66/1025590866.db2.gz QYNXKGCPOUKVPJ-HOCLYGCPSA-N 1 1 393.484 3.586 20 5 GHBDMO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1ccc([S@](C)=O)cc1 ZINC000839544459 1026038574 /nfs/dbraw/zinc/03/85/74/1026038574.db2.gz SWPLPJYFEGFQJR-BGJPBQGDSA-N 1 1 397.294 3.946 20 5 GHBDMO Cc1ccnc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3Br)CC2)n1 ZINC000839556732 1026055366 /nfs/dbraw/zinc/05/53/66/1026055366.db2.gz PPKABYMQOOOZEK-UHFFFAOYSA-N 1 1 391.269 3.835 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1Br ZINC000839562103 1026059948 /nfs/dbraw/zinc/05/99/48/1026059948.db2.gz ZLGFWVFDYOQRQI-SFHVURJKSA-N 1 1 389.249 3.989 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1Br ZINC000839562103 1026059964 /nfs/dbraw/zinc/05/99/64/1026059964.db2.gz ZLGFWVFDYOQRQI-SFHVURJKSA-N 1 1 389.249 3.989 20 5 GHBDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)[C@@H](O)c1ccccc1 ZINC000839607163 1026105579 /nfs/dbraw/zinc/10/55/79/1026105579.db2.gz WPGNZGLUDZFMAJ-ORAYPTAESA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)[C@@H](O)c1ccccc1 ZINC000839607163 1026105590 /nfs/dbraw/zinc/10/55/90/1026105590.db2.gz WPGNZGLUDZFMAJ-ORAYPTAESA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000839607155 1026107015 /nfs/dbraw/zinc/10/70/15/1026107015.db2.gz WPGNZGLUDZFMAJ-BFUOFWGJSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000839607155 1026107024 /nfs/dbraw/zinc/10/70/24/1026107024.db2.gz WPGNZGLUDZFMAJ-BFUOFWGJSA-N 1 1 391.855 3.631 20 5 GHBDMO C[C@@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000839863990 1026319094 /nfs/dbraw/zinc/31/90/94/1026319094.db2.gz MPHZKDIWFPHAOW-DDIVZENXSA-N 1 1 391.365 3.715 20 5 GHBDMO C[C@@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000839863990 1026319104 /nfs/dbraw/zinc/31/91/04/1026319104.db2.gz MPHZKDIWFPHAOW-DDIVZENXSA-N 1 1 391.365 3.715 20 5 GHBDMO CC(=O)NCc1nnn2c1C[N@@H+](Cc1c3ccccc3cc3ccccc31)CCC2 ZINC001141724664 1026349205 /nfs/dbraw/zinc/34/92/05/1026349205.db2.gz NSSQFVNPCPHMFM-UHFFFAOYSA-N 1 1 399.498 3.627 20 5 GHBDMO Cc1cc(N2CC[N@@H+](C3CCCC3)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164146243 1026432396 /nfs/dbraw/zinc/43/23/96/1026432396.db2.gz RCDMABWPMGAFCP-MRXNPFEDSA-N 1 1 381.480 3.813 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001165183855 1026652613 /nfs/dbraw/zinc/65/26/13/1026652613.db2.gz SSPVSMFRIBAXOD-BEFAXECRSA-N 1 1 379.464 3.818 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001165606592 1026776359 /nfs/dbraw/zinc/77/63/59/1026776359.db2.gz QUPKILJYFCAPLB-OAQYLSRUSA-N 1 1 395.503 3.648 20 5 GHBDMO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1cccc([N+](=O)[O-])c1F ZINC001210386455 1027483035 /nfs/dbraw/zinc/48/30/35/1027483035.db2.gz TWWFAURTFVBHGJ-UHFFFAOYSA-N 1 1 386.383 3.643 20 5 GHBDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC001461599673 1069633007 /nfs/dbraw/zinc/63/30/07/1069633007.db2.gz LBYXUYACACAWQN-HNNXBMFYSA-N 1 1 391.855 3.997 20 5 GHBDMO Clc1c2ccccc2c(C[N@@H+]2CCOC[C@@]3(CNCCO3)C2)c2ccccc12 ZINC001222191632 1029995175 /nfs/dbraw/zinc/99/51/75/1029995175.db2.gz OALHWIRUSKIUPC-HSZRJFAPSA-N 1 1 396.918 3.837 20 5 GHBDMO Clc1c2ccccc2c(C[N@H+]2CCOC[C@@]3(CNCCO3)C2)c2ccccc12 ZINC001222191632 1029995179 /nfs/dbraw/zinc/99/51/79/1029995179.db2.gz OALHWIRUSKIUPC-HSZRJFAPSA-N 1 1 396.918 3.837 20 5 GHBDMO COC(=O)c1ccc(CO[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001223412172 1030563601 /nfs/dbraw/zinc/56/36/01/1030563601.db2.gz YKLCJXVEUNWHAC-IIBYNOLFSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001223448016 1030579350 /nfs/dbraw/zinc/57/93/50/1030579350.db2.gz FBHJIQFCGCMZIS-QAPCUYQASA-N 1 1 399.447 3.519 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4CCC[NH2+]C[C@@H]4F)ccc3c21 ZINC001217950169 1030682083 /nfs/dbraw/zinc/68/20/83/1030682083.db2.gz XYPKQJQSUDZEKG-HOTGVXAUSA-N 1 1 383.375 3.867 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4C[NH2+]CCC[C@@H]4F)ccc3c21 ZINC001217973889 1030698871 /nfs/dbraw/zinc/69/88/71/1030698871.db2.gz CSXVGFYZHLPBRB-YJBOKZPZSA-N 1 1 383.375 3.867 20 5 GHBDMO O=[N+]([O-])c1ccc(CO[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c([N+](=O)[O-])c1 ZINC001224098717 1030884011 /nfs/dbraw/zinc/88/40/11/1030884011.db2.gz AVSHXHWKRWHFMF-OZOXKJRCSA-N 1 1 397.431 3.930 20 5 GHBDMO C[C@@H](Oc1ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC001218316683 1030889792 /nfs/dbraw/zinc/88/97/92/1030889792.db2.gz DAQSVGRTHLTGFN-KDOFPFPSSA-N 1 1 386.448 3.946 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COCCc2ccc([N+](=O)[O-])cc2)O1 ZINC001224333245 1030971405 /nfs/dbraw/zinc/97/14/05/1030971405.db2.gz CWPOLRJHFSXJBC-OAQYLSRUSA-N 1 1 384.476 3.834 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCO[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001224778447 1031116722 /nfs/dbraw/zinc/11/67/22/1031116722.db2.gz LOJHRADZJPBICQ-VLCRHTCISA-N 1 1 382.460 3.901 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001225451796 1031421560 /nfs/dbraw/zinc/42/15/60/1031421560.db2.gz UUOOMZWIEGIINZ-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001225451796 1031421571 /nfs/dbraw/zinc/42/15/71/1031421571.db2.gz UUOOMZWIEGIINZ-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO Cc1ccc(N2CCC[C@H](Oc3ncc(Br)cc3[N+](=O)[O-])C2)[nH+]c1 ZINC001225750252 1031580539 /nfs/dbraw/zinc/58/05/39/1031580539.db2.gz KVVGXPHYLPJKQS-ZDUSSCGKSA-N 1 1 393.241 3.504 20 5 GHBDMO Cc1ccc(N2CCC[C@H](Oc3ncc(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH+]c1 ZINC001225848517 1031649647 /nfs/dbraw/zinc/64/96/47/1031649647.db2.gz ZFJYRPZRZYQWJD-ZDUSSCGKSA-N 1 1 382.342 3.760 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225893084 1031679423 /nfs/dbraw/zinc/67/94/23/1031679423.db2.gz LSVWPERXVFNVRI-WCQYABFASA-N 1 1 382.342 3.618 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001225953035 1031712145 /nfs/dbraw/zinc/71/21/45/1031712145.db2.gz IFEIEVKUPZIHGT-MRXNPFEDSA-N 1 1 396.365 3.893 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001225953035 1031712162 /nfs/dbraw/zinc/71/21/62/1031712162.db2.gz IFEIEVKUPZIHGT-MRXNPFEDSA-N 1 1 396.365 3.893 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2c(F)c(F)ccc2[N+](=O)[O-])O1 ZINC001225964077 1031719234 /nfs/dbraw/zinc/71/92/34/1031719234.db2.gz WKVPMHNJJDDDOJ-OAHLLOKOSA-N 1 1 392.402 3.931 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2c(F)c(F)ccc2[N+](=O)[O-])O1 ZINC001225964077 1031719245 /nfs/dbraw/zinc/71/92/45/1031719245.db2.gz WKVPMHNJJDDDOJ-OAHLLOKOSA-N 1 1 392.402 3.931 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001157060079 1033394164 /nfs/dbraw/zinc/39/41/64/1033394164.db2.gz SMSFUVIUCOAWKK-UHFFFAOYSA-N 1 1 378.835 3.883 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(-n3ccc(C[NH2+]Cc4ccccc4)n3)nn2)cc1 ZINC001157612647 1033691259 /nfs/dbraw/zinc/69/12/59/1033691259.db2.gz WUXPIBHFASKFLQ-UHFFFAOYSA-N 1 1 386.415 3.527 20 5 GHBDMO C[NH+](C)CC(=O)Nc1ccc2nc(OC[C@@H]3CCC=CO3)c3ccccc3c2c1 ZINC001229807091 1033730760 /nfs/dbraw/zinc/73/07/60/1033730760.db2.gz FKBMXMMGACREGQ-KRWDZBQOSA-N 1 1 391.471 3.960 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001229959823 1033818368 /nfs/dbraw/zinc/81/83/68/1033818368.db2.gz GRUXQGRNIKUFLV-HZPDHXFCSA-N 1 1 399.447 3.689 20 5 GHBDMO CCCC[C@@](CC)(Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C(=O)OCC ZINC001160058797 1034846906 /nfs/dbraw/zinc/84/69/06/1034846906.db2.gz LXEINLZLYCIOMV-FMAYLGMYSA-N 1 1 378.473 3.836 20 5 GHBDMO C[NH+](C)/C=C/c1cc(NCc2ccccc2OC2CCOCC2)ncc1[N+](=O)[O-] ZINC001160194330 1034898431 /nfs/dbraw/zinc/89/84/31/1034898431.db2.gz PIODBTSLAVUADG-JXMROGBWSA-N 1 1 398.463 3.692 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000434992068 1035092400 /nfs/dbraw/zinc/09/24/00/1035092400.db2.gz SFLZEVVIQFBRJE-INIZCTEOSA-N 1 1 382.464 3.572 20 5 GHBDMO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)C1 ZINC001161049912 1035126125 /nfs/dbraw/zinc/12/61/25/1035126125.db2.gz JINSRZGHARTRPA-RDPSFJRHSA-N 1 1 389.543 3.804 20 5 GHBDMO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)C1 ZINC001161049912 1035126131 /nfs/dbraw/zinc/12/61/31/1035126131.db2.gz JINSRZGHARTRPA-RDPSFJRHSA-N 1 1 389.543 3.804 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@@H+](Cc4cccc(Cl)c4)C3)cnc2c1 ZINC001161183090 1035169208 /nfs/dbraw/zinc/16/92/08/1035169208.db2.gz PCSHVWYCJNPIBW-HNNXBMFYSA-N 1 1 383.839 3.878 20 5 GHBDMO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001161887751 1035322211 /nfs/dbraw/zinc/32/22/11/1035322211.db2.gz LGCXUKYKJFTEEF-CYBMUJFWSA-N 1 1 398.221 3.827 20 5 GHBDMO COc1ccccc1C1(N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[NH2+]CC1 ZINC001246376020 1037332221 /nfs/dbraw/zinc/33/22/21/1037332221.db2.gz JZKIBPTXMGSTKC-IBGZPJMESA-N 1 1 395.503 3.719 20 5 GHBDMO COc1ccc(CN([C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)cc1 ZINC001246968712 1037791942 /nfs/dbraw/zinc/79/19/42/1037791942.db2.gz XDHALPYZBKTCIX-QGZVFWFLSA-N 1 1 383.492 3.789 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1Cc3ccccc3C13CCNCC3)CC2 ZINC001247011424 1037834858 /nfs/dbraw/zinc/83/48/58/1037834858.db2.gz RYWURDPOHVTIFD-FQEVSTJZSA-N 1 1 377.488 3.937 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1Cc3ccccc3C13CCNCC3)CC2 ZINC001247011424 1037834870 /nfs/dbraw/zinc/83/48/70/1037834870.db2.gz RYWURDPOHVTIFD-FQEVSTJZSA-N 1 1 377.488 3.937 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[nH]nc2-c1nc2c(cccc2F)n1C1CC[NH2+]CC1 ZINC001247026619 1037847046 /nfs/dbraw/zinc/84/70/46/1037847046.db2.gz MWRFAWYRWUQDER-UHFFFAOYSA-N 1 1 380.383 3.551 20 5 GHBDMO Cc1cc2ccccc2nc1-c1noc([C@@H]([NH3+])Cc2ccccc2[N+](=O)[O-])n1 ZINC001247671319 1038307125 /nfs/dbraw/zinc/30/71/25/1038307125.db2.gz AATJOYKFFBXUET-HNNXBMFYSA-N 1 1 375.388 3.744 20 5 GHBDMO O=[N+]([O-])c1c(F)cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC001233752260 1039590742 /nfs/dbraw/zinc/59/07/42/1039590742.db2.gz CDDSRGHLJFCBHS-INIZCTEOSA-N 1 1 378.375 3.543 20 5 GHBDMO C[C@@H](Oc1c2cccnc2ccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233778089 1039609779 /nfs/dbraw/zinc/60/97/79/1039609779.db2.gz FXYQOWIHULODNT-IERDGZPVSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@@H](Oc1c2cccnc2ccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233778089 1039609788 /nfs/dbraw/zinc/60/97/88/1039609788.db2.gz FXYQOWIHULODNT-IERDGZPVSA-N 1 1 393.443 3.811 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(Nc4ccccc4)CC3)n2)cc1 ZINC001253418866 1039616262 /nfs/dbraw/zinc/61/62/62/1039616262.db2.gz KHVDCVASDNZGLY-UHFFFAOYSA-N 1 1 379.420 3.721 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001233985496 1039744874 /nfs/dbraw/zinc/74/48/74/1039744874.db2.gz YVWBRFDHNQIWKD-WMZOPIPTSA-N 1 1 385.464 3.514 20 5 GHBDMO CC(C)(C)OC(=O)Nc1ccc(OC2CC[NH+](CCF)CC2)cc1[N+](=O)[O-] ZINC001234536888 1040109789 /nfs/dbraw/zinc/10/97/89/1040109789.db2.gz ZSICAWYHPWMMAM-UHFFFAOYSA-N 1 1 383.420 3.755 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC001254469888 1040254905 /nfs/dbraw/zinc/25/49/05/1040254905.db2.gz BAFNCYXMJNRGNU-GOSISDBHSA-N 1 1 391.512 3.910 20 5 GHBDMO COC(C[N@@H+](Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC001254473310 1040259712 /nfs/dbraw/zinc/25/97/12/1040259712.db2.gz ACBFZCFWZRTNDN-UHFFFAOYSA-N 1 1 399.491 3.685 20 5 GHBDMO COc1c(O)ccc2c(=O)c3c(O[C@@H]4CCC[N@@H+](C(C)C)C4)cc(O)cc3oc21 ZINC001234752130 1040279093 /nfs/dbraw/zinc/27/90/93/1040279093.db2.gz UZNFWWABHCWBSC-CQSZACIVSA-N 1 1 399.443 3.618 20 5 GHBDMO COc1c(O)ccc2c(=O)c3c(O[C@@H]4CCC[N@H+](C(C)C)C4)cc(O)cc3oc21 ZINC001234752130 1040279104 /nfs/dbraw/zinc/27/91/04/1040279104.db2.gz UZNFWWABHCWBSC-CQSZACIVSA-N 1 1 399.443 3.618 20 5 GHBDMO CN1CCC[C@@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)CC1 ZINC001254514597 1040289499 /nfs/dbraw/zinc/28/94/99/1040289499.db2.gz MWUQTGVHHVFNCR-GOSISDBHSA-N 1 1 390.531 3.582 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001254550787 1040318363 /nfs/dbraw/zinc/31/83/63/1040318363.db2.gz QXBHSAQGCQILEZ-JKSUJKDBSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001254557410 1040327591 /nfs/dbraw/zinc/32/75/91/1040327591.db2.gz PWOSNFAEFZQTLJ-OAHLLOKOSA-N 1 1 394.431 3.546 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001254557410 1040327607 /nfs/dbraw/zinc/32/76/07/1040327607.db2.gz PWOSNFAEFZQTLJ-OAHLLOKOSA-N 1 1 394.431 3.546 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001254559970 1040331925 /nfs/dbraw/zinc/33/19/25/1040331925.db2.gz DFNFAXOKVQBKBW-YWZLYKJASA-N 1 1 385.489 3.716 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254563846 1040338479 /nfs/dbraw/zinc/33/84/79/1040338479.db2.gz FCHQDQYNZXUTLD-NUJGCVRESA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001254563534 1040339034 /nfs/dbraw/zinc/33/90/34/1040339034.db2.gz YDPFTQJNKMNLFR-HZPDHXFCSA-N 1 1 377.485 3.763 20 5 GHBDMO [NH3+]C1(Cc2ccccc2Cl)CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254585113 1040359369 /nfs/dbraw/zinc/35/93/69/1040359369.db2.gz KFGFFHBEHZCKTR-IBGZPJMESA-N 1 1 385.895 3.751 20 5 GHBDMO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588418 1040362159 /nfs/dbraw/zinc/36/21/59/1040362159.db2.gz FUNFBZXXPKMION-WTNAPCKOSA-N 1 1 379.504 3.810 20 5 GHBDMO [NH3+]C1(Cc2cccc(Cl)c2)CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254588451 1040362649 /nfs/dbraw/zinc/36/26/49/1040362649.db2.gz YVFFGXVBQBNBNB-FQEVSTJZSA-N 1 1 385.895 3.751 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]31)C2 ZINC001254594025 1040365995 /nfs/dbraw/zinc/36/59/95/1040365995.db2.gz PLMGEEYHCOLVJN-CIAFKFPVSA-N 1 1 386.492 3.501 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]31)C2 ZINC001254594025 1040366012 /nfs/dbraw/zinc/36/60/12/1040366012.db2.gz PLMGEEYHCOLVJN-CIAFKFPVSA-N 1 1 386.492 3.501 20 5 GHBDMO CN(C[C@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)C(=O)OC(C)(C)C ZINC001254596410 1040369218 /nfs/dbraw/zinc/36/92/18/1040369218.db2.gz DKRQGPBIRVYCOK-BEFAXECRSA-N 1 1 389.496 3.641 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001255322283 1040946514 /nfs/dbraw/zinc/94/65/14/1040946514.db2.gz TYYQHNMFQBYRPH-KRWDZBQOSA-N 1 1 396.491 3.962 20 5 GHBDMO O=[N+]([O-])c1cc2n[nH]cc2c(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255405127 1040993159 /nfs/dbraw/zinc/99/31/59/1040993159.db2.gz KIWOOZLIEYQCHV-CQSZACIVSA-N 1 1 390.403 3.511 20 5 GHBDMO O=[N+]([O-])c1cc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c(F)cc1F ZINC001255477454 1041077074 /nfs/dbraw/zinc/07/70/74/1041077074.db2.gz FHYLQOIDEGASGS-ZDUSSCGKSA-N 1 1 386.358 3.913 20 5 GHBDMO COC(=O)[C@H]1CN(Cc2c3ccccc3c(Cl)c3ccccc32)CC[C@@H]1[NH3+] ZINC001236414677 1041706552 /nfs/dbraw/zinc/70/65/52/1041706552.db2.gz LWJPZFKWMVQDDH-PMACEKPBSA-N 1 1 382.891 3.969 20 5 GHBDMO CCCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCC[C@@H]1C ZINC001294181336 1044510232 /nfs/dbraw/zinc/51/02/32/1044510232.db2.gz HIEUENZXKLGZSJ-INIZCTEOSA-N 1 1 386.500 3.574 20 5 GHBDMO CC[C@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC001296188580 1045276796 /nfs/dbraw/zinc/27/67/96/1045276796.db2.gz LSLMSDRKNJYXFW-AEFFLSMTSA-N 1 1 399.466 3.960 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001297116995 1045456491 /nfs/dbraw/zinc/45/64/91/1045456491.db2.gz QOGWXCSOCZIGJH-CQSZACIVSA-N 1 1 383.851 3.914 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)c21 ZINC000612451314 1047543874 /nfs/dbraw/zinc/54/38/74/1047543874.db2.gz TWVURJJIEKHWHM-KZNAEPCWSA-N 1 1 389.459 3.861 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001265828929 1047680732 /nfs/dbraw/zinc/68/07/32/1047680732.db2.gz VSSSFSLBPPOHHB-QGZVFWFLSA-N 1 1 385.439 3.779 20 5 GHBDMO CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(C)CC1 ZINC001306682527 1048810111 /nfs/dbraw/zinc/81/01/11/1048810111.db2.gz JXQHYTKPMHZAAD-UHFFFAOYSA-N 1 1 398.511 3.742 20 5 GHBDMO Cn1c2ccccc2c(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1=O ZINC001307106188 1049078036 /nfs/dbraw/zinc/07/80/36/1049078036.db2.gz CHOBNTKIFFPTIN-INIZCTEOSA-N 1 1 384.480 3.656 20 5 GHBDMO COc1c(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001288424935 1049086621 /nfs/dbraw/zinc/08/66/21/1049086621.db2.gz NRXXOPUZNYNFQP-SFHVURJKSA-N 1 1 397.475 3.730 20 5 GHBDMO CCC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC001307592604 1049430728 /nfs/dbraw/zinc/43/07/28/1049430728.db2.gz OYXBPXBCPUZLHL-HNNXBMFYSA-N 1 1 390.311 3.834 20 5 GHBDMO CCC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001307661034 1049485369 /nfs/dbraw/zinc/48/53/69/1049485369.db2.gz NIXWFOLVJDKCKL-AWEZNQCLSA-N 1 1 391.493 3.947 20 5 GHBDMO CCC[N@@H+](CCc1cccs1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001307661035 1049485843 /nfs/dbraw/zinc/48/58/43/1049485843.db2.gz NIXWFOLVJDKCKL-CQSZACIVSA-N 1 1 391.493 3.947 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307817872 1049613196 /nfs/dbraw/zinc/61/31/96/1049613196.db2.gz NAPQIBDRXIKLKX-ZFWWWQNUSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001307893047 1049671647 /nfs/dbraw/zinc/67/16/47/1049671647.db2.gz DOUGUJDWLLNLCE-GVDBMIGSSA-N 1 1 398.463 3.986 20 5 GHBDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001308057481 1049806401 /nfs/dbraw/zinc/80/64/01/1049806401.db2.gz OKFFBYDIXKKNAS-LEWJYISDSA-N 1 1 387.455 3.536 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001290803716 1049928315 /nfs/dbraw/zinc/92/83/15/1049928315.db2.gz OYMUYVIHSUQULH-LJQANCHMSA-N 1 1 397.475 3.776 20 5 GHBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC001308663240 1050052594 /nfs/dbraw/zinc/05/25/94/1050052594.db2.gz MVFDZPKYTXVKAP-AWEZNQCLSA-N 1 1 382.338 3.885 20 5 GHBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC001308663240 1050052597 /nfs/dbraw/zinc/05/25/97/1050052597.db2.gz MVFDZPKYTXVKAP-AWEZNQCLSA-N 1 1 382.338 3.885 20 5 GHBDMO CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001308773592 1050089133 /nfs/dbraw/zinc/08/91/33/1050089133.db2.gz ICKCBTHWYVIXPB-KRWDZBQOSA-N 1 1 375.469 3.641 20 5 GHBDMO C[C@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[N@H+](C2CCC2)C1 ZINC001328025521 1050363372 /nfs/dbraw/zinc/36/33/72/1050363372.db2.gz BQOLDBIMGNWMKD-GFCCVEGCSA-N 1 1 375.860 3.502 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC2)cc1 ZINC001310799224 1051598718 /nfs/dbraw/zinc/59/87/18/1051598718.db2.gz HHJTVIFNLDSURY-UHFFFAOYSA-N 1 1 386.427 3.782 20 5 GHBDMO Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1[N+](=O)[O-] ZINC001313156994 1052971685 /nfs/dbraw/zinc/97/16/85/1052971685.db2.gz TZMBMNDUVLBUQX-LJQANCHMSA-N 1 1 388.512 3.747 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(Br)c1 ZINC001342948730 1053452635 /nfs/dbraw/zinc/45/26/35/1053452635.db2.gz FZIOTOSLWAEVLR-KBPBESRZSA-N 1 1 383.286 3.996 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001317976528 1054336807 /nfs/dbraw/zinc/33/68/07/1054336807.db2.gz LTKBFMFEGANCOJ-SFHVURJKSA-N 1 1 396.491 3.882 20 5 GHBDMO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[nH+]1 ZINC001318964339 1054968351 /nfs/dbraw/zinc/96/83/51/1054968351.db2.gz YLUHFZYNSNPQJR-INIZCTEOSA-N 1 1 380.404 3.761 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(F)cc(C)c3[N+](=O)[O-])CC2)cc1 ZINC001319165109 1055073830 /nfs/dbraw/zinc/07/38/30/1055073830.db2.gz XJDZGFYRFOLCQY-UHFFFAOYSA-N 1 1 385.439 3.699 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC001319925129 1055544317 /nfs/dbraw/zinc/54/43/17/1055544317.db2.gz CAOXBRSMMPPLFR-INIZCTEOSA-N 1 1 385.464 3.803 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001320012742 1055595874 /nfs/dbraw/zinc/59/58/74/1055595874.db2.gz VQUVDGUQOCYZFT-OAHLLOKOSA-N 1 1 393.447 3.679 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC001320433298 1055802025 /nfs/dbraw/zinc/80/20/25/1055802025.db2.gz BVVBGYXJMCTHDP-UHFFFAOYSA-N 1 1 386.427 3.782 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)c1ccc([S@@](C)=O)cc1 ZINC001320530676 1055862808 /nfs/dbraw/zinc/86/28/08/1055862808.db2.gz AZWBRTOROWXTNG-BSNNYGBQSA-N 1 1 397.294 3.946 20 5 GHBDMO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001354382729 1056580357 /nfs/dbraw/zinc/58/03/57/1056580357.db2.gz KKXOLJPDBUDRED-AWEZNQCLSA-N 1 1 380.452 3.874 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)c(Br)c1 ZINC001322617401 1056772379 /nfs/dbraw/zinc/77/23/79/1056772379.db2.gz ZHHAABJSKYLAOR-SFHVURJKSA-N 1 1 391.265 3.671 20 5 GHBDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001324538186 1057158919 /nfs/dbraw/zinc/15/89/19/1057158919.db2.gz XBVIFGASNKXUHR-AWEZNQCLSA-N 1 1 389.839 3.705 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC001325159677 1057282286 /nfs/dbraw/zinc/28/22/86/1057282286.db2.gz WCMISTKAIQWYQM-UHFFFAOYSA-N 1 1 377.448 3.559 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001454409360 1061768358 /nfs/dbraw/zinc/76/83/58/1061768358.db2.gz VJIDXFTZLLZHPD-HNAYVOBHSA-N 1 1 392.459 3.717 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)o1 ZINC001347443494 1062388068 /nfs/dbraw/zinc/38/80/68/1062388068.db2.gz ZYEZRROXIQTUKM-NSHDSACASA-N 1 1 386.782 3.958 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001435209156 1062390148 /nfs/dbraw/zinc/39/01/48/1062390148.db2.gz ZZYKIRGQLNLZOE-MRXNPFEDSA-N 1 1 385.439 3.779 20 5 GHBDMO COc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001347522503 1062464532 /nfs/dbraw/zinc/46/45/32/1062464532.db2.gz QQJDYMRBKIFBAX-INIZCTEOSA-N 1 1 398.463 3.589 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001457999766 1063497210 /nfs/dbraw/zinc/49/72/10/1063497210.db2.gz KEVVXELHCPAXKG-HOTGVXAUSA-N 1 1 385.439 3.777 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001457999766 1063497222 /nfs/dbraw/zinc/49/72/22/1063497222.db2.gz KEVVXELHCPAXKG-HOTGVXAUSA-N 1 1 385.439 3.777 20 5 GHBDMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001458044032 1063524188 /nfs/dbraw/zinc/52/41/88/1063524188.db2.gz GGKIZFBRUDVLGP-HNNXBMFYSA-N 1 1 382.851 3.905 20 5 GHBDMO O=[N+]([O-])c1c(Br)cccc1NCC[N@H+]1CCc2ccccc2C1 ZINC001458097356 1063564254 /nfs/dbraw/zinc/56/42/54/1063564254.db2.gz BKADALBAOLFPSU-UHFFFAOYSA-N 1 1 376.254 3.828 20 5 GHBDMO Cc1nc(NCCC[NH+]2CCN(c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC001458129715 1063587689 /nfs/dbraw/zinc/58/76/89/1063587689.db2.gz FLTLOMBXUZXTTE-UHFFFAOYSA-N 1 1 389.887 3.576 20 5 GHBDMO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1F ZINC001458282603 1063718386 /nfs/dbraw/zinc/71/83/86/1063718386.db2.gz IJHHONOWXLOIQF-ILZDJORESA-N 1 1 399.466 3.939 20 5 GHBDMO CC(C)N(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001437030140 1063744867 /nfs/dbraw/zinc/74/48/67/1063744867.db2.gz NUYAWNFQIQPQKN-HXUWFJFHSA-N 1 1 399.466 3.788 20 5 GHBDMO Cc1ccc(NCCNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)[nH+]c1 ZINC001458626660 1063909593 /nfs/dbraw/zinc/90/95/93/1063909593.db2.gz SRESJBLXLXBLCV-UHFFFAOYSA-N 1 1 379.420 3.796 20 5 GHBDMO CN(C)c1ccc(COC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001458845228 1063947139 /nfs/dbraw/zinc/94/71/39/1063947139.db2.gz VLNDJMWZUPIRKG-LJQANCHMSA-N 1 1 397.475 3.616 20 5 GHBDMO COc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001350142731 1064002018 /nfs/dbraw/zinc/00/20/18/1064002018.db2.gz ILLMYBOIPVHPDR-KRWDZBQOSA-N 1 1 398.463 3.637 20 5 GHBDMO C[C@]12CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001439112269 1064178112 /nfs/dbraw/zinc/17/81/12/1064178112.db2.gz YAEHRSBHEHGTHK-UTKZUKDTSA-N 1 1 399.878 3.842 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)o1 ZINC001460035939 1064364181 /nfs/dbraw/zinc/36/41/81/1064364181.db2.gz BGGYKAMKVFXJEO-YXJHDRRASA-N 1 1 386.452 3.550 20 5 GHBDMO CCNc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc1[N+](=O)[O-] ZINC001357702180 1067235768 /nfs/dbraw/zinc/23/57/68/1067235768.db2.gz SFMHDBSPHFTHOJ-QGZVFWFLSA-N 1 1 380.448 3.651 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849349802 1067816030 /nfs/dbraw/zinc/81/60/30/1067816030.db2.gz HFSHVORVHACRFT-CQSZACIVSA-N 1 1 382.302 3.569 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001469413323 1068151267 /nfs/dbraw/zinc/15/12/67/1068151267.db2.gz VRWBVCDUDDEUKI-IRWQIABSSA-N 1 1 386.427 3.540 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001469413327 1068151415 /nfs/dbraw/zinc/15/14/15/1068151415.db2.gz VRWBVCDUDDEUKI-SOVGHPHASA-N 1 1 386.427 3.540 20 5 GHBDMO CC[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC[N@H+]1Cc1ccccc1 ZINC001469776771 1068381216 /nfs/dbraw/zinc/38/12/16/1068381216.db2.gz JVLANZVIAZGLNK-HXUWFJFHSA-N 1 1 396.491 3.709 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001360640512 1068588008 /nfs/dbraw/zinc/58/80/08/1068588008.db2.gz YBJSIEBWICZKTH-WIYYLYMNSA-N 1 1 395.503 3.896 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001360640512 1068588017 /nfs/dbraw/zinc/58/80/17/1068588017.db2.gz YBJSIEBWICZKTH-WIYYLYMNSA-N 1 1 395.503 3.896 20 5 GHBDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001460084785 1068771847 /nfs/dbraw/zinc/77/18/47/1068771847.db2.gz OEHQGYDAGXLSIZ-JXFKEZNVSA-N 1 1 379.460 3.957 20 5 GHBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001460301388 1068914091 /nfs/dbraw/zinc/91/40/91/1068914091.db2.gz VLIRYNZIMBAAMP-OAQYLSRUSA-N 1 1 383.492 3.959 20 5 GHBDMO CC(C)N(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001460301388 1068914093 /nfs/dbraw/zinc/91/40/93/1068914093.db2.gz VLIRYNZIMBAAMP-OAQYLSRUSA-N 1 1 383.492 3.959 20 5 GHBDMO CC(C)N(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001460301388 1068914099 /nfs/dbraw/zinc/91/40/99/1068914099.db2.gz VLIRYNZIMBAAMP-OAQYLSRUSA-N 1 1 383.492 3.959 20 5 GHBDMO COC[C@H](C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC001460578076 1069006095 /nfs/dbraw/zinc/00/60/95/1069006095.db2.gz PEHGNRZDVULBQE-KKSFZXQISA-N 1 1 397.475 3.948 20 5 GHBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001460625509 1069041048 /nfs/dbraw/zinc/04/10/48/1069041048.db2.gz BQZXYSNMBWPDSM-OAHLLOKOSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001460625509 1069041076 /nfs/dbraw/zinc/04/10/76/1069041076.db2.gz BQZXYSNMBWPDSM-OAHLLOKOSA-N 1 1 385.247 3.773 20 5 GHBDMO C[C@]12CN(CCOc3cccc([N+](=O)[O-])c3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001460634938 1069044856 /nfs/dbraw/zinc/04/48/56/1069044856.db2.gz DQEMKLSCORSCOW-ZRZAMGCNSA-N 1 1 395.503 3.818 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001460857430 1069227743 /nfs/dbraw/zinc/22/77/43/1069227743.db2.gz DGODEAAKZDJCOG-NCWRXXFHSA-N 1 1 375.856 3.719 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001460857430 1069227750 /nfs/dbraw/zinc/22/77/50/1069227750.db2.gz DGODEAAKZDJCOG-NCWRXXFHSA-N 1 1 375.856 3.719 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001460866082 1069236209 /nfs/dbraw/zinc/23/62/09/1069236209.db2.gz SBIHESSJIYUAJK-GFKBIBDCSA-N 1 1 377.872 3.943 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001460866082 1069236217 /nfs/dbraw/zinc/23/62/17/1069236217.db2.gz SBIHESSJIYUAJK-GFKBIBDCSA-N 1 1 377.872 3.943 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001470776325 1072732409 /nfs/dbraw/zinc/73/24/09/1072732409.db2.gz GYLFFPHPPXJDHL-YWZLYKJASA-N 1 1 381.476 3.852 20 5 GHBDMO Cc1ccc(CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001471083600 1072916043 /nfs/dbraw/zinc/91/60/43/1072916043.db2.gz QWQSZEIDSDDCAU-SFHVURJKSA-N 1 1 396.491 3.709 20 5 GHBDMO C[C@@H]1[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001472799165 1073670614 /nfs/dbraw/zinc/67/06/14/1073670614.db2.gz LDDBIYSPLIQVFK-KDOFPFPSSA-N 1 1 380.423 3.779 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC001472851992 1073693589 /nfs/dbraw/zinc/69/35/89/1073693589.db2.gz SHMWJHPVSRPTBW-AEFFLSMTSA-N 1 1 376.460 3.745 20 5 GHBDMO CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001473109600 1073784322 /nfs/dbraw/zinc/78/43/22/1073784322.db2.gz WEXYPTJQCUTTNJ-KRWDZBQOSA-N 1 1 378.856 3.899 20 5 GHBDMO C[C@@H](C1CC1)[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC001473132612 1073797386 /nfs/dbraw/zinc/79/73/86/1073797386.db2.gz CRNWKTARFJJTPR-JTQLQIEISA-N 1 1 386.233 3.962 20 5 GHBDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473190864 1073843649 /nfs/dbraw/zinc/84/36/49/1073843649.db2.gz VBPLHVRUEGCINY-LIRRHRJNSA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473190864 1073843658 /nfs/dbraw/zinc/84/36/58/1073843658.db2.gz VBPLHVRUEGCINY-LIRRHRJNSA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC001473205634 1073857844 /nfs/dbraw/zinc/85/78/44/1073857844.db2.gz LJCUZJWGYUJWLY-DYVFJYSZSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC001473205634 1073857851 /nfs/dbraw/zinc/85/78/51/1073857851.db2.gz LJCUZJWGYUJWLY-DYVFJYSZSA-N 1 1 381.448 3.859 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)Cc1cccs1 ZINC001473213636 1073864716 /nfs/dbraw/zinc/86/47/16/1073864716.db2.gz MLRSHCJINZNPKA-ZDUSSCGKSA-N 1 1 377.466 3.557 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC001473234587 1073878035 /nfs/dbraw/zinc/87/80/35/1073878035.db2.gz APIKBZROYSMYBK-LJQANCHMSA-N 1 1 398.463 3.650 20 5 GHBDMO C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC001473494188 1073988965 /nfs/dbraw/zinc/98/89/65/1073988965.db2.gz MREFYQICQVYOLG-CYBMUJFWSA-N 1 1 382.302 3.664 20 5 GHBDMO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473560668 1074016910 /nfs/dbraw/zinc/01/69/10/1074016910.db2.gz ACJQPFXCBUVNGV-IBGZPJMESA-N 1 1 388.489 3.637 20 5 GHBDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473560668 1074016917 /nfs/dbraw/zinc/01/69/17/1074016917.db2.gz ACJQPFXCBUVNGV-IBGZPJMESA-N 1 1 388.489 3.637 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)CC1 ZINC001473732701 1074114586 /nfs/dbraw/zinc/11/45/86/1074114586.db2.gz NXBLNHIVWXPDER-UHFFFAOYSA-N 1 1 393.484 3.695 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(I)c1 ZINC001474517240 1074444788 /nfs/dbraw/zinc/44/47/88/1074444788.db2.gz SJVHNFCLEGDIML-UHFFFAOYSA-N 1 1 396.228 3.874 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001474550032 1074460402 /nfs/dbraw/zinc/46/04/02/1074460402.db2.gz HUMRTXFFRLQBOZ-SJLPKXTDSA-N 1 1 398.356 3.914 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001474550032 1074460405 /nfs/dbraw/zinc/46/04/05/1074460405.db2.gz HUMRTXFFRLQBOZ-SJLPKXTDSA-N 1 1 398.356 3.914 20 5 GHBDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1 ZINC001476108905 1075086208 /nfs/dbraw/zinc/08/62/08/1075086208.db2.gz RQYPEWWWEVCIBS-UHFFFAOYSA-N 1 1 388.855 3.906 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001476151410 1075096269 /nfs/dbraw/zinc/09/62/69/1075096269.db2.gz XZQYWIHNSLKIJP-XOBRGWDASA-N 1 1 396.447 3.991 20 5 GHBDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C(C)C ZINC001496124845 1079457267 /nfs/dbraw/zinc/45/72/67/1079457267.db2.gz WCUDTAKCRJJCPL-MRXNPFEDSA-N 1 1 388.516 3.818 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001659938231 1126263681 /nfs/dbraw/zinc/26/36/81/1126263681.db2.gz FHMMWLKWRZWKAM-ZBFHGGJFSA-N 1 1 388.773 3.872 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164625184 719073846 /nfs/dbraw/zinc/07/38/46/719073846.db2.gz MYOYHHCHVFRCPO-UTKZUKDTSA-N 1 1 389.459 3.639 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)ccc1Oc1ccc(F)cc1 ZINC000581078504 837457822 /nfs/dbraw/zinc/45/78/22/837457822.db2.gz XAELNAODWBBCJE-OAHLLOKOSA-N 1 1 382.395 3.896 20 5 GHBDMO CCOc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000581699573 837582359 /nfs/dbraw/zinc/58/23/59/837582359.db2.gz NLTUYTHSWMRAGT-MOPGFXCFSA-N 1 1 381.476 3.952 20 5 GHBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180850178 837590002 /nfs/dbraw/zinc/59/00/02/837590002.db2.gz WKNYRUHGIWPCAC-FUHWJXTLSA-N 1 1 392.459 3.650 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000583503917 834511338 /nfs/dbraw/zinc/51/13/38/834511338.db2.gz VVMRUUBILQBIAL-MDOVXXIYSA-N 1 1 385.439 3.617 20 5 GHBDMO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000128212974 834673673 /nfs/dbraw/zinc/67/36/73/834673673.db2.gz VOKZLARUXWXEPT-LJQANCHMSA-N 1 1 395.415 3.729 20 5 GHBDMO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000128212974 834673677 /nfs/dbraw/zinc/67/36/77/834673677.db2.gz VOKZLARUXWXEPT-LJQANCHMSA-N 1 1 395.415 3.729 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000728571627 834791869 /nfs/dbraw/zinc/79/18/69/834791869.db2.gz HRJZOUUCAHIDKU-CQSZACIVSA-N 1 1 396.919 3.627 20 5 GHBDMO COC(=O)c1csc(-c2cccc(C[NH2+]Cc3csc([N+](=O)[O-])c3)c2)n1 ZINC000480459576 834818572 /nfs/dbraw/zinc/81/85/72/834818572.db2.gz IFXNDKTZNQGENA-UHFFFAOYSA-N 1 1 389.458 3.856 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000510068818 834828484 /nfs/dbraw/zinc/82/84/84/834828484.db2.gz DLEDBOOVGJWJTQ-FUHWJXTLSA-N 1 1 399.466 3.693 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000536103338 834875060 /nfs/dbraw/zinc/87/50/60/834875060.db2.gz ORJFNTROMDCQDH-OAHLLOKOSA-N 1 1 377.485 3.624 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000179186843 835010567 /nfs/dbraw/zinc/01/05/67/835010567.db2.gz DRBFTGGEGHEYOX-ZAAXVRCTSA-N 1 1 382.464 3.709 20 5 GHBDMO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480560335 835065210 /nfs/dbraw/zinc/06/52/10/835065210.db2.gz VJGIMDDDGQHDLK-LJQANCHMSA-N 1 1 397.475 3.648 20 5 GHBDMO CCc1cc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000610211210 835127718 /nfs/dbraw/zinc/12/77/18/835127718.db2.gz DTHCFCQEFGKLPM-UHFFFAOYSA-N 1 1 395.385 3.601 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000246892963 835277748 /nfs/dbraw/zinc/27/77/48/835277748.db2.gz VHJRTGFSMNHKHM-DOTOQJQBSA-N 1 1 398.463 3.507 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000246892963 835277756 /nfs/dbraw/zinc/27/77/56/835277756.db2.gz VHJRTGFSMNHKHM-DOTOQJQBSA-N 1 1 398.463 3.507 20 5 GHBDMO C[N@@H+](Cc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000065775139 835477964 /nfs/dbraw/zinc/47/79/64/835477964.db2.gz CITCDPNDUQWANZ-UHFFFAOYSA-N 1 1 385.468 3.585 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000428743629 844069905 /nfs/dbraw/zinc/06/99/05/844069905.db2.gz WQOHAIKQADISDA-GOEBONIOSA-N 1 1 392.349 3.724 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000428743629 844069910 /nfs/dbraw/zinc/06/99/10/844069910.db2.gz WQOHAIKQADISDA-GOEBONIOSA-N 1 1 392.349 3.724 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](Nc4ccccc4)C3)o2)cc1 ZINC000154842400 836063209 /nfs/dbraw/zinc/06/32/09/836063209.db2.gz CATHVCLWLOEYBC-KRWDZBQOSA-N 1 1 379.420 3.721 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](Nc4ccccc4)C3)o2)cc1 ZINC000154842400 836063220 /nfs/dbraw/zinc/06/32/20/836063220.db2.gz CATHVCLWLOEYBC-KRWDZBQOSA-N 1 1 379.420 3.721 20 5 GHBDMO COc1ccc(C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000411133051 836065394 /nfs/dbraw/zinc/06/53/94/836065394.db2.gz JMZHHZUOIHCYSN-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO O=C(c1cc2ccccc2c2cccnc12)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000625181143 836092715 /nfs/dbraw/zinc/09/27/15/836092715.db2.gz DPSRCXAUECSJHG-LJQANCHMSA-N 1 1 389.499 3.715 20 5 GHBDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179918338 836358284 /nfs/dbraw/zinc/35/82/84/836358284.db2.gz XNOSENKZJNIWRI-SNVBAGLBSA-N 1 1 381.791 3.685 20 5 GHBDMO CN1CC[N@@H+](C)Cc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc21 ZINC000179978463 836495010 /nfs/dbraw/zinc/49/50/10/836495010.db2.gz MCSRNHYVKONYSH-UHFFFAOYSA-N 1 1 389.843 3.774 20 5 GHBDMO Cc1sc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510170965 836589987 /nfs/dbraw/zinc/58/99/87/836589987.db2.gz ZUXDMJXHKDSZEZ-YOEHRIQHSA-N 1 1 387.505 3.995 20 5 GHBDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000510255849 837066342 /nfs/dbraw/zinc/06/63/42/837066342.db2.gz SGVFWJIWSGAQNT-KSSFIOAISA-N 1 1 383.448 3.676 20 5 GHBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000473357281 844236926 /nfs/dbraw/zinc/23/69/26/844236926.db2.gz AQPMUTJJGUSQIP-AWEZNQCLSA-N 1 1 375.375 3.724 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000066676299 837188064 /nfs/dbraw/zinc/18/80/64/837188064.db2.gz LWDXRIXZSXWMOG-UHFFFAOYSA-N 1 1 397.475 3.588 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC4(CCOCC4)C3)o2)c(Cl)c1 ZINC000180525137 837328884 /nfs/dbraw/zinc/32/88/84/837328884.db2.gz QTWLVFJWYFABEE-UHFFFAOYSA-N 1 1 392.839 3.890 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC4(CCOCC4)C3)o2)c(Cl)c1 ZINC000180525137 837328897 /nfs/dbraw/zinc/32/88/97/837328897.db2.gz QTWLVFJWYFABEE-UHFFFAOYSA-N 1 1 392.839 3.890 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2[C@@H](C)O)cc1OC ZINC000580366483 837340448 /nfs/dbraw/zinc/34/04/48/837340448.db2.gz DXQMTOSKZFYHJC-UXLLHSPISA-N 1 1 380.485 3.764 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000412240756 837884736 /nfs/dbraw/zinc/88/47/36/837884736.db2.gz GVRQENGYAURUPZ-RDJZCZTQSA-N 1 1 389.496 3.765 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377761531 837937980 /nfs/dbraw/zinc/93/79/80/837937980.db2.gz BRTGCCVKGXZSPF-KBRIMQKVSA-N 1 1 384.436 3.739 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377761531 837937985 /nfs/dbraw/zinc/93/79/85/837937985.db2.gz BRTGCCVKGXZSPF-KBRIMQKVSA-N 1 1 384.436 3.739 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1Cc1ccccc1 ZINC000177475693 837976604 /nfs/dbraw/zinc/97/66/04/837976604.db2.gz GFDWPIDROQFEKY-DOTOQJQBSA-N 1 1 392.459 3.859 20 5 GHBDMO Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c(N2CCOCC2)c1 ZINC000893132965 838209114 /nfs/dbraw/zinc/20/91/14/838209114.db2.gz WFUHOZLSZJBSCB-UHFFFAOYSA-N 1 1 375.856 3.683 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1Cc1ccccc1 ZINC000535698978 844322770 /nfs/dbraw/zinc/32/27/70/844322770.db2.gz KNMUYUWDTBWNSJ-DOTOQJQBSA-N 1 1 392.459 3.859 20 5 GHBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000414557431 838624243 /nfs/dbraw/zinc/62/42/43/838624243.db2.gz XCBCDIFGYJSJPV-INIZCTEOSA-N 1 1 383.448 3.832 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000548034912 838625447 /nfs/dbraw/zinc/62/54/47/838625447.db2.gz OTUYBFJNLZHOCS-UHFFFAOYSA-N 1 1 391.515 3.874 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000275752179 838686685 /nfs/dbraw/zinc/68/66/85/838686685.db2.gz DMMHINSQEBEGMK-KGLIPLIRSA-N 1 1 379.888 3.939 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000580194978 839035760 /nfs/dbraw/zinc/03/57/60/839035760.db2.gz JQBALDPJTFRWMH-UTKZUKDTSA-N 1 1 395.503 3.899 20 5 GHBDMO CCN(C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000549166980 839118638 /nfs/dbraw/zinc/11/86/38/839118638.db2.gz CEHKBSFUGKZSRC-MRXNPFEDSA-N 1 1 387.455 3.818 20 5 GHBDMO CCN(C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000549166980 839118644 /nfs/dbraw/zinc/11/86/44/839118644.db2.gz CEHKBSFUGKZSRC-MRXNPFEDSA-N 1 1 387.455 3.818 20 5 GHBDMO C[N@@H+](CCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000431883704 839383807 /nfs/dbraw/zinc/38/38/07/839383807.db2.gz RLHGNPDDOMONIG-UHFFFAOYSA-N 1 1 376.501 3.784 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000119065748 839450098 /nfs/dbraw/zinc/45/00/98/839450098.db2.gz ADESJTRHLJMVGB-JOCHJYFZSA-N 1 1 389.455 3.599 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](C)Cc2nc3c(s2)CCCC3)cccc1[N+](=O)[O-] ZINC000177790314 839796644 /nfs/dbraw/zinc/79/66/44/839796644.db2.gz QPKODVVJAKRDLR-UHFFFAOYSA-N 1 1 388.493 3.699 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2nc3c(s2)CCCC3)cccc1[N+](=O)[O-] ZINC000177790314 839796657 /nfs/dbraw/zinc/79/66/57/839796657.db2.gz QPKODVVJAKRDLR-UHFFFAOYSA-N 1 1 388.493 3.699 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412155173 839841544 /nfs/dbraw/zinc/84/15/44/839841544.db2.gz DIYIHMZSSTZDKI-ZIPUMODLSA-N 1 1 393.487 3.725 20 5 GHBDMO C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000412156755 839841976 /nfs/dbraw/zinc/84/19/76/839841976.db2.gz KDOTXAXRNIBWLN-TYCQWZJGSA-N 1 1 381.476 3.725 20 5 GHBDMO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471609974 839992121 /nfs/dbraw/zinc/99/21/21/839992121.db2.gz LGQIMLYOCZPGOZ-GFCCVEGCSA-N 1 1 384.465 3.571 20 5 GHBDMO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000573451216 844545010 /nfs/dbraw/zinc/54/50/10/844545010.db2.gz YMGIFHDUFJZPFV-OTWHNJEPSA-N 1 1 384.480 3.745 20 5 GHBDMO COc1c(C)cc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000110288570 840580750 /nfs/dbraw/zinc/58/07/50/840580750.db2.gz NXWXOTZYWPMRPC-UHFFFAOYSA-N 1 1 385.464 3.989 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)[NH+]1CCOCC1 ZINC000110720629 840695202 /nfs/dbraw/zinc/69/52/02/840695202.db2.gz MQNRSARLJREYRO-AWEZNQCLSA-N 1 1 394.431 3.722 20 5 GHBDMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000106206227 840754794 /nfs/dbraw/zinc/75/47/94/840754794.db2.gz OGBIKMBEFKMTDL-GOSISDBHSA-N 1 1 395.463 3.980 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1)C(C)C ZINC000511787084 840763990 /nfs/dbraw/zinc/76/39/90/840763990.db2.gz WNSRFRZQTDYQKM-UHFFFAOYSA-N 1 1 385.464 3.764 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c2ncccc12 ZINC000024059338 844578771 /nfs/dbraw/zinc/57/87/71/844578771.db2.gz BZKZLZRDVOTJCL-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Br ZINC000602675824 841125070 /nfs/dbraw/zinc/12/50/70/841125070.db2.gz OQVKUWRYOXAUDW-RTXFEEFZSA-N 1 1 375.288 3.544 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Br ZINC000602675824 841125076 /nfs/dbraw/zinc/12/50/76/841125076.db2.gz OQVKUWRYOXAUDW-RTXFEEFZSA-N 1 1 375.288 3.544 20 5 GHBDMO O=C(C[N@H+](Cc1cccc(O)c1)CC1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000120638618 844619204 /nfs/dbraw/zinc/61/92/04/844619204.db2.gz SPALLTRXODMFDT-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO O=C(C[N@@H+](Cc1cccc(O)c1)CC1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000120638618 844619226 /nfs/dbraw/zinc/61/92/26/844619226.db2.gz SPALLTRXODMFDT-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000500002617 841251617 /nfs/dbraw/zinc/25/16/17/841251617.db2.gz MKNMUOMJPYFZJD-PXNSSMCTSA-N 1 1 397.475 3.658 20 5 GHBDMO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000500014254 841260793 /nfs/dbraw/zinc/26/07/93/841260793.db2.gz ZDAOWXKZJCIECQ-PKOBYXMFSA-N 1 1 396.491 3.691 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000123048993 841317789 /nfs/dbraw/zinc/31/77/89/841317789.db2.gz KRXPOKDBOWZMLR-KRWDZBQOSA-N 1 1 398.463 3.589 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000322464665 844631586 /nfs/dbraw/zinc/63/15/86/844631586.db2.gz MRRAYJLACZCAAM-ZMSDIMECSA-N 1 1 383.286 3.873 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000014932153 841437501 /nfs/dbraw/zinc/43/75/01/841437501.db2.gz LEEBYYKWIQQXLP-NWDGAFQWSA-N 1 1 377.828 3.935 20 5 GHBDMO Cc1cc(N2CCC(Nc3ccc([N+](=O)[O-])cc3OC(F)F)CC2)nc(C)[nH+]1 ZINC000302157848 861221549 /nfs/dbraw/zinc/22/15/49/861221549.db2.gz NQGVNYAXMOLPIB-UHFFFAOYSA-N 1 1 393.394 3.684 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178056465 841658714 /nfs/dbraw/zinc/65/87/14/841658714.db2.gz UJKAOPMASNVZGO-OAHLLOKOSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178056465 841658718 /nfs/dbraw/zinc/65/87/18/841658718.db2.gz UJKAOPMASNVZGO-OAHLLOKOSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000108784244 841694878 /nfs/dbraw/zinc/69/48/78/841694878.db2.gz RSBCUBCPJCMDQQ-HNNXBMFYSA-N 1 1 381.432 3.601 20 5 GHBDMO C[C@@H]([NH2+][C@H](C)c1ccccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000181786627 841816943 /nfs/dbraw/zinc/81/69/43/841816943.db2.gz RKMOCZRHAKQTIR-CHWSQXEVSA-N 1 1 397.460 3.791 20 5 GHBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000730788324 861281850 /nfs/dbraw/zinc/28/18/50/861281850.db2.gz ZHJWZRVBOINULZ-CALCHBBNSA-N 1 1 388.512 3.578 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)o2)cc1 ZINC000045914023 842307669 /nfs/dbraw/zinc/30/76/69/842307669.db2.gz XIJTUFICCOPHSD-HXUWFJFHSA-N 1 1 394.431 3.590 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000603867963 861299405 /nfs/dbraw/zinc/29/94/05/861299405.db2.gz HAEHAINSZLEFNC-KRWDZBQOSA-N 1 1 394.431 3.861 20 5 GHBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)O1 ZINC000302548720 861299708 /nfs/dbraw/zinc/29/97/08/861299708.db2.gz VKYUSQJRZZDQFZ-SCTDSRPQSA-N 1 1 396.491 3.735 20 5 GHBDMO COc1cc(C[N@@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000599552995 861323875 /nfs/dbraw/zinc/32/38/75/861323875.db2.gz PNWGNQIHCZVEPH-UHFFFAOYSA-N 1 1 380.338 3.869 20 5 GHBDMO COc1cc(C[N@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000599552995 861323895 /nfs/dbraw/zinc/32/38/95/861323895.db2.gz PNWGNQIHCZVEPH-UHFFFAOYSA-N 1 1 380.338 3.869 20 5 GHBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)C[C@H](C)O1 ZINC000121540034 842649164 /nfs/dbraw/zinc/64/91/64/842649164.db2.gz KLPVPQBAYXYWJZ-STQMWFEESA-N 1 1 375.450 3.518 20 5 GHBDMO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1 ZINC000510541047 842930406 /nfs/dbraw/zinc/93/04/06/842930406.db2.gz YCWBACKJGMMITG-HXUWFJFHSA-N 1 1 391.427 3.918 20 5 GHBDMO COc1cccc2c(N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc(C)[nH+]c12 ZINC000302805479 861370773 /nfs/dbraw/zinc/37/07/73/861370773.db2.gz WSMVZNOSEPSSTI-CQSZACIVSA-N 1 1 379.420 3.546 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)s1 ZINC000510661723 843150998 /nfs/dbraw/zinc/15/09/98/843150998.db2.gz JNPUTVSTWFQYBU-INIZCTEOSA-N 1 1 387.505 3.620 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000548407776 843258735 /nfs/dbraw/zinc/25/87/35/843258735.db2.gz WJYCOIPDGWWNKE-HZPDHXFCSA-N 1 1 390.484 3.722 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000538083981 843302918 /nfs/dbraw/zinc/30/29/18/843302918.db2.gz LADBEKCMVVQNPS-QFBILLFUSA-N 1 1 396.491 3.980 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000053944766 843459282 /nfs/dbraw/zinc/45/92/82/843459282.db2.gz GSSZXKFVTMXTIM-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000053944766 843459288 /nfs/dbraw/zinc/45/92/88/843459288.db2.gz GSSZXKFVTMXTIM-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO CCOc1cc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276851587 843552508 /nfs/dbraw/zinc/55/25/08/843552508.db2.gz DSPHGOCCBLIDQP-RXBISOJRSA-N 1 1 376.478 3.924 20 5 GHBDMO CCOc1cc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276851587 843552520 /nfs/dbraw/zinc/55/25/20/843552520.db2.gz DSPHGOCCBLIDQP-RXBISOJRSA-N 1 1 376.478 3.924 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cc(C)no2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000105455632 843631018 /nfs/dbraw/zinc/63/10/18/843631018.db2.gz XUAZTTCPJBIPOD-UHFFFAOYSA-N 1 1 383.404 3.769 20 5 GHBDMO COc1ccc(C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)cc1[N+](=O)[O-] ZINC000599643184 861439207 /nfs/dbraw/zinc/43/92/07/861439207.db2.gz YYOIZKROXJPFFO-UHFFFAOYSA-N 1 1 386.452 3.709 20 5 GHBDMO Cc1c(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000481469866 861453791 /nfs/dbraw/zinc/45/37/91/861453791.db2.gz VWMXHPKLYHUATQ-GOSISDBHSA-N 1 1 385.439 3.571 20 5 GHBDMO COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CCC2 ZINC000433225504 843884001 /nfs/dbraw/zinc/88/40/01/843884001.db2.gz IPFZZQLEJWPRPN-RTBURBONSA-N 1 1 384.480 3.827 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000429916936 843964905 /nfs/dbraw/zinc/96/49/05/843964905.db2.gz CBCMUZGSMSSVSO-SFHVURJKSA-N 1 1 389.883 3.945 20 5 GHBDMO Cc1c(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000247661317 844735351 /nfs/dbraw/zinc/73/53/51/844735351.db2.gz XNDMHWVXBDLILO-JIPZTSHUSA-N 1 1 381.476 3.790 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000128881659 844849510 /nfs/dbraw/zinc/84/95/10/844849510.db2.gz SUKHAZNEXZRBLU-KVSKMBFKSA-N 1 1 386.496 3.623 20 5 GHBDMO COc1ccc2[nH]cc(C3=CC[N@@H+](C[C@@H](O)c4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000178867984 844884654 /nfs/dbraw/zinc/88/46/54/844884654.db2.gz HLIPPTQEAKFUQR-JOCHJYFZSA-N 1 1 393.443 3.907 20 5 GHBDMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000171139337 861577458 /nfs/dbraw/zinc/57/74/58/861577458.db2.gz HLHMZYARWYVIBE-LLVKDONJSA-N 1 1 393.827 3.555 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000843815769 861588747 /nfs/dbraw/zinc/58/87/47/861588747.db2.gz XRMJAJLGAUCVGK-KSSFIOAISA-N 1 1 385.439 3.683 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccc(Cl)cc1 ZINC000536370264 845664669 /nfs/dbraw/zinc/66/46/69/845664669.db2.gz KGHQVGYZAYIEGB-KXBFYZLASA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccc(Cl)cc1 ZINC000536370264 845664675 /nfs/dbraw/zinc/66/46/75/845664675.db2.gz KGHQVGYZAYIEGB-KXBFYZLASA-N 1 1 398.850 3.905 20 5 GHBDMO CCN1CCC[C@@H](C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000434022581 846163649 /nfs/dbraw/zinc/16/36/49/846163649.db2.gz BBIQIWWKFSOHPQ-GHTZIAJQSA-N 1 1 385.512 3.542 20 5 GHBDMO CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000434022581 846163655 /nfs/dbraw/zinc/16/36/55/846163655.db2.gz BBIQIWWKFSOHPQ-GHTZIAJQSA-N 1 1 385.512 3.542 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000434022581 846163664 /nfs/dbraw/zinc/16/36/64/846163664.db2.gz BBIQIWWKFSOHPQ-GHTZIAJQSA-N 1 1 385.512 3.542 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421508619 846298023 /nfs/dbraw/zinc/29/80/23/846298023.db2.gz RGVGCWXVRYORJG-IBGZPJMESA-N 1 1 381.476 3.806 20 5 GHBDMO CC(C)NC(=O)c1ccc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000611370391 846379490 /nfs/dbraw/zinc/37/94/90/846379490.db2.gz LSXWGUOWVGAZCA-JZXOWHBKSA-N 1 1 388.512 3.575 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CCc1ccccc1[N+](=O)[O-] ZINC000511080224 846445295 /nfs/dbraw/zinc/44/52/95/846445295.db2.gz HXEZYABEIAIYKG-UHFFFAOYSA-N 1 1 379.819 3.890 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3nccc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000413064614 846528065 /nfs/dbraw/zinc/52/80/65/846528065.db2.gz BBRMIVDDCQEHRB-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3nccc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000413064614 846528069 /nfs/dbraw/zinc/52/80/69/846528069.db2.gz BBRMIVDDCQEHRB-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2[C@H](C)COC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000501074624 846615592 /nfs/dbraw/zinc/61/55/92/846615592.db2.gz CRHVWQRHUFWJEL-QRWLVFNGSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2[C@H](C)COC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000501074624 846615599 /nfs/dbraw/zinc/61/55/99/846615599.db2.gz CRHVWQRHUFWJEL-QRWLVFNGSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000502961262 846666529 /nfs/dbraw/zinc/66/65/29/846666529.db2.gz QLZKNRQWGRNRIC-UHFFFAOYSA-N 1 1 394.309 3.744 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000015787858 846835974 /nfs/dbraw/zinc/83/59/74/846835974.db2.gz HXKKOFXXTXTGIP-QGZVFWFLSA-N 1 1 393.896 3.759 20 5 GHBDMO COc1cc(C[NH2+][C@H]2CCOc3c(Br)cccc32)ccc1[N+](=O)[O-] ZINC000501521262 846981478 /nfs/dbraw/zinc/98/14/78/846981478.db2.gz GOMWLJCEAUBGJH-AWEZNQCLSA-N 1 1 393.237 3.979 20 5 GHBDMO CCOC[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000176324103 847314649 /nfs/dbraw/zinc/31/46/49/847314649.db2.gz GERPGAHEDJTIRG-UWJYYQICSA-N 1 1 397.475 3.941 20 5 GHBDMO CCOC[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000176324103 847314655 /nfs/dbraw/zinc/31/46/55/847314655.db2.gz GERPGAHEDJTIRG-UWJYYQICSA-N 1 1 397.475 3.941 20 5 GHBDMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511134515 847369896 /nfs/dbraw/zinc/36/98/96/847369896.db2.gz AMHSGRSUXLGZME-CYBMUJFWSA-N 1 1 393.390 3.698 20 5 GHBDMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511134515 847369899 /nfs/dbraw/zinc/36/98/99/847369899.db2.gz AMHSGRSUXLGZME-CYBMUJFWSA-N 1 1 393.390 3.698 20 5 GHBDMO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000479450837 847639395 /nfs/dbraw/zinc/63/93/95/847639395.db2.gz GQJGUZIKIHAEDW-SFHVURJKSA-N 1 1 398.431 3.634 20 5 GHBDMO Cc1nc(CC[NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000503587843 847816977 /nfs/dbraw/zinc/81/69/77/847816977.db2.gz ZJYAXXNXMPCZLX-UHFFFAOYSA-N 1 1 383.477 3.813 20 5 GHBDMO Cc1nnc(CC[NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)[nH]1 ZINC000503587843 847816983 /nfs/dbraw/zinc/81/69/83/847816983.db2.gz ZJYAXXNXMPCZLX-UHFFFAOYSA-N 1 1 383.477 3.813 20 5 GHBDMO C[N@@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000611712862 848216370 /nfs/dbraw/zinc/21/63/70/848216370.db2.gz RMZDPXJOAUFOHS-MSOLQXFVSA-N 1 1 385.374 3.674 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000611712862 848216381 /nfs/dbraw/zinc/21/63/81/848216381.db2.gz RMZDPXJOAUFOHS-MSOLQXFVSA-N 1 1 385.374 3.674 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000178730189 848773959 /nfs/dbraw/zinc/77/39/59/848773959.db2.gz ZHBOLJXSVZDFBT-LJQANCHMSA-N 1 1 390.528 3.883 20 5 GHBDMO Cn1c(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000604193254 861958891 /nfs/dbraw/zinc/95/88/91/861958891.db2.gz LYPKHBURAKSHPK-UHFFFAOYSA-N 1 1 384.480 3.628 20 5 GHBDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)cc1F ZINC000054175290 850326230 /nfs/dbraw/zinc/32/62/30/850326230.db2.gz KTZIMENBECCJMD-UHFFFAOYSA-N 1 1 391.468 3.632 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000439775541 850380073 /nfs/dbraw/zinc/38/00/73/850380073.db2.gz OJPDMCQGKMSAJZ-NRFANRHFSA-N 1 1 388.464 3.775 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000425421646 851008228 /nfs/dbraw/zinc/00/82/28/851008228.db2.gz ODDINUODKRBFHD-SUMWQHHRSA-N 1 1 394.313 3.806 20 5 GHBDMO CC(C)c1ccc(C[NH2+]C2CCN(c3cc(C(=O)[O-])cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000426641111 851098676 /nfs/dbraw/zinc/09/86/76/851098676.db2.gz YFCXBXYTBRPEQG-UHFFFAOYSA-N 1 1 398.463 3.570 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000425460273 851185401 /nfs/dbraw/zinc/18/54/01/851185401.db2.gz RCBJKDOEGSWIPN-GFCCVEGCSA-N 1 1 393.241 3.607 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000425460273 851185405 /nfs/dbraw/zinc/18/54/05/851185405.db2.gz RCBJKDOEGSWIPN-GFCCVEGCSA-N 1 1 393.241 3.607 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000425460274 851185508 /nfs/dbraw/zinc/18/55/08/851185508.db2.gz RCBJKDOEGSWIPN-LBPRGKRZSA-N 1 1 393.241 3.607 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000425460274 851185516 /nfs/dbraw/zinc/18/55/16/851185516.db2.gz RCBJKDOEGSWIPN-LBPRGKRZSA-N 1 1 393.241 3.607 20 5 GHBDMO C[N@@H+](CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Cc1ccccc1 ZINC000436141861 851255334 /nfs/dbraw/zinc/25/53/34/851255334.db2.gz OVNRRQGIKJNDFV-UHFFFAOYSA-N 1 1 385.467 3.543 20 5 GHBDMO CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000488225568 851289659 /nfs/dbraw/zinc/28/96/59/851289659.db2.gz VSUQIULNPICBOR-QGZVFWFLSA-N 1 1 385.489 3.912 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1csc2ccccc12 ZINC000052805640 851373144 /nfs/dbraw/zinc/37/31/44/851373144.db2.gz FZCNAZQOEKAAMC-UHFFFAOYSA-N 1 1 385.445 3.889 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1csc2ccccc12 ZINC000052805640 851373152 /nfs/dbraw/zinc/37/31/52/851373152.db2.gz FZCNAZQOEKAAMC-UHFFFAOYSA-N 1 1 385.445 3.889 20 5 GHBDMO CC(C)(C)c1ccc(Oc2ccc(C[N@H+]3CC[C@@H](C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000505455536 851390852 /nfs/dbraw/zinc/39/08/52/851390852.db2.gz NBXRWHWQDBLWNC-MRXNPFEDSA-N 1 1 397.475 3.992 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436259267 851391673 /nfs/dbraw/zinc/39/16/73/851391673.db2.gz JDXDNGKINDQYKK-WTOYTKOKSA-N 1 1 381.476 3.549 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CCCC1 ZINC000436422258 851596927 /nfs/dbraw/zinc/59/69/27/851596927.db2.gz LXXXVUAJOWVAIL-UHFFFAOYSA-N 1 1 399.441 3.564 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434740196 851605582 /nfs/dbraw/zinc/60/55/82/851605582.db2.gz VKOGQOSQBGAJIV-JOCHJYFZSA-N 1 1 397.475 3.904 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132814801 862278399 /nfs/dbraw/zinc/27/83/99/862278399.db2.gz YADAAYGRJFRPPU-HNNXBMFYSA-N 1 1 385.439 3.896 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000550210887 851943962 /nfs/dbraw/zinc/94/39/62/851943962.db2.gz BHRXHNVKQNTSHT-AWEZNQCLSA-N 1 1 385.395 3.521 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426015723 852422705 /nfs/dbraw/zinc/42/27/05/852422705.db2.gz VINMBGWJJIHIQX-BBWFWOEESA-N 1 1 388.512 3.635 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489633428 852498615 /nfs/dbraw/zinc/49/86/15/852498615.db2.gz RTKNEDOLZQRUQI-SJORKVTESA-N 1 1 384.480 3.784 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489633425 852498660 /nfs/dbraw/zinc/49/86/60/852498660.db2.gz RTKNEDOLZQRUQI-DLBZAZTESA-N 1 1 384.480 3.784 20 5 GHBDMO O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000426889290 852511769 /nfs/dbraw/zinc/51/17/69/852511769.db2.gz MHFBORJFFMJTLO-UHFFFAOYSA-N 1 1 399.357 3.706 20 5 GHBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000438546602 852540236 /nfs/dbraw/zinc/54/02/36/852540236.db2.gz QCGBPMFBIONVBZ-IBGZPJMESA-N 1 1 385.464 3.600 20 5 GHBDMO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000489768906 852596919 /nfs/dbraw/zinc/59/69/19/852596919.db2.gz FVRZPFKPVOYJHU-HKUYNNGSSA-N 1 1 396.491 3.520 20 5 GHBDMO Cc1csc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000507245685 852714859 /nfs/dbraw/zinc/71/48/59/852714859.db2.gz CLQQVXIYGLESCN-UHFFFAOYSA-N 1 1 384.461 3.942 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000427098816 852718886 /nfs/dbraw/zinc/71/88/86/852718886.db2.gz DASAWMHXDHCPJP-INIZCTEOSA-N 1 1 389.496 3.720 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000506346698 852812404 /nfs/dbraw/zinc/81/24/04/852812404.db2.gz OVKTXCCSCWWBNN-AWEZNQCLSA-N 1 1 377.510 3.844 20 5 GHBDMO COc1cc(CNC[C@]2(C)CCC[NH2+]C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414899249 852840746 /nfs/dbraw/zinc/84/07/46/852840746.db2.gz CIWLAAGZEAGPKW-JOCHJYFZSA-N 1 1 399.491 3.662 20 5 GHBDMO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490258117 852863726 /nfs/dbraw/zinc/86/37/26/852863726.db2.gz YOTOJJJKYZPKBO-CRAIPNDOSA-N 1 1 392.459 3.717 20 5 GHBDMO Cc1c(Br)c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000383380926 853027479 /nfs/dbraw/zinc/02/74/79/853027479.db2.gz BFJRPARBPUVBJG-AWEZNQCLSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1c(Br)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000383380926 853027486 /nfs/dbraw/zinc/02/74/86/853027486.db2.gz BFJRPARBPUVBJG-AWEZNQCLSA-N 1 1 391.269 3.747 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000490434610 853027819 /nfs/dbraw/zinc/02/78/19/853027819.db2.gz XTPYOYCCVYAYAX-LIRRHRJNSA-N 1 1 397.500 3.959 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000490548566 853084519 /nfs/dbraw/zinc/08/45/19/853084519.db2.gz XCPCJEGXKHPVQZ-DYVFJYSZSA-N 1 1 377.510 3.555 20 5 GHBDMO CC(=O)c1ccc(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000506050409 853143217 /nfs/dbraw/zinc/14/32/17/853143217.db2.gz BFLBMCOGMMMXEP-QFIPXVFZSA-N 1 1 396.491 3.588 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000437517651 853217439 /nfs/dbraw/zinc/21/74/39/853217439.db2.gz RZBZLSUDAKDEAS-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000437517651 853217445 /nfs/dbraw/zinc/21/74/45/853217445.db2.gz RZBZLSUDAKDEAS-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000044552817 853672958 /nfs/dbraw/zinc/67/29/58/853672958.db2.gz ONEDDWQXBBJFQU-QGZVFWFLSA-N 1 1 381.476 3.828 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044552801 853673066 /nfs/dbraw/zinc/67/30/66/853673066.db2.gz YIMXCBMXKMACBV-QGZVFWFLSA-N 1 1 381.476 3.686 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000052865597 853679297 /nfs/dbraw/zinc/67/92/97/853679297.db2.gz IGDCBHXXVKKBTG-IBGZPJMESA-N 1 1 383.448 3.523 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000052865597 853679306 /nfs/dbraw/zinc/67/93/06/853679306.db2.gz IGDCBHXXVKKBTG-IBGZPJMESA-N 1 1 383.448 3.523 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000571611965 853959966 /nfs/dbraw/zinc/95/99/66/853959966.db2.gz GIVJOTXLSNOQRV-FUHIMQAGSA-N 1 1 381.476 3.868 20 5 GHBDMO O=C(c1cc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301486454 855176320 /nfs/dbraw/zinc/17/63/20/855176320.db2.gz ZXQXVABBTTZKJR-GOSISDBHSA-N 1 1 386.496 3.507 20 5 GHBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)[N@@H+](C)Cc1ccccc1 ZINC000301506284 855187114 /nfs/dbraw/zinc/18/71/14/855187114.db2.gz BICZAIZMHJJJHJ-LBPRGKRZSA-N 1 1 379.258 3.685 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054926962 855232038 /nfs/dbraw/zinc/23/20/38/855232038.db2.gz QLZDHFZVUFMMPK-UHFFFAOYSA-N 1 1 388.855 3.988 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054926962 855232044 /nfs/dbraw/zinc/23/20/44/855232044.db2.gz QLZDHFZVUFMMPK-UHFFFAOYSA-N 1 1 388.855 3.988 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301608865 855337704 /nfs/dbraw/zinc/33/77/04/855337704.db2.gz AGMOZDDFZAMWIQ-QFBILLFUSA-N 1 1 396.491 3.808 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3NC(C)C)CC2)[nH+]c1 ZINC000590872531 855638277 /nfs/dbraw/zinc/63/82/77/855638277.db2.gz UBQPLYABZIDTHO-UHFFFAOYSA-N 1 1 397.479 3.974 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000554681042 855942438 /nfs/dbraw/zinc/94/24/38/855942438.db2.gz SZCMQBPNRCOBRZ-RBUKOAKNSA-N 1 1 383.496 3.611 20 5 GHBDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000485196922 856216359 /nfs/dbraw/zinc/21/63/59/856216359.db2.gz MOKXKNBEATXSAD-JSGCOSHPSA-N 1 1 391.269 4.000 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000485196922 856216374 /nfs/dbraw/zinc/21/63/74/856216374.db2.gz MOKXKNBEATXSAD-JSGCOSHPSA-N 1 1 391.269 4.000 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000172249567 856229508 /nfs/dbraw/zinc/22/95/08/856229508.db2.gz BBOPEWXTTHFIQE-INIZCTEOSA-N 1 1 398.463 3.652 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(COc4ccccc4)CC3)n2)cc1 ZINC000171829943 856278115 /nfs/dbraw/zinc/27/81/15/856278115.db2.gz IVXZXBRWSYRZIB-UHFFFAOYSA-N 1 1 394.431 3.936 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000573618942 856319259 /nfs/dbraw/zinc/31/92/59/856319259.db2.gz UWFOUGOGYUPCPF-UHFFFAOYSA-N 1 1 399.451 3.619 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3sccc3Br)C2)nc1 ZINC000172358931 856410262 /nfs/dbraw/zinc/41/02/62/856410262.db2.gz JYGZMAJESKLFLU-JTQLQIEISA-N 1 1 383.271 3.500 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3sccc3Br)C2)nc1 ZINC000172358931 856410264 /nfs/dbraw/zinc/41/02/64/856410264.db2.gz JYGZMAJESKLFLU-JTQLQIEISA-N 1 1 383.271 3.500 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccn3)CC2)nc1-c1ccc(F)cc1 ZINC000485394771 856455451 /nfs/dbraw/zinc/45/54/51/856455451.db2.gz AJMYDKHXDIMZRS-UHFFFAOYSA-N 1 1 393.422 3.513 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(COc4ccccc4)CC3)n2)c1 ZINC000055082165 856543720 /nfs/dbraw/zinc/54/37/20/856543720.db2.gz SOHNBIBIBUCAOP-UHFFFAOYSA-N 1 1 394.431 3.936 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000058298812 856562236 /nfs/dbraw/zinc/56/22/36/856562236.db2.gz OREOETPZHJUNQY-PMACEKPBSA-N 1 1 394.475 3.564 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000482209436 862811376 /nfs/dbraw/zinc/81/13/76/862811376.db2.gz LBNAEDUNPBJKPX-FTRWYGJKSA-N 1 1 382.464 3.618 20 5 GHBDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000281036761 862814856 /nfs/dbraw/zinc/81/48/56/862814856.db2.gz PTATVQBNOAKSSN-SFHVURJKSA-N 1 1 385.468 3.675 20 5 GHBDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000281036761 862814870 /nfs/dbraw/zinc/81/48/70/862814870.db2.gz PTATVQBNOAKSSN-SFHVURJKSA-N 1 1 385.468 3.675 20 5 GHBDMO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132655 856677708 /nfs/dbraw/zinc/67/77/08/856677708.db2.gz MHESRIUZFBWBKH-GCBQAYLCSA-N 1 1 398.503 3.865 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000173113293 856746808 /nfs/dbraw/zinc/74/68/08/856746808.db2.gz UNZKVSQSWNNNDK-YLJYHZDGSA-N 1 1 381.476 3.649 20 5 GHBDMO COc1ccc(OCC[NH2+][C@@H](c2nccs2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000173266077 856826341 /nfs/dbraw/zinc/82/63/41/856826341.db2.gz WAQQNSVKJOPVIJ-GOSISDBHSA-N 1 1 385.445 3.818 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000173411584 856911027 /nfs/dbraw/zinc/91/10/27/856911027.db2.gz FMIIPPFKQKUVBQ-UHFFFAOYSA-N 1 1 381.476 3.684 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000173475115 856952284 /nfs/dbraw/zinc/95/22/84/856952284.db2.gz RIMJABUBYIDPGJ-HXUWFJFHSA-N 1 1 382.464 3.745 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000173475115 856952287 /nfs/dbraw/zinc/95/22/87/856952287.db2.gz RIMJABUBYIDPGJ-HXUWFJFHSA-N 1 1 382.464 3.745 20 5 GHBDMO COc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]2CCCO2)c1 ZINC000485738263 857019963 /nfs/dbraw/zinc/01/99/63/857019963.db2.gz NDLJRJUTGAZKMV-IBGZPJMESA-N 1 1 386.448 3.793 20 5 GHBDMO COc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]2CCCO2)c1 ZINC000485738263 857019971 /nfs/dbraw/zinc/01/99/71/857019971.db2.gz NDLJRJUTGAZKMV-IBGZPJMESA-N 1 1 386.448 3.793 20 5 GHBDMO C[N@@H+]1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245644877 857045467 /nfs/dbraw/zinc/04/54/67/857045467.db2.gz AZPXVCJJGSQEDG-MEDUHNTESA-N 1 1 397.859 3.872 20 5 GHBDMO C[N@H+]1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245644877 857045473 /nfs/dbraw/zinc/04/54/73/857045473.db2.gz AZPXVCJJGSQEDG-MEDUHNTESA-N 1 1 397.859 3.872 20 5 GHBDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1c1ccc(O)cc1 ZINC000451092901 857137717 /nfs/dbraw/zinc/13/77/17/857137717.db2.gz DCZAYWCZERZJTE-VOBQZIQPSA-N 1 1 384.432 3.558 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1csc(Br)c1 ZINC000174129388 857213656 /nfs/dbraw/zinc/21/36/56/857213656.db2.gz ABXGLFPJGBJGRS-UHFFFAOYSA-N 1 1 398.282 3.879 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000593076396 857338364 /nfs/dbraw/zinc/33/83/64/857338364.db2.gz BDCVZLGMOHMXEQ-CXAGYDPISA-N 1 1 386.452 3.565 20 5 GHBDMO O=[N+]([O-])c1c(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc2sccn21 ZINC000301718827 857339335 /nfs/dbraw/zinc/33/93/35/857339335.db2.gz OWWBVGKBCXJNPV-IAGOWNOFSA-N 1 1 397.504 3.795 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246409945 857370196 /nfs/dbraw/zinc/37/01/96/857370196.db2.gz QQDVLFYPTBZONN-DOXZYTNZSA-N 1 1 389.521 3.551 20 5 GHBDMO CCc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301724693 857408663 /nfs/dbraw/zinc/40/86/63/857408663.db2.gz PABPIVWFSQWPDA-LPHOPBHVSA-N 1 1 381.480 3.535 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000174971790 857415417 /nfs/dbraw/zinc/41/54/17/857415417.db2.gz GEXGJRWUYOJMSS-INIZCTEOSA-N 1 1 387.867 3.842 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CCC[N@@H+]2Cc2ccco2)c1 ZINC000765970348 857702999 /nfs/dbraw/zinc/70/29/99/857702999.db2.gz VPYGTPSVCIDEQF-CYBMUJFWSA-N 1 1 376.434 3.731 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CCC[N@H+]2Cc2ccco2)c1 ZINC000765970348 857703002 /nfs/dbraw/zinc/70/30/02/857703002.db2.gz VPYGTPSVCIDEQF-CYBMUJFWSA-N 1 1 376.434 3.731 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000113933857 857796321 /nfs/dbraw/zinc/79/63/21/857796321.db2.gz GWHIJJUXOVUVSP-DLBZAZTESA-N 1 1 399.495 3.731 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000157904654 857884427 /nfs/dbraw/zinc/88/44/27/857884427.db2.gz QRJXALFZUDIXNT-INIZCTEOSA-N 1 1 383.448 3.730 20 5 GHBDMO COc1cc(CN2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000442925684 858234123 /nfs/dbraw/zinc/23/41/23/858234123.db2.gz WDRBCVOQYSCMLD-QGZVFWFLSA-N 1 1 399.491 3.743 20 5 GHBDMO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000066830717 858316155 /nfs/dbraw/zinc/31/61/55/858316155.db2.gz FFWVDIGROFHRPD-UHFFFAOYSA-N 1 1 388.855 3.988 20 5 GHBDMO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000066830717 858316170 /nfs/dbraw/zinc/31/61/70/858316170.db2.gz FFWVDIGROFHRPD-UHFFFAOYSA-N 1 1 388.855 3.988 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592881865 858336096 /nfs/dbraw/zinc/33/60/96/858336096.db2.gz NVCHFMBLDPELOV-UZKOGDIHSA-N 1 1 395.503 3.625 20 5 GHBDMO COc1cc(C[NH2+]Cc2sc(C)cc2Br)c([N+](=O)[O-])cc1O ZINC000594977272 858337297 /nfs/dbraw/zinc/33/72/97/858337297.db2.gz IVPMSCDDHQGPKG-UHFFFAOYSA-N 1 1 387.255 3.731 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000059376203 858347576 /nfs/dbraw/zinc/34/75/76/858347576.db2.gz GAFPQMKJEDGBLU-HNAYVOBHSA-N 1 1 376.840 3.825 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000595022282 858354336 /nfs/dbraw/zinc/35/43/36/858354336.db2.gz UHTIHKGLAIPEEU-MAUKXSAKSA-N 1 1 386.448 3.930 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000059402969 858361973 /nfs/dbraw/zinc/36/19/73/858361973.db2.gz MCSRQWQQVOHOJI-GOSISDBHSA-N 1 1 398.463 3.650 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000595049072 858379209 /nfs/dbraw/zinc/37/92/09/858379209.db2.gz UHWXKVPDRFBKJA-UGSOOPFHSA-N 1 1 382.420 3.929 20 5 GHBDMO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595356155 858517256 /nfs/dbraw/zinc/51/72/56/858517256.db2.gz FXYXOUWNHDCHNU-UHFFFAOYSA-N 1 1 387.411 3.593 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595359211 858517380 /nfs/dbraw/zinc/51/73/80/858517380.db2.gz INZQAIGSHYGPRR-CYBMUJFWSA-N 1 1 392.818 3.633 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595359211 858517382 /nfs/dbraw/zinc/51/73/82/858517382.db2.gz INZQAIGSHYGPRR-CYBMUJFWSA-N 1 1 392.818 3.633 20 5 GHBDMO Cc1noc(C[NH2+][C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000595454066 858536830 /nfs/dbraw/zinc/53/68/30/858536830.db2.gz IAGSSFSBYOGVIX-MAUKXSAKSA-N 1 1 396.850 3.997 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595544163 858561762 /nfs/dbraw/zinc/56/17/62/858561762.db2.gz MUNGBVNLFPGDCA-LPHOPBHVSA-N 1 1 382.464 3.538 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c([N+](=O)[O-])cc1OC ZINC000575170294 858614681 /nfs/dbraw/zinc/61/46/81/858614681.db2.gz CIKLHDJQHLYHEM-OAQYLSRUSA-N 1 1 384.432 3.582 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1OC ZINC000595634110 858624336 /nfs/dbraw/zinc/62/43/36/858624336.db2.gz AOGYLBJHOUQSDV-HPFXQQBRSA-N 1 1 392.496 3.621 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595740773 858672225 /nfs/dbraw/zinc/67/22/25/858672225.db2.gz BXNOYIOUUZIFJK-FTRWYGJKSA-N 1 1 397.475 3.532 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595740776 858672321 /nfs/dbraw/zinc/67/23/21/858672321.db2.gz BXNOYIOUUZIFJK-XTCWOQMQSA-N 1 1 397.475 3.532 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595740776 858672323 /nfs/dbraw/zinc/67/23/23/858672323.db2.gz BXNOYIOUUZIFJK-XTCWOQMQSA-N 1 1 397.475 3.532 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)CC2=CCCOC2)cc1OC ZINC000595746720 858673219 /nfs/dbraw/zinc/67/32/19/858673219.db2.gz BYBIZDVEQIXRCG-HNNXBMFYSA-N 1 1 378.469 3.807 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)CC2=CCCOC2)cc1OC ZINC000595746720 858673222 /nfs/dbraw/zinc/67/32/22/858673222.db2.gz BYBIZDVEQIXRCG-HNNXBMFYSA-N 1 1 378.469 3.807 20 5 GHBDMO COc1cc(C[NH+]2CCC3(CCCC3=O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000595804618 858680042 /nfs/dbraw/zinc/68/00/42/858680042.db2.gz ARJWRBVLZBUDDX-UHFFFAOYSA-N 1 1 384.379 3.540 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000595913239 858717745 /nfs/dbraw/zinc/71/77/45/858717745.db2.gz FQQDCIFPGJYCJE-OCCSQVGLSA-N 1 1 375.450 3.779 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@H]1O ZINC000250120157 858799964 /nfs/dbraw/zinc/79/99/64/858799964.db2.gz VDXMYSWPJWDOTQ-MEDUHNTESA-N 1 1 395.253 3.820 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1N1CCOCC1 ZINC000116270997 858920078 /nfs/dbraw/zinc/92/00/78/858920078.db2.gz FATZZTNTKIWKSO-UHFFFAOYSA-N 1 1 375.856 3.717 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1N1CCOCC1 ZINC000116270997 858920082 /nfs/dbraw/zinc/92/00/82/858920082.db2.gz FATZZTNTKIWKSO-UHFFFAOYSA-N 1 1 375.856 3.717 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000116271775 858921682 /nfs/dbraw/zinc/92/16/82/858921682.db2.gz IOVPVYAYAPMWMJ-OAHLLOKOSA-N 1 1 389.887 3.946 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000116271775 858921696 /nfs/dbraw/zinc/92/16/96/858921696.db2.gz IOVPVYAYAPMWMJ-OAHLLOKOSA-N 1 1 389.887 3.946 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614227 858967973 /nfs/dbraw/zinc/96/79/73/858967973.db2.gz RUEIERXCNGECKY-DNVCBOLYSA-N 1 1 394.431 3.915 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596614227 858967981 /nfs/dbraw/zinc/96/79/81/858967981.db2.gz RUEIERXCNGECKY-DNVCBOLYSA-N 1 1 394.431 3.915 20 5 GHBDMO CCOc1cnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170329956 881367543 /nfs/dbraw/zinc/36/75/43/881367543.db2.gz BGYKZRIMGXKQBD-NNZMDNLPSA-N 1 1 382.464 3.996 20 5 GHBDMO COc1nc(C)c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC001170332338 881373977 /nfs/dbraw/zinc/37/39/77/881373977.db2.gz DFZUKAYKBRAHSN-NNZMDNLPSA-N 1 1 382.464 3.914 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439330919 859089990 /nfs/dbraw/zinc/08/99/90/859089990.db2.gz YMRUXVMOYUVXIL-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439330919 859089997 /nfs/dbraw/zinc/08/99/97/859089997.db2.gz YMRUXVMOYUVXIL-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483112678 859157490 /nfs/dbraw/zinc/15/74/90/859157490.db2.gz SYXMWYPBMUZPQN-HNNXBMFYSA-N 1 1 387.411 3.561 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(CC3=CCCOC3)CC2)s1 ZINC000509364892 859185597 /nfs/dbraw/zinc/18/55/97/859185597.db2.gz IBJFAUMTNDKKHZ-UHFFFAOYSA-N 1 1 399.516 3.788 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](CC3=CCCOC3)CC2)s1 ZINC000509364892 859185604 /nfs/dbraw/zinc/18/56/04/859185604.db2.gz IBJFAUMTNDKKHZ-UHFFFAOYSA-N 1 1 399.516 3.788 20 5 GHBDMO O=C(C[N@@H+](CC1CC1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000483299798 859280392 /nfs/dbraw/zinc/28/03/92/859280392.db2.gz TVJHHEJOKIAYOQ-UHFFFAOYSA-N 1 1 382.258 3.560 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000060475247 859323887 /nfs/dbraw/zinc/32/38/87/859323887.db2.gz RWDQEJXCFYNNQP-QGZVFWFLSA-N 1 1 397.475 3.522 20 5 GHBDMO COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000509443711 859458773 /nfs/dbraw/zinc/45/87/73/859458773.db2.gz FUQWCFJLXOEFPX-OAQYLSRUSA-N 1 1 383.492 3.994 20 5 GHBDMO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000509443711 859458780 /nfs/dbraw/zinc/45/87/80/859458780.db2.gz FUQWCFJLXOEFPX-OAQYLSRUSA-N 1 1 383.492 3.994 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000483575323 859460588 /nfs/dbraw/zinc/46/05/88/859460588.db2.gz ORKUYWAQGFXMBK-YLJYHZDGSA-N 1 1 394.475 3.895 20 5 GHBDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3c4ccccc4cc4ccccc43)C2)nn1 ZINC000761225332 859624458 /nfs/dbraw/zinc/62/44/58/859624458.db2.gz DFWPMLYSMGQUGI-SFHVURJKSA-N 1 1 386.455 3.818 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000611195299 859636608 /nfs/dbraw/zinc/63/66/08/859636608.db2.gz GTGDJZHADMIRCK-UHFFFAOYSA-N 1 1 392.459 3.733 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611212162 859645381 /nfs/dbraw/zinc/64/53/81/859645381.db2.gz VODSLUFAKLYMDV-UGSOOPFHSA-N 1 1 389.521 3.842 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000474234817 859671708 /nfs/dbraw/zinc/67/17/08/859671708.db2.gz TVOZGLZXRPDBJM-LJQANCHMSA-N 1 1 383.448 3.996 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000474234817 859671711 /nfs/dbraw/zinc/67/17/11/859671711.db2.gz TVOZGLZXRPDBJM-LJQANCHMSA-N 1 1 383.448 3.996 20 5 GHBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611299584 859691109 /nfs/dbraw/zinc/69/11/09/859691109.db2.gz KAAQIFXPIMQBDR-KBPBESRZSA-N 1 1 377.510 3.794 20 5 GHBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611299584 859691113 /nfs/dbraw/zinc/69/11/13/859691113.db2.gz KAAQIFXPIMQBDR-KBPBESRZSA-N 1 1 377.510 3.794 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000602019571 859705457 /nfs/dbraw/zinc/70/54/57/859705457.db2.gz HAWNJIUHOFPTDE-JXFKEZNVSA-N 1 1 377.448 3.607 20 5 GHBDMO C[N@H+]1CCCC12CCN(c1ccc(C(=O)c3ccccc3)cc1[N+](=O)[O-])CC2 ZINC000611398601 859737796 /nfs/dbraw/zinc/73/77/96/859737796.db2.gz KAMCRMVPFOTBHY-UHFFFAOYSA-N 1 1 379.460 3.890 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c([N+](=O)[O-])c1 ZINC001170345062 881458848 /nfs/dbraw/zinc/45/88/48/881458848.db2.gz GYHQXPSAQHXUIF-DYVFJYSZSA-N 1 1 392.402 3.966 20 5 GHBDMO C[C@@H](OC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000132585582 859817514 /nfs/dbraw/zinc/81/75/14/859817514.db2.gz STQYWMHRXZXQQA-JLTOFOAXSA-N 1 1 390.867 3.745 20 5 GHBDMO C[C@@H](OC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000132585582 859817525 /nfs/dbraw/zinc/81/75/25/859817525.db2.gz STQYWMHRXZXQQA-JLTOFOAXSA-N 1 1 390.867 3.745 20 5 GHBDMO CCC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146264 859832710 /nfs/dbraw/zinc/83/27/10/859832710.db2.gz NLRHGMJZDJBDKM-PMVMPFDFSA-N 1 1 397.519 3.909 20 5 GHBDMO CCC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146264 859832715 /nfs/dbraw/zinc/83/27/15/859832715.db2.gz NLRHGMJZDJBDKM-PMVMPFDFSA-N 1 1 397.519 3.909 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000484158423 859852533 /nfs/dbraw/zinc/85/25/33/859852533.db2.gz BQJARSWFOCFSKD-HZPDHXFCSA-N 1 1 385.468 3.736 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 ZINC000154050749 859976422 /nfs/dbraw/zinc/97/64/22/859976422.db2.gz JVMPVQBHHKEDOU-LLVKDONJSA-N 1 1 386.358 3.858 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1Br ZINC000602586054 860150779 /nfs/dbraw/zinc/15/07/79/860150779.db2.gz XFOXOOVZWDWWFV-CYBMUJFWSA-N 1 1 375.288 3.810 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1Br ZINC000602586054 860150789 /nfs/dbraw/zinc/15/07/89/860150789.db2.gz XFOXOOVZWDWWFV-CYBMUJFWSA-N 1 1 375.288 3.810 20 5 GHBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542659919 860197305 /nfs/dbraw/zinc/19/73/05/860197305.db2.gz SVKAKIOTMPLRJP-HNNXBMFYSA-N 1 1 391.537 3.949 20 5 GHBDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093324560 860249570 /nfs/dbraw/zinc/24/95/70/860249570.db2.gz CJJQVYFMRIGKCV-HNNXBMFYSA-N 1 1 380.448 3.764 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C2)nc1 ZINC000093534264 860297803 /nfs/dbraw/zinc/29/78/03/860297803.db2.gz GSYJVBFBOYGTAI-GOSISDBHSA-N 1 1 393.422 3.877 20 5 GHBDMO COc1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1SC ZINC000484816026 860384921 /nfs/dbraw/zinc/38/49/21/860384921.db2.gz BHMMEIGZMKNNPI-UHFFFAOYSA-N 1 1 395.525 3.710 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000301359889 860461585 /nfs/dbraw/zinc/46/15/85/860461585.db2.gz LWHOIKYSOFCTQP-ZBFHGGJFSA-N 1 1 385.493 3.793 20 5 GHBDMO Cc1ccc(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025534890 860534775 /nfs/dbraw/zinc/53/47/75/860534775.db2.gz LAPBKNIDLTYKBN-NRFANRHFSA-N 1 1 381.476 3.716 20 5 GHBDMO Cc1nn(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761290292 860626019 /nfs/dbraw/zinc/62/60/19/860626019.db2.gz GUZLTJPAWFTGCY-UHFFFAOYSA-N 1 1 384.411 3.893 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000429022818 860723004 /nfs/dbraw/zinc/72/30/04/860723004.db2.gz TZGMKQWRAVVOMQ-IIBYNOLFSA-N 1 1 391.512 3.556 20 5 GHBDMO Cc1[nH]c(C2CCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1C ZINC000899504224 860941457 /nfs/dbraw/zinc/94/14/57/860941457.db2.gz NBTNVXKGHYHZMN-AWEZNQCLSA-N 1 1 388.493 3.822 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000509091202 860969060 /nfs/dbraw/zinc/96/90/60/860969060.db2.gz WLPURDXMPKLLAH-UHFFFAOYSA-N 1 1 399.516 3.730 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@]3(CO)CCCc4ccccc43)co2)cc1 ZINC000281723023 863339245 /nfs/dbraw/zinc/33/92/45/863339245.db2.gz PITUCYQYFFMRBF-NRFANRHFSA-N 1 1 379.416 3.564 20 5 GHBDMO C[N@@H+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C2(CCCCC2)C1 ZINC000444112780 863458673 /nfs/dbraw/zinc/45/86/73/863458673.db2.gz DAARVTKHINJNHB-UHFFFAOYSA-N 1 1 389.499 3.772 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C2(CCCCC2)C1 ZINC000444112780 863458683 /nfs/dbraw/zinc/45/86/83/863458683.db2.gz DAARVTKHINJNHB-UHFFFAOYSA-N 1 1 389.499 3.772 20 5 GHBDMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000137511840 864548591 /nfs/dbraw/zinc/54/85/91/864548591.db2.gz DRXMTCPBSHISHU-QGZVFWFLSA-N 1 1 397.479 3.512 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000475215834 864585354 /nfs/dbraw/zinc/58/53/54/864585354.db2.gz MBPIXQJTSVIFJM-DGCLKSJQSA-N 1 1 388.390 3.950 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)s1 ZINC000554688359 864743486 /nfs/dbraw/zinc/74/34/86/864743486.db2.gz PSADCDSICSYFMS-AWEZNQCLSA-N 1 1 391.468 3.698 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480524438 864780711 /nfs/dbraw/zinc/78/07/11/864780711.db2.gz GINYUKGDICRYRX-GASCZTMLSA-N 1 1 379.526 3.805 20 5 GHBDMO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475322805 864800976 /nfs/dbraw/zinc/80/09/76/864800976.db2.gz SLELYZKRASLZSS-GOSISDBHSA-N 1 1 379.416 3.688 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000053303684 864809267 /nfs/dbraw/zinc/80/92/67/864809267.db2.gz VFINWUBNZFRPDZ-OKILXGFUSA-N 1 1 379.526 3.803 20 5 GHBDMO COCc1ccc([C@@H]2CCC[N@H+]2CCOc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000131109257 864998657 /nfs/dbraw/zinc/99/86/57/864998657.db2.gz VQCJCVIFULZDNW-INIZCTEOSA-N 1 1 376.409 3.559 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)c3cccc([N+](=O)[O-])c3)CCC[N@H+]2C)cc1 ZINC000735898367 865038654 /nfs/dbraw/zinc/03/86/54/865038654.db2.gz HMCJMBNDCBTEKE-FXAWDEMLSA-N 1 1 384.432 3.843 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H](O)c1ccc(C)cc1 ZINC000173831673 865093816 /nfs/dbraw/zinc/09/38/16/865093816.db2.gz BZMZZXHKLYCYNZ-HXUWFJFHSA-N 1 1 385.464 3.596 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000843804425 865141069 /nfs/dbraw/zinc/14/10/69/865141069.db2.gz YPVSQBCEEPHRBP-HNNXBMFYSA-N 1 1 385.439 3.779 20 5 GHBDMO O=C(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000740004531 865824098 /nfs/dbraw/zinc/82/40/98/865824098.db2.gz OYYDGCYIINACGL-UHFFFAOYSA-N 1 1 398.644 3.739 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CCO)c3cccs3)cs2)c1 ZINC000740900452 866089032 /nfs/dbraw/zinc/08/90/32/866089032.db2.gz QBOUUFBONMWQJM-OAHLLOKOSA-N 1 1 375.475 3.993 20 5 GHBDMO O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741327341 866408919 /nfs/dbraw/zinc/40/89/19/866408919.db2.gz GPHMPCJFICFWFK-HNNXBMFYSA-N 1 1 390.386 3.828 20 5 GHBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444614632 866954252 /nfs/dbraw/zinc/95/42/52/866954252.db2.gz XXIIEFUTAYTLAC-UHFFFAOYSA-N 1 1 395.478 3.672 20 5 GHBDMO Cc1c([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cnn1-c1ccc(F)cc1 ZINC000444685907 867030101 /nfs/dbraw/zinc/03/01/01/867030101.db2.gz BJPVPXLKJBZJSS-GFCCVEGCSA-N 1 1 394.410 3.955 20 5 GHBDMO Cc1c([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cnn1-c1ccc(F)cc1 ZINC000444685912 867030813 /nfs/dbraw/zinc/03/08/13/867030813.db2.gz BJPVPXLKJBZJSS-LBPRGKRZSA-N 1 1 394.410 3.955 20 5 GHBDMO C[C@@H]1C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1c1ccccc1 ZINC000742165954 867089084 /nfs/dbraw/zinc/08/90/84/867089084.db2.gz MVAWWHRKGFAXFY-OXQOHEQNSA-N 1 1 377.448 3.936 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000742545624 867363395 /nfs/dbraw/zinc/36/33/95/867363395.db2.gz UFERFEXTTKYPCZ-UHFFFAOYSA-N 1 1 391.309 3.755 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444994936 867591457 /nfs/dbraw/zinc/59/14/57/867591457.db2.gz FYQWGMQJOMOEMX-KRWDZBQOSA-N 1 1 389.499 3.676 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1c1ccccc1C(F)(F)F ZINC000479414732 867739847 /nfs/dbraw/zinc/73/98/47/867739847.db2.gz GAYORYQQMGSPPO-OAHLLOKOSA-N 1 1 397.328 3.648 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)cs2)c1 ZINC000594736785 868419646 /nfs/dbraw/zinc/41/96/46/868419646.db2.gz UYLAKJWQMUIQGN-QGZVFWFLSA-N 1 1 386.521 3.930 20 5 GHBDMO CC[N@H+]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000442731338 868523420 /nfs/dbraw/zinc/52/34/20/868523420.db2.gz INPYBDBQHGOJFH-UHFFFAOYSA-N 1 1 385.489 3.914 20 5 GHBDMO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000475630533 868628634 /nfs/dbraw/zinc/62/86/34/868628634.db2.gz GLQDLLBZEISWHE-UHFFFAOYSA-N 1 1 378.469 3.510 20 5 GHBDMO COc1ccc(CNc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000744447453 868850803 /nfs/dbraw/zinc/85/08/03/868850803.db2.gz PSZRPDBUAKEBGQ-MRXNPFEDSA-N 1 1 385.464 3.936 20 5 GHBDMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000122229404 869124584 /nfs/dbraw/zinc/12/45/84/869124584.db2.gz WROIYOBEJAFMII-IAGOWNOFSA-N 1 1 397.475 3.775 20 5 GHBDMO C[C@@H]1C[N@@H+](CCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000491262455 869277141 /nfs/dbraw/zinc/27/71/41/869277141.db2.gz YRMWXGOAUXQXDA-SVMVAKDDSA-N 1 1 383.492 3.773 20 5 GHBDMO C[C@@H]1C[N@H+](CCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000491262455 869277153 /nfs/dbraw/zinc/27/71/53/869277153.db2.gz YRMWXGOAUXQXDA-SVMVAKDDSA-N 1 1 383.492 3.773 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)nc1OCc1ccccc1 ZINC000462486149 869533405 /nfs/dbraw/zinc/53/34/05/869533405.db2.gz GRZJMNQIMOHMMI-UHFFFAOYSA-N 1 1 379.420 3.676 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441020210 869763997 /nfs/dbraw/zinc/76/39/97/869763997.db2.gz MQYFNRUZJNSGLK-FOIQADDNSA-N 1 1 383.448 3.556 20 5 GHBDMO CC1CC[NH+](Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC1 ZINC000443220886 869816172 /nfs/dbraw/zinc/81/61/72/869816172.db2.gz ITCBQWMBDIAQQZ-UHFFFAOYSA-N 1 1 395.257 3.563 20 5 GHBDMO CN(CC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000539833027 869874213 /nfs/dbraw/zinc/87/42/13/869874213.db2.gz KDRBYTCCAPMSBK-UHFFFAOYSA-N 1 1 379.464 3.564 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000525102310 870007144 /nfs/dbraw/zinc/00/71/44/870007144.db2.gz MZOFXLKXIGNABU-CABCVRRESA-N 1 1 399.447 3.608 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)cc([N+](=O)[O-])c1C ZINC000462777888 870048454 /nfs/dbraw/zinc/04/84/54/870048454.db2.gz UUEGMIUOBSQTGX-UHFFFAOYSA-N 1 1 380.404 3.967 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000525161730 870094206 /nfs/dbraw/zinc/09/42/06/870094206.db2.gz JUCGRIHHCLOQEK-QGZVFWFLSA-N 1 1 381.476 3.828 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c1 ZINC000460135928 870228487 /nfs/dbraw/zinc/22/84/87/870228487.db2.gz DOKVTRIMZNNTLZ-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c1 ZINC000460135928 870228499 /nfs/dbraw/zinc/22/84/99/870228499.db2.gz DOKVTRIMZNNTLZ-IYBDPMFKSA-N 1 1 383.448 3.765 20 5 GHBDMO COc1cccc(OCC[NH+]2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC001192401933 870372507 /nfs/dbraw/zinc/37/25/07/870372507.db2.gz QNJSGPRXYQGTRA-GOSISDBHSA-N 1 1 399.491 3.669 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355173 870428659 /nfs/dbraw/zinc/42/86/59/870428659.db2.gz UXNHGGPWOOYUHT-KRWDZBQOSA-N 1 1 390.528 3.727 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000525383024 870538558 /nfs/dbraw/zinc/53/85/58/870538558.db2.gz PPIHRFXWNKXUBC-GOSISDBHSA-N 1 1 395.503 3.995 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(OCc4ccncc4)cc3)nc2c1 ZINC000446839434 870562040 /nfs/dbraw/zinc/56/20/40/870562040.db2.gz ABPHJHQQXHHHRT-UHFFFAOYSA-N 1 1 389.415 3.735 20 5 GHBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000538758092 870582106 /nfs/dbraw/zinc/58/21/06/870582106.db2.gz ZAVCMVRZFIBHPT-ZDUSSCGKSA-N 1 1 391.855 3.854 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC[C@@H]4CCCC4(F)F)CC3)nc2c1 ZINC001193188496 870960882 /nfs/dbraw/zinc/96/08/82/870960882.db2.gz MLXLZABGUVYFJJ-AWEZNQCLSA-N 1 1 393.438 3.809 20 5 GHBDMO O=[N+]([O-])c1ccc(CN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000429698537 871049002 /nfs/dbraw/zinc/04/90/02/871049002.db2.gz NRLJZJLCVDJPTR-HSZRJFAPSA-N 1 1 395.503 3.850 20 5 GHBDMO C[N@@H+](C1CN(C(c2ccccc2)c2ccccc2)C1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036920 871115507 /nfs/dbraw/zinc/11/55/07/871115507.db2.gz QUOSDLGKPMEORP-NQIIRXRSSA-N 1 1 379.504 3.837 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](c2cccs2)C1 ZINC001169047893 871130637 /nfs/dbraw/zinc/13/06/37/871130637.db2.gz SKKYZXGDDRZFHH-ARFHVFGLSA-N 1 1 395.525 3.787 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](c2cccs2)C1 ZINC001169047893 871130648 /nfs/dbraw/zinc/13/06/48/871130648.db2.gz SKKYZXGDDRZFHH-ARFHVFGLSA-N 1 1 395.525 3.787 20 5 GHBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000181567503 871181261 /nfs/dbraw/zinc/18/12/61/871181261.db2.gz VVTPOGCRMFVGKY-OAHLLOKOSA-N 1 1 379.526 3.803 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000766594932 871247753 /nfs/dbraw/zinc/24/77/53/871247753.db2.gz PEUXZTABOHZELD-KBPBESRZSA-N 1 1 389.402 3.608 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000766594932 871247772 /nfs/dbraw/zinc/24/77/72/871247772.db2.gz PEUXZTABOHZELD-KBPBESRZSA-N 1 1 389.402 3.608 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000122352968 871260950 /nfs/dbraw/zinc/26/09/50/871260950.db2.gz RRRKXGAGJFFLGH-UHFFFAOYSA-N 1 1 396.491 3.964 20 5 GHBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525709263 871270979 /nfs/dbraw/zinc/27/09/79/871270979.db2.gz JJGKKBGERMNCHE-VQIMIIECSA-N 1 1 399.491 3.755 20 5 GHBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000525779667 871423410 /nfs/dbraw/zinc/42/34/10/871423410.db2.gz OBZCPNJGVQYTPS-HNNXBMFYSA-N 1 1 387.402 3.608 20 5 GHBDMO Cc1ccc([C@@H](C)[NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1[N+](=O)[O-] ZINC000181828917 871525265 /nfs/dbraw/zinc/52/52/65/871525265.db2.gz YSGMEEVESAXEJJ-LLVKDONJSA-N 1 1 384.461 3.541 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC[C@H]21 ZINC000618587926 871735341 /nfs/dbraw/zinc/73/53/41/871735341.db2.gz BKUFGZVBUVBNOG-GHMZBOCLSA-N 1 1 394.344 3.564 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462182809 871784770 /nfs/dbraw/zinc/78/47/70/871784770.db2.gz QJWFXNHWUHNQDP-NQSCKRDGSA-N 1 1 395.503 3.800 20 5 GHBDMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC000552045368 871929652 /nfs/dbraw/zinc/92/96/52/871929652.db2.gz FIJTUQHNXQLAMH-GUDVDZBRSA-N 1 1 386.496 3.991 20 5 GHBDMO Cc1ccc(NCCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1Br ZINC000804342377 872039421 /nfs/dbraw/zinc/03/94/21/872039421.db2.gz JBMMXEZOJDYKTR-UHFFFAOYSA-N 1 1 379.258 3.853 20 5 GHBDMO CCOC(=O)c1cc(N2CCC(Oc3cc[nH+]cc3C)CC2)ccc1[N+](=O)[O-] ZINC000447673453 872075828 /nfs/dbraw/zinc/07/58/28/872075828.db2.gz UNBUDZCQBYPVTP-UHFFFAOYSA-N 1 1 385.420 3.523 20 5 GHBDMO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000552223166 872242365 /nfs/dbraw/zinc/24/23/65/872242365.db2.gz AEEBMOGDZUIBFR-OXQOHEQNSA-N 1 1 379.464 3.532 20 5 GHBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000767501662 872558238 /nfs/dbraw/zinc/55/82/38/872558238.db2.gz VSMMLRJGRFCMTB-UHFFFAOYSA-N 1 1 394.431 3.959 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](CC2CC2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000475713538 882632750 /nfs/dbraw/zinc/63/27/50/882632750.db2.gz GJZOPSBFRHEZFW-UHFFFAOYSA-N 1 1 376.453 3.691 20 5 GHBDMO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCc2ccc(Cl)cc21 ZINC001195766360 872623907 /nfs/dbraw/zinc/62/39/07/872623907.db2.gz DGTZGBCPGLXDCS-CQSZACIVSA-N 1 1 387.867 3.873 20 5 GHBDMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCc2ccc(Cl)cc21 ZINC001195766360 872623925 /nfs/dbraw/zinc/62/39/25/872623925.db2.gz DGTZGBCPGLXDCS-CQSZACIVSA-N 1 1 387.867 3.873 20 5 GHBDMO COc1ccc([C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000619477265 872673411 /nfs/dbraw/zinc/67/34/11/872673411.db2.gz BOPUWFYOHANDNL-OAQYLSRUSA-N 1 1 391.427 3.582 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001195863791 872722743 /nfs/dbraw/zinc/72/27/43/872722743.db2.gz VUQAIDRQDNIQPN-YWZLYKJASA-N 1 1 393.459 3.861 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1OC ZINC000541059227 872818614 /nfs/dbraw/zinc/81/86/14/872818614.db2.gz IBOKXXIHHNOPJM-AUUYWEPGSA-N 1 1 380.485 3.764 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001196135513 872891699 /nfs/dbraw/zinc/89/16/99/872891699.db2.gz XKEGTHVUASCELK-QVKFZJNVSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001196135513 872891717 /nfs/dbraw/zinc/89/17/17/872891717.db2.gz XKEGTHVUASCELK-QVKFZJNVSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000541318845 873361438 /nfs/dbraw/zinc/36/14/38/873361438.db2.gz IQTHOZMWXVUWQN-JLTOFOAXSA-N 1 1 383.448 3.933 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000541318845 873361450 /nfs/dbraw/zinc/36/14/50/873361450.db2.gz IQTHOZMWXVUWQN-JLTOFOAXSA-N 1 1 383.448 3.933 20 5 GHBDMO Cc1c(O)ccc2c(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc(=O)oc12 ZINC000768553942 873382210 /nfs/dbraw/zinc/38/22/10/873382210.db2.gz SVLQZHQYIUXRTJ-UHFFFAOYSA-N 1 1 380.400 3.880 20 5 GHBDMO Cc1c(O)ccc2c(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc(=O)oc12 ZINC000768553942 873382218 /nfs/dbraw/zinc/38/22/18/873382218.db2.gz SVLQZHQYIUXRTJ-UHFFFAOYSA-N 1 1 380.400 3.880 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000768554416 873383503 /nfs/dbraw/zinc/38/35/03/873383503.db2.gz WHHKAQVDPHUQSB-MRXNPFEDSA-N 1 1 389.427 3.828 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000768554416 873383514 /nfs/dbraw/zinc/38/35/14/873383514.db2.gz WHHKAQVDPHUQSB-MRXNPFEDSA-N 1 1 389.427 3.828 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023372 882744312 /nfs/dbraw/zinc/74/43/12/882744312.db2.gz LQQVFVOTFSBFGR-IBGZPJMESA-N 1 1 383.448 3.919 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023372 882744324 /nfs/dbraw/zinc/74/43/24/882744324.db2.gz LQQVFVOTFSBFGR-IBGZPJMESA-N 1 1 383.448 3.919 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001197201616 873648302 /nfs/dbraw/zinc/64/83/02/873648302.db2.gz GHCOMCMWIFWKRQ-ZDUSSCGKSA-N 1 1 382.420 3.544 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001197201616 873648311 /nfs/dbraw/zinc/64/83/11/873648311.db2.gz GHCOMCMWIFWKRQ-ZDUSSCGKSA-N 1 1 382.420 3.544 20 5 GHBDMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000541583368 873871224 /nfs/dbraw/zinc/87/12/24/873871224.db2.gz RAIVSBYBAMWZDN-DLBZAZTESA-N 1 1 399.466 3.960 20 5 GHBDMO Cc1c(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001197758415 873998232 /nfs/dbraw/zinc/99/82/32/873998232.db2.gz IPTDYWAMFBGQPY-GDBMZVCRSA-N 1 1 377.485 3.886 20 5 GHBDMO COc1ccc(C[N@H+]2CCOC[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000769455712 874081296 /nfs/dbraw/zinc/08/12/96/874081296.db2.gz JNLQNRKCAQZIKX-MRXNPFEDSA-N 1 1 386.448 3.651 20 5 GHBDMO C[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000464831447 874601796 /nfs/dbraw/zinc/60/17/96/874601796.db2.gz AEGQHJDRMZWEQG-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000464831447 874601806 /nfs/dbraw/zinc/60/18/06/874601806.db2.gz AEGQHJDRMZWEQG-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000464831447 874601821 /nfs/dbraw/zinc/60/18/21/874601821.db2.gz AEGQHJDRMZWEQG-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO Cc1ccc(C[N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001198769901 874623570 /nfs/dbraw/zinc/62/35/70/874623570.db2.gz PKWZQXMMTOSGMC-UHFFFAOYSA-N 1 1 377.485 3.982 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H](c2ccco2)C1 ZINC000464857464 874654520 /nfs/dbraw/zinc/65/45/20/874654520.db2.gz NTNQLYMRCRDPCN-ZBFHGGJFSA-N 1 1 385.420 3.959 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(F)c3Br)CC2)n1 ZINC000449289180 874699928 /nfs/dbraw/zinc/69/99/28/874699928.db2.gz RARBTFFZHVLSHM-UHFFFAOYSA-N 1 1 383.221 3.530 20 5 GHBDMO COc1cc(C[NH2+]Cc2cnccc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449523018 874997874 /nfs/dbraw/zinc/99/78/74/874997874.db2.gz KNBQWBRJNUTGAO-UHFFFAOYSA-N 1 1 385.342 3.538 20 5 GHBDMO O=C(CSc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000542213609 875164815 /nfs/dbraw/zinc/16/48/15/875164815.db2.gz NCPYIKXHJWFPHI-INIZCTEOSA-N 1 1 383.473 3.698 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC001199855576 875206587 /nfs/dbraw/zinc/20/65/87/875206587.db2.gz NOYHLBZPRCUYKX-ZDUSSCGKSA-N 1 1 376.844 3.890 20 5 GHBDMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105464811 875300522 /nfs/dbraw/zinc/30/05/22/875300522.db2.gz JUJWDPIURPYYIP-MRXNPFEDSA-N 1 1 386.471 3.727 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000460723081 875819807 /nfs/dbraw/zinc/81/98/07/875819807.db2.gz DRNHBSRSHGPGML-QGZVFWFLSA-N 1 1 381.476 3.686 20 5 GHBDMO CCOc1cc(C[NH2+][C@@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000491606786 875838751 /nfs/dbraw/zinc/83/87/51/875838751.db2.gz IWJSJFGBNDJABI-HNNXBMFYSA-N 1 1 395.253 3.579 20 5 GHBDMO O=[N+]([O-])c1cccc2c1ccnc2NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000450260187 876177651 /nfs/dbraw/zinc/17/76/51/876177651.db2.gz BCGHCVVSLJICBL-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO CS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC001202398505 876200217 /nfs/dbraw/zinc/20/02/17/876200217.db2.gz PSXMNSKLWDETKW-UHFFFAOYSA-N 1 1 386.429 3.548 20 5 GHBDMO CC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450424356 876389412 /nfs/dbraw/zinc/38/94/12/876389412.db2.gz QMNMQXODPWFMNW-ZBFHGGJFSA-N 1 1 379.823 3.733 20 5 GHBDMO CC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450424356 876389425 /nfs/dbraw/zinc/38/94/25/876389425.db2.gz QMNMQXODPWFMNW-ZBFHGGJFSA-N 1 1 379.823 3.733 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3C(C)=O)C2)cc(OC)c1 ZINC000804543641 883036800 /nfs/dbraw/zinc/03/68/00/883036800.db2.gz YSQGAVWFINHVSN-MRXNPFEDSA-N 1 1 399.447 3.501 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3C(C)=O)C2)cc(OC)c1 ZINC000804543641 883036815 /nfs/dbraw/zinc/03/68/15/883036815.db2.gz YSQGAVWFINHVSN-MRXNPFEDSA-N 1 1 399.447 3.501 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746662558 877248894 /nfs/dbraw/zinc/24/88/94/877248894.db2.gz DZPWKIIVAXBDCM-CYBMUJFWSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746662558 877248906 /nfs/dbraw/zinc/24/89/06/877248906.db2.gz DZPWKIIVAXBDCM-CYBMUJFWSA-N 1 1 383.876 3.985 20 5 GHBDMO Cc1[nH+]ccn1CCOC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000787246718 877261872 /nfs/dbraw/zinc/26/18/72/877261872.db2.gz KDUUONIKVZKASV-UHFFFAOYSA-N 1 1 381.388 3.536 20 5 GHBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492676576 877328506 /nfs/dbraw/zinc/32/85/06/877328506.db2.gz RLCZUMYDWYCKET-WBVHZDCISA-N 1 1 377.485 3.510 20 5 GHBDMO NC(=O)CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000122076576 877344747 /nfs/dbraw/zinc/34/47/47/877344747.db2.gz LGOKLAVIVCFVIU-UHFFFAOYSA-N 1 1 396.472 3.596 20 5 GHBDMO NC(=O)CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000122076576 877344766 /nfs/dbraw/zinc/34/47/66/877344766.db2.gz LGOKLAVIVCFVIU-UHFFFAOYSA-N 1 1 396.472 3.596 20 5 GHBDMO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610062119 877346156 /nfs/dbraw/zinc/34/61/56/877346156.db2.gz PFYBEQOIZGJSND-LJQANCHMSA-N 1 1 395.503 3.901 20 5 GHBDMO O=C(CC[C@@H]1CC1(Cl)Cl)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035469 877359632 /nfs/dbraw/zinc/35/96/32/877359632.db2.gz NWJXEMUKSHQVFY-HIFRSBDPSA-N 1 1 387.263 3.686 20 5 GHBDMO O=C(CC[C@@H]1CC1(Cl)Cl)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035469 877359646 /nfs/dbraw/zinc/35/96/46/877359646.db2.gz NWJXEMUKSHQVFY-HIFRSBDPSA-N 1 1 387.263 3.686 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000492696020 877362963 /nfs/dbraw/zinc/36/29/63/877362963.db2.gz LROZROUXQLFRGD-UHFFFAOYSA-N 1 1 397.475 3.696 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000064735163 877369517 /nfs/dbraw/zinc/36/95/17/877369517.db2.gz BYRMYORBABTZQM-ZNMIVQPWSA-N 1 1 377.510 3.794 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000195684759 877433871 /nfs/dbraw/zinc/43/38/71/877433871.db2.gz ZERXZRNIKDAUNW-INIZCTEOSA-N 1 1 396.491 3.941 20 5 GHBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160432 877465001 /nfs/dbraw/zinc/46/50/01/877465001.db2.gz NMTNIWNBVBEZPP-AUUYWEPGSA-N 1 1 375.856 3.950 20 5 GHBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160432 877465004 /nfs/dbraw/zinc/46/50/04/877465004.db2.gz NMTNIWNBVBEZPP-AUUYWEPGSA-N 1 1 375.856 3.950 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c2c(c1)COCO2 ZINC000477488479 877691906 /nfs/dbraw/zinc/69/19/06/877691906.db2.gz XIBDWYNUTIBINB-QGZVFWFLSA-N 1 1 384.388 3.527 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c2c(c1)COCO2 ZINC000477488479 877691910 /nfs/dbraw/zinc/69/19/10/877691910.db2.gz XIBDWYNUTIBINB-QGZVFWFLSA-N 1 1 384.388 3.527 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451347695 877797476 /nfs/dbraw/zinc/79/74/76/877797476.db2.gz UMRLYLPMHURXHH-AXYPVASZSA-N 1 1 395.887 3.591 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451347695 877797494 /nfs/dbraw/zinc/79/74/94/877797494.db2.gz UMRLYLPMHURXHH-AXYPVASZSA-N 1 1 395.887 3.591 20 5 GHBDMO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000851868089 877950581 /nfs/dbraw/zinc/95/05/81/877950581.db2.gz OGZGVXZIHCEARM-CZUORRHYSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000851868089 877950590 /nfs/dbraw/zinc/95/05/90/877950590.db2.gz OGZGVXZIHCEARM-CZUORRHYSA-N 1 1 381.448 3.859 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000795680722 912325364 /nfs/dbraw/zinc/32/53/64/912325364.db2.gz PQIWWRRHQNWFDQ-MISYRCLQSA-N 1 1 377.448 3.874 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)s1 ZINC000852774579 878590969 /nfs/dbraw/zinc/59/09/69/878590969.db2.gz WMUBQBBITKYAGV-LLVKDONJSA-N 1 1 395.868 3.871 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)s1 ZINC000852774579 878590981 /nfs/dbraw/zinc/59/09/81/878590981.db2.gz WMUBQBBITKYAGV-LLVKDONJSA-N 1 1 395.868 3.871 20 5 GHBDMO C[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000597204907 878724545 /nfs/dbraw/zinc/72/45/45/878724545.db2.gz HACLOBWXNUGDID-HNNXBMFYSA-N 1 1 392.839 3.888 20 5 GHBDMO CCOc1cc(C[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000452107685 878991882 /nfs/dbraw/zinc/99/18/82/878991882.db2.gz BVDSTKODLMYEED-UHFFFAOYSA-N 1 1 389.418 3.842 20 5 GHBDMO CCOc1cc(CN(C)C2CC[NH+](CCC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000452107685 878991889 /nfs/dbraw/zinc/99/18/89/878991889.db2.gz BVDSTKODLMYEED-UHFFFAOYSA-N 1 1 389.418 3.842 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000617000101 879307179 /nfs/dbraw/zinc/30/71/79/879307179.db2.gz SOYAZKZTJYWMGY-HNNXBMFYSA-N 1 1 377.488 3.532 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000452319032 879307950 /nfs/dbraw/zinc/30/79/50/879307950.db2.gz DEPXNAMCEJEXKS-LBPRGKRZSA-N 1 1 385.386 3.560 20 5 GHBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@H]2C1 ZINC000493343005 879388902 /nfs/dbraw/zinc/38/89/02/879388902.db2.gz AZUKXSJWAYIVAY-YWZLYKJASA-N 1 1 397.500 3.912 20 5 GHBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001202489719 879464907 /nfs/dbraw/zinc/46/49/07/879464907.db2.gz FSBASCCWYJCDDZ-LLVKDONJSA-N 1 1 376.379 3.856 20 5 GHBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000493476490 879470121 /nfs/dbraw/zinc/47/01/21/879470121.db2.gz CUVQIDUHNVJYPZ-YWZLYKJASA-N 1 1 380.448 3.505 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790169342 879504993 /nfs/dbraw/zinc/50/49/93/879504993.db2.gz MNRMHATXRLHQOA-MJGOQNOKSA-N 1 1 383.423 3.799 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494045565 879851254 /nfs/dbraw/zinc/85/12/54/879851254.db2.gz BBRSRFBNELJKPS-CYBMUJFWSA-N 1 1 382.420 3.544 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494099699 879888620 /nfs/dbraw/zinc/88/86/20/879888620.db2.gz JFJNCBIRFXUTHL-IEBWSBKVSA-N 1 1 389.402 3.827 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494099699 879888633 /nfs/dbraw/zinc/88/86/33/879888633.db2.gz JFJNCBIRFXUTHL-IEBWSBKVSA-N 1 1 389.402 3.827 20 5 GHBDMO C[N@@H+](Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000531631569 880219309 /nfs/dbraw/zinc/21/93/09/880219309.db2.gz JIJZEOPKJNAASJ-UHFFFAOYSA-N 1 1 382.464 3.684 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(CN3CCC[N@H+](C4CCCC4)CC3)c2c(Cl)c1 ZINC000774634872 912552182 /nfs/dbraw/zinc/55/21/82/912552182.db2.gz FWVHCQSNQUBWJC-UHFFFAOYSA-N 1 1 377.876 3.506 20 5 GHBDMO COc1cc(F)cc(C[C@H](C)[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000453414341 880879219 /nfs/dbraw/zinc/87/92/19/880879219.db2.gz YOQJDOLWCUCCRD-VBKZILBWSA-N 1 1 398.438 3.786 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000609383378 883126051 /nfs/dbraw/zinc/12/60/51/883126051.db2.gz YLPLIJJRPRQOOO-OAHLLOKOSA-N 1 1 379.526 3.805 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1Cl ZINC000175025703 883189369 /nfs/dbraw/zinc/18/93/69/883189369.db2.gz LNIGFHJTGXENGU-OAHLLOKOSA-N 1 1 382.247 3.934 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])cc1 ZINC000609450478 883208715 /nfs/dbraw/zinc/20/87/15/883208715.db2.gz ZBBNBDIZDRORBM-HNNXBMFYSA-N 1 1 385.489 3.831 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])cc1 ZINC000609450478 883208732 /nfs/dbraw/zinc/20/87/32/883208732.db2.gz ZBBNBDIZDRORBM-HNNXBMFYSA-N 1 1 385.489 3.831 20 5 GHBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000804812415 883373862 /nfs/dbraw/zinc/37/38/62/883373862.db2.gz NRPBIPROZJQUPI-OAQYLSRUSA-N 1 1 385.439 3.845 20 5 GHBDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000537695664 883396993 /nfs/dbraw/zinc/39/69/93/883396993.db2.gz AFVRRTBVFVXWBO-QVKFZJNVSA-N 1 1 392.459 3.819 20 5 GHBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000609625551 883447686 /nfs/dbraw/zinc/44/76/86/883447686.db2.gz KQPXIXYSULPCPT-UHFFFAOYSA-N 1 1 383.492 3.960 20 5 GHBDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000609767193 883623624 /nfs/dbraw/zinc/62/36/24/883623624.db2.gz HXDUZXMXGPGKDY-GOSISDBHSA-N 1 1 381.432 3.902 20 5 GHBDMO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609772951 883634086 /nfs/dbraw/zinc/63/40/86/883634086.db2.gz KUISJUXMYOSESW-QGZVFWFLSA-N 1 1 396.447 3.993 20 5 GHBDMO O=c1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000286408157 912733916 /nfs/dbraw/zinc/73/39/16/912733916.db2.gz HTCNQNVOPCJNKS-RDJZCZTQSA-N 1 1 391.389 3.939 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000175416007 883774835 /nfs/dbraw/zinc/77/48/35/883774835.db2.gz YGNRJHUJRRIPPA-INIZCTEOSA-N 1 1 387.867 3.842 20 5 GHBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000897962401 884529279 /nfs/dbraw/zinc/52/92/79/884529279.db2.gz ZFDNDYRJVMKGME-SECBINFHSA-N 1 1 378.231 3.502 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000487850872 884710800 /nfs/dbraw/zinc/71/08/00/884710800.db2.gz MFDAESJPVBWJKW-MRXNPFEDSA-N 1 1 376.501 3.784 20 5 GHBDMO COc1ccc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001130668726 884809348 /nfs/dbraw/zinc/80/93/48/884809348.db2.gz PNUUNDVEKJBBTN-GVDBMIGSSA-N 1 1 397.475 3.727 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000176583619 884869268 /nfs/dbraw/zinc/86/92/68/884869268.db2.gz VFNNVBGOHSPPGR-UPCZABBQSA-N 1 1 379.460 3.777 20 5 GHBDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001131027677 885645240 /nfs/dbraw/zinc/64/52/40/885645240.db2.gz ONCSFXGZZWJXLM-NRFANRHFSA-N 1 1 381.476 3.886 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000532570815 886137392 /nfs/dbraw/zinc/13/73/92/886137392.db2.gz CKIOJKREACKJSE-MRXNPFEDSA-N 1 1 385.464 3.803 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(OCc4ccc(F)cc4)CC3)c2c1 ZINC000118969478 886469047 /nfs/dbraw/zinc/46/90/47/886469047.db2.gz LXUBBNAZMGTPRN-UHFFFAOYSA-N 1 1 384.411 3.722 20 5 GHBDMO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000762632737 886574230 /nfs/dbraw/zinc/57/42/30/886574230.db2.gz JAXOJTFXVANWCI-BZNIZROVSA-N 1 1 388.811 3.682 20 5 GHBDMO Cc1c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000454201367 886630393 /nfs/dbraw/zinc/63/03/93/886630393.db2.gz PFXNMYUFZCRXJR-INIZCTEOSA-N 1 1 382.464 3.889 20 5 GHBDMO C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272373145 887340423 /nfs/dbraw/zinc/34/04/23/887340423.db2.gz CBPTXQQHBIKFDM-HIFRSBDPSA-N 1 1 389.402 3.513 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000762975430 887476344 /nfs/dbraw/zinc/47/63/44/887476344.db2.gz WCLMLYSZBHOORN-PAXLWEDBSA-N 1 1 379.460 3.841 20 5 GHBDMO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272493689 887583562 /nfs/dbraw/zinc/58/35/62/887583562.db2.gz FGVJYVVPGFDBDP-XMCHAPAWSA-N 1 1 398.438 3.659 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272528927 887630958 /nfs/dbraw/zinc/63/09/58/887630958.db2.gz MOIAGADHYIRUMH-HKUYNNGSSA-N 1 1 384.480 3.889 20 5 GHBDMO CCOc1cccc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272536212 887657562 /nfs/dbraw/zinc/65/75/62/887657562.db2.gz OCYVPMKUILTRBO-HXUWFJFHSA-N 1 1 380.448 3.649 20 5 GHBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000809696630 887672435 /nfs/dbraw/zinc/67/24/35/887672435.db2.gz NLYWPMAYIGNETB-QGZVFWFLSA-N 1 1 398.337 3.782 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000809770607 887758782 /nfs/dbraw/zinc/75/87/82/887758782.db2.gz CNPNJNGHXPHWAT-UPEZTMAHSA-N 1 1 375.469 3.986 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809911690 887930576 /nfs/dbraw/zinc/93/05/76/887930576.db2.gz UFZRMIZIGKDKOK-UHFFFAOYSA-N 1 1 380.832 3.827 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000272588246 887942103 /nfs/dbraw/zinc/94/21/03/887942103.db2.gz ZRVXYPPFVZAJKO-UZLBHIALSA-N 1 1 378.432 3.574 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](COc4ccccc4)C3)o2)cc1 ZINC000272596607 887985755 /nfs/dbraw/zinc/98/57/55/887985755.db2.gz QHJWRWYZDZANQV-HNNXBMFYSA-N 1 1 380.404 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](COc4ccccc4)C3)o2)cc1 ZINC000272596607 887985767 /nfs/dbraw/zinc/98/57/67/887985767.db2.gz QHJWRWYZDZANQV-HNNXBMFYSA-N 1 1 380.404 3.546 20 5 GHBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809996082 888053731 /nfs/dbraw/zinc/05/37/31/888053731.db2.gz RKJWQWRBCIWGLL-GFCCVEGCSA-N 1 1 388.295 3.587 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC001132086317 888216467 /nfs/dbraw/zinc/21/64/67/888216467.db2.gz LLJWRGQDQZLVQP-NVXWUHKLSA-N 1 1 385.439 3.540 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCO[C@H](c4ccccc4)C3)o2)cc1 ZINC000609234583 888246967 /nfs/dbraw/zinc/24/69/67/888246967.db2.gz WMEVHAUZFAKYRU-SFHVURJKSA-N 1 1 380.404 3.608 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCO[C@H](c4ccccc4)C3)o2)cc1 ZINC000609234583 888246980 /nfs/dbraw/zinc/24/69/80/888246980.db2.gz WMEVHAUZFAKYRU-SFHVURJKSA-N 1 1 380.404 3.608 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001132307114 888580132 /nfs/dbraw/zinc/58/01/32/888580132.db2.gz LIWNRQIEAYJDGX-SJLPKXTDSA-N 1 1 399.516 3.571 20 5 GHBDMO COc1ccccc1[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000032695201 888705229 /nfs/dbraw/zinc/70/52/29/888705229.db2.gz FAWOTWCVZOVKTG-IBGZPJMESA-N 1 1 399.491 3.934 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccc(F)cc1 ZINC000532929498 889303128 /nfs/dbraw/zinc/30/31/28/889303128.db2.gz ZZTWUDHPRWKTPD-UHFFFAOYSA-N 1 1 389.427 3.983 20 5 GHBDMO Cc1c(NC(=O)CCN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000533052643 889630339 /nfs/dbraw/zinc/63/03/39/889630339.db2.gz LJUDKVDLUSCLEY-JZXOWHBKSA-N 1 1 388.512 3.569 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000454758786 889698103 /nfs/dbraw/zinc/69/81/03/889698103.db2.gz LAURCDYBYJXRIQ-ROUUACIJSA-N 1 1 396.491 3.819 20 5 GHBDMO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533247739 890086538 /nfs/dbraw/zinc/08/65/38/890086538.db2.gz ACCHPOPGGDMOAU-LBPRGKRZSA-N 1 1 391.374 3.864 20 5 GHBDMO C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533247739 890086553 /nfs/dbraw/zinc/08/65/53/890086553.db2.gz ACCHPOPGGDMOAU-LBPRGKRZSA-N 1 1 391.374 3.864 20 5 GHBDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533251871 890097838 /nfs/dbraw/zinc/09/78/38/890097838.db2.gz YMXXGPHUTGXBPG-QGZVFWFLSA-N 1 1 393.365 3.851 20 5 GHBDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533251871 890097850 /nfs/dbraw/zinc/09/78/50/890097850.db2.gz YMXXGPHUTGXBPG-QGZVFWFLSA-N 1 1 393.365 3.851 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C(C)C)c([N+](=O)[O-])c1 ZINC000533252252 890099354 /nfs/dbraw/zinc/09/93/54/890099354.db2.gz ABSIMONEUKOBHZ-UHFFFAOYSA-N 1 1 375.400 3.592 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C(C)C)c([N+](=O)[O-])c1 ZINC000533252252 890099369 /nfs/dbraw/zinc/09/93/69/890099369.db2.gz ABSIMONEUKOBHZ-UHFFFAOYSA-N 1 1 375.400 3.592 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533429135 890540998 /nfs/dbraw/zinc/54/09/98/890540998.db2.gz NGGJOQMIGWDKDU-MORSLUCNSA-N 1 1 395.887 3.712 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)[C@H](O)c1ccccc1 ZINC000812854208 891048410 /nfs/dbraw/zinc/04/84/10/891048410.db2.gz PUSTXQYDDJJVRD-IERDGZPVSA-N 1 1 385.464 3.676 20 5 GHBDMO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872060832 891133803 /nfs/dbraw/zinc/13/38/03/891133803.db2.gz URGAIABUWOZMOQ-MAUKXSAKSA-N 1 1 387.455 3.541 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(c2ccc(F)cc2)CC1 ZINC000813170688 891328448 /nfs/dbraw/zinc/32/84/48/891328448.db2.gz JYFUPGOZEJRLOK-IBGZPJMESA-N 1 1 384.407 3.583 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(c2ccc(F)cc2)CC1 ZINC000813170688 891328464 /nfs/dbraw/zinc/32/84/64/891328464.db2.gz JYFUPGOZEJRLOK-IBGZPJMESA-N 1 1 384.407 3.583 20 5 GHBDMO CC(C)[C@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC000813171867 891330172 /nfs/dbraw/zinc/33/01/72/891330172.db2.gz VZXQMFLUPMXCAB-PMACEKPBSA-N 1 1 383.448 3.547 20 5 GHBDMO CC(C)[C@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC000813171867 891330187 /nfs/dbraw/zinc/33/01/87/891330187.db2.gz VZXQMFLUPMXCAB-PMACEKPBSA-N 1 1 383.448 3.547 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000813171613 891331183 /nfs/dbraw/zinc/33/11/83/891331183.db2.gz NCZFVARQXLWSPB-XUVXKRRUSA-N 1 1 384.407 3.655 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000813171613 891331193 /nfs/dbraw/zinc/33/11/93/891331193.db2.gz NCZFVARQXLWSPB-XUVXKRRUSA-N 1 1 384.407 3.655 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCCc2sccc21 ZINC000813172174 891334226 /nfs/dbraw/zinc/33/42/26/891334226.db2.gz GUVZPCJZTTZXOX-WMZOPIPTSA-N 1 1 386.473 3.894 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCCc2sccc21 ZINC000813172174 891334237 /nfs/dbraw/zinc/33/42/37/891334237.db2.gz GUVZPCJZTTZXOX-WMZOPIPTSA-N 1 1 386.473 3.894 20 5 GHBDMO CC(C)[C@@H]1C[C@@H](CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCO1 ZINC000813172632 891334376 /nfs/dbraw/zinc/33/43/76/891334376.db2.gz PFRTYPDHALGESH-VDGAXYAQSA-N 1 1 390.480 3.554 20 5 GHBDMO CC(C)[C@@H]1C[C@@H](CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCO1 ZINC000813172632 891334388 /nfs/dbraw/zinc/33/43/88/891334388.db2.gz PFRTYPDHALGESH-VDGAXYAQSA-N 1 1 390.480 3.554 20 5 GHBDMO Cc1ccc([C@@H](C)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000191837689 891563360 /nfs/dbraw/zinc/56/33/60/891563360.db2.gz BRITUFCBBNCJLI-WIYYLYMNSA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000191837689 891563376 /nfs/dbraw/zinc/56/33/76/891563376.db2.gz BRITUFCBBNCJLI-WIYYLYMNSA-N 1 1 383.492 3.845 20 5 GHBDMO COc1cccc(NC2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000110037376 891581730 /nfs/dbraw/zinc/58/17/30/891581730.db2.gz RCOCPQXSNLAYKM-HNNXBMFYSA-N 1 1 398.463 3.507 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067661824 891629095 /nfs/dbraw/zinc/62/90/95/891629095.db2.gz MCQAHCINYPLDIF-SFHVURJKSA-N 1 1 382.464 3.937 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000179241198 891675634 /nfs/dbraw/zinc/67/56/34/891675634.db2.gz HVOYZBFBIKTERR-HNNXBMFYSA-N 1 1 375.469 3.816 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001184998682 913597219 /nfs/dbraw/zinc/59/72/19/913597219.db2.gz GVOGZUGAZSHDCI-XQQFMLRXSA-N 1 1 377.876 3.970 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)cc1 ZINC000130675426 891910436 /nfs/dbraw/zinc/91/04/36/891910436.db2.gz BXHFKCFXIXEPCY-OALUTQOASA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)cc1 ZINC000130675426 891910446 /nfs/dbraw/zinc/91/04/46/891910446.db2.gz BXHFKCFXIXEPCY-OALUTQOASA-N 1 1 398.850 3.905 20 5 GHBDMO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000192036413 892031823 /nfs/dbraw/zinc/03/18/23/892031823.db2.gz JPOZLHYOSJPEIJ-UHFFFAOYSA-N 1 1 389.477 3.916 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000814175947 892331946 /nfs/dbraw/zinc/33/19/46/892331946.db2.gz KTNKAUIIYCVUEY-OFLQAFCJSA-N 1 1 387.480 3.939 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCN1CCCCCC1 ZINC001170745576 892614916 /nfs/dbraw/zinc/61/49/16/892614916.db2.gz SXSBGVKMEBHCKR-UHFFFAOYSA-N 1 1 394.491 3.651 20 5 GHBDMO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCN1CCCCCC1 ZINC001170745576 892614925 /nfs/dbraw/zinc/61/49/25/892614925.db2.gz SXSBGVKMEBHCKR-UHFFFAOYSA-N 1 1 394.491 3.651 20 5 GHBDMO Cc1c(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933342015 893011272 /nfs/dbraw/zinc/01/12/72/893011272.db2.gz SOXANINMVVTHGU-PWSUYJOCSA-N 1 1 388.390 3.868 20 5 GHBDMO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000774841050 913726024 /nfs/dbraw/zinc/72/60/24/913726024.db2.gz RINUZXWVPPCQAI-IBGZPJMESA-N 1 1 384.436 3.599 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000933458040 893048724 /nfs/dbraw/zinc/04/87/24/893048724.db2.gz WXPWDUTZTGVDJR-UIXUWTQFSA-N 1 1 399.516 3.959 20 5 GHBDMO O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533841821 893190997 /nfs/dbraw/zinc/19/09/97/893190997.db2.gz XWSZXETWTCSJPX-OAQYLSRUSA-N 1 1 379.460 3.534 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)n1 ZINC000815104296 893477742 /nfs/dbraw/zinc/47/77/42/893477742.db2.gz HEKKRIAOKIUXDZ-UHFFFAOYSA-N 1 1 399.329 3.555 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC4(CC3)OCCc3ccccc34)nc2c1 ZINC000459527936 893732219 /nfs/dbraw/zinc/73/22/19/893732219.db2.gz QRBGLSKFCMMFAF-UHFFFAOYSA-N 1 1 378.432 3.535 20 5 GHBDMO CC(C)Cn1cc([C@@H]2[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000877633051 893733987 /nfs/dbraw/zinc/73/39/87/893733987.db2.gz XOOAVAPLNHPZKA-NRFANRHFSA-N 1 1 398.507 3.844 20 5 GHBDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000877937470 893903778 /nfs/dbraw/zinc/90/37/78/893903778.db2.gz MTSOCZGJPRSPBZ-QGZVFWFLSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000877937470 893903786 /nfs/dbraw/zinc/90/37/86/893903786.db2.gz MTSOCZGJPRSPBZ-QGZVFWFLSA-N 1 1 380.404 3.991 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc2c(s1)CCC2 ZINC000459630369 893931649 /nfs/dbraw/zinc/93/16/49/893931649.db2.gz GGAYKMMCQZVHET-VHSXEESVSA-N 1 1 394.884 3.871 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555878 893994859 /nfs/dbraw/zinc/99/48/59/893994859.db2.gz JNKHWWXAHSVBEA-BBWFWOEESA-N 1 1 398.507 3.637 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778278285 894001222 /nfs/dbraw/zinc/00/12/22/894001222.db2.gz XAFSASAQTKQRSH-CVEARBPZSA-N 1 1 395.450 3.800 20 5 GHBDMO Cc1c(CC(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000816453116 894845328 /nfs/dbraw/zinc/84/53/28/894845328.db2.gz KGXDIAFDRJTNJX-KKSFZXQISA-N 1 1 382.460 3.900 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001135797682 895284562 /nfs/dbraw/zinc/28/45/62/895284562.db2.gz PRFZEBQYBVTGHJ-INIZCTEOSA-N 1 1 387.867 3.572 20 5 GHBDMO Cc1csc([C@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000880007539 895445965 /nfs/dbraw/zinc/44/59/65/895445965.db2.gz JCBOCFOAKXQWJO-OCCSQVGLSA-N 1 1 385.449 3.960 20 5 GHBDMO Nc1nccc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)n1 ZINC000566036544 896061425 /nfs/dbraw/zinc/06/14/25/896061425.db2.gz MTSLJSQEOSLYNX-HNNXBMFYSA-N 1 1 395.488 3.905 20 5 GHBDMO C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778533070 896272662 /nfs/dbraw/zinc/27/26/62/896272662.db2.gz YQDIKSPRLYCNNF-RDJZCZTQSA-N 1 1 384.505 3.792 20 5 GHBDMO C[C@H](NC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000819065252 896382877 /nfs/dbraw/zinc/38/28/77/896382877.db2.gz FKEPREAPYJUDGW-LAUBAEHRSA-N 1 1 383.492 3.881 20 5 GHBDMO C[C@@H](NC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000819066072 896384177 /nfs/dbraw/zinc/38/41/77/896384177.db2.gz SUUPAYIFEAIDPE-DYESRHJHSA-N 1 1 383.492 3.881 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000566946372 896725286 /nfs/dbraw/zinc/72/52/86/896725286.db2.gz AUVHZAHCGYCVJR-MRXNPFEDSA-N 1 1 385.464 3.574 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000566946372 896725297 /nfs/dbraw/zinc/72/52/97/896725297.db2.gz AUVHZAHCGYCVJR-MRXNPFEDSA-N 1 1 385.464 3.574 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000132196410 897711362 /nfs/dbraw/zinc/71/13/62/897711362.db2.gz JRBUGQNEECYDRU-CRAIPNDOSA-N 1 1 385.439 3.859 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000569852372 898984343 /nfs/dbraw/zinc/98/43/43/898984343.db2.gz OELZDEMBAGOQIQ-HXUWFJFHSA-N 1 1 387.867 3.951 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824696252 899771856 /nfs/dbraw/zinc/77/18/56/899771856.db2.gz JFWNLSMQVYZNLF-XGWLTEMNSA-N 1 1 383.286 3.873 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@@H]1C ZINC001136945748 899817683 /nfs/dbraw/zinc/81/76/83/899817683.db2.gz YIOHHAPMAQDGCB-RDJZCZTQSA-N 1 1 382.464 3.602 20 5 GHBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000824827954 899850485 /nfs/dbraw/zinc/85/04/85/899850485.db2.gz JYHQZTOBPTVJHX-HUUCEWRRSA-N 1 1 399.413 3.561 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)n1 ZINC000884472709 900121399 /nfs/dbraw/zinc/12/13/99/900121399.db2.gz GHPYEFXABUTRAS-HNNXBMFYSA-N 1 1 398.492 3.530 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)n1 ZINC000884472709 900121407 /nfs/dbraw/zinc/12/14/07/900121407.db2.gz GHPYEFXABUTRAS-HNNXBMFYSA-N 1 1 398.492 3.530 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000843841017 900271999 /nfs/dbraw/zinc/27/19/99/900271999.db2.gz VIPLEMMYGKBVBN-YJBOKZPZSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000843841017 900272011 /nfs/dbraw/zinc/27/20/11/900272011.db2.gz VIPLEMMYGKBVBN-YJBOKZPZSA-N 1 1 391.830 3.871 20 5 GHBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000886060024 900697719 /nfs/dbraw/zinc/69/77/19/900697719.db2.gz RVNZHVQOTOJPSL-HNNXBMFYSA-N 1 1 383.383 3.559 20 5 GHBDMO COc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000574846980 901034459 /nfs/dbraw/zinc/03/44/59/901034459.db2.gz MQQPZKQNWOTBFH-PKOBYXMFSA-N 1 1 399.466 3.696 20 5 GHBDMO C[N@H+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@@H](Cc2ccccc2)C1 ZINC000844742051 901220918 /nfs/dbraw/zinc/22/09/18/901220918.db2.gz NAWUGWPOEIRQDB-KRWDZBQOSA-N 1 1 398.488 3.688 20 5 GHBDMO CC(=O)N1CCC[C@H]1C(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001144319623 901769821 /nfs/dbraw/zinc/76/98/21/901769821.db2.gz WYHMDOPIPKWQTD-QFIPXVFZSA-N 1 1 390.487 3.712 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263779674 902517412 /nfs/dbraw/zinc/51/74/12/902517412.db2.gz YJUVQOYOHHYHQB-AUUYWEPGSA-N 1 1 394.431 3.952 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263779674 902517422 /nfs/dbraw/zinc/51/74/22/902517422.db2.gz YJUVQOYOHHYHQB-AUUYWEPGSA-N 1 1 394.431 3.952 20 5 GHBDMO O=C([C@@H]1CC12CCN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)CC2)N1CCCCC1 ZINC000601136451 903377500 /nfs/dbraw/zinc/37/75/00/903377500.db2.gz DMBKZYMTROMGPF-SFHVURJKSA-N 1 1 394.475 3.762 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000159689395 903895234 /nfs/dbraw/zinc/89/52/34/903895234.db2.gz NNDBLZGDURDKLY-INIZCTEOSA-N 1 1 387.867 3.842 20 5 GHBDMO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000579624793 904748725 /nfs/dbraw/zinc/74/87/25/904748725.db2.gz UAABPBWOMNXWIS-FQEVSTJZSA-N 1 1 392.459 3.937 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCc2ccc(F)cc21 ZINC001171671559 904911938 /nfs/dbraw/zinc/91/19/38/904911938.db2.gz XKUKPYFQPHUEPO-ZDUSSCGKSA-N 1 1 382.395 3.946 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000779160243 904921318 /nfs/dbraw/zinc/92/13/18/904921318.db2.gz GLDGRJMBQNIRPM-PRLJZHDASA-N 1 1 375.469 3.843 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC001171785819 905046234 /nfs/dbraw/zinc/04/62/34/905046234.db2.gz KOZATHUJZGXOJH-YWZLYKJASA-N 1 1 393.459 3.861 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000801577055 921148546 /nfs/dbraw/zinc/14/85/46/921148546.db2.gz IKLHDIQRSAFZAL-GOSISDBHSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000801577055 921148548 /nfs/dbraw/zinc/14/85/48/921148548.db2.gz IKLHDIQRSAFZAL-GOSISDBHSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176243253 905792479 /nfs/dbraw/zinc/79/24/79/905792479.db2.gz FYWKQAHNDWNCRB-INIZCTEOSA-N 1 1 382.468 3.602 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176724781 905920533 /nfs/dbraw/zinc/92/05/33/905920533.db2.gz JXWHPYBBADIETN-HIFRSBDPSA-N 1 1 389.402 3.656 20 5 GHBDMO O=C(c1ccccc1)N1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172922509 905992741 /nfs/dbraw/zinc/99/27/41/905992741.db2.gz YHJONGLNEIGLFG-OAQYLSRUSA-N 1 1 393.487 3.690 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cn(CC)nc21 ZINC001172909478 906016535 /nfs/dbraw/zinc/01/65/35/906016535.db2.gz HXBXEUPDSRLHAN-UXHICEINSA-N 1 1 398.507 3.695 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+](Cc1cccnc1)C1CCOCC1)CC2 ZINC001172912514 906022125 /nfs/dbraw/zinc/02/21/25/906022125.db2.gz BCFYXUTUUHNGBM-HXUWFJFHSA-N 1 1 381.476 3.918 20 5 GHBDMO CC(C)N1CC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@@H](C)C1 ZINC001173014560 906091676 /nfs/dbraw/zinc/09/16/76/906091676.db2.gz SEKJEPWOVRFYEQ-LIRRHRJNSA-N 1 1 396.482 3.550 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@H](COCC4CC4)C3)CC2)c(F)c1 ZINC001173015949 906094385 /nfs/dbraw/zinc/09/43/85/906094385.db2.gz XMDSECGYOQNFPF-HNNXBMFYSA-N 1 1 395.450 3.590 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1F ZINC001173178318 906256551 /nfs/dbraw/zinc/25/65/51/906256551.db2.gz ARPAKNZIMURHLV-HOSYDEDBSA-N 1 1 382.329 3.753 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCN(CC(C)(C)C)CC2)c1F ZINC001173178461 906256785 /nfs/dbraw/zinc/25/67/85/906256785.db2.gz HRQIGJISAFBPEK-AWEZNQCLSA-N 1 1 381.492 3.774 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2CC[NH+](CC(C)(C)C)CC2)c1F ZINC001173178461 906256801 /nfs/dbraw/zinc/25/68/01/906256801.db2.gz HRQIGJISAFBPEK-AWEZNQCLSA-N 1 1 381.492 3.774 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CCCNC(=O)OC(C)(C)C)c1F ZINC001173187886 906269271 /nfs/dbraw/zinc/26/92/71/906269271.db2.gz ZHKNFWJLRMCGPA-ZDUSSCGKSA-N 1 1 399.463 3.520 20 5 GHBDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194143 906279154 /nfs/dbraw/zinc/27/91/54/906279154.db2.gz XYCKLWLCPRGXDP-CYBMUJFWSA-N 1 1 399.463 3.520 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001173218898 906296734 /nfs/dbraw/zinc/29/67/34/906296734.db2.gz SRAWIRRBXGTXJU-CZUORRHYSA-N 1 1 399.438 3.760 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173221429 906300337 /nfs/dbraw/zinc/30/03/37/906300337.db2.gz IIXRFYMJZAVSFK-QAPCUYQASA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001173222726 906301434 /nfs/dbraw/zinc/30/14/34/906301434.db2.gz UVNVNKAEBOIOIM-SUMDDJOVSA-N 1 1 389.496 3.857 20 5 GHBDMO Cc1ccc2c(n1)N(CC1CC1)CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173225396 906307089 /nfs/dbraw/zinc/30/70/89/906307089.db2.gz JZJQKEUKFZAVOE-QGZVFWFLSA-N 1 1 380.492 3.961 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cn(CC3CC3)nc21 ZINC001173224747 906307684 /nfs/dbraw/zinc/30/76/84/906307684.db2.gz LARZNOPYYXXTCU-JXFKEZNVSA-N 1 1 398.507 3.768 20 5 GHBDMO Cc1ccc2c(n1)N(CC1CC1)CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173225394 906307882 /nfs/dbraw/zinc/30/78/82/906307882.db2.gz JZJQKEUKFZAVOE-KRWDZBQOSA-N 1 1 380.492 3.961 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001173226157 906309527 /nfs/dbraw/zinc/30/95/27/906309527.db2.gz KYQQEXCMIWNQPX-HNNXBMFYSA-N 1 1 378.432 3.677 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001173227336 906310990 /nfs/dbraw/zinc/31/09/90/906310990.db2.gz NQWXHLPEWHHREV-UCNVEGJOSA-N 1 1 388.508 3.681 20 5 GHBDMO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C3)CC2=O)cc1 ZINC001173229893 906314461 /nfs/dbraw/zinc/31/44/61/906314461.db2.gz XZWKDFQISXIRGR-MBSDFSHPSA-N 1 1 393.487 3.963 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173231272 906316582 /nfs/dbraw/zinc/31/65/82/906316582.db2.gz ANKPGIBIPVHAPH-DOTOQJQBSA-N 1 1 377.485 3.715 20 5 GHBDMO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173214251 906330331 /nfs/dbraw/zinc/33/03/31/906330331.db2.gz AAFNIEWZFMHEIH-YWZLYKJASA-N 1 1 395.459 3.786 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180600907 906799802 /nfs/dbraw/zinc/79/98/02/906799802.db2.gz QLRFOFFRUWCHJY-MOPGFXCFSA-N 1 1 396.447 3.676 20 5 GHBDMO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C3(C(N)=O)CC3)cc2[N+](=O)[O-])c1 ZINC000191489101 907032848 /nfs/dbraw/zinc/03/28/48/907032848.db2.gz OEYZZGIJGNOGOG-UHFFFAOYSA-N 1 1 383.448 3.926 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1OC ZINC001175882236 907789210 /nfs/dbraw/zinc/78/92/10/907789210.db2.gz FSIZVIWAKMXECE-CGTJXYLNSA-N 1 1 391.512 3.697 20 5 GHBDMO C[NH+]1CCN(C(=O)c2cccc(Nc3cc4cccnc4c4ncccc34)c2)CC1 ZINC001175928754 907836304 /nfs/dbraw/zinc/83/63/04/907836304.db2.gz WUNGBCMIGXKFPM-UHFFFAOYSA-N 1 1 397.482 3.914 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001176610093 908184580 /nfs/dbraw/zinc/18/45/80/908184580.db2.gz LXYGHYUKUUVJAI-ZHRRBRCNSA-N 1 1 393.443 3.862 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001176610093 908184583 /nfs/dbraw/zinc/18/45/83/908184583.db2.gz LXYGHYUKUUVJAI-ZHRRBRCNSA-N 1 1 393.443 3.862 20 5 GHBDMO Cc1c(Cl)cccc1N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001176842183 908274244 /nfs/dbraw/zinc/27/42/44/908274244.db2.gz PWGADAFOPWAAEX-UHFFFAOYSA-N 1 1 375.856 3.758 20 5 GHBDMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191507394 908634410 /nfs/dbraw/zinc/63/44/10/908634410.db2.gz JNHHLPPSBMYBLG-OAHLLOKOSA-N 1 1 398.467 3.877 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001177713631 908726492 /nfs/dbraw/zinc/72/64/92/908726492.db2.gz WSHVISNQNYMBQP-LLVKDONJSA-N 1 1 386.279 3.991 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]3/C=C\c3ccccc3)n2)c1 ZINC000779886275 909060507 /nfs/dbraw/zinc/06/05/07/909060507.db2.gz BUSUBQSDNSJXGB-JZHDPFOFSA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@H]3/C=C\c3ccccc3)n2)c1 ZINC000779886275 909060530 /nfs/dbraw/zinc/06/05/30/909060530.db2.gz BUSUBQSDNSJXGB-JZHDPFOFSA-N 1 1 375.432 3.989 20 5 GHBDMO O=C(Nc1cc2cccnc2c2ncccc12)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178993233 909348462 /nfs/dbraw/zinc/34/84/62/909348462.db2.gz DVZBRJTZBLECTM-OAQYLSRUSA-N 1 1 398.466 3.623 20 5 GHBDMO O=C(Nc1cc2cccnc2c2ncccc12)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178993233 909348468 /nfs/dbraw/zinc/34/84/68/909348468.db2.gz DVZBRJTZBLECTM-OAQYLSRUSA-N 1 1 398.466 3.623 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)cc1[N+](=O)[O-] ZINC000271148342 910793940 /nfs/dbraw/zinc/79/39/40/910793940.db2.gz PXNFGUQSSGUOGE-CYBMUJFWSA-N 1 1 390.436 3.870 20 5 GHBDMO CSc1ccc([C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)N(C)C)cc1 ZINC001181996376 911117018 /nfs/dbraw/zinc/11/70/18/911117018.db2.gz HYYSQKAVWCGIST-KRWDZBQOSA-N 1 1 386.477 3.850 20 5 GHBDMO COc1cccc(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000774091866 911374903 /nfs/dbraw/zinc/37/49/03/911374903.db2.gz FANWVMMEKGKUJQ-KRWDZBQOSA-N 1 1 384.432 3.672 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000292111647 915521378 /nfs/dbraw/zinc/52/13/78/915521378.db2.gz HAFAHMWCMXAYBZ-GJZGRUSLSA-N 1 1 385.468 3.512 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@H+](C2CC2)C1 ZINC000295477412 917323503 /nfs/dbraw/zinc/32/35/03/917323503.db2.gz YTZROQXXBIXUDF-HNNXBMFYSA-N 1 1 375.472 3.650 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001190855084 917604967 /nfs/dbraw/zinc/60/49/67/917604967.db2.gz MWINNVUTCGXISK-AEFFLSMTSA-N 1 1 397.475 3.885 20 5 GHBDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001191155955 917789001 /nfs/dbraw/zinc/78/90/01/917789001.db2.gz JIEWXYVWTFGQKI-WMZOPIPTSA-N 1 1 379.460 3.670 20 5 GHBDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001191212901 917827218 /nfs/dbraw/zinc/82/72/18/917827218.db2.gz DSTNMJUVZPWFJC-HSALFYBXSA-N 1 1 384.476 3.911 20 5 GHBDMO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000116348432 919503767 /nfs/dbraw/zinc/50/37/67/919503767.db2.gz CVIGMYWRKUBIQZ-UWJYYQICSA-N 1 1 381.476 3.821 20 5 GHBDMO COc1ccc(C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C2CC2)cc1 ZINC000117334106 919537133 /nfs/dbraw/zinc/53/71/33/919537133.db2.gz XJEGBKDNBYRNPS-UHFFFAOYSA-N 1 1 397.431 3.566 20 5 GHBDMO CCS[C@H]1CCCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000117341304 919538631 /nfs/dbraw/zinc/53/86/31/919538631.db2.gz QMLUHSZUBKPNNK-HNNXBMFYSA-N 1 1 379.482 3.500 20 5 GHBDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117342107 919540068 /nfs/dbraw/zinc/54/00/68/919540068.db2.gz WJUFHCNJGQZWJB-RDJZCZTQSA-N 1 1 381.432 3.771 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000119997381 919674715 /nfs/dbraw/zinc/67/47/15/919674715.db2.gz RJJLHEOVOOIXRU-KSSFIOAISA-N 1 1 385.489 3.567 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000900820670 920634840 /nfs/dbraw/zinc/63/48/40/920634840.db2.gz ACSGVLJWHZHPKQ-BXKDBHETSA-N 1 1 392.258 3.843 20 5 GHBDMO CCOc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc(Br)c1O ZINC000298584586 920695345 /nfs/dbraw/zinc/69/53/45/920695345.db2.gz WFJLBUXTRSRZRA-UHFFFAOYSA-N 1 1 381.226 3.751 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000803639261 923113181 /nfs/dbraw/zinc/11/31/81/923113181.db2.gz BJVWQWJXPOBMDE-UHFFFAOYSA-N 1 1 397.834 3.503 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)o2)cc1 ZINC000371549517 924658284 /nfs/dbraw/zinc/65/82/84/924658284.db2.gz AFUZNXQKWJCVGM-QFBILLFUSA-N 1 1 380.404 3.512 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c1F ZINC000827141174 924890365 /nfs/dbraw/zinc/89/03/65/924890365.db2.gz PUCODOCDBMMEBU-UHFFFAOYSA-N 1 1 391.418 3.952 20 5 GHBDMO COc1cccc(C2=CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000410031072 925263162 /nfs/dbraw/zinc/26/31/62/925263162.db2.gz SWHRRINILXVRGG-UHFFFAOYSA-N 1 1 381.432 3.721 20 5 GHBDMO CCOc1ccc(-c2nc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)co2)cc1 ZINC000373298734 926002115 /nfs/dbraw/zinc/00/21/15/926002115.db2.gz JXBOWFBBKGLBRY-UHFFFAOYSA-N 1 1 397.435 3.682 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000411170974 926161554 /nfs/dbraw/zinc/16/15/54/926161554.db2.gz HOXGLSRRQWGMBI-UHFFFAOYSA-N 1 1 387.436 3.970 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000726972778 926964713 /nfs/dbraw/zinc/96/47/13/926964713.db2.gz FBICUWUVHGSGJK-IFMALSPDSA-N 1 1 397.475 3.820 20 5 GHBDMO Cc1ccc(CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)cc1 ZINC000750077208 927422828 /nfs/dbraw/zinc/42/28/28/927422828.db2.gz MGPGHMSNNKSVBN-FCHUYYIVSA-N 1 1 384.476 3.660 20 5 GHBDMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000374788165 927523431 /nfs/dbraw/zinc/52/34/31/927523431.db2.gz MKTLDEHGBQSMSH-INIZCTEOSA-N 1 1 385.468 3.779 20 5 GHBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000751088746 928022953 /nfs/dbraw/zinc/02/29/53/928022953.db2.gz FBENFIYHOJCCOJ-FQEVSTJZSA-N 1 1 399.466 3.937 20 5 GHBDMO Cc1[nH+]ccn1CCCCOC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000751640468 928293924 /nfs/dbraw/zinc/29/39/24/928293924.db2.gz LDKFRPORXUNXJX-UHFFFAOYSA-N 1 1 383.857 3.869 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000467012328 928587778 /nfs/dbraw/zinc/58/77/78/928587778.db2.gz CIEZQMVRHXKRPM-UHFFFAOYSA-N 1 1 378.226 3.671 20 5 GHBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000752082971 928599354 /nfs/dbraw/zinc/59/93/54/928599354.db2.gz PJDDPHZXAMOLNU-JSGCOSHPSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000752082971 928599360 /nfs/dbraw/zinc/59/93/60/928599360.db2.gz PJDDPHZXAMOLNU-JSGCOSHPSA-N 1 1 383.876 3.983 20 5 GHBDMO COc1ccc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000467172512 928785735 /nfs/dbraw/zinc/78/57/35/928785735.db2.gz YEBUASBCGSRSTL-OAHLLOKOSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1cc(C[N@@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000467375369 929012816 /nfs/dbraw/zinc/01/28/16/929012816.db2.gz CZMDLCMBNNZKSI-ZDUSSCGKSA-N 1 1 392.374 3.545 20 5 GHBDMO C[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544399680 929133043 /nfs/dbraw/zinc/13/30/43/929133043.db2.gz PHJQQWDXRIOKSA-QFBILLFUSA-N 1 1 399.466 3.960 20 5 GHBDMO C[C@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000544418837 929154629 /nfs/dbraw/zinc/15/46/29/929154629.db2.gz VJGTVSVWWVOLRW-HNNXBMFYSA-N 1 1 387.455 3.864 20 5 GHBDMO CC[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1Cc1ccccc1 ZINC000544760074 929546727 /nfs/dbraw/zinc/54/67/27/929546727.db2.gz LPEIPVGQKOBUOA-FQEVSTJZSA-N 1 1 397.475 3.558 20 5 GHBDMO CC[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1Cc1ccccc1 ZINC000544767784 929559995 /nfs/dbraw/zinc/55/99/95/929559995.db2.gz IZRSWCLROQSEJW-KRWDZBQOSA-N 1 1 392.459 3.813 20 5 GHBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000546256188 929997434 /nfs/dbraw/zinc/99/74/34/929997434.db2.gz NQATYJMUIPQSSQ-UHFFFAOYSA-N 1 1 392.459 3.794 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000758464408 930054418 /nfs/dbraw/zinc/05/44/18/930054418.db2.gz PIFLWRMSBYUCCS-KRWDZBQOSA-N 1 1 385.439 3.684 20 5 GHBDMO C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000470120901 930388852 /nfs/dbraw/zinc/38/88/52/930388852.db2.gz NJNXYOUMWXFANL-GOEBONIOSA-N 1 1 386.427 3.766 20 5 GHBDMO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470658759 930794554 /nfs/dbraw/zinc/79/45/54/930794554.db2.gz KSXVLFMJIOENSN-KRWDZBQOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000782487866 931240537 /nfs/dbraw/zinc/24/05/37/931240537.db2.gz NKAANUACTAEAJT-LRDDRELGSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000782487866 931240542 /nfs/dbraw/zinc/24/05/42/931240542.db2.gz NKAANUACTAEAJT-LRDDRELGSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1ccc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1[N+](=O)[O-] ZINC000557459670 931445194 /nfs/dbraw/zinc/44/51/94/931445194.db2.gz NTBCIPCDHGGPSV-SFHVURJKSA-N 1 1 379.416 3.757 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000557559243 931542085 /nfs/dbraw/zinc/54/20/85/931542085.db2.gz SBMPTKRZLIXGBM-OAHLLOKOSA-N 1 1 383.477 3.576 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@H](Oc4cccc(F)c4)C3)c2)cc1 ZINC000784026967 931759851 /nfs/dbraw/zinc/75/98/51/931759851.db2.gz FQVYWYLHPROYTG-FQEVSTJZSA-N 1 1 382.395 3.708 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@H](Oc4cccc(F)c4)C3)c2)cc1 ZINC000784026967 931759857 /nfs/dbraw/zinc/75/98/57/931759857.db2.gz FQVYWYLHPROYTG-FQEVSTJZSA-N 1 1 382.395 3.708 20 5 GHBDMO C/C(=C/C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784055597 931768346 /nfs/dbraw/zinc/76/83/46/931768346.db2.gz KKASNZKTNWJSRY-BKHFDQEPSA-N 1 1 393.487 3.979 20 5 GHBDMO C/C(=C/C(=O)O[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784868019 932015804 /nfs/dbraw/zinc/01/58/04/932015804.db2.gz VVVNUXYZFVZPNY-RNUYOQPASA-N 1 1 396.447 3.617 20 5 GHBDMO COc1c(C(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000796710595 932039009 /nfs/dbraw/zinc/03/90/09/932039009.db2.gz PEGIEMITZJPZNJ-QGZVFWFLSA-N 1 1 384.432 3.672 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000797082705 932174720 /nfs/dbraw/zinc/17/47/20/932174720.db2.gz WZUUHSQMQDSJTO-FIKMYACPSA-N 1 1 397.450 3.980 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000797336723 932253145 /nfs/dbraw/zinc/25/31/45/932253145.db2.gz FCHSLTWVTHGQFZ-FQEVSTJZSA-N 1 1 398.459 3.818 20 5 GHBDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000797517149 932316440 /nfs/dbraw/zinc/31/64/40/932316440.db2.gz CICVSORNFZXYGP-QGZVFWFLSA-N 1 1 377.485 3.512 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000797520211 932318311 /nfs/dbraw/zinc/31/83/11/932318311.db2.gz BSPPXPANALYRET-AWEZNQCLSA-N 1 1 385.420 3.753 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000797520211 932318312 /nfs/dbraw/zinc/31/83/12/932318312.db2.gz BSPPXPANALYRET-AWEZNQCLSA-N 1 1 385.420 3.753 20 5 GHBDMO C[C@]1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798523894 932687162 /nfs/dbraw/zinc/68/71/62/932687162.db2.gz PXRINODQCIPABG-OAQYLSRUSA-N 1 1 399.516 3.715 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C1CC1 ZINC000561307953 934040942 /nfs/dbraw/zinc/04/09/42/934040942.db2.gz DHGXJJWEFIVIGY-INIZCTEOSA-N 1 1 383.477 3.922 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000777953864 934369095 /nfs/dbraw/zinc/36/90/95/934369095.db2.gz AWMHPXFPXFZBHD-YOEHRIQHSA-N 1 1 389.402 3.638 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000778069652 934831402 /nfs/dbraw/zinc/83/14/02/934831402.db2.gz BRSITPKHVVPOJG-NRFANRHFSA-N 1 1 385.439 3.827 20 5 GHBDMO Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC2CC2)cn1 ZINC000829854434 935872888 /nfs/dbraw/zinc/87/28/88/935872888.db2.gz HIODIVMCOVPVPT-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC2CC2)cn1 ZINC000829854434 935872890 /nfs/dbraw/zinc/87/28/90/935872890.db2.gz HIODIVMCOVPVPT-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO COc1cc(OC)cc(N2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000468113509 1015281878 /nfs/dbraw/zinc/28/18/78/1015281878.db2.gz NZHJDRMDSKWUGW-INIZCTEOSA-N 1 1 385.464 3.885 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000468198214 1015395869 /nfs/dbraw/zinc/39/58/69/1015395869.db2.gz DMQBWMPUZZQYNX-UHFFFAOYSA-N 1 1 392.253 3.600 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000468475214 1015736237 /nfs/dbraw/zinc/73/62/37/1015736237.db2.gz NNDPGRCMCAPZMV-QGZVFWFLSA-N 1 1 379.526 3.946 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001226808674 1032138219 /nfs/dbraw/zinc/13/82/19/1032138219.db2.gz WYPVSCIIPUAUOJ-VBKZILBWSA-N 1 1 396.422 3.967 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000470954096 1016928366 /nfs/dbraw/zinc/92/83/66/1016928366.db2.gz WBYYDJORCSABGU-WCBMZHEXSA-N 1 1 384.301 3.978 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000470954096 1016928373 /nfs/dbraw/zinc/92/83/73/1016928373.db2.gz WBYYDJORCSABGU-WCBMZHEXSA-N 1 1 384.301 3.978 20 5 GHBDMO CC(C)Oc1ccc2c(c1)oc1ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cc1c2=O ZINC001154575076 1032194025 /nfs/dbraw/zinc/19/40/25/1032194025.db2.gz YRODFGWPUXSFEM-INIZCTEOSA-N 1 1 394.471 3.557 20 5 GHBDMO CC(C)Oc1ccc2c(c1)oc1ccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)cc1c2=O ZINC001154575076 1032194035 /nfs/dbraw/zinc/19/40/35/1032194035.db2.gz YRODFGWPUXSFEM-INIZCTEOSA-N 1 1 394.471 3.557 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2cc(Cl)c([N+](=O)[O-])cn2)O1 ZINC001226916117 1032195606 /nfs/dbraw/zinc/19/56/06/1032195606.db2.gz ZCYFYVULFJQBFM-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2cc(Cl)c([N+](=O)[O-])cn2)O1 ZINC001226916117 1032195627 /nfs/dbraw/zinc/19/56/27/1032195627.db2.gz ZCYFYVULFJQBFM-OAHLLOKOSA-N 1 1 391.855 3.702 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001227298187 1032361021 /nfs/dbraw/zinc/36/10/21/1032361021.db2.gz MQRURYUTKXQCPM-INIZCTEOSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001227298187 1032361027 /nfs/dbraw/zinc/36/10/27/1032361027.db2.gz MQRURYUTKXQCPM-INIZCTEOSA-N 1 1 388.395 3.564 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001227465544 1032431177 /nfs/dbraw/zinc/43/11/77/1032431177.db2.gz GCPBZQLJOMMCAS-HNNXBMFYSA-N 1 1 375.356 3.686 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001227465544 1032431179 /nfs/dbraw/zinc/43/11/79/1032431179.db2.gz GCPBZQLJOMMCAS-HNNXBMFYSA-N 1 1 375.356 3.686 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)sc2c1 ZINC001228211104 1032843055 /nfs/dbraw/zinc/84/30/55/1032843055.db2.gz MODUBSNBSIDQIT-KRWDZBQOSA-N 1 1 399.472 3.874 20 5 GHBDMO COc1c(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000574682209 1019901215 /nfs/dbraw/zinc/90/12/15/1019901215.db2.gz ITVDXCMTMNRGBM-GOSISDBHSA-N 1 1 397.475 3.636 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC001156341964 1032994711 /nfs/dbraw/zinc/99/47/11/1032994711.db2.gz UZQTXHLEXHQIGE-JXFKEZNVSA-N 1 1 391.475 3.885 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000754093861 1022476252 /nfs/dbraw/zinc/47/62/52/1022476252.db2.gz FZSRZEUOWMWAIH-VZVUQDNOSA-N 1 1 379.460 3.561 20 5 GHBDMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754213651 1022538776 /nfs/dbraw/zinc/53/87/76/1022538776.db2.gz ZPFKIPKKJMGNOJ-UHFFFAOYSA-N 1 1 383.839 3.696 20 5 GHBDMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754213651 1022538780 /nfs/dbraw/zinc/53/87/80/1022538780.db2.gz ZPFKIPKKJMGNOJ-UHFFFAOYSA-N 1 1 383.839 3.696 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC001228803017 1033105590 /nfs/dbraw/zinc/10/55/90/1033105590.db2.gz RLTUMXYAEAHHIA-BEFAXECRSA-N 1 1 394.427 3.991 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)CCc3cccc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000756283652 1023577113 /nfs/dbraw/zinc/57/71/13/1023577113.db2.gz FHQODQXAHHYTOH-XMSQKQJNSA-N 1 1 398.459 3.772 20 5 GHBDMO CCCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ncsc2C1 ZINC000830816692 1024163253 /nfs/dbraw/zinc/16/32/53/1024163253.db2.gz IXPCLXSQHXVDRE-WMZOPIPTSA-N 1 1 375.494 3.744 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001229059609 1033254946 /nfs/dbraw/zinc/25/49/46/1033254946.db2.gz SBXBXOIQZQIDSS-OAHLLOKOSA-N 1 1 390.823 3.688 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1NCC[N@H+]1CCc2ccccc2C1 ZINC001162098978 1025604289 /nfs/dbraw/zinc/60/42/89/1025604289.db2.gz KCWAUWUHEXJGDK-UHFFFAOYSA-N 1 1 376.254 3.828 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839153373 1025654027 /nfs/dbraw/zinc/65/40/27/1025654027.db2.gz FNFMSWNFQJYTKQ-LJQANCHMSA-N 1 1 380.366 3.958 20 5 GHBDMO C[N@@H+]1CCc2c(NCCc3ccc(C(F)(F)F)nc3)ccc([N+](=O)[O-])c2C1 ZINC001162615708 1025830573 /nfs/dbraw/zinc/83/05/73/1025830573.db2.gz DXWVDKHOLUNSON-UHFFFAOYSA-N 1 1 380.370 3.651 20 5 GHBDMO C[N@H+]1CCc2c(NCCc3ccc(C(F)(F)F)nc3)ccc([N+](=O)[O-])c2C1 ZINC001162615708 1025830580 /nfs/dbraw/zinc/83/05/80/1025830580.db2.gz DXWVDKHOLUNSON-UHFFFAOYSA-N 1 1 380.370 3.651 20 5 GHBDMO COCC[N@@H+](C)[C@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001163385195 1026171190 /nfs/dbraw/zinc/17/11/90/1026171190.db2.gz INWWIRGDGPTZQD-MRXNPFEDSA-N 1 1 382.823 3.514 20 5 GHBDMO Cc1cccc(N2CCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC2)[nH+]1 ZINC001163668056 1026273342 /nfs/dbraw/zinc/27/33/42/1026273342.db2.gz LVTDFZZDYOTLSK-UHFFFAOYSA-N 1 1 383.839 3.826 20 5 GHBDMO C[C@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000839863992 1026318880 /nfs/dbraw/zinc/31/88/80/1026318880.db2.gz MPHZKDIWFPHAOW-JNIYBQFBSA-N 1 1 391.365 3.715 20 5 GHBDMO C[C@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000839863992 1026318893 /nfs/dbraw/zinc/31/88/93/1026318893.db2.gz MPHZKDIWFPHAOW-JNIYBQFBSA-N 1 1 391.365 3.715 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(N2CCC([N@H+]3CCc4ccccc4C3)CC2)nc1Cl ZINC001165150825 1026635410 /nfs/dbraw/zinc/63/54/10/1026635410.db2.gz PYUYPDPMKRUCQT-UHFFFAOYSA-N 1 1 386.883 3.979 20 5 GHBDMO C[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165202016 1026663019 /nfs/dbraw/zinc/66/30/19/1026663019.db2.gz QNVGAGKOFSVOQU-CVEARBPZSA-N 1 1 377.448 3.637 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001166494301 1027013696 /nfs/dbraw/zinc/01/36/96/1027013696.db2.gz TXKCLBZAQCGMHY-QMMMGPOBSA-N 1 1 378.231 3.643 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)c2c1 ZINC000840114381 1027223079 /nfs/dbraw/zinc/22/30/79/1027223079.db2.gz HOSQEFOGJPHLKR-IIAWOOMASA-N 1 1 377.466 3.845 20 5 GHBDMO COc1ccc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232298 1069454609 /nfs/dbraw/zinc/45/46/09/1069454609.db2.gz OGMCGTIYQIBDJD-BEFAXECRSA-N 1 1 375.494 3.838 20 5 GHBDMO COc1ccc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232298 1069454614 /nfs/dbraw/zinc/45/46/14/1069454614.db2.gz OGMCGTIYQIBDJD-BEFAXECRSA-N 1 1 375.494 3.838 20 5 GHBDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001141891526 1027602433 /nfs/dbraw/zinc/60/24/33/1027602433.db2.gz WQRIEJWLJSQCNZ-QRWLVFNGSA-N 1 1 385.439 3.966 20 5 GHBDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001141891526 1027602444 /nfs/dbraw/zinc/60/24/44/1027602444.db2.gz WQRIEJWLJSQCNZ-QRWLVFNGSA-N 1 1 385.439 3.966 20 5 GHBDMO Cc1nn(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c2ncc([N+](=O)[O-])cc12 ZINC000841684371 1028832888 /nfs/dbraw/zinc/83/28/88/1028832888.db2.gz CDHBMAYAWWLGNR-HNNXBMFYSA-N 1 1 387.390 3.591 20 5 GHBDMO Cc1nn(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c2ncc([N+](=O)[O-])cc12 ZINC000841684371 1028832891 /nfs/dbraw/zinc/83/28/91/1028832891.db2.gz CDHBMAYAWWLGNR-HNNXBMFYSA-N 1 1 387.390 3.591 20 5 GHBDMO COc1ccc(-c2noc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])n2)cc1 ZINC001216552515 1029683498 /nfs/dbraw/zinc/68/34/98/1029683498.db2.gz CHXNXUCUUWDLRR-UHFFFAOYSA-N 1 1 377.360 3.815 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126270 1029816962 /nfs/dbraw/zinc/81/69/62/1029816962.db2.gz HLQIPQPQHMQLTE-KBPBESRZSA-N 1 1 382.302 3.569 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001150144140 1030426368 /nfs/dbraw/zinc/42/63/68/1030426368.db2.gz YKRPSQRMQXSZFX-BEFAXECRSA-N 1 1 393.443 3.981 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001223448001 1030579089 /nfs/dbraw/zinc/57/90/89/1030579089.db2.gz DSLSEDRXDVURIJ-LJQANCHMSA-N 1 1 384.432 3.563 20 5 GHBDMO COC(=O)c1cccc(CO[C@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001223663014 1030692461 /nfs/dbraw/zinc/69/24/61/1030692461.db2.gz QKTYJKJHGCVCSQ-RDJZCZTQSA-N 1 1 399.447 3.519 20 5 GHBDMO COc1ccc([C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC[NH2+]2)cc1 ZINC001150940923 1030716120 /nfs/dbraw/zinc/71/61/20/1030716120.db2.gz ARUSXCCJTKHHTC-KRWDZBQOSA-N 1 1 397.456 3.605 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@H]2CC[NH2+]C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218182035 1030809813 /nfs/dbraw/zinc/80/98/13/1030809813.db2.gz SPCHZCXKXDEKLJ-ZDUSSCGKSA-N 1 1 381.428 3.607 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCO[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC001224777996 1031115228 /nfs/dbraw/zinc/11/52/28/1031115228.db2.gz HUURHLHQIHEVFC-IBGZPJMESA-N 1 1 376.840 3.918 20 5 GHBDMO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1ccc2[nH]nnc2c1 ZINC001218876381 1031129639 /nfs/dbraw/zinc/12/96/39/1031129639.db2.gz HQCHWQGPPDTZJT-FQEVSTJZSA-N 1 1 381.439 3.773 20 5 GHBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001153339983 1031541910 /nfs/dbraw/zinc/54/19/10/1031541910.db2.gz CNSRIUUEAWOVTC-UHFFFAOYSA-N 1 1 380.448 3.904 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229400238 1033457682 /nfs/dbraw/zinc/45/76/82/1033457682.db2.gz SPZFTTSBXPDMGH-YWZLYKJASA-N 1 1 378.432 3.827 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229400971 1033458129 /nfs/dbraw/zinc/45/81/29/1033458129.db2.gz BQWGFZZXACXYBG-GDBMZVCRSA-N 1 1 379.420 3.537 20 5 GHBDMO N[C@@H]1C[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)CC[C@H]1O ZINC001206092591 1033715102 /nfs/dbraw/zinc/71/51/02/1033715102.db2.gz NZDPDJVCSVFZTM-XMSQKQJNSA-N 1 1 384.483 3.850 20 5 GHBDMO N[C@@H]1C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)CC[C@H]1O ZINC001206092591 1033715115 /nfs/dbraw/zinc/71/51/15/1033715115.db2.gz NZDPDJVCSVFZTM-XMSQKQJNSA-N 1 1 384.483 3.850 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001229960025 1033818460 /nfs/dbraw/zinc/81/84/60/1033818460.db2.gz IDNNDRFDYNZMJB-YWZLYKJASA-N 1 1 384.432 3.589 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001230314459 1033990610 /nfs/dbraw/zinc/99/06/10/1033990610.db2.gz FNNGHSFSNGDUJV-AWEZNQCLSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001230314459 1033990613 /nfs/dbraw/zinc/99/06/13/1033990613.db2.gz FNNGHSFSNGDUJV-AWEZNQCLSA-N 1 1 377.784 3.810 20 5 GHBDMO CC(C)[N@H+]1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C[C@@H]1C ZINC001158501355 1034113871 /nfs/dbraw/zinc/11/38/71/1034113871.db2.gz SKGYYXJRXUFFCS-ZDUSSCGKSA-N 1 1 375.860 3.624 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231055650 1034368336 /nfs/dbraw/zinc/36/83/36/1034368336.db2.gz LZYYKQBVWYJSTR-BEFAXECRSA-N 1 1 378.432 3.827 20 5 GHBDMO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)C1 ZINC001161049913 1035125849 /nfs/dbraw/zinc/12/58/49/1035125849.db2.gz JINSRZGHARTRPA-YKSBVNFPSA-N 1 1 389.543 3.804 20 5 GHBDMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)C1 ZINC001161049913 1035125854 /nfs/dbraw/zinc/12/58/54/1035125854.db2.gz JINSRZGHARTRPA-YKSBVNFPSA-N 1 1 389.543 3.804 20 5 GHBDMO C[N@H+]1CC[C@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001161092404 1035139487 /nfs/dbraw/zinc/13/94/87/1035139487.db2.gz LMKVLGXRAHIRNZ-HKUYNNGSSA-N 1 1 387.867 3.600 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@]1(O)C(F)(F)F ZINC001232217879 1035167240 /nfs/dbraw/zinc/16/72/40/1035167240.db2.gz BAPILASLRGNKKR-DJJJIMSYSA-N 1 1 375.394 3.918 20 5 GHBDMO COc1cc(C)nc(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC001161180284 1035168066 /nfs/dbraw/zinc/16/80/66/1035168066.db2.gz BNRTYYGMHMJJOQ-HNNXBMFYSA-N 1 1 376.844 3.647 20 5 GHBDMO COc1cc(C)nc(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC001161180284 1035168074 /nfs/dbraw/zinc/16/80/74/1035168074.db2.gz BNRTYYGMHMJJOQ-HNNXBMFYSA-N 1 1 376.844 3.647 20 5 GHBDMO c1cnc2c(c1)ccc1ccc(CN3CCC[N@H+](Cc4ccncc4)CC3)nc12 ZINC001232219719 1035168423 /nfs/dbraw/zinc/16/84/23/1035168423.db2.gz YYWINIGJRAVKFG-UHFFFAOYSA-N 1 1 383.499 3.886 20 5 GHBDMO c1cnc2c(c1)ccc1ccc(CN3CCC[N@@H+](Cc4ccncc4)CC3)nc12 ZINC001232219719 1035168428 /nfs/dbraw/zinc/16/84/28/1035168428.db2.gz YYWINIGJRAVKFG-UHFFFAOYSA-N 1 1 383.499 3.886 20 5 GHBDMO CCOC[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2cn(C)nc21 ZINC001232220456 1035169451 /nfs/dbraw/zinc/16/94/51/1035169451.db2.gz PAMNWCKIAIZRRZ-LJQANCHMSA-N 1 1 387.487 3.652 20 5 GHBDMO CCOC[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2cn(C)nc21 ZINC001232220456 1035169455 /nfs/dbraw/zinc/16/94/55/1035169455.db2.gz PAMNWCKIAIZRRZ-LJQANCHMSA-N 1 1 387.487 3.652 20 5 GHBDMO COc1c(O)ccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001461988204 1069931330 /nfs/dbraw/zinc/93/13/30/1069931330.db2.gz RWAFMPZUHFPWAX-VQIMIIECSA-N 1 1 399.491 3.794 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2N2CCCCC2)no1 ZINC001248209752 1035641099 /nfs/dbraw/zinc/64/10/99/1035641099.db2.gz VJDNXZFIJPNMJJ-GOSISDBHSA-N 1 1 393.447 3.878 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC001248210969 1035642838 /nfs/dbraw/zinc/64/28/38/1035642838.db2.gz YBFIVIRJGFLEFP-AWEZNQCLSA-N 1 1 394.309 3.786 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001462171448 1070051093 /nfs/dbraw/zinc/05/10/93/1070051093.db2.gz MMNIEUMLFWFHDJ-IYBDPMFKSA-N 1 1 375.469 3.510 20 5 GHBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2cc(Cl)c(F)cc2F)no1 ZINC001247665663 1038301728 /nfs/dbraw/zinc/30/17/28/1038301728.db2.gz HYKHVZXKOLSHAB-ZDUSSCGKSA-N 1 1 380.738 3.819 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001233578363 1039454584 /nfs/dbraw/zinc/45/45/84/1039454584.db2.gz QXRSULJWHXOMLO-CQSZACIVSA-N 1 1 375.356 3.686 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001233578363 1039454592 /nfs/dbraw/zinc/45/45/92/1039454592.db2.gz QXRSULJWHXOMLO-CQSZACIVSA-N 1 1 375.356 3.686 20 5 GHBDMO CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)C1 ZINC001233830559 1039650737 /nfs/dbraw/zinc/65/07/37/1039650737.db2.gz SYVPFFKESZNKCL-KRWDZBQOSA-N 1 1 384.432 3.849 20 5 GHBDMO CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)C1 ZINC001233830559 1039650741 /nfs/dbraw/zinc/65/07/41/1039650741.db2.gz SYVPFFKESZNKCL-KRWDZBQOSA-N 1 1 384.432 3.849 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001233986169 1039744824 /nfs/dbraw/zinc/74/48/24/1039744824.db2.gz ISLMROOFFGRFAU-FXAWDEMLSA-N 1 1 384.476 3.804 20 5 GHBDMO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001234357415 1039982160 /nfs/dbraw/zinc/98/21/60/1039982160.db2.gz CSVKDLIIIWRLPT-SQGPQFPESA-N 1 1 396.491 3.723 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)NC1CCCC1 ZINC001254184733 1040033066 /nfs/dbraw/zinc/03/30/66/1040033066.db2.gz QIJMYSQVZOWFAJ-UHFFFAOYSA-N 1 1 377.828 3.657 20 5 GHBDMO Cc1ccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC001254240393 1040091845 /nfs/dbraw/zinc/09/18/45/1040091845.db2.gz HNUXRLKIBLJWOE-UHFFFAOYSA-N 1 1 396.491 3.709 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](Oc4ccc(F)cc4)C3)CC2)cc1 ZINC001254478431 1040264088 /nfs/dbraw/zinc/26/40/88/1040264088.db2.gz CFUBFSTYOTZTOK-NRFANRHFSA-N 1 1 385.439 3.856 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254563976 1040338121 /nfs/dbraw/zinc/33/81/21/1040338121.db2.gz HNSKTYLUTDPXBW-INMHGKMJSA-N 1 1 377.485 3.761 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001254572055 1040347638 /nfs/dbraw/zinc/34/76/38/1040347638.db2.gz HHRCLWZIAJXCJU-YUMYIRISSA-N 1 1 377.488 3.847 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001254571285 1040348349 /nfs/dbraw/zinc/34/83/49/1040348349.db2.gz RQKWZQMKKIIZHQ-QFBILLFUSA-N 1 1 379.460 3.646 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001254571622 1040348885 /nfs/dbraw/zinc/34/88/85/1040348885.db2.gz ZAWYENPLLSFUIM-WBVHZDCISA-N 1 1 377.485 3.857 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001254572054 1040348965 /nfs/dbraw/zinc/34/89/65/1040348965.db2.gz HHRCLWZIAJXCJU-KJJMTIBFSA-N 1 1 377.488 3.847 20 5 GHBDMO C[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001254598645 1040371692 /nfs/dbraw/zinc/37/16/92/1040371692.db2.gz LBZWAEDRLMKKMT-LJHODMEESA-N 1 1 389.496 3.545 20 5 GHBDMO COC(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cc1F ZINC001462551950 1070355682 /nfs/dbraw/zinc/35/56/82/1070355682.db2.gz ZKYXTLJQHYZQTQ-UHFFFAOYSA-N 1 1 397.200 3.573 20 5 GHBDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C1CC1 ZINC001291760908 1043448285 /nfs/dbraw/zinc/44/82/85/1043448285.db2.gz OMWVOVFEVDANEL-OAHLLOKOSA-N 1 1 386.500 3.572 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001293541842 1044233366 /nfs/dbraw/zinc/23/33/66/1044233366.db2.gz QGUWYNDABPCRPB-UONOGXRCSA-N 1 1 394.903 3.557 20 5 GHBDMO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@@H+](C)C(C)C)C1CC1 ZINC001295161786 1044935036 /nfs/dbraw/zinc/93/50/36/1044935036.db2.gz RVAFOOWRQMABRN-UHFFFAOYSA-N 1 1 386.500 3.572 20 5 GHBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001301033204 1046297598 /nfs/dbraw/zinc/29/75/98/1046297598.db2.gz IRXMLFKJWQBXMQ-ZFWWWQNUSA-N 1 1 395.887 3.539 20 5 GHBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001266227187 1047720139 /nfs/dbraw/zinc/72/01/39/1047720139.db2.gz XSNWYQGHGBKUQR-XKPGHWPRSA-N 1 1 393.487 3.820 20 5 GHBDMO CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001306770470 1048876572 /nfs/dbraw/zinc/87/65/72/1048876572.db2.gz PNWDMWBDJVEWKE-LJQANCHMSA-N 1 1 398.511 3.716 20 5 GHBDMO CCCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCC[C@@H]1C ZINC001306790656 1048895129 /nfs/dbraw/zinc/89/51/29/1048895129.db2.gz HOCKTFVDWNLYCL-INIZCTEOSA-N 1 1 386.500 3.574 20 5 GHBDMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(CC)C2CC2)C1 ZINC001307035512 1049029489 /nfs/dbraw/zinc/02/94/89/1049029489.db2.gz VOXQLAMFVLQQNA-INIZCTEOSA-N 1 1 398.511 3.574 20 5 GHBDMO C[C@@H]1C[N@H+](CCCCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC001307068272 1049051793 /nfs/dbraw/zinc/05/17/93/1049051793.db2.gz FFQGTHFPORJFPS-BETUJISGSA-N 1 1 375.391 3.915 20 5 GHBDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307462726 1049299246 /nfs/dbraw/zinc/29/92/46/1049299246.db2.gz UBBQHPKVMLCZBA-KRWDZBQOSA-N 1 1 393.484 3.695 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001307464402 1049301231 /nfs/dbraw/zinc/30/12/31/1049301231.db2.gz GZYAAKMDZUIKLJ-QFIPXVFZSA-N 1 1 379.460 3.538 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001307464402 1049301247 /nfs/dbraw/zinc/30/12/47/1049301247.db2.gz GZYAAKMDZUIKLJ-QFIPXVFZSA-N 1 1 379.460 3.538 20 5 GHBDMO CC(C)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001307870341 1049652566 /nfs/dbraw/zinc/65/25/66/1049652566.db2.gz MUOUZGRXBOBBPU-FGZHOGPDSA-N 1 1 383.492 3.613 20 5 GHBDMO CC(C)N(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307870341 1049652575 /nfs/dbraw/zinc/65/25/75/1049652575.db2.gz MUOUZGRXBOBBPU-FGZHOGPDSA-N 1 1 383.492 3.613 20 5 GHBDMO CC(C)N(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307870341 1049652579 /nfs/dbraw/zinc/65/25/79/1049652579.db2.gz MUOUZGRXBOBBPU-FGZHOGPDSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001310261507 1051255425 /nfs/dbraw/zinc/25/54/25/1051255425.db2.gz JHDKEDINGAUHAI-GUYCJALGSA-N 1 1 388.855 3.890 20 5 GHBDMO COc1ccccc1C1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC001320054411 1055625113 /nfs/dbraw/zinc/62/51/13/1055625113.db2.gz SKEMVTTZPFZWLC-UHFFFAOYSA-N 1 1 389.839 3.864 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC001320177660 1055692626 /nfs/dbraw/zinc/69/26/26/1055692626.db2.gz VVVRBXHRFHHJNC-RTBURBONSA-N 1 1 385.439 3.573 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC001320177660 1055692627 /nfs/dbraw/zinc/69/26/27/1055692627.db2.gz VVVRBXHRFHHJNC-RTBURBONSA-N 1 1 385.439 3.573 20 5 GHBDMO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CCO2 ZINC001321203132 1056155998 /nfs/dbraw/zinc/15/59/98/1056155998.db2.gz XFCQOBZBKHDMKC-ORAYPTAESA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CCO2 ZINC001321203132 1056156002 /nfs/dbraw/zinc/15/60/02/1056156002.db2.gz XFCQOBZBKHDMKC-ORAYPTAESA-N 1 1 392.839 3.888 20 5 GHBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+]1CCC(c2ccsc2)CC1 ZINC000848484887 1057120859 /nfs/dbraw/zinc/12/08/59/1057120859.db2.gz SCOBMBGLYRXGKD-IBGZPJMESA-N 1 1 385.489 3.809 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001324433786 1057133925 /nfs/dbraw/zinc/13/39/25/1057133925.db2.gz RPSUKUPQALQBGG-HZPDHXFCSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001324433786 1057133928 /nfs/dbraw/zinc/13/39/28/1057133928.db2.gz RPSUKUPQALQBGG-HZPDHXFCSA-N 1 1 377.803 3.563 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001324588673 1057173574 /nfs/dbraw/zinc/17/35/74/1057173574.db2.gz XKVSOCUZTCSFSU-MJGOQNOKSA-N 1 1 386.427 3.863 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001324588673 1057173581 /nfs/dbraw/zinc/17/35/81/1057173581.db2.gz XKVSOCUZTCSFSU-MJGOQNOKSA-N 1 1 386.427 3.863 20 5 GHBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001442347059 1058949979 /nfs/dbraw/zinc/94/99/79/1058949979.db2.gz ZZDVWULYNPQEBQ-CVEARBPZSA-N 1 1 382.464 3.507 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001448533418 1060211564 /nfs/dbraw/zinc/21/15/64/1060211564.db2.gz FTIJMADKAODDEA-UHFFFAOYSA-N 1 1 389.839 3.564 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCC1 ZINC001449997533 1060499051 /nfs/dbraw/zinc/49/90/51/1060499051.db2.gz KJOPOPSNTNNVHM-UHFFFAOYSA-N 1 1 392.459 3.861 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC001452610246 1060971938 /nfs/dbraw/zinc/97/19/38/1060971938.db2.gz PEUZYBOECXSZJL-KRWDZBQOSA-N 1 1 379.526 3.898 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC001452610246 1060971941 /nfs/dbraw/zinc/97/19/41/1060971941.db2.gz PEUZYBOECXSZJL-KRWDZBQOSA-N 1 1 379.526 3.898 20 5 GHBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001452645003 1060977894 /nfs/dbraw/zinc/97/78/94/1060977894.db2.gz KZAWODIPKRDGKM-RYUDHWBXSA-N 1 1 390.242 3.787 20 5 GHBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001452694356 1060988813 /nfs/dbraw/zinc/98/88/13/1060988813.db2.gz HYYAVCZUQIEFBI-UHFFFAOYSA-N 1 1 380.429 3.886 20 5 GHBDMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001455073014 1061992099 /nfs/dbraw/zinc/99/20/99/1061992099.db2.gz XOFORKHIAHMKRH-GOSISDBHSA-N 1 1 385.439 3.861 20 5 GHBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001435741758 1062904774 /nfs/dbraw/zinc/90/47/74/1062904774.db2.gz YHZRZHLYPPWWQQ-IRXDYDNUSA-N 1 1 396.491 3.762 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001436142493 1063232544 /nfs/dbraw/zinc/23/25/44/1063232544.db2.gz UOEGKJCVJRWQDF-GHTZIAJQSA-N 1 1 397.450 3.809 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001436142507 1063232605 /nfs/dbraw/zinc/23/26/05/1063232605.db2.gz UOEGKJCVJRWQDF-WIYYLYMNSA-N 1 1 397.450 3.809 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001458237447 1063684864 /nfs/dbraw/zinc/68/48/64/1063684864.db2.gz FQLQRSZGDFYWAN-ZWKOTPCHSA-N 1 1 396.447 3.994 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001458253911 1063697135 /nfs/dbraw/zinc/69/71/35/1063697135.db2.gz RCTMQFOHLMTYNG-NVXWUHKLSA-N 1 1 392.459 3.648 20 5 GHBDMO CCCn1cc[nH+]c1CCCN(C)c1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001458312413 1063737311 /nfs/dbraw/zinc/73/73/11/1063737311.db2.gz GLMVKYSQCMLEDV-UHFFFAOYSA-N 1 1 383.452 3.827 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001437873241 1063945208 /nfs/dbraw/zinc/94/52/08/1063945208.db2.gz NUWQOQSEBIZQPJ-OAQYLSRUSA-N 1 1 381.476 3.506 20 5 GHBDMO CSc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)cc1[N+](=O)[O-] ZINC001438581925 1064077766 /nfs/dbraw/zinc/07/77/66/1064077766.db2.gz PJAIQKWSYWJXHD-MRXNPFEDSA-N 1 1 377.510 3.844 20 5 GHBDMO C[C@H](Cc1cccs1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001459632463 1064150919 /nfs/dbraw/zinc/15/09/19/1064150919.db2.gz ZGXGBYRDIMIHQD-CYBMUJFWSA-N 1 1 375.450 3.517 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001459645763 1064152756 /nfs/dbraw/zinc/15/27/56/1064152756.db2.gz CKBGIVHJJFYYCK-KRWDZBQOSA-N 1 1 382.464 3.572 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001459645763 1064152758 /nfs/dbraw/zinc/15/27/58/1064152758.db2.gz CKBGIVHJJFYYCK-KRWDZBQOSA-N 1 1 382.464 3.572 20 5 GHBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001466068391 1065972028 /nfs/dbraw/zinc/97/20/28/1065972028.db2.gz LANTXBGUXLMJRX-LLVKDONJSA-N 1 1 387.278 3.599 20 5 GHBDMO Cc1c(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001467401204 1067276555 /nfs/dbraw/zinc/27/65/55/1067276555.db2.gz GHAUDVFUXCJJBR-LLVKDONJSA-N 1 1 386.374 3.694 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000769494037 1068368643 /nfs/dbraw/zinc/36/86/43/1068368643.db2.gz WBLSWIMULSLRMU-HNNXBMFYSA-N 1 1 389.402 3.658 20 5 GHBDMO CCOc1cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001460258736 1068890944 /nfs/dbraw/zinc/89/09/44/1068890944.db2.gz QYRTVIYJQRAZTH-ZBFHGGJFSA-N 1 1 378.469 3.793 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC001460311281 1068919258 /nfs/dbraw/zinc/91/92/58/1068919258.db2.gz UMOJKHOMGINWGX-UHFFFAOYSA-N 1 1 381.411 3.899 20 5 GHBDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001460602762 1069021924 /nfs/dbraw/zinc/02/19/24/1069021924.db2.gz JFHDZSNJSUVFKE-ZWKOTPCHSA-N 1 1 388.439 3.742 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001472675636 1073610309 /nfs/dbraw/zinc/61/03/09/1073610309.db2.gz SAHJKVDOZHIDRG-FPISAVPCSA-N 1 1 375.469 3.848 20 5 GHBDMO COC(=O)/C=C/c1ccc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001472796877 1073670089 /nfs/dbraw/zinc/67/00/89/1073670089.db2.gz JCDKCBASKJQIQT-YBHKSSGVSA-N 1 1 383.448 3.713 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001472826118 1073683586 /nfs/dbraw/zinc/68/35/86/1073683586.db2.gz JHSQSBNKKMCDKF-LJQANCHMSA-N 1 1 376.460 3.896 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC001473124760 1073792386 /nfs/dbraw/zinc/79/23/86/1073792386.db2.gz JBAFXPCVDCFJFX-UHFFFAOYSA-N 1 1 389.427 3.982 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC001473135042 1073798866 /nfs/dbraw/zinc/79/88/66/1073798866.db2.gz AZTZXSHWDYUFLB-UHFFFAOYSA-N 1 1 385.439 3.936 20 5 GHBDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001473181525 1073837793 /nfs/dbraw/zinc/83/77/93/1073837793.db2.gz XQKXKKKVVHYBJY-OAHLLOKOSA-N 1 1 392.887 3.716 20 5 GHBDMO C[C@]1(CCc2ccccc2)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473213742 1073864249 /nfs/dbraw/zinc/86/42/49/1073864249.db2.gz XBLJUCKLNVQINR-QHCPKHFHSA-N 1 1 393.487 3.829 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001473425313 1073959778 /nfs/dbraw/zinc/95/97/78/1073959778.db2.gz GWMJOAFKZNIMPQ-UHFFFAOYSA-N 1 1 385.439 3.770 20 5 GHBDMO CC(C)(C)n1cncc1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001473896469 1074194484 /nfs/dbraw/zinc/19/44/84/1074194484.db2.gz DGARHVLYESJJKH-INIZCTEOSA-N 1 1 399.495 3.755 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2c1 ZINC001164623468 719061466 /nfs/dbraw/zinc/06/14/66/719061466.db2.gz JMBLRFFLZJPGNO-DYESRHJHSA-N 1 1 389.459 3.639 20 5 GHBDMO Cc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164728506 720354808 /nfs/dbraw/zinc/35/48/08/720354808.db2.gz VYTZQSUTCFXIRU-LEWJYISDSA-N 1 1 389.459 3.700 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721771 720375965 /nfs/dbraw/zinc/37/59/65/720375965.db2.gz AYQRNGKMTDIZGS-UONOGXRCSA-N 1 1 394.262 3.545 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc1-c1ccc(F)cc1 ZINC001164775201 721303464 /nfs/dbraw/zinc/30/34/64/721303464.db2.gz SCPQTFFKKPKTBA-UHFFFAOYSA-N 1 1 382.439 3.718 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019884 721814896 /nfs/dbraw/zinc/81/48/96/721814896.db2.gz CANGCYWCSVZWAG-YSIASYRMSA-N 1 1 395.507 3.739 20 5 GHBDMO Cc1c(C)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165024280 721815542 /nfs/dbraw/zinc/81/55/42/721815542.db2.gz KGYXPDOJKKWYDN-IHPCNDPISA-N 1 1 395.507 3.739 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCCN(CC(F)F)CC3)o2)c([N+](=O)[O-])c1 ZINC000580861154 837435654 /nfs/dbraw/zinc/43/56/54/837435654.db2.gz TZCJRPAOIJQKQD-UHFFFAOYSA-N 1 1 395.406 3.636 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431777475 837455015 /nfs/dbraw/zinc/45/50/15/837455015.db2.gz BJLYKKUTVNQELN-CYBMUJFWSA-N 1 1 398.301 3.599 20 5 GHBDMO Cc1ccc(C[C@H]2CCC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000581209292 837482449 /nfs/dbraw/zinc/48/24/49/837482449.db2.gz LSTPRZTYKFLZMR-CTNGQTDRSA-N 1 1 384.476 3.598 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000431801678 837695962 /nfs/dbraw/zinc/69/59/62/837695962.db2.gz SPIUNNSOVVCOGG-LPHOPBHVSA-N 1 1 396.491 3.965 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNc2ncnc3sc([N+](=O)[O-])cc32)cc1F ZINC000557534575 834351802 /nfs/dbraw/zinc/35/18/02/834351802.db2.gz FXAVBDVCACGHCW-UHFFFAOYSA-N 1 1 384.396 3.845 20 5 GHBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000573243496 834586545 /nfs/dbraw/zinc/58/65/45/834586545.db2.gz PHOKXOBGMWBPQS-UKRRQHHQSA-N 1 1 397.401 3.842 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000175291530 834697303 /nfs/dbraw/zinc/69/73/03/834697303.db2.gz SCXOGPNJBUWNCZ-LJQANCHMSA-N 1 1 381.476 3.508 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000430165766 834725233 /nfs/dbraw/zinc/72/52/33/834725233.db2.gz NNQSTTQQFAWGOM-HNNXBMFYSA-N 1 1 378.432 3.778 20 5 GHBDMO CC[N@H+](C[C@H](C)O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000510077411 834932398 /nfs/dbraw/zinc/93/23/98/834932398.db2.gz CTUJXZBBWUKUBV-UGSOOPFHSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](C[C@H](C)O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000510077411 834932402 /nfs/dbraw/zinc/93/24/02/834932402.db2.gz CTUJXZBBWUKUBV-UGSOOPFHSA-N 1 1 391.855 3.631 20 5 GHBDMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000176995375 837824288 /nfs/dbraw/zinc/82/42/88/837824288.db2.gz RMQVTDWPTZUCQY-CQSZACIVSA-N 1 1 380.404 3.587 20 5 GHBDMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000176995375 837824299 /nfs/dbraw/zinc/82/42/99/837824299.db2.gz RMQVTDWPTZUCQY-CQSZACIVSA-N 1 1 380.404 3.587 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(OCCc4ccccc4)CC3)nc2c1 ZINC000177025237 837834064 /nfs/dbraw/zinc/83/40/64/837834064.db2.gz LVKSGCHUOPSCCG-UHFFFAOYSA-N 1 1 381.432 3.960 20 5 GHBDMO CC[N@H+](CCC1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000536141010 835112668 /nfs/dbraw/zinc/11/26/68/835112668.db2.gz MRBDJLAOPYPJNI-UHFFFAOYSA-N 1 1 375.513 3.937 20 5 GHBDMO CC[N@@H+](CCC1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000536141010 835112673 /nfs/dbraw/zinc/11/26/73/835112673.db2.gz MRBDJLAOPYPJNI-UHFFFAOYSA-N 1 1 375.513 3.937 20 5 GHBDMO CC[C@H](C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000061759982 835207939 /nfs/dbraw/zinc/20/79/39/835207939.db2.gz PBLCOFCBFGKVKG-AWEZNQCLSA-N 1 1 385.420 3.563 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612132324 835588486 /nfs/dbraw/zinc/58/84/86/835588486.db2.gz JVFDGPNFBLLLSC-PCCBWWKXSA-N 1 1 393.487 3.554 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052829913 835688253 /nfs/dbraw/zinc/68/82/53/835688253.db2.gz GQCPRAVCTMUCLZ-LBPRGKRZSA-N 1 1 392.818 3.633 20 5 GHBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052829913 835688255 /nfs/dbraw/zinc/68/82/55/835688255.db2.gz GQCPRAVCTMUCLZ-LBPRGKRZSA-N 1 1 392.818 3.633 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000611815086 835854948 /nfs/dbraw/zinc/85/49/48/835854948.db2.gz AIWXUUBKEISVGE-HNNXBMFYSA-N 1 1 398.385 3.916 20 5 GHBDMO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000179555938 835876553 /nfs/dbraw/zinc/87/65/53/835876553.db2.gz OWCOEXHCFJFZLP-GKCIPKSASA-N 1 1 389.883 3.971 20 5 GHBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000614660580 835944745 /nfs/dbraw/zinc/94/47/45/835944745.db2.gz GGLNPRQSGPQMAS-QFIPXVFZSA-N 1 1 389.411 3.951 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c(Br)c1 ZINC001167100864 836077241 /nfs/dbraw/zinc/07/72/41/836077241.db2.gz OVKSJMGHCWJLPC-CYBMUJFWSA-N 1 1 377.242 3.527 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c(Br)c1 ZINC001167100864 836077252 /nfs/dbraw/zinc/07/72/52/836077252.db2.gz OVKSJMGHCWJLPC-CYBMUJFWSA-N 1 1 377.242 3.527 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411176175 836077601 /nfs/dbraw/zinc/07/76/01/836077601.db2.gz FLJLLGNQSSXUGV-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000431821216 836248912 /nfs/dbraw/zinc/24/89/12/836248912.db2.gz DUXBLIOVUILCNU-RDJZCZTQSA-N 1 1 398.463 3.632 20 5 GHBDMO O=[N+]([O-])c1ccc(CCN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000136675135 836311750 /nfs/dbraw/zinc/31/17/50/836311750.db2.gz ARGBUIHIVWORAT-INIZCTEOSA-N 1 1 391.353 3.653 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1[N+](=O)[O-] ZINC000414180110 836425518 /nfs/dbraw/zinc/42/55/18/836425518.db2.gz LGDNUDIXZHDWFN-DPZKZMLUSA-N 1 1 392.477 3.979 20 5 GHBDMO COc1ccc(OCC[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411997972 836488387 /nfs/dbraw/zinc/48/83/87/836488387.db2.gz JQXUZSFWSABMHK-OAQYLSRUSA-N 1 1 398.459 3.836 20 5 GHBDMO CCc1ccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1[N+](=O)[O-] ZINC000471971100 844173800 /nfs/dbraw/zinc/17/38/00/844173800.db2.gz RXWMGPKBHHJBFR-UHFFFAOYSA-N 1 1 393.487 3.820 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000471272231 836699347 /nfs/dbraw/zinc/69/93/47/836699347.db2.gz INFRWTPBVSLBCN-INIZCTEOSA-N 1 1 379.416 3.593 20 5 GHBDMO Cc1ccc(N2CCC(c3nc(Cc4ccccc4[N+](=O)[O-])no3)CC2)[nH+]c1 ZINC000612862742 836894634 /nfs/dbraw/zinc/89/46/34/836894634.db2.gz HZDNWXSVDJTEEI-UHFFFAOYSA-N 1 1 379.420 3.656 20 5 GHBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247139259 836923076 /nfs/dbraw/zinc/92/30/76/836923076.db2.gz WDCGNMWCTWORBN-YLJYHZDGSA-N 1 1 397.450 3.861 20 5 GHBDMO NC(=O)Nc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180062928 836982754 /nfs/dbraw/zinc/98/27/54/836982754.db2.gz CXFQEDGCYKXXDM-HXUWFJFHSA-N 1 1 376.416 3.965 20 5 GHBDMO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000414329324 837175508 /nfs/dbraw/zinc/17/55/08/837175508.db2.gz ASJKQXVZNQIGCE-YYWHXJBOSA-N 1 1 392.459 3.820 20 5 GHBDMO COc1ccc(C)cc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000547831952 837191183 /nfs/dbraw/zinc/19/11/83/837191183.db2.gz AKBANPYUUMNXRU-UHFFFAOYSA-N 1 1 395.463 3.500 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000247220882 837320721 /nfs/dbraw/zinc/32/07/21/837320721.db2.gz WRBURLKVSMYIBS-LSDHHAIUSA-N 1 1 379.888 3.975 20 5 GHBDMO CCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471423851 837851185 /nfs/dbraw/zinc/85/11/85/837851185.db2.gz KDTMGQRPPQGWDJ-QGZVFWFLSA-N 1 1 381.476 3.894 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177585108 837980598 /nfs/dbraw/zinc/98/05/98/837980598.db2.gz IZLGIEXEKYWTKV-FQEVSTJZSA-N 1 1 392.496 3.932 20 5 GHBDMO Cc1nn(CCC(=O)Nc2cccc3c2C[N@@H+](CCC(C)C)C3)c(C)c1[N+](=O)[O-] ZINC000102733123 838201171 /nfs/dbraw/zinc/20/11/71/838201171.db2.gz DENKGAAYUOTHRI-UHFFFAOYSA-N 1 1 399.495 3.799 20 5 GHBDMO O=C(CC[N@H+]1CCc2ccccc2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000416178524 838669394 /nfs/dbraw/zinc/66/93/94/838669394.db2.gz HTZXWDHORCBKRX-UHFFFAOYSA-N 1 1 379.460 3.534 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)nc1 ZINC000118866206 838733849 /nfs/dbraw/zinc/73/38/49/838733849.db2.gz OOTJRWHTHMVRCJ-AWEZNQCLSA-N 1 1 383.839 3.878 20 5 GHBDMO COc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414806051 838849322 /nfs/dbraw/zinc/84/93/22/838849322.db2.gz GZFNRPHDYOVKEM-GFCCVEGCSA-N 1 1 395.406 3.557 20 5 GHBDMO O=[N+]([O-])c1cnccc1NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000066812046 838955373 /nfs/dbraw/zinc/95/53/73/838955373.db2.gz ZYQUSQAPJRMWMK-UHFFFAOYSA-N 1 1 379.420 3.721 20 5 GHBDMO [NH3+][C@H]1CCC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000414925376 838989933 /nfs/dbraw/zinc/98/99/33/838989933.db2.gz LSTZJNYRKOYSQL-RYUDHWBXSA-N 1 1 394.269 3.977 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000412122707 839729128 /nfs/dbraw/zinc/72/91/28/839729128.db2.gz GUUNXSFDVLMMLO-WOGUSJMUSA-N 1 1 399.516 3.959 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2C2CC2)c1 ZINC000579725314 839835939 /nfs/dbraw/zinc/83/59/39/839835939.db2.gz ZGLRCSPIBGVBIO-UHFFFAOYSA-N 1 1 396.495 3.643 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610451758 840028623 /nfs/dbraw/zinc/02/86/23/840028623.db2.gz HPXRCHQSYSGBCW-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610451758 840028634 /nfs/dbraw/zinc/02/86/34/840028634.db2.gz HPXRCHQSYSGBCW-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610451758 840028637 /nfs/dbraw/zinc/02/86/37/840028637.db2.gz HPXRCHQSYSGBCW-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO Cc1cccc(OCC[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000015100193 840170094 /nfs/dbraw/zinc/17/00/94/840170094.db2.gz FNNHGKWWTGDIIJ-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO Cc1cccc(OCC[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000015100193 840170104 /nfs/dbraw/zinc/17/01/04/840170104.db2.gz FNNHGKWWTGDIIJ-UHFFFAOYSA-N 1 1 377.828 3.506 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000579862914 840182040 /nfs/dbraw/zinc/18/20/40/840182040.db2.gz UUZSLIWMKZAXBH-UHFFFAOYSA-N 1 1 376.460 3.944 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000579862914 840182047 /nfs/dbraw/zinc/18/20/47/840182047.db2.gz UUZSLIWMKZAXBH-UHFFFAOYSA-N 1 1 376.460 3.944 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000047127639 840216541 /nfs/dbraw/zinc/21/65/41/840216541.db2.gz WSEDUFSGMIVRTM-IYBDPMFKSA-N 1 1 398.463 3.526 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000047127639 840216553 /nfs/dbraw/zinc/21/65/53/840216553.db2.gz WSEDUFSGMIVRTM-IYBDPMFKSA-N 1 1 398.463 3.526 20 5 GHBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000110594710 840245838 /nfs/dbraw/zinc/24/58/38/840245838.db2.gz YHHMLGBOFGGUHT-KRWDZBQOSA-N 1 1 396.491 3.763 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](CCO)[C@@H]3CCc4ccccc43)co2)cc1 ZINC000119334670 840268714 /nfs/dbraw/zinc/26/87/14/840268714.db2.gz YQQVWKUIWOWQOF-HXUWFJFHSA-N 1 1 379.416 3.732 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](CCO)[C@@H]3CCc4ccccc43)co2)cc1 ZINC000119334670 840268720 /nfs/dbraw/zinc/26/87/20/840268720.db2.gz YQQVWKUIWOWQOF-HXUWFJFHSA-N 1 1 379.416 3.732 20 5 GHBDMO CCC[N@@H+]1CCC[C@@H]1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000123965948 840357623 /nfs/dbraw/zinc/35/76/23/840357623.db2.gz VWQQGTITRFFCFS-LJQANCHMSA-N 1 1 397.431 3.627 20 5 GHBDMO CCC[N@H+]1CCC[C@@H]1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000123965948 840357635 /nfs/dbraw/zinc/35/76/35/840357635.db2.gz VWQQGTITRFFCFS-LJQANCHMSA-N 1 1 397.431 3.627 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000120571251 844548231 /nfs/dbraw/zinc/54/82/31/844548231.db2.gz UNVTUXFAUVTTQF-ACJLOTCBSA-N 1 1 389.477 3.755 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000120571251 844548238 /nfs/dbraw/zinc/54/82/38/844548238.db2.gz UNVTUXFAUVTTQF-ACJLOTCBSA-N 1 1 389.477 3.755 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C1CC1 ZINC000561307955 840665143 /nfs/dbraw/zinc/66/51/43/840665143.db2.gz DHGXJJWEFIVIGY-MRXNPFEDSA-N 1 1 383.477 3.922 20 5 GHBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000581100438 840705096 /nfs/dbraw/zinc/70/50/96/840705096.db2.gz VMCUOXHCSJBWHG-AWEZNQCLSA-N 1 1 382.844 3.726 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000511803247 840812064 /nfs/dbraw/zinc/81/20/64/840812064.db2.gz VUVCHBXBCVRPSV-IBGZPJMESA-N 1 1 385.439 3.764 20 5 GHBDMO C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000302066576 861192353 /nfs/dbraw/zinc/19/23/53/861192353.db2.gz WHDRCPSYWNJFAZ-RYUDHWBXSA-N 1 1 383.290 3.817 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000500076895 841378774 /nfs/dbraw/zinc/37/87/74/841378774.db2.gz UOMXTEOJVBUALA-SFHVURJKSA-N 1 1 397.475 3.887 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000500074907 841383726 /nfs/dbraw/zinc/38/37/26/841383726.db2.gz NJPXNWYQZHIBKB-SFHVURJKSA-N 1 1 382.464 3.524 20 5 GHBDMO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000500137255 841508747 /nfs/dbraw/zinc/50/87/47/841508747.db2.gz HSSRKQIRHNYBRV-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000500137255 841508753 /nfs/dbraw/zinc/50/87/53/841508753.db2.gz HSSRKQIRHNYBRV-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000555544611 861212131 /nfs/dbraw/zinc/21/21/31/861212131.db2.gz VXYJRVVAACYRTL-OAHLLOKOSA-N 1 1 397.258 3.700 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000255324999 841700055 /nfs/dbraw/zinc/70/00/55/841700055.db2.gz VOQXEQCVTWAYIO-DZFYGRHCSA-N 1 1 375.469 3.797 20 5 GHBDMO CCc1nn(C)c(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000302172234 861229148 /nfs/dbraw/zinc/22/91/48/861229148.db2.gz QCNAENJNIDYWIC-ZIFCJYIRSA-N 1 1 383.496 3.603 20 5 GHBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000302174258 861229457 /nfs/dbraw/zinc/22/94/57/861229457.db2.gz QLKUKAVYBZYGGV-UHFFFAOYSA-N 1 1 376.844 3.516 20 5 GHBDMO Cc1cc([NH+]2CCCC2)ccc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109147306 841798974 /nfs/dbraw/zinc/79/89/74/841798974.db2.gz QQBBONUFJXDKJP-FQEVSTJZSA-N 1 1 380.448 3.721 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCOc1ccccc1F ZINC000015045845 841823474 /nfs/dbraw/zinc/82/34/74/841823474.db2.gz CROBMJRHUHIICQ-LBPRGKRZSA-N 1 1 395.818 3.725 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCOc1ccccc1F ZINC000015045845 841823485 /nfs/dbraw/zinc/82/34/85/841823485.db2.gz CROBMJRHUHIICQ-LBPRGKRZSA-N 1 1 395.818 3.725 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000603834216 861247622 /nfs/dbraw/zinc/24/76/22/861247622.db2.gz LUMACNWJKSLTDP-XJKSGUPXSA-N 1 1 394.435 3.684 20 5 GHBDMO Cc1nccc([C@@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000603834216 861247636 /nfs/dbraw/zinc/24/76/36/861247636.db2.gz LUMACNWJKSLTDP-XJKSGUPXSA-N 1 1 394.435 3.684 20 5 GHBDMO Cc1c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933352201 841898333 /nfs/dbraw/zinc/89/83/33/841898333.db2.gz JWSLZLQYXNPAHA-YOGCLGLASA-N 1 1 386.374 3.669 20 5 GHBDMO COc1ccc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000603841226 861255263 /nfs/dbraw/zinc/25/52/63/861255263.db2.gz VIIJKRMXYGXCNA-UHFFFAOYSA-N 1 1 389.883 3.965 20 5 GHBDMO Cc1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1[N+](=O)[O-] ZINC000549618689 842003248 /nfs/dbraw/zinc/00/32/48/842003248.db2.gz UYSIMFLMBLRXKZ-IBGZPJMESA-N 1 1 396.491 3.639 20 5 GHBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000121448304 842075747 /nfs/dbraw/zinc/07/57/47/842075747.db2.gz JVQFEPKPWWEHJH-ZBFHGGJFSA-N 1 1 399.422 3.910 20 5 GHBDMO CCCc1[nH]nc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000609476548 842085021 /nfs/dbraw/zinc/08/50/21/842085021.db2.gz CDOSVZYYMLJBDJ-CQSZACIVSA-N 1 1 385.468 3.755 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@H]1C ZINC000585699787 842118192 /nfs/dbraw/zinc/11/81/92/842118192.db2.gz FEEVGLASLPHLSM-DGCLKSJQSA-N 1 1 398.301 3.611 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157471144 842154746 /nfs/dbraw/zinc/15/47/46/842154746.db2.gz DWGNXYZKPNQDHP-MRXNPFEDSA-N 1 1 389.496 3.720 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000603862203 861290031 /nfs/dbraw/zinc/29/00/31/861290031.db2.gz KSXAAPQORALGQR-IYBDPMFKSA-N 1 1 396.491 3.784 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1 ZINC000500436686 842379972 /nfs/dbraw/zinc/37/99/72/842379972.db2.gz OOXCROBKUVOHGU-DYESRHJHSA-N 1 1 382.464 3.527 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600230621 861316963 /nfs/dbraw/zinc/31/69/63/861316963.db2.gz WWDCPDNOONSLGS-INIZCTEOSA-N 1 1 377.510 3.844 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430772714 842964009 /nfs/dbraw/zinc/96/40/09/842964009.db2.gz MRKDPLYRDGBQMW-CQSZACIVSA-N 1 1 393.509 3.682 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCSC2(CCCCC2)C1 ZINC000430772714 842964019 /nfs/dbraw/zinc/96/40/19/842964019.db2.gz MRKDPLYRDGBQMW-CQSZACIVSA-N 1 1 393.509 3.682 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000510592939 843002333 /nfs/dbraw/zinc/00/23/33/843002333.db2.gz SQUCPGNEDQPPRL-CYBMUJFWSA-N 1 1 376.407 3.785 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430913435 843181603 /nfs/dbraw/zinc/18/16/03/843181603.db2.gz VBLDNDQVTQIOCZ-UTKZUKDTSA-N 1 1 397.475 3.646 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430913435 843181610 /nfs/dbraw/zinc/18/16/10/843181610.db2.gz VBLDNDQVTQIOCZ-UTKZUKDTSA-N 1 1 397.475 3.646 20 5 GHBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000647763590 843273243 /nfs/dbraw/zinc/27/32/43/843273243.db2.gz FKOCAPUMWHMHQH-QGZVFWFLSA-N 1 1 389.499 3.713 20 5 GHBDMO COc1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000512288074 843330670 /nfs/dbraw/zinc/33/06/70/843330670.db2.gz YCRXTKXGEDSTCP-QFIPXVFZSA-N 1 1 381.476 3.701 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000610669298 843456369 /nfs/dbraw/zinc/45/63/69/843456369.db2.gz QBBUAYZWHYSHRX-GOSISDBHSA-N 1 1 381.476 3.650 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549607329 843471561 /nfs/dbraw/zinc/47/15/61/843471561.db2.gz QJNZFYGJMHCGON-FRRDWIJNSA-N 1 1 387.402 3.710 20 5 GHBDMO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC)c1 ZINC000510815745 843549939 /nfs/dbraw/zinc/54/99/39/843549939.db2.gz WIUBEACDFIXMAX-IBGZPJMESA-N 1 1 392.839 3.825 20 5 GHBDMO CCOc1cc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276851584 843552708 /nfs/dbraw/zinc/55/27/08/843552708.db2.gz DSPHGOCCBLIDQP-PTFIGZPYSA-N 1 1 376.478 3.924 20 5 GHBDMO CCOc1cc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276851584 843552715 /nfs/dbraw/zinc/55/27/15/843552715.db2.gz DSPHGOCCBLIDQP-PTFIGZPYSA-N 1 1 376.478 3.924 20 5 GHBDMO CCOCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599625508 861452747 /nfs/dbraw/zinc/45/27/47/861452747.db2.gz MVCHNGRRFZIKPP-IBGZPJMESA-N 1 1 397.475 3.868 20 5 GHBDMO CCOCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599625508 861452755 /nfs/dbraw/zinc/45/27/55/861452755.db2.gz MVCHNGRRFZIKPP-IBGZPJMESA-N 1 1 397.475 3.868 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542336085 843833069 /nfs/dbraw/zinc/83/30/69/843833069.db2.gz CMYKOLRIFXEBCD-CYBMUJFWSA-N 1 1 385.917 3.721 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542336091 843833148 /nfs/dbraw/zinc/83/31/48/843833148.db2.gz CMYKOLRIFXEBCD-ZDUSSCGKSA-N 1 1 385.917 3.721 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512475903 843952465 /nfs/dbraw/zinc/95/24/65/843952465.db2.gz WIPMMGUKEGSQKU-PZJWPPBQSA-N 1 1 394.519 3.548 20 5 GHBDMO CCOCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000500753739 843953258 /nfs/dbraw/zinc/95/32/58/843953258.db2.gz UXPAONZSAZXUHZ-UHFFFAOYSA-N 1 1 380.448 3.916 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000573741772 844669726 /nfs/dbraw/zinc/66/97/26/844669726.db2.gz LZCAKVANGJBGSF-KVULBXGLSA-N 1 1 383.414 3.977 20 5 GHBDMO COc1ccc([C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cn1 ZINC000599703416 861516887 /nfs/dbraw/zinc/51/68/87/861516887.db2.gz OLZNMOLTXOUWIU-LJQANCHMSA-N 1 1 380.404 3.894 20 5 GHBDMO COC[C@@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC000599683302 861522041 /nfs/dbraw/zinc/52/20/41/861522041.db2.gz QTMCROIEVCNEQL-JLTOFOAXSA-N 1 1 380.448 3.996 20 5 GHBDMO COC[C@@H](C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC000599683302 861522054 /nfs/dbraw/zinc/52/20/54/861522054.db2.gz QTMCROIEVCNEQL-JLTOFOAXSA-N 1 1 380.448 3.996 20 5 GHBDMO CC(=O)Nc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000433086066 845236555 /nfs/dbraw/zinc/23/65/55/845236555.db2.gz YVKAWZJSQHKBKB-NRFANRHFSA-N 1 1 376.416 3.827 20 5 GHBDMO CC(=O)Nc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000433086067 845236839 /nfs/dbraw/zinc/23/68/39/845236839.db2.gz YVKAWZJSQHKBKB-OAQYLSRUSA-N 1 1 376.416 3.827 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000509784279 845378209 /nfs/dbraw/zinc/37/82/09/845378209.db2.gz VOJYCEPBKNMSTF-DLBZAZTESA-N 1 1 376.501 3.635 20 5 GHBDMO CC(C)(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000509781509 845389260 /nfs/dbraw/zinc/38/92/60/845389260.db2.gz IEAXOZBMMQGGRJ-GOSISDBHSA-N 1 1 381.476 3.511 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000433826417 845441603 /nfs/dbraw/zinc/44/16/03/845441603.db2.gz OLKCNPRUEOQQJO-HNNXBMFYSA-N 1 1 399.495 3.603 20 5 GHBDMO C[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000182929718 845647537 /nfs/dbraw/zinc/64/75/37/845647537.db2.gz UGIJRSXCHYSMEV-YOEHRIQHSA-N 1 1 383.423 3.849 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000072022421 846237291 /nfs/dbraw/zinc/23/72/91/846237291.db2.gz OSCFDLXAQDRILE-QKPAOTATSA-N 1 1 379.526 3.558 20 5 GHBDMO C[C@@H](CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+](C)Cc1ccccc1 ZINC000137251951 846256596 /nfs/dbraw/zinc/25/65/96/846256596.db2.gz PFKNOUYHUDIHME-INIZCTEOSA-N 1 1 394.475 3.645 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421506717 846314937 /nfs/dbraw/zinc/31/49/37/846314937.db2.gz KDRXMKHJWKJDCZ-PKOBYXMFSA-N 1 1 381.476 3.852 20 5 GHBDMO O=C(CC[N@H+]1CC=C(c2c(F)cccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000501055766 846587070 /nfs/dbraw/zinc/58/70/70/846587070.db2.gz QRHZAOHZJVQAMQ-UHFFFAOYSA-N 1 1 387.386 3.991 20 5 GHBDMO O=C(CC[N@@H+]1CC=C(c2c(F)cccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000501055766 846587073 /nfs/dbraw/zinc/58/70/73/846587073.db2.gz QRHZAOHZJVQAMQ-UHFFFAOYSA-N 1 1 387.386 3.991 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000501093450 846634087 /nfs/dbraw/zinc/63/40/87/846634087.db2.gz JLSUWWMOZRSQKT-ABAIWWIYSA-N 1 1 399.289 3.551 20 5 GHBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000503166965 846884788 /nfs/dbraw/zinc/88/47/88/846884788.db2.gz MRVMSMMOJUCMMR-KGLIPLIRSA-N 1 1 379.420 3.663 20 5 GHBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)c1 ZINC000604082147 861736549 /nfs/dbraw/zinc/73/65/49/861736549.db2.gz SHXFUBTUYIOXFB-UHFFFAOYSA-N 1 1 395.381 3.858 20 5 GHBDMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511103680 846963021 /nfs/dbraw/zinc/96/30/21/846963021.db2.gz DKWQZRNXMNDSOJ-AWEZNQCLSA-N 1 1 391.418 3.567 20 5 GHBDMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511103680 846963034 /nfs/dbraw/zinc/96/30/34/846963034.db2.gz DKWQZRNXMNDSOJ-AWEZNQCLSA-N 1 1 391.418 3.567 20 5 GHBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475004893 861780615 /nfs/dbraw/zinc/78/06/15/861780615.db2.gz XAGMAFPIEHDIAQ-SFHVURJKSA-N 1 1 398.463 3.732 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000582520950 847474044 /nfs/dbraw/zinc/47/40/44/847474044.db2.gz ATKCKOVPPLMKLT-BKTGTZMESA-N 1 1 387.867 3.913 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000582520950 847474050 /nfs/dbraw/zinc/47/40/50/847474050.db2.gz ATKCKOVPPLMKLT-BKTGTZMESA-N 1 1 387.867 3.913 20 5 GHBDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1SC ZINC000131895324 861808269 /nfs/dbraw/zinc/80/82/69/861808269.db2.gz QTYFAFFRWSIDQL-ZDUSSCGKSA-N 1 1 389.477 3.784 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1SC ZINC000131895324 861808286 /nfs/dbraw/zinc/80/82/86/861808286.db2.gz QTYFAFFRWSIDQL-ZDUSSCGKSA-N 1 1 389.477 3.784 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)CC23CCC3)cc1OC ZINC000420995262 847617290 /nfs/dbraw/zinc/61/72/90/847617290.db2.gz OLIFCLHGERTZJC-NVXWUHKLSA-N 1 1 392.496 3.908 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)CC23CCC3)cc1OC ZINC000420995262 847617295 /nfs/dbraw/zinc/61/72/95/847617295.db2.gz OLIFCLHGERTZJC-NVXWUHKLSA-N 1 1 392.496 3.908 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503408375 847686599 /nfs/dbraw/zinc/68/65/99/847686599.db2.gz STTRRAQVLBOULX-QGZVFWFLSA-N 1 1 384.480 3.906 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000444743614 861832022 /nfs/dbraw/zinc/83/20/22/861832022.db2.gz JFJPGOUJADKUJN-ZDUSSCGKSA-N 1 1 375.400 3.510 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000444743614 861832032 /nfs/dbraw/zinc/83/20/32/861832032.db2.gz JFJPGOUJADKUJN-ZDUSSCGKSA-N 1 1 375.400 3.510 20 5 GHBDMO C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604127373 861862559 /nfs/dbraw/zinc/86/25/59/861862559.db2.gz VESZZPIQLCWDFI-VQIMIIECSA-N 1 1 382.464 3.620 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000582797962 848406539 /nfs/dbraw/zinc/40/65/39/848406539.db2.gz VSWTWSJVEPLGHT-ZDUSSCGKSA-N 1 1 393.390 3.698 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000582797962 848406545 /nfs/dbraw/zinc/40/65/45/848406545.db2.gz VSWTWSJVEPLGHT-ZDUSSCGKSA-N 1 1 393.390 3.698 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000613239948 848942708 /nfs/dbraw/zinc/94/27/08/848942708.db2.gz BZMFBTGDHQAIPA-GOSISDBHSA-N 1 1 396.491 3.784 20 5 GHBDMO Cc1cc(C2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n[nH]1 ZINC000272911886 861971262 /nfs/dbraw/zinc/97/12/62/861971262.db2.gz HOJIOIFOOQVXHR-UHFFFAOYSA-N 1 1 381.436 3.703 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CC[C@@H]21 ZINC000278223917 849729561 /nfs/dbraw/zinc/72/95/61/849729561.db2.gz SLKYKXBXWAEESD-YWZLYKJASA-N 1 1 375.472 3.650 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437916926 850087150 /nfs/dbraw/zinc/08/71/50/850087150.db2.gz QSPILHSPELULCX-CALCHBBNSA-N 1 1 388.512 3.637 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000518782757 850090881 /nfs/dbraw/zinc/09/08/81/850090881.db2.gz KZHURXFQEVGRIW-GRDNDAEWSA-N 1 1 377.510 3.509 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000518801860 850167585 /nfs/dbraw/zinc/16/75/85/850167585.db2.gz BREZZNJMVJNXJU-UHFFFAOYSA-N 1 1 385.439 3.718 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000505627373 850213800 /nfs/dbraw/zinc/21/38/00/850213800.db2.gz DJBHHJDJEOAGTB-FQEVSTJZSA-N 1 1 391.537 3.901 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)cc2)C[C@H](C)O1 ZINC000504968765 850492123 /nfs/dbraw/zinc/49/21/23/850492123.db2.gz IJORVMNULOKSHJ-GASCZTMLSA-N 1 1 394.431 3.921 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000439871963 850519663 /nfs/dbraw/zinc/51/96/63/850519663.db2.gz ATRDHIJOICMMLT-CABCVRRESA-N 1 1 390.484 3.768 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)sc2C1 ZINC000425077439 851066087 /nfs/dbraw/zinc/06/60/87/851066087.db2.gz IBNHGOORTMVDQL-UHFFFAOYSA-N 1 1 399.476 3.942 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000174909119 851076659 /nfs/dbraw/zinc/07/66/59/851076659.db2.gz JCKACMCOARRYCW-OAQYLSRUSA-N 1 1 397.475 3.604 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000425440903 851084695 /nfs/dbraw/zinc/08/46/95/851084695.db2.gz FFYKURLGBSCPKB-GOSISDBHSA-N 1 1 391.265 3.671 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000515572219 851183195 /nfs/dbraw/zinc/18/31/95/851183195.db2.gz RCFKHOWXRZOQOD-MRXNPFEDSA-N 1 1 383.448 3.987 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436242853 851359888 /nfs/dbraw/zinc/35/98/88/851359888.db2.gz GHXPQEZOKMUSPD-OAHLLOKOSA-N 1 1 395.478 3.671 20 5 GHBDMO CN(C(=O)C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000604521196 862241985 /nfs/dbraw/zinc/24/19/85/862241985.db2.gz BSXVBURHUUUHHO-AVRDEDQJSA-N 1 1 397.475 3.657 20 5 GHBDMO CCOc1ccc(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000514248906 851475124 /nfs/dbraw/zinc/47/51/24/851475124.db2.gz XQMUZZJXTGIAJF-UHFFFAOYSA-N 1 1 385.464 3.634 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000604504481 862261398 /nfs/dbraw/zinc/26/13/98/862261398.db2.gz IONUSJKNGHESPC-QKLQHJQFSA-N 1 1 388.512 3.651 20 5 GHBDMO C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000488965178 851898144 /nfs/dbraw/zinc/89/81/44/851898144.db2.gz CFNWKRQMTMSXSG-MRXNPFEDSA-N 1 1 384.480 3.650 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](COc4ccccc4)C3)n2)c1 ZINC000505834104 851982050 /nfs/dbraw/zinc/98/20/50/851982050.db2.gz SQCFJLQJMFEMIX-HNNXBMFYSA-N 1 1 380.404 3.546 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](COc4ccccc4)C3)n2)c1 ZINC000505834104 851982057 /nfs/dbraw/zinc/98/20/57/851982057.db2.gz SQCFJLQJMFEMIX-HNNXBMFYSA-N 1 1 380.404 3.546 20 5 GHBDMO CC(C)(NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000489078984 851985912 /nfs/dbraw/zinc/98/59/12/851985912.db2.gz SCYLXNKBHDMPGL-GOSISDBHSA-N 1 1 396.491 3.794 20 5 GHBDMO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1=O ZINC000550255870 852149142 /nfs/dbraw/zinc/14/91/42/852149142.db2.gz VYGQTEBRXYZGLL-WBMJQRKESA-N 1 1 377.441 3.637 20 5 GHBDMO CC[N@H+](CCCO)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489297499 852204287 /nfs/dbraw/zinc/20/42/87/852204287.db2.gz WVHORFAESUSNFI-SFHVURJKSA-N 1 1 391.855 3.632 20 5 GHBDMO CC[N@@H+](CCCO)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489297499 852204291 /nfs/dbraw/zinc/20/42/91/852204291.db2.gz WVHORFAESUSNFI-SFHVURJKSA-N 1 1 391.855 3.632 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000506211919 852281006 /nfs/dbraw/zinc/28/10/06/852281006.db2.gz VUBDMQSOEJGPLT-OAHLLOKOSA-N 1 1 379.526 3.947 20 5 GHBDMO CCOc1ccc(CN(C)C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000516287496 852393807 /nfs/dbraw/zinc/39/38/07/852393807.db2.gz SMBDMSWEVTWKCZ-UHFFFAOYSA-N 1 1 399.491 3.863 20 5 GHBDMO CCOc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000516287496 852393813 /nfs/dbraw/zinc/39/38/13/852393813.db2.gz SMBDMSWEVTWKCZ-UHFFFAOYSA-N 1 1 399.491 3.863 20 5 GHBDMO Cc1ccc2cc([C@H](C)[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)oc2c1 ZINC000426017282 852450677 /nfs/dbraw/zinc/45/06/77/852450677.db2.gz LSNQSEAQDTTWFY-AWEZNQCLSA-N 1 1 388.445 3.774 20 5 GHBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000438546603 852540358 /nfs/dbraw/zinc/54/03/58/852540358.db2.gz QCGBPMFBIONVBZ-LJQANCHMSA-N 1 1 385.464 3.600 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000505905917 852547973 /nfs/dbraw/zinc/54/79/73/852547973.db2.gz JSRSTNVNKOHRTI-CVEARBPZSA-N 1 1 384.480 3.803 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000732575855 862370866 /nfs/dbraw/zinc/37/08/66/862370866.db2.gz QBGJCQODDLAGOG-UHFFFAOYSA-N 1 1 379.888 3.976 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000489848618 852606660 /nfs/dbraw/zinc/60/66/60/852606660.db2.gz ZKCYSGVQWKJCAG-CALCHBBNSA-N 1 1 388.512 3.637 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](C)CCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000507319373 852789605 /nfs/dbraw/zinc/78/96/05/852789605.db2.gz OAGJMHTTZTYHFU-UHFFFAOYSA-N 1 1 393.443 3.870 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](C)CCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000507319373 852789607 /nfs/dbraw/zinc/78/96/07/852789607.db2.gz OAGJMHTTZTYHFU-UHFFFAOYSA-N 1 1 393.443 3.870 20 5 GHBDMO CCOc1ccc(NC(=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000490824791 853277182 /nfs/dbraw/zinc/27/71/82/853277182.db2.gz IAAQNHIQAQCBLK-UHFFFAOYSA-N 1 1 383.448 3.987 20 5 GHBDMO CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729479899 853370735 /nfs/dbraw/zinc/37/07/35/853370735.db2.gz GLCKFTQUMWTYCJ-INIZCTEOSA-N 1 1 393.484 3.825 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000140111284 853376489 /nfs/dbraw/zinc/37/64/89/853376489.db2.gz OIKWWRPSUAYPHW-AWEZNQCLSA-N 1 1 398.488 3.780 20 5 GHBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000518475391 853391495 /nfs/dbraw/zinc/39/14/95/853391495.db2.gz SNSPUHDIBLOMGU-ROUUACIJSA-N 1 1 397.258 3.871 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)nc2c1 ZINC000518535128 853488815 /nfs/dbraw/zinc/48/88/15/853488815.db2.gz YDLGZNIWRSCXNL-KRWDZBQOSA-N 1 1 391.475 3.758 20 5 GHBDMO Cc1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)cc1[N+](=O)[O-] ZINC000426378286 853642839 /nfs/dbraw/zinc/64/28/39/853642839.db2.gz KXDOXAPAHCPMIS-UHFFFAOYSA-N 1 1 385.283 3.722 20 5 GHBDMO Cc1ccc(C[N@@H+](CCO)Cc2cc(Br)cs2)cc1[N+](=O)[O-] ZINC000426378286 853642844 /nfs/dbraw/zinc/64/28/44/853642844.db2.gz KXDOXAPAHCPMIS-UHFFFAOYSA-N 1 1 385.283 3.722 20 5 GHBDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000439483211 853710145 /nfs/dbraw/zinc/71/01/45/853710145.db2.gz GNWMPMXTOXLEMW-RNODOKPDSA-N 1 1 387.436 3.680 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000763989734 862495252 /nfs/dbraw/zinc/49/52/52/862495252.db2.gz AEFZFUOEGPFTES-FYINFDKHSA-N 1 1 398.459 3.943 20 5 GHBDMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000571464694 853885546 /nfs/dbraw/zinc/88/55/46/853885546.db2.gz FDWDUJKQZVZZRR-CQSZACIVSA-N 1 1 391.418 3.567 20 5 GHBDMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000571464694 853885549 /nfs/dbraw/zinc/88/55/49/853885549.db2.gz FDWDUJKQZVZZRR-CQSZACIVSA-N 1 1 391.418 3.567 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000587978360 854056727 /nfs/dbraw/zinc/05/67/27/854056727.db2.gz VILUNUIBMRZZDD-KBPBESRZSA-N 1 1 375.498 3.690 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441373563 854157116 /nfs/dbraw/zinc/15/71/16/854157116.db2.gz BRRWDUWPTRAHRH-KGLIPLIRSA-N 1 1 387.402 3.779 20 5 GHBDMO CCOc1cc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000572312914 854459695 /nfs/dbraw/zinc/45/96/95/854459695.db2.gz PTHHBNUTUGZMGR-HNNXBMFYSA-N 1 1 384.354 3.836 20 5 GHBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3nc(-c4ccccc4Cl)sc3C2)n1 ZINC000588973497 854621872 /nfs/dbraw/zinc/62/18/72/854621872.db2.gz YFKCXMLACCDNJG-UHFFFAOYSA-N 1 1 389.868 3.627 20 5 GHBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3nc(-c4ccccc4Cl)sc3C2)n1 ZINC000588973497 854621875 /nfs/dbraw/zinc/62/18/75/854621875.db2.gz YFKCXMLACCDNJG-UHFFFAOYSA-N 1 1 389.868 3.627 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(-c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)s1 ZINC000350259188 862597511 /nfs/dbraw/zinc/59/75/11/862597511.db2.gz XRAZPTVODLAAKX-UHFFFAOYSA-N 1 1 390.331 3.892 20 5 GHBDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000589494196 854907454 /nfs/dbraw/zinc/90/74/54/854907454.db2.gz IXQVYJGSJFVJQM-OAHLLOKOSA-N 1 1 386.448 3.843 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])sc2C1 ZINC000273089939 855053005 /nfs/dbraw/zinc/05/30/05/855053005.db2.gz ZTVBGRYLMFFQKD-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])sc2C1 ZINC000273089939 855053014 /nfs/dbraw/zinc/05/30/14/855053014.db2.gz ZTVBGRYLMFFQKD-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399043 855079695 /nfs/dbraw/zinc/07/96/95/855079695.db2.gz VGDXDCOWGOPNNG-QRQLOZEOSA-N 1 1 387.524 3.933 20 5 GHBDMO COc1cc(C[NH+]2CC(C(F)F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590968690 855680280 /nfs/dbraw/zinc/68/02/80/855680280.db2.gz AJBGDJACZMGDQY-UHFFFAOYSA-N 1 1 378.375 3.879 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000591011516 855720565 /nfs/dbraw/zinc/72/05/65/855720565.db2.gz VBQRCSWGJWJCLI-QGZVFWFLSA-N 1 1 388.512 3.510 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591034917 855730200 /nfs/dbraw/zinc/73/02/00/855730200.db2.gz BQCIVFUWWFFCMH-HNAWSFBYSA-N 1 1 389.496 3.575 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000591026250 855746356 /nfs/dbraw/zinc/74/63/56/855746356.db2.gz ZPSJDYGGYVQOPR-VXGBXAGGSA-N 1 1 389.374 3.595 20 5 GHBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000129595451 856194595 /nfs/dbraw/zinc/19/45/95/856194595.db2.gz NFRUWKZEFFMKGB-UHFFFAOYSA-N 1 1 379.416 3.750 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000129595451 856194601 /nfs/dbraw/zinc/19/46/01/856194601.db2.gz NFRUWKZEFFMKGB-UHFFFAOYSA-N 1 1 379.416 3.750 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1nc(N2CCCC2)cc[nH+]1 ZINC000733185058 862786282 /nfs/dbraw/zinc/78/62/82/862786282.db2.gz PDSFRJPOHYGSHL-UHFFFAOYSA-N 1 1 396.373 3.528 20 5 GHBDMO O=C(C[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)NCc1ccc(F)cc1 ZINC000592138401 856683342 /nfs/dbraw/zinc/68/33/42/856683342.db2.gz KZBGPMPHIPBVGY-OAHLLOKOSA-N 1 1 391.468 3.714 20 5 GHBDMO O=C(C[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)NCc1ccc(F)cc1 ZINC000592138401 856683350 /nfs/dbraw/zinc/68/33/50/856683350.db2.gz KZBGPMPHIPBVGY-OAHLLOKOSA-N 1 1 391.468 3.714 20 5 GHBDMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC001128863648 856882861 /nfs/dbraw/zinc/88/28/61/856882861.db2.gz LOSHILUUESJKSK-JOCHJYFZSA-N 1 1 395.503 3.959 20 5 GHBDMO C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000485673029 856909977 /nfs/dbraw/zinc/90/99/77/856909977.db2.gz SBBXHXWYCNKGQI-WFASDCNBSA-N 1 1 391.269 4.000 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173653035 857062598 /nfs/dbraw/zinc/06/25/98/857062598.db2.gz YUYDFINLHRMIDO-IBGZPJMESA-N 1 1 397.475 3.771 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000245698161 857102545 /nfs/dbraw/zinc/10/25/45/857102545.db2.gz YPMNGUFBLIWSGF-DLBZAZTESA-N 1 1 398.507 3.732 20 5 GHBDMO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1OC(F)F ZINC000485822626 857131519 /nfs/dbraw/zinc/13/15/19/857131519.db2.gz HFTAWFRASPEXKC-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1OC(F)F ZINC000485822626 857131523 /nfs/dbraw/zinc/13/15/23/857131523.db2.gz HFTAWFRASPEXKC-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245736022 857154963 /nfs/dbraw/zinc/15/49/63/857154963.db2.gz KUCPFHGLZPPBKJ-PKOBYXMFSA-N 1 1 392.477 3.642 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245736022 857154966 /nfs/dbraw/zinc/15/49/66/857154966.db2.gz KUCPFHGLZPPBKJ-PKOBYXMFSA-N 1 1 392.477 3.642 20 5 GHBDMO Cc1c(CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245917767 857197950 /nfs/dbraw/zinc/19/79/50/857197950.db2.gz FVDCCKMAQNXXOF-UWJYYQICSA-N 1 1 395.503 3.957 20 5 GHBDMO COc1ccc(C[NH+]2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)cc1[N+](=O)[O-] ZINC000593076687 857338447 /nfs/dbraw/zinc/33/84/47/857338447.db2.gz DNKCTOYCJMBBNQ-CZUORRHYSA-N 1 1 386.452 3.565 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000593077448 857339442 /nfs/dbraw/zinc/33/94/42/857339442.db2.gz QEAILUXVLSKBQO-SUMWQHHRSA-N 1 1 386.452 3.565 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000593077446 857339527 /nfs/dbraw/zinc/33/95/27/857339527.db2.gz QEAILUXVLSKBQO-DYVFJYSZSA-N 1 1 386.452 3.565 20 5 GHBDMO COc1ccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592427682 857402987 /nfs/dbraw/zinc/40/29/87/857402987.db2.gz PVVWXYAEQXLWNC-LPHOPBHVSA-N 1 1 399.491 3.742 20 5 GHBDMO CNc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC000574394237 857809236 /nfs/dbraw/zinc/80/92/36/857809236.db2.gz DMGGTGHZYFFDBB-UHFFFAOYSA-N 1 1 389.481 3.502 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000499652676 858092724 /nfs/dbraw/zinc/09/27/24/858092724.db2.gz IITHEBGPGQMKTH-UHFFFAOYSA-N 1 1 386.496 3.718 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000439088832 858249248 /nfs/dbraw/zinc/24/92/48/858249248.db2.gz IORXYXRFQHKQKU-SFHVURJKSA-N 1 1 388.512 3.753 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C)cc1N1CCOCC1 ZINC000595009064 858365263 /nfs/dbraw/zinc/36/52/63/858365263.db2.gz BISQKENZSGCSMO-INIZCTEOSA-N 1 1 385.464 3.599 20 5 GHBDMO COc1cc(CCC2CC[NH+](Cc3onc(C)c3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000595289625 858461504 /nfs/dbraw/zinc/46/15/04/858461504.db2.gz UPIYXPRDABWIGL-UHFFFAOYSA-N 1 1 389.452 3.753 20 5 GHBDMO CNC(=O)c1ccc(Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)c([N+](=O)[O-])c1 ZINC000301878124 858469613 /nfs/dbraw/zinc/46/96/13/858469613.db2.gz NXVDBAPKKNFTBP-UHFFFAOYSA-N 1 1 381.436 3.882 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1cccc(OC)c1 ZINC000046761894 858492721 /nfs/dbraw/zinc/49/27/21/858492721.db2.gz KYYJEAVWXJQBJS-CQSZACIVSA-N 1 1 387.436 3.634 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1cccc(OC)c1 ZINC000046761894 858492727 /nfs/dbraw/zinc/49/27/27/858492727.db2.gz KYYJEAVWXJQBJS-CQSZACIVSA-N 1 1 387.436 3.634 20 5 GHBDMO COc1cccc(C2([NH2+]Cc3ccc(F)cc3[N+](=O)[O-])CCOCC2)c1F ZINC000595461985 858538372 /nfs/dbraw/zinc/53/83/72/858538372.db2.gz RXBKTYNBRSNJBV-UHFFFAOYSA-N 1 1 378.375 3.677 20 5 GHBDMO COc1ccc2cc(C[N@@H+](C)C[C@@H](O)COc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000543140432 858587064 /nfs/dbraw/zinc/58/70/64/858587064.db2.gz MJQQYALQIAVZRC-LJQANCHMSA-N 1 1 396.443 3.628 20 5 GHBDMO COc1cc(C[NH+]2CCC(c3ccon3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000595837229 858690726 /nfs/dbraw/zinc/69/07/26/858690726.db2.gz PLVJPWQIUIATRG-UHFFFAOYSA-N 1 1 383.351 3.572 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000595881495 858704325 /nfs/dbraw/zinc/70/43/25/858704325.db2.gz SLVQGJDWCLXOQU-INIZCTEOSA-N 1 1 383.448 3.594 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595906860 858714301 /nfs/dbraw/zinc/71/43/01/858714301.db2.gz AUGDCFMMCZGNSB-OAHLLOKOSA-N 1 1 383.496 3.726 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001128630553 863059775 /nfs/dbraw/zinc/05/97/75/863059775.db2.gz VBVYWXSENORCCZ-NRFANRHFSA-N 1 1 381.476 3.617 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000482685968 858761870 /nfs/dbraw/zinc/76/18/70/858761870.db2.gz FUVZTBMMYGBECC-UHFFFAOYSA-N 1 1 393.491 3.815 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160318847 858810522 /nfs/dbraw/zinc/81/05/22/858810522.db2.gz TXVNTLHDGWTEPE-LBPRGKRZSA-N 1 1 388.390 3.809 20 5 GHBDMO C[N@H+]1CC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000596177290 858815224 /nfs/dbraw/zinc/81/52/24/858815224.db2.gz DGDCOBFENVRFIM-XHDPSFHLSA-N 1 1 380.807 3.593 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000439258935 858869485 /nfs/dbraw/zinc/86/94/85/858869485.db2.gz JDZADSSKSIKMTR-NRFANRHFSA-N 1 1 385.464 3.505 20 5 GHBDMO COc1cccc([C@H]2[C@H](NC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000482827268 858887537 /nfs/dbraw/zinc/88/75/37/858887537.db2.gz QVJQIPXKKVXVER-RTWAWAEBSA-N 1 1 395.459 3.620 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000068271051 858959771 /nfs/dbraw/zinc/95/97/71/858959771.db2.gz VEHRWYKBQOSTLK-UHFFFAOYSA-N 1 1 384.480 3.553 20 5 GHBDMO C[C@@H]1CCC[C@](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000237527520 858961305 /nfs/dbraw/zinc/96/13/05/858961305.db2.gz XWCGQZUTTTUYSE-IERDGZPVSA-N 1 1 385.512 3.595 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1OC ZINC000439300060 858990674 /nfs/dbraw/zinc/99/06/74/858990674.db2.gz QPZLLRNBVHNRRG-XIRDDKMYSA-N 1 1 380.485 3.764 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596828230 859110958 /nfs/dbraw/zinc/11/09/58/859110958.db2.gz CLQRMEKOFPYXFB-QGZVFWFLSA-N 1 1 386.496 3.676 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483112679 859157794 /nfs/dbraw/zinc/15/77/94/859157794.db2.gz SYXMWYPBMUZPQN-OAHLLOKOSA-N 1 1 387.411 3.561 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)c([N+](=O)[O-])c1 ZINC001170352625 881389953 /nfs/dbraw/zinc/38/99/53/881389953.db2.gz OUSRZOGMZMNRDT-HOCLYGCPSA-N 1 1 388.468 3.920 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000470203880 859216801 /nfs/dbraw/zinc/21/68/01/859216801.db2.gz FUNGPWHDZXBQJL-FYVGXUMQSA-N 1 1 395.503 3.567 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000470203880 859216810 /nfs/dbraw/zinc/21/68/10/859216810.db2.gz FUNGPWHDZXBQJL-FYVGXUMQSA-N 1 1 395.503 3.567 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000470203880 859216821 /nfs/dbraw/zinc/21/68/21/859216821.db2.gz FUNGPWHDZXBQJL-FYVGXUMQSA-N 1 1 395.503 3.567 20 5 GHBDMO COc1cc(C[N@@H+](C)CC2=CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597207269 859346438 /nfs/dbraw/zinc/34/64/38/859346438.db2.gz ZIJHFVLNMYDERT-UHFFFAOYSA-N 1 1 398.459 3.961 20 5 GHBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000611205197 859650449 /nfs/dbraw/zinc/65/04/49/859650449.db2.gz NBKJVDMSYSJURN-LAUBAEHRSA-N 1 1 397.475 3.941 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+](CCCO)[C@H]1CCCc3ccccc31)OCCO2 ZINC000611274526 859677675 /nfs/dbraw/zinc/67/76/75/859677675.db2.gz KONWPCWSFPMUJW-IBGZPJMESA-N 1 1 398.459 3.628 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765026799 859750762 /nfs/dbraw/zinc/75/07/62/859750762.db2.gz KUESDKALNRAKLO-FOIQADDNSA-N 1 1 375.469 3.989 20 5 GHBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc(C)[nH+]1 ZINC001127822726 859778327 /nfs/dbraw/zinc/77/83/27/859778327.db2.gz JPDRPAOUBAELDU-UHFFFAOYSA-N 1 1 376.416 3.893 20 5 GHBDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000611555159 859803999 /nfs/dbraw/zinc/80/39/99/859803999.db2.gz PNGWMSAPWUVZNO-NEPJUHHUSA-N 1 1 387.358 3.556 20 5 GHBDMO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1F ZINC000025372505 859816474 /nfs/dbraw/zinc/81/64/74/859816474.db2.gz RRDQXMNWYZGKIK-UHFFFAOYSA-N 1 1 396.422 3.613 20 5 GHBDMO CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161392654 859924735 /nfs/dbraw/zinc/92/47/35/859924735.db2.gz ZJHAZEQZIMLZOE-GOSISDBHSA-N 1 1 398.463 3.732 20 5 GHBDMO CCc1ccc([C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000484356762 859971806 /nfs/dbraw/zinc/97/18/06/859971806.db2.gz VFZGJEYNEKPVRP-HXUWFJFHSA-N 1 1 383.448 3.559 20 5 GHBDMO CCc1ccc([C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000484356762 859971808 /nfs/dbraw/zinc/97/18/08/859971808.db2.gz VFZGJEYNEKPVRP-HXUWFJFHSA-N 1 1 383.448 3.559 20 5 GHBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602455058 860030108 /nfs/dbraw/zinc/03/01/08/860030108.db2.gz PVUCIBRGNJYWEG-ZDUSSCGKSA-N 1 1 387.402 3.598 20 5 GHBDMO CCCc1noc([C@H]2CCC[N@H+]([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)n1 ZINC001170352044 881494095 /nfs/dbraw/zinc/49/40/95/881494095.db2.gz KGFAQPBXXQLKIR-HOCLYGCPSA-N 1 1 388.468 3.750 20 5 GHBDMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000092755144 860121878 /nfs/dbraw/zinc/12/18/78/860121878.db2.gz GJRYPZVOJIDELU-ZDUSSCGKSA-N 1 1 399.438 3.569 20 5 GHBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000555162790 860177625 /nfs/dbraw/zinc/17/76/25/860177625.db2.gz VNURDXAOEMWELO-GFCCVEGCSA-N 1 1 390.406 3.533 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000602673623 860191984 /nfs/dbraw/zinc/19/19/84/860191984.db2.gz ABEHJLRBLUCRGB-QGZVFWFLSA-N 1 1 395.381 3.792 20 5 GHBDMO Cc1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000727766976 860213090 /nfs/dbraw/zinc/21/30/90/860213090.db2.gz OIVQINQAGAFNGX-CQSZACIVSA-N 1 1 382.464 3.970 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000124194265 860266991 /nfs/dbraw/zinc/26/69/91/860266991.db2.gz HWGBDCBIRGWERQ-CVEARBPZSA-N 1 1 379.526 3.560 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000484730429 860309060 /nfs/dbraw/zinc/30/90/60/860309060.db2.gz OZSJPWCWTSUTLN-UHFFFAOYSA-N 1 1 396.491 3.939 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155036594 860372012 /nfs/dbraw/zinc/37/20/12/860372012.db2.gz JCZNJPGRNLKYPH-RDJZCZTQSA-N 1 1 398.463 3.507 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155036594 860372017 /nfs/dbraw/zinc/37/20/17/860372017.db2.gz JCZNJPGRNLKYPH-RDJZCZTQSA-N 1 1 398.463 3.507 20 5 GHBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000474585265 860406514 /nfs/dbraw/zinc/40/65/14/860406514.db2.gz YTYQKKLJJGVPCS-UHFFFAOYSA-N 1 1 385.489 3.912 20 5 GHBDMO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(Cl)cc1F ZINC000131373472 860429110 /nfs/dbraw/zinc/42/91/10/860429110.db2.gz QCUFPGBFUMUADX-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO O=C(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(Cl)cc1F ZINC000131373472 860429117 /nfs/dbraw/zinc/42/91/17/860429117.db2.gz QCUFPGBFUMUADX-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484942911 860512875 /nfs/dbraw/zinc/51/28/75/860512875.db2.gz RMVKARFENHLQSM-IAGOWNOFSA-N 1 1 399.878 3.842 20 5 GHBDMO Cc1ccc(C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025534885 860535080 /nfs/dbraw/zinc/53/50/80/860535080.db2.gz LAPBKNIDLTYKBN-OAQYLSRUSA-N 1 1 381.476 3.716 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001168734580 860574419 /nfs/dbraw/zinc/57/44/19/860574419.db2.gz YOGONWPTOSSWOM-KBPBESRZSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001168734580 860574426 /nfs/dbraw/zinc/57/44/26/860574426.db2.gz YOGONWPTOSSWOM-KBPBESRZSA-N 1 1 383.286 3.996 20 5 GHBDMO Cc1nn(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761290607 860600285 /nfs/dbraw/zinc/60/02/85/860600285.db2.gz LHRIEMHTOQNSRA-WMZOPIPTSA-N 1 1 385.512 3.797 20 5 GHBDMO Cc1cc(C2([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCOCC2)on1 ZINC000599019785 860743260 /nfs/dbraw/zinc/74/32/60/860743260.db2.gz HBJAIJTUKIJVBJ-UHFFFAOYSA-N 1 1 383.404 3.947 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000555816880 861040456 /nfs/dbraw/zinc/04/04/56/861040456.db2.gz ZAHRQKXYLXXSEM-NEPJUHHUSA-N 1 1 398.301 3.658 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC1 ZINC000482475617 863186275 /nfs/dbraw/zinc/18/62/75/863186275.db2.gz HDWMLRYKKSQELM-HXUWFJFHSA-N 1 1 392.459 3.717 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000186013716 863730349 /nfs/dbraw/zinc/73/03/49/863730349.db2.gz BKLJQLXXDVWHOC-UHFFFAOYSA-N 1 1 390.871 3.699 20 5 GHBDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000444253213 863761572 /nfs/dbraw/zinc/76/15/72/863761572.db2.gz SPEMKHKZIFWTMR-XHBSWPGZSA-N 1 1 396.285 3.949 20 5 GHBDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000444253213 863761579 /nfs/dbraw/zinc/76/15/79/863761579.db2.gz SPEMKHKZIFWTMR-XHBSWPGZSA-N 1 1 396.285 3.949 20 5 GHBDMO O=[N+]([O-])c1c(Br)cccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000856737516 881703789 /nfs/dbraw/zinc/70/37/89/881703789.db2.gz GGFXZHAGTRSKGF-WFASDCNBSA-N 1 1 380.286 3.810 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000609201511 881711319 /nfs/dbraw/zinc/71/13/19/881711319.db2.gz JOPCQIKEGQXHAU-QGZVFWFLSA-N 1 1 397.475 3.778 20 5 GHBDMO Cc1[nH+]ccn1CCCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000172766512 863974233 /nfs/dbraw/zinc/97/42/33/863974233.db2.gz IQPDTPNEFVEIJB-UHFFFAOYSA-N 1 1 387.318 3.919 20 5 GHBDMO Cc1c(CN2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CC2)cccc1[N+](=O)[O-] ZINC000071950611 864196534 /nfs/dbraw/zinc/19/65/34/864196534.db2.gz HNXHHCCASAXZHF-UHFFFAOYSA-N 1 1 398.463 3.828 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000897045097 864342285 /nfs/dbraw/zinc/34/22/85/864342285.db2.gz DSOOMRFEMNQASA-UHFFFAOYSA-N 1 1 386.292 3.750 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000792874741 881764696 /nfs/dbraw/zinc/76/46/96/881764696.db2.gz XYSRTCBNXVXQST-UHFFFAOYSA-N 1 1 385.420 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000792874741 881764704 /nfs/dbraw/zinc/76/47/04/881764704.db2.gz XYSRTCBNXVXQST-UHFFFAOYSA-N 1 1 385.420 3.810 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000554842804 865001635 /nfs/dbraw/zinc/00/16/35/865001635.db2.gz OXHHTTRLAYWFJR-UHFFFAOYSA-N 1 1 399.447 3.562 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000554842804 865001642 /nfs/dbraw/zinc/00/16/42/865001642.db2.gz OXHHTTRLAYWFJR-UHFFFAOYSA-N 1 1 399.447 3.562 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000736593297 865244140 /nfs/dbraw/zinc/24/41/40/865244140.db2.gz FBUSNMYTFWWDBA-RHSMWYFYSA-N 1 1 381.411 3.828 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCS[C@@H](c4ccccc4)C3)n2)c1 ZINC000738246670 865518066 /nfs/dbraw/zinc/51/80/66/865518066.db2.gz URDLZJVTBFBBDC-GOSISDBHSA-N 1 1 381.461 3.601 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCS[C@@H](c4ccccc4)C3)n2)c1 ZINC000738246670 865518070 /nfs/dbraw/zinc/51/80/70/865518070.db2.gz URDLZJVTBFBBDC-GOSISDBHSA-N 1 1 381.461 3.601 20 5 GHBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000608915837 865811653 /nfs/dbraw/zinc/81/16/53/865811653.db2.gz MOBLMDYSHPPHOF-BBWFWOEESA-N 1 1 390.528 3.537 20 5 GHBDMO COc1cccc(C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C2CCC(O)CC2)c1 ZINC000609040564 865914359 /nfs/dbraw/zinc/91/43/59/865914359.db2.gz WFHQREMBJZDWJB-UHFFFAOYSA-N 1 1 384.476 3.952 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1F ZINC000067523830 866206262 /nfs/dbraw/zinc/20/62/62/866206262.db2.gz KDPWBODFZBVSIZ-UHFFFAOYSA-N 1 1 388.786 3.811 20 5 GHBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2)C[C@H](C)O1 ZINC000523099181 866223828 /nfs/dbraw/zinc/22/38/28/866223828.db2.gz KXIXVWZQCZUGIT-STQMWFEESA-N 1 1 375.450 3.518 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2)C[C@H](C)O1 ZINC000523099179 866224160 /nfs/dbraw/zinc/22/41/60/866224160.db2.gz KXIXVWZQCZUGIT-BETUJISGSA-N 1 1 375.450 3.518 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2)C[C@H](C)O1 ZINC000523099179 866224177 /nfs/dbraw/zinc/22/41/77/866224177.db2.gz KXIXVWZQCZUGIT-BETUJISGSA-N 1 1 375.450 3.518 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000475575148 866387576 /nfs/dbraw/zinc/38/75/76/866387576.db2.gz YZICYTGQLPENMV-VQIMIIECSA-N 1 1 382.464 3.854 20 5 GHBDMO Cc1cccc(C2(O)CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000741803868 866828997 /nfs/dbraw/zinc/82/89/97/866828997.db2.gz HSSMZUPSRBQPOK-QGZVFWFLSA-N 1 1 397.475 3.522 20 5 GHBDMO C[C@@H](c1ccccc1Br)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440487632 866963068 /nfs/dbraw/zinc/96/30/68/866963068.db2.gz LKLHDTWJSDACEI-STQMWFEESA-N 1 1 391.269 4.000 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000440494479 866966056 /nfs/dbraw/zinc/96/60/56/866966056.db2.gz MGBZMEXCPBATTD-AWEZNQCLSA-N 1 1 396.369 3.574 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000542485665 882036468 /nfs/dbraw/zinc/03/64/68/882036468.db2.gz SAFIOFYEBKIEBC-FUHWJXTLSA-N 1 1 395.793 3.588 20 5 GHBDMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444684955 867060907 /nfs/dbraw/zinc/06/09/07/867060907.db2.gz OVUHCDOJYQHHKB-UHFFFAOYSA-N 1 1 394.479 3.605 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cc(C)ccc1F ZINC000444747314 867172650 /nfs/dbraw/zinc/17/26/50/867172650.db2.gz YRMORVWXAAFKLN-UHFFFAOYSA-N 1 1 375.400 3.512 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248782286 867365164 /nfs/dbraw/zinc/36/51/64/867365164.db2.gz IAVHLXZSFMBIAK-UIFIKXQLSA-N 1 1 381.476 3.725 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000553494419 867507637 /nfs/dbraw/zinc/50/76/37/867507637.db2.gz IOSWACOLVMUTJU-AWEZNQCLSA-N 1 1 389.477 3.635 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000535204599 868345012 /nfs/dbraw/zinc/34/50/12/868345012.db2.gz CTTJPSOHZCZQIK-SFHVURJKSA-N 1 1 380.448 3.926 20 5 GHBDMO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183983195 868859836 /nfs/dbraw/zinc/85/98/36/868859836.db2.gz RZLOCVRBAPLRAA-CRAIPNDOSA-N 1 1 385.439 3.618 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000480008743 868894529 /nfs/dbraw/zinc/89/45/29/868894529.db2.gz ABSUUTAWKDXNQN-OAHLLOKOSA-N 1 1 397.401 3.825 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000480011499 868898279 /nfs/dbraw/zinc/89/82/79/868898279.db2.gz IMEXUMPWXXCJDD-RDJZCZTQSA-N 1 1 377.485 3.736 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000445892830 869120300 /nfs/dbraw/zinc/12/03/00/869120300.db2.gz FNUPMIKHPOCXLA-INIZCTEOSA-N 1 1 388.512 3.563 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000445949344 869211408 /nfs/dbraw/zinc/21/14/08/869211408.db2.gz LWPDSZUXGOUHKA-DYESRHJHSA-N 1 1 381.476 3.554 20 5 GHBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000524649573 869398981 /nfs/dbraw/zinc/39/89/81/869398981.db2.gz MAEGVUMKAWZXMC-UHFFFAOYSA-N 1 1 397.406 3.889 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000524649573 869398993 /nfs/dbraw/zinc/39/89/93/869398993.db2.gz MAEGVUMKAWZXMC-UHFFFAOYSA-N 1 1 397.406 3.889 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)[C@@H](C)C1 ZINC000462484577 869527221 /nfs/dbraw/zinc/52/72/21/869527221.db2.gz SKQFXPZDGDZOHA-WMZOPIPTSA-N 1 1 384.480 3.735 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000539685848 869598659 /nfs/dbraw/zinc/59/86/59/869598659.db2.gz WEBJFWCIIHQWFV-IRXDYDNUSA-N 1 1 377.510 3.844 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000539846627 869892830 /nfs/dbraw/zinc/89/28/30/869892830.db2.gz DGPDROIWJCKEOJ-IBGZPJMESA-N 1 1 381.476 3.914 20 5 GHBDMO Cc1nn(CN2CC[N@H+](CCCc3ccccc3)C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000793721292 882376400 /nfs/dbraw/zinc/37/64/00/882376400.db2.gz LXXHVTXUROUKAR-OAQYLSRUSA-N 1 1 399.539 3.722 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]Cc3c4c(nn3C)CCCC4)o2)c([N+](=O)[O-])c1 ZINC000462871746 870263817 /nfs/dbraw/zinc/26/38/17/870263817.db2.gz RKCICZLNTNUBQB-UHFFFAOYSA-N 1 1 396.447 3.766 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000746453876 870740291 /nfs/dbraw/zinc/74/02/91/870740291.db2.gz OFANFUHIRIMWBP-LBPRGKRZSA-N 1 1 377.828 3.975 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000746453876 870740300 /nfs/dbraw/zinc/74/03/00/870740300.db2.gz OFANFUHIRIMWBP-LBPRGKRZSA-N 1 1 377.828 3.975 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1N1CCCC1 ZINC000122352129 870829371 /nfs/dbraw/zinc/82/93/71/870829371.db2.gz HVIJIHYKQYGAMW-UHFFFAOYSA-N 1 1 382.464 3.656 20 5 GHBDMO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168980419 871053264 /nfs/dbraw/zinc/05/32/64/871053264.db2.gz DMHBETOSVAWGOG-CWLGOENISA-N 1 1 386.533 3.525 20 5 GHBDMO COc1ccc(C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001168992562 871073578 /nfs/dbraw/zinc/07/35/78/871073578.db2.gz FTVPGGYHRAKDRA-IRXDYDNUSA-N 1 1 383.492 3.850 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169010200 871094055 /nfs/dbraw/zinc/09/40/55/871094055.db2.gz ZVCJLVOMNXCDHN-IRXDYDNUSA-N 1 1 381.517 3.545 20 5 GHBDMO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169050162 871131967 /nfs/dbraw/zinc/13/19/67/871131967.db2.gz YXNWSSRHUPDSLF-KSSFIOAISA-N 1 1 375.469 3.837 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169054664 871133661 /nfs/dbraw/zinc/13/36/61/871133661.db2.gz NIBIHAFFFXNRKM-MKXGPGLRSA-N 1 1 395.544 3.980 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001193660854 871220136 /nfs/dbraw/zinc/22/01/36/871220136.db2.gz FFWVQLOHLPUVHI-HXUWFJFHSA-N 1 1 399.491 3.628 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001193660854 871220148 /nfs/dbraw/zinc/22/01/48/871220148.db2.gz FFWVQLOHLPUVHI-HXUWFJFHSA-N 1 1 399.491 3.628 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)C1CC1 ZINC000539121671 871351074 /nfs/dbraw/zinc/35/10/74/871351074.db2.gz BDHMVMVSYRWWNP-QGZVFWFLSA-N 1 1 381.411 3.630 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(Oc3ncccc3F)CC2)ccc1[N+](=O)[O-] ZINC000447358759 871468388 /nfs/dbraw/zinc/46/83/88/871468388.db2.gz ZZOCVBTYKFXYKH-UHFFFAOYSA-N 1 1 375.400 3.571 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000618462267 871628374 /nfs/dbraw/zinc/62/83/74/871628374.db2.gz MGIJWVIGACRYRJ-QGZVFWFLSA-N 1 1 387.867 3.903 20 5 GHBDMO COC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001194478460 871739859 /nfs/dbraw/zinc/73/98/59/871739859.db2.gz WMPAEPASRVCKCG-QGZVFWFLSA-N 1 1 384.432 3.640 20 5 GHBDMO Nc1nc(Br)ccc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001194477858 871739979 /nfs/dbraw/zinc/73/99/79/871739979.db2.gz RNWVKHVLVZVQII-CYBMUJFWSA-N 1 1 391.269 3.714 20 5 GHBDMO Nc1nc(Br)ccc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001194477858 871739991 /nfs/dbraw/zinc/73/99/91/871739991.db2.gz RNWVKHVLVZVQII-CYBMUJFWSA-N 1 1 391.269 3.714 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000182175377 871986914 /nfs/dbraw/zinc/98/69/14/871986914.db2.gz ROCGEKHNRZZBNQ-GOSISDBHSA-N 1 1 382.416 3.630 20 5 GHBDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000128119821 871992596 /nfs/dbraw/zinc/99/25/96/871992596.db2.gz DSSKUIXNCUGKCX-LJQANCHMSA-N 1 1 386.448 3.793 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)nc2c1 ZINC000447685289 872163217 /nfs/dbraw/zinc/16/32/17/872163217.db2.gz JSKNMJFUCJHBEX-UTKZUKDTSA-N 1 1 391.475 3.962 20 5 GHBDMO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000447932566 872567071 /nfs/dbraw/zinc/56/70/71/872567071.db2.gz ZNCCNKHNBAVJRD-MGPUTAFESA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000447932566 872567074 /nfs/dbraw/zinc/56/70/74/872567074.db2.gz ZNCCNKHNBAVJRD-MGPUTAFESA-N 1 1 390.867 3.790 20 5 GHBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000619567147 872746310 /nfs/dbraw/zinc/74/63/10/872746310.db2.gz VNOJCEDQMRGQCZ-GOSISDBHSA-N 1 1 382.464 3.895 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC001196031025 872841455 /nfs/dbraw/zinc/84/14/55/872841455.db2.gz FXBPQJOSIUHKRD-SFHVURJKSA-N 1 1 398.459 3.915 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC001196031025 872841470 /nfs/dbraw/zinc/84/14/70/872841470.db2.gz FXBPQJOSIUHKRD-SFHVURJKSA-N 1 1 398.459 3.915 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001196469214 873117329 /nfs/dbraw/zinc/11/73/29/873117329.db2.gz HTIUIXCFAWXJSB-ORAYPTAESA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001196469214 873117333 /nfs/dbraw/zinc/11/73/33/873117333.db2.gz HTIUIXCFAWXJSB-ORAYPTAESA-N 1 1 379.432 3.613 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC001196603827 873224781 /nfs/dbraw/zinc/22/47/81/873224781.db2.gz CNSFVMWKSGOISK-UHFFFAOYSA-N 1 1 386.233 3.966 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCCC3(CC3)CC2)c1 ZINC001196603827 873224790 /nfs/dbraw/zinc/22/47/90/873224790.db2.gz CNSFVMWKSGOISK-UHFFFAOYSA-N 1 1 386.233 3.966 20 5 GHBDMO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C[C@@H]1CC=CCC1 ZINC000541319814 873363905 /nfs/dbraw/zinc/36/39/05/873363905.db2.gz DSSCJIUEJLIQBH-CQSZACIVSA-N 1 1 386.477 3.945 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000768554413 873384086 /nfs/dbraw/zinc/38/40/86/873384086.db2.gz WHHKAQVDPHUQSB-INIZCTEOSA-N 1 1 389.427 3.828 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000768554413 873384099 /nfs/dbraw/zinc/38/40/99/873384099.db2.gz WHHKAQVDPHUQSB-INIZCTEOSA-N 1 1 389.427 3.828 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001197167523 873634919 /nfs/dbraw/zinc/63/49/19/873634919.db2.gz IEYNEPWRWVWVCX-RDJZCZTQSA-N 1 1 393.459 3.955 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000769119654 873820915 /nfs/dbraw/zinc/82/09/15/873820915.db2.gz DEZQOSVUHZVCDY-BSDKJSHOSA-N 1 1 375.469 3.845 20 5 GHBDMO C[C@H](C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000769133199 873833231 /nfs/dbraw/zinc/83/32/31/873833231.db2.gz HTGMVNKJWAAPBF-ZDUSSCGKSA-N 1 1 378.375 3.652 20 5 GHBDMO C[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1Cc1ccccc1 ZINC000541577152 873895959 /nfs/dbraw/zinc/89/59/59/873895959.db2.gz JEZIBVOFOFPWBW-MRXNPFEDSA-N 1 1 377.448 3.639 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858046717 882782513 /nfs/dbraw/zinc/78/25/13/882782513.db2.gz PUKIYZXFPWWRBT-HXUWFJFHSA-N 1 1 383.448 3.789 20 5 GHBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000769421422 874037146 /nfs/dbraw/zinc/03/71/46/874037146.db2.gz BSBKJWIVXCJFGI-KYZJMWGYSA-N 1 1 375.469 3.843 20 5 GHBDMO C[C@H]1[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000441301594 874190863 /nfs/dbraw/zinc/19/08/63/874190863.db2.gz HQIHWLSXYQYASA-GOEBONIOSA-N 1 1 385.489 3.959 20 5 GHBDMO COc1cc(CNC(C)(C)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000464693243 874329042 /nfs/dbraw/zinc/32/90/42/874329042.db2.gz TWKKLEYWDXTSPE-UHFFFAOYSA-N 1 1 375.444 3.743 20 5 GHBDMO COc1cc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000464693243 874329053 /nfs/dbraw/zinc/32/90/53/874329053.db2.gz TWKKLEYWDXTSPE-UHFFFAOYSA-N 1 1 375.444 3.743 20 5 GHBDMO C[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449012163 874359201 /nfs/dbraw/zinc/35/92/01/874359201.db2.gz ZCTABHNMEHREOG-OAHLLOKOSA-N 1 1 388.489 3.766 20 5 GHBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000464734743 874370734 /nfs/dbraw/zinc/37/07/34/874370734.db2.gz RHNCPGUBNFIZQK-PWRODBHTSA-N 1 1 390.528 3.756 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000770015386 874405420 /nfs/dbraw/zinc/40/54/20/874405420.db2.gz WELZYGNGMVYZGY-MLGOLLRUSA-N 1 1 378.860 3.729 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464785100 874491163 /nfs/dbraw/zinc/49/11/63/874491163.db2.gz LSJZAQARCSYYRO-JXXFODFXSA-N 1 1 389.496 3.521 20 5 GHBDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000449378734 874794967 /nfs/dbraw/zinc/79/49/67/874794967.db2.gz XLTPKKJHMAFMCM-LLVKDONJSA-N 1 1 383.242 3.820 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449545452 875010840 /nfs/dbraw/zinc/01/08/40/875010840.db2.gz YTGREWKOIFHKCM-IFXJQAMLSA-N 1 1 382.407 3.868 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(CC(F)(F)F)CC1 ZINC000449757307 875330922 /nfs/dbraw/zinc/33/09/22/875330922.db2.gz DFWXKMCOXLOOKN-UHFFFAOYSA-N 1 1 397.344 3.655 20 5 GHBDMO Cc1[nH+]ccn1CCOC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000771930446 875534079 /nfs/dbraw/zinc/53/40/79/875534079.db2.gz KOTKGQUPYDLNOQ-AWEZNQCLSA-N 1 1 395.419 3.525 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000151731563 875875458 /nfs/dbraw/zinc/87/54/58/875875458.db2.gz LHNCAAVMTQRATC-CRAIPNDOSA-N 1 1 385.439 3.825 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)[NH+]1CCOCC1 ZINC000106405648 876023985 /nfs/dbraw/zinc/02/39/85/876023985.db2.gz MVXJMKGXEVULNZ-CYBMUJFWSA-N 1 1 389.839 3.894 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@H]1CO ZINC000443848514 876028852 /nfs/dbraw/zinc/02/88/52/876028852.db2.gz AFZJAYGLZPZFFY-BZNIZROVSA-N 1 1 395.253 3.820 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278914 876163349 /nfs/dbraw/zinc/16/33/49/876163349.db2.gz SGMSATKPIDBTLW-NRFANRHFSA-N 1 1 380.448 3.583 20 5 GHBDMO C[C@@H]1C[N@@H+](CCC2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000537659561 883006105 /nfs/dbraw/zinc/00/61/05/883006105.db2.gz YJYANOWGHMLXCC-MMHDITDQSA-N 1 1 387.524 3.819 20 5 GHBDMO C[C@@H]1C[N@H+](CCC2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000537659561 883006122 /nfs/dbraw/zinc/00/61/22/883006122.db2.gz YJYANOWGHMLXCC-MMHDITDQSA-N 1 1 387.524 3.819 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000850431876 876915180 /nfs/dbraw/zinc/91/51/80/876915180.db2.gz MDFOGBAEASZDSQ-YVEFUNNKSA-N 1 1 384.354 3.704 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000746653127 877207988 /nfs/dbraw/zinc/20/79/88/877207988.db2.gz BWLDEERCALAEOP-UHFFFAOYSA-N 1 1 389.883 3.965 20 5 GHBDMO Cc1c(COC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cccc1[N+](=O)[O-] ZINC000787223870 877275721 /nfs/dbraw/zinc/27/57/21/877275721.db2.gz XFGNEEFXAQDCFJ-UHFFFAOYSA-N 1 1 388.330 3.779 20 5 GHBDMO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610045721 877326962 /nfs/dbraw/zinc/32/69/62/877326962.db2.gz LRBWHCXTQFSKRH-HXUWFJFHSA-N 1 1 381.476 3.653 20 5 GHBDMO C[NH+](C)[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000610090791 877386221 /nfs/dbraw/zinc/38/62/21/877386221.db2.gz VEKXEFVNZUEGMP-IBGZPJMESA-N 1 1 389.883 3.990 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000492725713 877425304 /nfs/dbraw/zinc/42/53/04/877425304.db2.gz YCDJYUYRXXNRAL-UHFFFAOYSA-N 1 1 389.496 3.654 20 5 GHBDMO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)cc1F ZINC000179623680 877760272 /nfs/dbraw/zinc/76/02/72/877760272.db2.gz OISABVXWICVFAU-HNNXBMFYSA-N 1 1 379.363 3.561 20 5 GHBDMO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1F ZINC000179621387 877779886 /nfs/dbraw/zinc/77/98/86/877779886.db2.gz MZOIBXPOLQUHJD-QGZVFWFLSA-N 1 1 375.375 3.503 20 5 GHBDMO Cc1noc(C[N@@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000851741066 877889962 /nfs/dbraw/zinc/88/99/62/877889962.db2.gz AEQNEBWVGSQNED-HUUCEWRRSA-N 1 1 394.472 3.503 20 5 GHBDMO Cc1noc(C[N@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000851741066 877889977 /nfs/dbraw/zinc/88/99/77/877889977.db2.gz AEQNEBWVGSQNED-HUUCEWRRSA-N 1 1 394.472 3.503 20 5 GHBDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000530495154 877904995 /nfs/dbraw/zinc/90/49/95/877904995.db2.gz DWJJUJSNFPRTMT-KRWDZBQOSA-N 1 1 395.253 3.964 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000530554938 878051422 /nfs/dbraw/zinc/05/14/22/878051422.db2.gz BXAWPZDKAHAPIT-XIRDDKMYSA-N 1 1 376.453 3.547 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCc2ccccc2C1 ZINC000451543777 878111033 /nfs/dbraw/zinc/11/10/33/878111033.db2.gz CSBIHXAXQTUQFT-HXUWFJFHSA-N 1 1 393.487 3.749 20 5 GHBDMO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546760 878120411 /nfs/dbraw/zinc/12/04/11/878120411.db2.gz JSQLKFYMDPUGHH-PBHICJAKSA-N 1 1 379.420 3.980 20 5 GHBDMO O=C(N1CCC[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000852473115 878350517 /nfs/dbraw/zinc/35/05/17/878350517.db2.gz JFUFMDIOJTTYKK-NVXWUHKLSA-N 1 1 399.413 3.750 20 5 GHBDMO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H]2COCC2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000451809743 878498736 /nfs/dbraw/zinc/49/87/36/878498736.db2.gz NLJQSZHDILEYGN-RTBURBONSA-N 1 1 383.448 3.598 20 5 GHBDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C2 ZINC000285630295 912369513 /nfs/dbraw/zinc/36/95/13/912369513.db2.gz YPEKKHHOZKBYTG-UHFFFAOYSA-N 1 1 386.395 3.596 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789595031 879101625 /nfs/dbraw/zinc/10/16/25/879101625.db2.gz QLJZEKUTQIFALU-YULVEUEDSA-N 1 1 379.460 3.731 20 5 GHBDMO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+](CC1CC1)C1CCCCC1 ZINC000068878698 879142613 /nfs/dbraw/zinc/14/26/13/879142613.db2.gz ODHWWTIJDSAEDA-UHFFFAOYSA-N 1 1 382.464 3.821 20 5 GHBDMO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000068878698 879142618 /nfs/dbraw/zinc/14/26/18/879142618.db2.gz ODHWWTIJDSAEDA-UHFFFAOYSA-N 1 1 382.464 3.821 20 5 GHBDMO C[N@@H+](C[C@H]1CCc2ccccc21)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853609764 879163271 /nfs/dbraw/zinc/16/32/71/879163271.db2.gz MGZJACMEBYACLP-NQIIRXRSSA-N 1 1 379.460 3.530 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000493385257 879409455 /nfs/dbraw/zinc/40/94/55/879409455.db2.gz MBAPGNHEDNSXCU-UHFFFAOYSA-N 1 1 387.346 3.982 20 5 GHBDMO CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000531302127 879548765 /nfs/dbraw/zinc/54/87/65/879548765.db2.gz PVTLVJWSMPKCQZ-SFHVURJKSA-N 1 1 392.459 3.813 20 5 GHBDMO COc1cc(C)cc(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c1 ZINC000493735640 879625209 /nfs/dbraw/zinc/62/52/09/879625209.db2.gz LCJBHZYHLPVBDW-UHFFFAOYSA-N 1 1 396.390 3.854 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000538552270 879702335 /nfs/dbraw/zinc/70/23/35/879702335.db2.gz UKNVQHPQQJMUTD-QRWLVFNGSA-N 1 1 382.464 3.526 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000855735212 880706538 /nfs/dbraw/zinc/70/65/38/880706538.db2.gz OZOLTJCRXZXUME-KRWDZBQOSA-N 1 1 387.867 3.637 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000855735025 880706780 /nfs/dbraw/zinc/70/67/80/880706780.db2.gz LBHVIBDHYDIHTP-KRWDZBQOSA-N 1 1 387.867 3.637 20 5 GHBDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001170160755 880777574 /nfs/dbraw/zinc/77/75/74/880777574.db2.gz IQALTGRZKQHESZ-JXFKEZNVSA-N 1 1 379.460 3.957 20 5 GHBDMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000792187021 880976728 /nfs/dbraw/zinc/97/67/28/880976728.db2.gz KVBKPRJGVXQCTM-OAQYLSRUSA-N 1 1 380.448 3.547 20 5 GHBDMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000792189181 880977530 /nfs/dbraw/zinc/97/75/30/880977530.db2.gz RBRYJUWHWJJAOJ-JOCHJYFZSA-N 1 1 394.475 3.855 20 5 GHBDMO CNc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000520348043 881011317 /nfs/dbraw/zinc/01/13/17/881011317.db2.gz FGXTULOTJFTBMF-YQQQUEKLSA-N 1 1 394.475 3.562 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1Br)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000792457055 881109492 /nfs/dbraw/zinc/10/94/92/881109492.db2.gz FBLLRCSZFIQXMW-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1ccc(F)cc1Br)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000792457055 881109496 /nfs/dbraw/zinc/10/94/96/881109496.db2.gz FBLLRCSZFIQXMW-INIZCTEOSA-N 1 1 383.217 3.662 20 5 GHBDMO Cc1c(C[N@H+](CCO)Cc2cc(Br)cs2)cccc1[N+](=O)[O-] ZINC000494252873 881331256 /nfs/dbraw/zinc/33/12/56/881331256.db2.gz BXFMELBBZGHMIZ-UHFFFAOYSA-N 1 1 385.283 3.722 20 5 GHBDMO Cc1c(C[N@@H+](CCO)Cc2cc(Br)cs2)cccc1[N+](=O)[O-] ZINC000494252873 881331291 /nfs/dbraw/zinc/33/12/91/881331291.db2.gz BXFMELBBZGHMIZ-UHFFFAOYSA-N 1 1 385.283 3.722 20 5 GHBDMO Cc1cccc(NC(=O)NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000064350164 883162911 /nfs/dbraw/zinc/16/29/11/883162911.db2.gz CVEFEHQPBCXLLH-UHFFFAOYSA-N 1 1 398.463 3.770 20 5 GHBDMO Cc1cccc(NC(=O)NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000064350164 883162916 /nfs/dbraw/zinc/16/29/16/883162916.db2.gz CVEFEHQPBCXLLH-UHFFFAOYSA-N 1 1 398.463 3.770 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1Cl ZINC000175025684 883189393 /nfs/dbraw/zinc/18/93/93/883189393.db2.gz LNIGFHJTGXENGU-HNNXBMFYSA-N 1 1 382.247 3.934 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000609495181 883258958 /nfs/dbraw/zinc/25/89/58/883258958.db2.gz LAVHCJKDESWILU-UHFFFAOYSA-N 1 1 395.381 3.944 20 5 GHBDMO CC[C@H]1c2ccccc2CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000609767194 883623739 /nfs/dbraw/zinc/62/37/39/883623739.db2.gz HXDUZXMXGPGKDY-SFHVURJKSA-N 1 1 381.432 3.902 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000609792430 883686621 /nfs/dbraw/zinc/68/66/21/883686621.db2.gz NVOAFYATWGVZSD-KRWDZBQOSA-N 1 1 387.867 3.572 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000859501436 883855690 /nfs/dbraw/zinc/85/56/90/883855690.db2.gz ACSZVVHLSRZYEI-CZUORRHYSA-N 1 1 397.309 3.527 20 5 GHBDMO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 ZINC000859632229 883958995 /nfs/dbraw/zinc/95/89/95/883958995.db2.gz GEBVEZMNSQZTJK-NSHDSACASA-N 1 1 393.827 3.555 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000805792426 884074925 /nfs/dbraw/zinc/07/49/25/884074925.db2.gz DMFGQODNWLWDNR-NRFANRHFSA-N 1 1 389.496 3.860 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000805794968 884083073 /nfs/dbraw/zinc/08/30/73/884083073.db2.gz CSQNUHJONBWNJZ-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000805794968 884083083 /nfs/dbraw/zinc/08/30/83/884083083.db2.gz CSQNUHJONBWNJZ-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000805795299 884084283 /nfs/dbraw/zinc/08/42/83/884084283.db2.gz KUDZMRQYGKWABQ-SFHVURJKSA-N 1 1 381.498 3.879 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000805795299 884084303 /nfs/dbraw/zinc/08/43/03/884084303.db2.gz KUDZMRQYGKWABQ-SFHVURJKSA-N 1 1 381.498 3.879 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747311291 884535346 /nfs/dbraw/zinc/53/53/46/884535346.db2.gz KYUQOKSKWFLBGE-JOCHJYFZSA-N 1 1 397.450 3.862 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cnc3n2CCOC3)ccc1Oc1ccc(F)cc1 ZINC000898272544 884690454 /nfs/dbraw/zinc/69/04/54/884690454.db2.gz XYDWRHKFGAHVMQ-UHFFFAOYSA-N 1 1 398.394 3.543 20 5 GHBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000914776495 884763560 /nfs/dbraw/zinc/76/35/60/884763560.db2.gz RXNJQIDWAOZMQD-ZIAGYGMSSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000914776493 884764125 /nfs/dbraw/zinc/76/41/25/884764125.db2.gz RXNJQIDWAOZMQD-KBPBESRZSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237703405 884818435 /nfs/dbraw/zinc/81/84/35/884818435.db2.gz GGVGITNQTXTQEL-IRXDYDNUSA-N 1 1 399.539 3.841 20 5 GHBDMO CCOc1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4C)nc3)no2)cc1[N+](=O)[O-] ZINC000761916803 884975518 /nfs/dbraw/zinc/97/55/18/884975518.db2.gz APKDUQFTDKCYAB-UHFFFAOYSA-N 1 1 392.375 3.600 20 5 GHBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001126709106 885284173 /nfs/dbraw/zinc/28/41/73/885284173.db2.gz SLPOYSGRUZHGHZ-JOCHJYFZSA-N 1 1 397.450 3.862 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC(Nc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000777212000 885737655 /nfs/dbraw/zinc/73/76/55/885737655.db2.gz ASHPCWLHZCMWLJ-UHFFFAOYSA-N 1 1 396.491 3.508 20 5 GHBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000808049234 885994261 /nfs/dbraw/zinc/99/42/61/885994261.db2.gz JSTOOINHRNRIPE-LJQANCHMSA-N 1 1 383.448 3.500 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(NC[C@H](c3ccccc3)[NH+]3CCOCC3)ccc2c1 ZINC000301073335 886423933 /nfs/dbraw/zinc/42/39/33/886423933.db2.gz DTGHWYHCBLJRDM-HXUWFJFHSA-N 1 1 378.432 3.628 20 5 GHBDMO C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000556870353 886424294 /nfs/dbraw/zinc/42/42/94/886424294.db2.gz NAPHJSKDPAGYPI-UWJYYQICSA-N 1 1 393.491 3.528 20 5 GHBDMO O=C1OC[C@H]2C[N@H+](Cc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C[C@@H]12 ZINC000862545464 886458839 /nfs/dbraw/zinc/45/88/39/886458839.db2.gz TYQLBENQUCJWTA-CZUORRHYSA-N 1 1 388.807 3.645 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000032446525 886545039 /nfs/dbraw/zinc/54/50/39/886545039.db2.gz ILRBDAZPAWLHNH-LJQANCHMSA-N 1 1 397.475 3.560 20 5 GHBDMO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000762632742 886574881 /nfs/dbraw/zinc/57/48/81/886574881.db2.gz JAXOJTFXVANWCI-ZBEGNZNMSA-N 1 1 388.811 3.682 20 5 GHBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000443954423 887131077 /nfs/dbraw/zinc/13/10/77/887131077.db2.gz BLQAWVPTUBHVFK-QGZVFWFLSA-N 1 1 393.447 3.686 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cnn(C)c2)cc1OC ZINC000542574731 887188581 /nfs/dbraw/zinc/18/85/81/887188581.db2.gz UMWOVYFZJGXNNB-KBPBESRZSA-N 1 1 376.457 3.613 20 5 GHBDMO COc1ccccc1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272413055 887416273 /nfs/dbraw/zinc/41/62/73/887416273.db2.gz LCYDYFFQPTWITB-UHFFFAOYSA-N 1 1 382.363 3.546 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000153313703 887587972 /nfs/dbraw/zinc/58/79/72/887587972.db2.gz BQPLOVDDOYHCFO-OAHLLOKOSA-N 1 1 396.447 3.964 20 5 GHBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000809697288 887675984 /nfs/dbraw/zinc/67/59/84/887675984.db2.gz YTLSSKGSKGUWQO-QGZVFWFLSA-N 1 1 398.337 3.782 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]2C1 ZINC000796031646 913187019 /nfs/dbraw/zinc/18/70/19/913187019.db2.gz OITCGDACFPEADD-OKILXGFUSA-N 1 1 381.860 3.547 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]2C1 ZINC000796031646 913187025 /nfs/dbraw/zinc/18/70/25/913187025.db2.gz OITCGDACFPEADD-OKILXGFUSA-N 1 1 381.860 3.547 20 5 GHBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000809999596 888068580 /nfs/dbraw/zinc/06/85/80/888068580.db2.gz KWJLPRSSNFSGRP-OAHLLOKOSA-N 1 1 382.247 3.950 20 5 GHBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000809999596 888068597 /nfs/dbraw/zinc/06/85/97/888068597.db2.gz KWJLPRSSNFSGRP-OAHLLOKOSA-N 1 1 382.247 3.950 20 5 GHBDMO COc1c(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001132118646 888222974 /nfs/dbraw/zinc/22/29/74/888222974.db2.gz VCEZNFSFPYURPO-SFHVURJKSA-N 1 1 397.475 3.778 20 5 GHBDMO Cc1nn(C)c(NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000301122184 888673709 /nfs/dbraw/zinc/67/37/09/888673709.db2.gz XRAOGLKGUIHCPI-QGZVFWFLSA-N 1 1 397.504 3.910 20 5 GHBDMO Cc1nn(C)c(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000301122184 888673719 /nfs/dbraw/zinc/67/37/19/888673719.db2.gz XRAOGLKGUIHCPI-QGZVFWFLSA-N 1 1 397.504 3.910 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533021790 889527479 /nfs/dbraw/zinc/52/74/79/889527479.db2.gz CAUXNVZNDGKJEX-AWEZNQCLSA-N 1 1 391.431 3.587 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533021790 889527489 /nfs/dbraw/zinc/52/74/89/889527489.db2.gz CAUXNVZNDGKJEX-AWEZNQCLSA-N 1 1 391.431 3.587 20 5 GHBDMO O=C(CC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533022747 889528760 /nfs/dbraw/zinc/52/87/60/889528760.db2.gz ZQJNKRCUYYZDFL-UHFFFAOYSA-N 1 1 391.431 3.589 20 5 GHBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811514486 889708630 /nfs/dbraw/zinc/70/86/30/889708630.db2.gz LPOWMWDNVHOMDO-CQSZACIVSA-N 1 1 387.402 3.609 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000533251675 890097228 /nfs/dbraw/zinc/09/72/28/890097228.db2.gz KHPYPDORUPVBHT-GOSISDBHSA-N 1 1 397.475 3.948 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000533246332 890130897 /nfs/dbraw/zinc/13/08/97/890130897.db2.gz XFWKDTXFEFCJTK-SFHVURJKSA-N 1 1 394.431 3.861 20 5 GHBDMO C[C@@H]1c2c(F)cccc2CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533289621 890201343 /nfs/dbraw/zinc/20/13/43/890201343.db2.gz SEVOEOABUJMFSU-CYBMUJFWSA-N 1 1 385.395 3.651 20 5 GHBDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533289621 890201353 /nfs/dbraw/zinc/20/13/53/890201353.db2.gz SEVOEOABUJMFSU-CYBMUJFWSA-N 1 1 385.395 3.651 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000533311989 890227332 /nfs/dbraw/zinc/22/73/32/890227332.db2.gz UDQQKULVIVRKCE-ZDUSSCGKSA-N 1 1 390.440 3.760 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000533311989 890227351 /nfs/dbraw/zinc/22/73/51/890227351.db2.gz UDQQKULVIVRKCE-ZDUSSCGKSA-N 1 1 390.440 3.760 20 5 GHBDMO Cc1ccc(C[C@H]2CCC[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000747798092 890793249 /nfs/dbraw/zinc/79/32/49/890793249.db2.gz MDFMCSCSUYATKA-QGZVFWFLSA-N 1 1 381.432 3.723 20 5 GHBDMO Cc1ccc(C[C@H]2CCC[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000747798092 890793263 /nfs/dbraw/zinc/79/32/63/890793263.db2.gz MDFMCSCSUYATKA-QGZVFWFLSA-N 1 1 381.432 3.723 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000872261590 891220111 /nfs/dbraw/zinc/22/01/11/891220111.db2.gz HZXGPXLZSWUFTC-HXUWFJFHSA-N 1 1 384.480 3.919 20 5 GHBDMO Cc1cccc(C2(C(=O)O[C@H]3CC[N@H+](Cc4cccc([N+](=O)[O-])c4)C3)CC2)c1 ZINC000813170399 891330787 /nfs/dbraw/zinc/33/07/87/891330787.db2.gz DTSDREATHOBSJC-FQEVSTJZSA-N 1 1 380.444 3.753 20 5 GHBDMO Cc1cccc(C2(C(=O)O[C@H]3CC[N@@H+](Cc4cccc([N+](=O)[O-])c4)C3)CC2)c1 ZINC000813170399 891330805 /nfs/dbraw/zinc/33/08/05/891330805.db2.gz DTSDREATHOBSJC-FQEVSTJZSA-N 1 1 380.444 3.753 20 5 GHBDMO COc1ccc(C[C@@H](C)C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813172915 891332377 /nfs/dbraw/zinc/33/23/77/891332377.db2.gz PSRHNRQITXVMSD-IERDGZPVSA-N 1 1 398.459 3.600 20 5 GHBDMO COc1ccc(C[C@@H](C)C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813172915 891332394 /nfs/dbraw/zinc/33/23/94/891332394.db2.gz PSRHNRQITXVMSD-IERDGZPVSA-N 1 1 398.459 3.600 20 5 GHBDMO O=C(Cc1cccc(Cl)c1F)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171402 891332669 /nfs/dbraw/zinc/33/26/69/891332669.db2.gz KIFDCXFBYILZSQ-INIZCTEOSA-N 1 1 392.814 3.748 20 5 GHBDMO O=C(Cc1cccc(Cl)c1F)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171402 891332685 /nfs/dbraw/zinc/33/26/85/891332685.db2.gz KIFDCXFBYILZSQ-INIZCTEOSA-N 1 1 392.814 3.748 20 5 GHBDMO COc1cccc(NC2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000110037379 891580234 /nfs/dbraw/zinc/58/02/34/891580234.db2.gz RCOCPQXSNLAYKM-OAHLLOKOSA-N 1 1 398.463 3.507 20 5 GHBDMO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475992376 891907417 /nfs/dbraw/zinc/90/74/17/891907417.db2.gz VTFHGDNEDSYYBY-OAHLLOKOSA-N 1 1 383.448 3.605 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475992376 891907432 /nfs/dbraw/zinc/90/74/32/891907432.db2.gz VTFHGDNEDSYYBY-OAHLLOKOSA-N 1 1 383.448 3.605 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(Cc4ccccn4)CC3)o2)cc1 ZINC000121946106 891957138 /nfs/dbraw/zinc/95/71/38/891957138.db2.gz BPEQLAARNRZWGV-UHFFFAOYSA-N 1 1 378.432 3.568 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@H]3CCc3ccccc3)n2)cc1 ZINC000917479359 892043137 /nfs/dbraw/zinc/04/31/37/892043137.db2.gz ZWXNVHHYJMPSTE-IBGZPJMESA-N 1 1 377.448 3.908 20 5 GHBDMO COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000508677400 892257472 /nfs/dbraw/zinc/25/74/72/892257472.db2.gz HADCNGYTRYSQRU-JVCXIRSZSA-N 1 1 382.464 3.726 20 5 GHBDMO C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000497822405 892505806 /nfs/dbraw/zinc/50/58/06/892505806.db2.gz RSDMPVLUOMMZHE-MRVWCRGKSA-N 1 1 387.402 3.681 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000815084660 893431324 /nfs/dbraw/zinc/43/13/24/893431324.db2.gz VTVHKFMUYCRRLK-KRWDZBQOSA-N 1 1 384.329 3.846 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000815084660 893431328 /nfs/dbraw/zinc/43/13/28/893431328.db2.gz VTVHKFMUYCRRLK-KRWDZBQOSA-N 1 1 384.329 3.846 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934335512 893554730 /nfs/dbraw/zinc/55/47/30/893554730.db2.gz IRBUMQADYWCSRD-STQMWFEESA-N 1 1 385.449 3.727 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000815251885 893636285 /nfs/dbraw/zinc/63/62/85/893636285.db2.gz ZVVYCARXTABUBR-INIZCTEOSA-N 1 1 392.349 3.869 20 5 GHBDMO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000459514922 893671678 /nfs/dbraw/zinc/67/16/78/893671678.db2.gz MGDXBNWXYDYVJY-UHFFFAOYSA-N 1 1 386.481 3.523 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCC3)nc2c1 ZINC000459549881 893780175 /nfs/dbraw/zinc/78/01/75/893780175.db2.gz WWVQTIRCAKEOIJ-FQEVSTJZSA-N 1 1 380.448 3.855 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878162397 894062290 /nfs/dbraw/zinc/06/22/90/894062290.db2.gz DWPUYAVHJWWSSX-TZMCWYRMSA-N 1 1 393.875 3.603 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)o1 ZINC000878391552 894253112 /nfs/dbraw/zinc/25/31/12/894253112.db2.gz NQJJJZUVLYWRBJ-OAHLLOKOSA-N 1 1 380.404 3.546 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)o1 ZINC000878391552 894253128 /nfs/dbraw/zinc/25/31/28/894253128.db2.gz NQJJJZUVLYWRBJ-OAHLLOKOSA-N 1 1 380.404 3.546 20 5 GHBDMO C[C@@H](C[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1nccs1 ZINC000878407668 894265747 /nfs/dbraw/zinc/26/57/47/894265747.db2.gz XVAQQNLVUWRRIT-JTQLQIEISA-N 1 1 393.856 3.990 20 5 GHBDMO C[C@@H](C[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1nccs1 ZINC000878407668 894265763 /nfs/dbraw/zinc/26/57/63/894265763.db2.gz XVAQQNLVUWRRIT-JTQLQIEISA-N 1 1 393.856 3.990 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CO)CC2)cc1OC ZINC000563901498 894308103 /nfs/dbraw/zinc/30/81/03/894308103.db2.gz FQCKCZQZXZLJAZ-HZPDHXFCSA-N 1 1 380.485 3.623 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC001185429001 913857702 /nfs/dbraw/zinc/85/77/02/913857702.db2.gz GGOUWLVUXHDBHC-UHFFFAOYSA-N 1 1 386.839 3.902 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@H](c3ccncc3)C2)o1 ZINC000878629675 894466789 /nfs/dbraw/zinc/46/67/89/894466789.db2.gz HZDVHEMBCCSUNA-ZDUSSCGKSA-N 1 1 385.811 3.683 20 5 GHBDMO Cc1ccc2nc(C(=O)O[C@H]3CC[N@H+](Cc4cccc([N+](=O)[O-])c4)C3)ccc2c1 ZINC000816093012 894471784 /nfs/dbraw/zinc/47/17/84/894471784.db2.gz XSUKEZYYSXWEMQ-IBGZPJMESA-N 1 1 391.427 3.883 20 5 GHBDMO Cc1ccc2nc(C(=O)O[C@H]3CC[N@@H+](Cc4cccc([N+](=O)[O-])c4)C3)ccc2c1 ZINC000816093012 894471790 /nfs/dbraw/zinc/47/17/90/894471790.db2.gz XSUKEZYYSXWEMQ-IBGZPJMESA-N 1 1 391.427 3.883 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)c2ccccc2F)ccc1Br ZINC000830356295 895056184 /nfs/dbraw/zinc/05/61/84/895056184.db2.gz YNYMMMUPOTYSCX-OAHLLOKOSA-N 1 1 383.217 3.710 20 5 GHBDMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000565726539 895835845 /nfs/dbraw/zinc/83/58/45/895835845.db2.gz ZZPFPRYYFVVZGJ-GHTZIAJQSA-N 1 1 397.500 3.691 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc(C)cc([N+](=O)[O-])c3)C2)s1 ZINC000565737106 895840739 /nfs/dbraw/zinc/84/07/39/895840739.db2.gz KZCZLLNOZBVCCB-MRXNPFEDSA-N 1 1 387.505 3.867 20 5 GHBDMO C[C@@H]1C[C@H]([NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CO1 ZINC000565950513 896003857 /nfs/dbraw/zinc/00/38/57/896003857.db2.gz GEQUWRWRQKIMOG-UVBSCNOISA-N 1 1 389.839 3.695 20 5 GHBDMO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000566002658 896041884 /nfs/dbraw/zinc/04/18/84/896041884.db2.gz WFDIVGULQITJFI-IBGZPJMESA-N 1 1 383.448 3.576 20 5 GHBDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000566002658 896041897 /nfs/dbraw/zinc/04/18/97/896041897.db2.gz WFDIVGULQITJFI-IBGZPJMESA-N 1 1 383.448 3.576 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881306565 896284063 /nfs/dbraw/zinc/28/40/63/896284063.db2.gz LWBCNWSMSBPJMC-IBGZPJMESA-N 1 1 381.411 3.541 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000568540142 897920639 /nfs/dbraw/zinc/92/06/39/897920639.db2.gz CXCRDDLXFNHSPB-MRXNPFEDSA-N 1 1 375.513 3.889 20 5 GHBDMO Cc1cc(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc(N2CCCC2)[nH+]1 ZINC000568691640 898038708 /nfs/dbraw/zinc/03/87/08/898038708.db2.gz QDDCFVGMJKVVAA-UHFFFAOYSA-N 1 1 382.464 3.952 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000331805033 899178089 /nfs/dbraw/zinc/17/80/89/899178089.db2.gz MWICSNNDAWGVIN-LSDHHAIUSA-N 1 1 378.448 3.852 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823974376 899336758 /nfs/dbraw/zinc/33/67/58/899336758.db2.gz QWILVRGMWHESSP-OAHLLOKOSA-N 1 1 389.500 3.685 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1)[NH+]1CCOCC1 ZINC000156481854 899798781 /nfs/dbraw/zinc/79/87/81/899798781.db2.gz WONWPIZQXFRNLD-CYBMUJFWSA-N 1 1 389.839 3.894 20 5 GHBDMO C[C@@H](CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC001137209006 900019031 /nfs/dbraw/zinc/01/90/31/900019031.db2.gz RTDZQXNSOASUGV-HNNXBMFYSA-N 1 1 389.883 3.818 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000825215283 900031187 /nfs/dbraw/zinc/03/11/87/900031187.db2.gz KZRAFIAKGFECOJ-MGPUTAFESA-N 1 1 383.448 3.641 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135241936 900207292 /nfs/dbraw/zinc/20/72/92/900207292.db2.gz JNFNQXPJSRIMAM-UHFFFAOYSA-N 1 1 398.419 3.805 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001186316489 914468245 /nfs/dbraw/zinc/46/82/45/914468245.db2.gz VLRRFJBZIILXOJ-OAQYLSRUSA-N 1 1 383.448 3.706 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000158369643 901290778 /nfs/dbraw/zinc/29/07/78/901290778.db2.gz GZSXMHDAZWXQAI-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000047188321 901542673 /nfs/dbraw/zinc/54/26/73/901542673.db2.gz DQYRXZRQZITCFU-JKSUJKDBSA-N 1 1 379.526 3.704 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000778971963 902373541 /nfs/dbraw/zinc/37/35/41/902373541.db2.gz CYJSWGXWUAMPOO-JKSUJKDBSA-N 1 1 393.484 3.599 20 5 GHBDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171308676 903813637 /nfs/dbraw/zinc/81/36/37/903813637.db2.gz SIYLZCYHGQFTGU-QFIPXVFZSA-N 1 1 397.450 3.720 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000578474790 903879040 /nfs/dbraw/zinc/87/90/40/903879040.db2.gz FUMRXLFARNJHTG-KRWDZBQOSA-N 1 1 389.402 3.833 20 5 GHBDMO C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+]1CCCC[C@@H]1C ZINC000578951301 904248378 /nfs/dbraw/zinc/24/83/78/904248378.db2.gz NQLFXINWEATTAB-JKSUJKDBSA-N 1 1 377.488 3.674 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCC[C@H](C[C@H]4CCOC4)C3)c2c1 ZINC000773256429 904621015 /nfs/dbraw/zinc/62/10/15/904621015.db2.gz KMIJHYXAADPMPT-ZIAGYGMSSA-N 1 1 377.466 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CCC[C@H](C[C@H]4CCOC4)C3)c2c1 ZINC000773256429 904621024 /nfs/dbraw/zinc/62/10/24/904621024.db2.gz KMIJHYXAADPMPT-ZIAGYGMSSA-N 1 1 377.466 3.968 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC001171786130 905047542 /nfs/dbraw/zinc/04/75/42/905047542.db2.gz QFBUXVIHUJFEPB-YWZLYKJASA-N 1 1 393.459 3.861 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000801600701 921180071 /nfs/dbraw/zinc/18/00/71/921180071.db2.gz SYJGMDGDPUQJCQ-QGZVFWFLSA-N 1 1 397.244 3.704 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2c1cnn2CC ZINC001172905856 905931124 /nfs/dbraw/zinc/93/11/24/905931124.db2.gz VIORKGQGLKMQAO-RTBURBONSA-N 1 1 398.507 3.695 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2c1cnn2CC ZINC001172905856 905931137 /nfs/dbraw/zinc/93/11/37/905931137.db2.gz VIORKGQGLKMQAO-RTBURBONSA-N 1 1 398.507 3.695 20 5 GHBDMO O=C([C@@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)N1CCCCC1 ZINC001172910787 906018645 /nfs/dbraw/zinc/01/86/45/906018645.db2.gz ODBRKYNBODEWGC-WOJBJXKFSA-N 1 1 385.508 3.567 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](N3CCCCC3)[C@@H](F)C1)CC2 ZINC001172911917 906019994 /nfs/dbraw/zinc/01/99/94/906019994.db2.gz GVRYVTLSORUOPP-GIVPXCGWSA-N 1 1 375.488 3.741 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@H](N3CCCCC3)[C@@H](F)C1)CC2 ZINC001172911917 906020009 /nfs/dbraw/zinc/02/00/09/906020009.db2.gz GVRYVTLSORUOPP-GIVPXCGWSA-N 1 1 375.488 3.741 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@H](c4ccncc4)C3)CC2)c(F)c1 ZINC001173013375 906090513 /nfs/dbraw/zinc/09/05/13/906090513.db2.gz RKHSLUBFRTUTKY-HNNXBMFYSA-N 1 1 388.418 3.726 20 5 GHBDMO C[N@H+](CC(=O)c1ccccc1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015212 906091756 /nfs/dbraw/zinc/09/17/56/906091756.db2.gz MDYNBSYEGAXNLQ-UHFFFAOYSA-N 1 1 389.402 3.657 20 5 GHBDMO C[N@@H+](CC(=O)c1ccccc1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015212 906091771 /nfs/dbraw/zinc/09/17/71/906091771.db2.gz MDYNBSYEGAXNLQ-UHFFFAOYSA-N 1 1 389.402 3.657 20 5 GHBDMO Cc1ncccc1C[N@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173021196 906098386 /nfs/dbraw/zinc/09/83/86/906098386.db2.gz ZKWDRBVWNAWHNA-UHFFFAOYSA-N 1 1 376.407 3.677 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2cc(C(=O)C[NH3+])c3ccccc32)c1F ZINC001173189814 906270773 /nfs/dbraw/zinc/27/07/73/906270773.db2.gz RLZYJUMRPLRPLG-GFCCVEGCSA-N 1 1 385.395 3.642 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1F ZINC001173190961 906273488 /nfs/dbraw/zinc/27/34/88/906273488.db2.gz YMPIEJNZYWPTSJ-DNVCBOLYSA-N 1 1 387.455 3.662 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c1F ZINC001173192084 906275543 /nfs/dbraw/zinc/27/55/43/906275543.db2.gz HZYLEBOUPCUDLV-ZIAGYGMSSA-N 1 1 396.459 3.870 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2nn(CC3CC3)cc21 ZINC001173222713 906301360 /nfs/dbraw/zinc/30/13/60/906301360.db2.gz USFDZLUVNUEFLS-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2nn(CC3CC3)cc21 ZINC001173222713 906301377 /nfs/dbraw/zinc/30/13/77/906301377.db2.gz USFDZLUVNUEFLS-LPHOPBHVSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001173223159 906303667 /nfs/dbraw/zinc/30/36/67/906303667.db2.gz YVBBLTRNBSKRTM-HNNXBMFYSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001173225789 906309289 /nfs/dbraw/zinc/30/92/89/906309289.db2.gz OSHOTKNWGWUNAZ-ZLGUVYLKSA-N 1 1 379.460 3.796 20 5 GHBDMO CC(C)COC[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(C)c21 ZINC001173228126 906310403 /nfs/dbraw/zinc/31/04/03/906310403.db2.gz WXOTUNIBOMZVOJ-AEFFLSMTSA-N 1 1 386.496 3.531 20 5 GHBDMO CC(C)COC[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ncn(C)c21 ZINC001173228126 906310420 /nfs/dbraw/zinc/31/04/20/906310420.db2.gz WXOTUNIBOMZVOJ-AEFFLSMTSA-N 1 1 386.496 3.531 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001173234225 906320170 /nfs/dbraw/zinc/32/01/70/906320170.db2.gz PZCWIASSNYWWDE-WBVHZDCISA-N 1 1 377.485 3.905 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173238415 906350347 /nfs/dbraw/zinc/35/03/47/906350347.db2.gz RXHJNIZDLZGPHK-HNAYVOBHSA-N 1 1 389.496 4.000 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000365974959 921272643 /nfs/dbraw/zinc/27/26/43/921272643.db2.gz IYUVCKUIALBQBF-QZTJIDSGSA-N 1 1 395.459 3.530 20 5 GHBDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccncc1 ZINC000191904566 907312869 /nfs/dbraw/zinc/31/28/69/907312869.db2.gz ZVNWLBUFCJAMEV-NRFANRHFSA-N 1 1 395.415 3.818 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001175034545 907347168 /nfs/dbraw/zinc/34/71/68/907347168.db2.gz ABBLBJVUCYEMBS-QFIPXVFZSA-N 1 1 397.475 3.948 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001175044411 907353821 /nfs/dbraw/zinc/35/38/21/907353821.db2.gz GEODHVHEJPWWOH-BGYRXZFFSA-N 1 1 375.469 3.674 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001175268919 907480019 /nfs/dbraw/zinc/48/00/19/907480019.db2.gz VERWOXFEQYCPBA-INIZCTEOSA-N 1 1 393.484 3.873 20 5 GHBDMO COc1ccc(C[N@H+]2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001175268919 907480024 /nfs/dbraw/zinc/48/00/24/907480024.db2.gz VERWOXFEQYCPBA-INIZCTEOSA-N 1 1 393.484 3.873 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](C(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC001175883457 907790849 /nfs/dbraw/zinc/79/08/49/907790849.db2.gz VEWHSBOGUZASSD-XLIONFOSSA-N 1 1 397.475 3.676 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001176217521 907990960 /nfs/dbraw/zinc/99/09/60/907990960.db2.gz HJDZGFXZYZTGLA-HNNXBMFYSA-N 1 1 388.493 3.643 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001176410540 908104812 /nfs/dbraw/zinc/10/48/12/908104812.db2.gz ALEOZWISJHXCFC-HIFRSBDPSA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001176410540 908104817 /nfs/dbraw/zinc/10/48/17/908104817.db2.gz ALEOZWISJHXCFC-HIFRSBDPSA-N 1 1 395.887 3.714 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC001176849853 908293993 /nfs/dbraw/zinc/29/39/93/908293993.db2.gz RNLQXDCXZFYENA-FQEVSTJZSA-N 1 1 391.468 3.579 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC001176849853 908294010 /nfs/dbraw/zinc/29/40/10/908294010.db2.gz RNLQXDCXZFYENA-FQEVSTJZSA-N 1 1 391.468 3.579 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@]2(CO)c2ccccc2)c1 ZINC001176958050 908326782 /nfs/dbraw/zinc/32/67/82/908326782.db2.gz FHVJTXKFGUMZNV-SFHVURJKSA-N 1 1 391.265 3.841 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@]2(CO)c2ccccc2)c1 ZINC001176958050 908326798 /nfs/dbraw/zinc/32/67/98/908326798.db2.gz FHVJTXKFGUMZNV-SFHVURJKSA-N 1 1 391.265 3.841 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000194228840 908869169 /nfs/dbraw/zinc/86/91/69/908869169.db2.gz JIYPRMAKWXMLCO-PKOBYXMFSA-N 1 1 396.491 3.786 20 5 GHBDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000245499684 909678451 /nfs/dbraw/zinc/67/84/51/909678451.db2.gz YQKKWMPOTKHRDL-FMKPAKJESA-N 1 1 394.903 3.522 20 5 GHBDMO CC[C@H](C)C[N@@H+](CC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795441475 910326210 /nfs/dbraw/zinc/32/62/10/910326210.db2.gz YYRZHRDQMMLYLZ-NSHDSACASA-N 1 1 384.274 3.639 20 5 GHBDMO CC[C@@H](C)C[N@@H+](CC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795441473 910326984 /nfs/dbraw/zinc/32/69/84/910326984.db2.gz YYRZHRDQMMLYLZ-LLVKDONJSA-N 1 1 384.274 3.639 20 5 GHBDMO CC(C)[C@H]1CCC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795445907 910337998 /nfs/dbraw/zinc/33/79/98/910337998.db2.gz FGHKHWLBQWRJID-LBPRGKRZSA-N 1 1 396.285 3.639 20 5 GHBDMO CC(C)[C@H]1CCC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795445907 910338007 /nfs/dbraw/zinc/33/80/07/910338007.db2.gz FGHKHWLBQWRJID-LBPRGKRZSA-N 1 1 396.285 3.639 20 5 GHBDMO CCOc1cc(N2CC[NH+](CCc3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC001181390493 910754743 /nfs/dbraw/zinc/75/47/43/910754743.db2.gz BRYLLNNZNBZAQJ-UHFFFAOYSA-N 1 1 391.418 3.636 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000271208930 910819438 /nfs/dbraw/zinc/81/94/38/910819438.db2.gz TUOOYNYZTMZGGJ-GOSISDBHSA-N 1 1 389.477 3.946 20 5 GHBDMO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273859592 911064092 /nfs/dbraw/zinc/06/40/92/911064092.db2.gz IRJHOTWYCRJQBK-HUUCEWRRSA-N 1 1 391.487 3.781 20 5 GHBDMO CC(=O)NC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000092670000 911698855 /nfs/dbraw/zinc/69/88/55/911698855.db2.gz AHUXFJWLNFRKNM-UHFFFAOYSA-N 1 1 387.411 3.627 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000774516265 911843862 /nfs/dbraw/zinc/84/38/62/911843862.db2.gz HZZOJNWNHAJVKQ-YJBOKZPZSA-N 1 1 394.475 3.734 20 5 GHBDMO CCOC(=O)c1ccnc(NCCC[N@@H+](CC)C2CCCCC2)c1[N+](=O)[O-] ZINC001186931355 914879075 /nfs/dbraw/zinc/87/90/75/914879075.db2.gz UHGRYFIYCYJFIS-UHFFFAOYSA-N 1 1 378.473 3.623 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000802010151 921753317 /nfs/dbraw/zinc/75/33/17/921753317.db2.gz CIFPTLRDVHUTCF-FQEVSTJZSA-N 1 1 375.469 3.818 20 5 GHBDMO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000294049128 916553103 /nfs/dbraw/zinc/55/31/03/916553103.db2.gz WXZOOMSJQICZTK-AWEZNQCLSA-N 1 1 394.518 3.580 20 5 GHBDMO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000294049128 916553112 /nfs/dbraw/zinc/55/31/12/916553112.db2.gz WXZOOMSJQICZTK-AWEZNQCLSA-N 1 1 394.518 3.580 20 5 GHBDMO COc1cc(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c([N+](=O)[O-])cc1F ZINC000294476258 916822384 /nfs/dbraw/zinc/82/23/84/916822384.db2.gz DCVIYBUNJZZOBQ-UHFFFAOYSA-N 1 1 389.427 3.513 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001191084555 917773977 /nfs/dbraw/zinc/77/39/77/917773977.db2.gz AUVSSHSSTDBBDC-WFASDCNBSA-N 1 1 386.233 3.964 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001191084555 917773983 /nfs/dbraw/zinc/77/39/83/917773983.db2.gz AUVSSHSSTDBBDC-WFASDCNBSA-N 1 1 386.233 3.964 20 5 GHBDMO O=[N+]([O-])c1cccnc1NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000363104939 917779807 /nfs/dbraw/zinc/77/98/07/917779807.db2.gz RODMYJJXOXOOCH-UHFFFAOYSA-N 1 1 379.420 3.721 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001191519642 918040058 /nfs/dbraw/zinc/04/00/58/918040058.db2.gz ADGASMHHUTWMLZ-REWPJTCUSA-N 1 1 395.503 3.960 20 5 GHBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1(CC)CC ZINC001191821401 918245668 /nfs/dbraw/zinc/24/56/68/918245668.db2.gz MNMWQAJRUULVQA-ROUUACIJSA-N 1 1 378.469 3.797 20 5 GHBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000803536091 923074539 /nfs/dbraw/zinc/07/45/39/923074539.db2.gz IBNYRNRXYOIFFH-HHMVEJHFSA-N 1 1 391.471 3.733 20 5 GHBDMO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000370236901 923977840 /nfs/dbraw/zinc/97/78/40/923977840.db2.gz RZZZGLXMBSCBCZ-FQEVSTJZSA-N 1 1 392.415 3.684 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)o2)cc1 ZINC000371549516 924658007 /nfs/dbraw/zinc/65/80/07/924658007.db2.gz AFUZNXQKWJCVGM-LPHOPBHVSA-N 1 1 380.404 3.512 20 5 GHBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000373230836 925954290 /nfs/dbraw/zinc/95/42/90/925954290.db2.gz RFJAZYKNVYQSQK-OAHLLOKOSA-N 1 1 383.477 3.831 20 5 GHBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000411391086 926355366 /nfs/dbraw/zinc/35/53/66/926355366.db2.gz YZSVYIHFSPPLEU-MRXNPFEDSA-N 1 1 388.493 3.952 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)C(C)C ZINC000726054033 926539711 /nfs/dbraw/zinc/53/97/11/926539711.db2.gz QIUKAHDLJLDSST-UHFFFAOYSA-N 1 1 399.447 3.621 20 5 GHBDMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(C)C ZINC000751942566 928498645 /nfs/dbraw/zinc/49/86/45/928498645.db2.gz KKTOXRIACSJZPV-IRXDYDNUSA-N 1 1 375.473 3.521 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000467042795 928631184 /nfs/dbraw/zinc/63/11/84/928631184.db2.gz CKOYUGOUQJTWDF-QFBILLFUSA-N 1 1 381.476 3.652 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000544117272 928826987 /nfs/dbraw/zinc/82/69/87/928826987.db2.gz NJFYALRWPTXTDY-FOIQADDNSA-N 1 1 395.459 3.576 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000544191708 928914493 /nfs/dbraw/zinc/91/44/93/928914493.db2.gz QHTGQAOGIIYIMQ-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000544625929 929360885 /nfs/dbraw/zinc/36/08/85/929360885.db2.gz KHIIOXAEVVTBRU-ZBFHGGJFSA-N 1 1 386.427 3.909 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1Cc1ccccc1 ZINC000544768038 929558974 /nfs/dbraw/zinc/55/89/74/929558974.db2.gz UFWHHHZGCPHRCW-QGZVFWFLSA-N 1 1 392.459 3.813 20 5 GHBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[N@H+]1Cc1ccccc1 ZINC000757784424 929798206 /nfs/dbraw/zinc/79/82/06/929798206.db2.gz BKPVPUCPABNRKB-CRAIPNDOSA-N 1 1 394.475 3.562 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000758781883 930165680 /nfs/dbraw/zinc/16/56/80/930165680.db2.gz YGGWFQWAMZZSLV-HUUCEWRRSA-N 1 1 393.484 3.729 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccccc1OC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174365 930430547 /nfs/dbraw/zinc/43/05/47/930430547.db2.gz SITUIIYCVDOQMX-FOWTUZBSSA-N 1 1 383.448 3.967 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccccc1OC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174365 930430550 /nfs/dbraw/zinc/43/05/50/930430550.db2.gz SITUIIYCVDOQMX-FOWTUZBSSA-N 1 1 383.448 3.967 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782488933 931240355 /nfs/dbraw/zinc/24/03/55/931240355.db2.gz KOVBLNVZKGCNOG-CQSZACIVSA-N 1 1 375.375 3.691 20 5 GHBDMO Cc1ccc([C@H]2CC[N@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C2)cc1 ZINC000784023729 931758598 /nfs/dbraw/zinc/75/85/98/931758598.db2.gz RZGUYMMMSJHMBN-SFHVURJKSA-N 1 1 380.448 3.592 20 5 GHBDMO Cc1ccc([C@H]2CC[N@@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C2)cc1 ZINC000784023729 931758606 /nfs/dbraw/zinc/75/86/06/931758606.db2.gz RZGUYMMMSJHMBN-SFHVURJKSA-N 1 1 380.448 3.592 20 5 GHBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2)C1 ZINC000558032882 931808730 /nfs/dbraw/zinc/80/87/30/931808730.db2.gz KDAMEHVGEWNSTB-OAQYLSRUSA-N 1 1 397.500 3.914 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000558061761 931821799 /nfs/dbraw/zinc/82/17/99/931821799.db2.gz HXTDGQXFBWSKQS-LJQANCHMSA-N 1 1 399.447 3.560 20 5 GHBDMO C/C(=C/C(=O)O[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784868017 932016021 /nfs/dbraw/zinc/01/60/21/932016021.db2.gz VVVNUXYZFVZPNY-KWRJMZDGSA-N 1 1 396.447 3.617 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000797337708 932253834 /nfs/dbraw/zinc/25/38/34/932253834.db2.gz LDSHQOTZGQVGIB-HXUWFJFHSA-N 1 1 382.460 3.981 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000799155723 932890838 /nfs/dbraw/zinc/89/08/38/932890838.db2.gz JVUBEPNLUJJAAN-VFAJRCTISA-N 1 1 392.887 3.817 20 5 GHBDMO COc1ccccc1N1CC[C@@H]([N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1=O ZINC000560018695 933021792 /nfs/dbraw/zinc/02/17/92/933021792.db2.gz WMRSLBAOKQMCJG-LJQANCHMSA-N 1 1 383.448 3.619 20 5 GHBDMO COc1ccccc1N1CC[C@@H]([N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1=O ZINC000560018695 933021797 /nfs/dbraw/zinc/02/17/97/933021797.db2.gz WMRSLBAOKQMCJG-LJQANCHMSA-N 1 1 383.448 3.619 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCC1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000560536019 933320362 /nfs/dbraw/zinc/32/03/62/933320362.db2.gz KWYJWGSKUCTXPH-OAQYLSRUSA-N 1 1 376.460 3.812 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560542740 933329650 /nfs/dbraw/zinc/32/96/50/933329650.db2.gz GHFNCWKLJVWSRL-VQTJNVASSA-N 1 1 385.512 3.518 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000560545379 933330748 /nfs/dbraw/zinc/33/07/48/933330748.db2.gz LZYIWIYFRROMRX-HXUWFJFHSA-N 1 1 376.416 3.996 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001116326040 933482834 /nfs/dbraw/zinc/48/28/34/933482834.db2.gz MSRYWTZSNLRRRC-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC001116375070 933517823 /nfs/dbraw/zinc/51/78/23/933517823.db2.gz STEGFTJOQHCALZ-IRXDYDNUSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC001116375070 933517825 /nfs/dbraw/zinc/51/78/25/933517825.db2.gz STEGFTJOQHCALZ-IRXDYDNUSA-N 1 1 377.803 3.563 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001116448403 933565522 /nfs/dbraw/zinc/56/55/22/933565522.db2.gz UYEYWYVQTFYLDE-PXNSSMCTSA-N 1 1 385.439 3.834 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001116448403 933565537 /nfs/dbraw/zinc/56/55/37/933565537.db2.gz UYEYWYVQTFYLDE-PXNSSMCTSA-N 1 1 385.439 3.834 20 5 GHBDMO O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116545678 933624895 /nfs/dbraw/zinc/62/48/95/933624895.db2.gz KETCVGCVYAWRAF-INIZCTEOSA-N 1 1 394.475 3.944 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1 ZINC001116613711 933666052 /nfs/dbraw/zinc/66/60/52/933666052.db2.gz IYLHKHSBHOXTFA-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO C[NH+]1CCC(N2CCC(Nc3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000561156021 933923058 /nfs/dbraw/zinc/92/30/58/933923058.db2.gz PRKIRWNMEFFBGN-UHFFFAOYSA-N 1 1 387.311 3.872 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000561316078 934046246 /nfs/dbraw/zinc/04/62/46/934046246.db2.gz WEXCSBIFWMYBFM-HXUWFJFHSA-N 1 1 376.416 3.996 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@H]1CC[C@H](O)CC1 ZINC000930811200 934255329 /nfs/dbraw/zinc/25/53/29/934255329.db2.gz VFBJRHFNRYDJDL-FIIAMQOCSA-N 1 1 380.435 3.992 20 5 GHBDMO CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000561959026 934585792 /nfs/dbraw/zinc/58/57/92/934585792.db2.gz WKBZDUOHCVBFJM-GOSISDBHSA-N 1 1 383.448 3.576 20 5 GHBDMO CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000561959026 934585795 /nfs/dbraw/zinc/58/57/95/934585795.db2.gz WKBZDUOHCVBFJM-GOSISDBHSA-N 1 1 383.448 3.576 20 5 GHBDMO CC[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000562176908 934745836 /nfs/dbraw/zinc/74/58/36/934745836.db2.gz ZXUCAOCRNTTZNM-HXUWFJFHSA-N 1 1 381.476 3.996 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@]4(CC(F)(F)C4(F)F)C3)n2)cc1 ZINC000931916931 934764553 /nfs/dbraw/zinc/76/45/53/934764553.db2.gz CVIOEJLYXAKZFD-AWEZNQCLSA-N 1 1 386.305 3.511 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@]4(CC(F)(F)C4(F)F)C3)n2)cc1 ZINC000931916931 934764559 /nfs/dbraw/zinc/76/45/59/934764559.db2.gz CVIOEJLYXAKZFD-AWEZNQCLSA-N 1 1 386.305 3.511 20 5 GHBDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000468144541 1015327910 /nfs/dbraw/zinc/32/79/10/1015327910.db2.gz NHQOAJFSODBSHZ-UHFFFAOYSA-N 1 1 385.464 3.633 20 5 GHBDMO COc1cc(C[N@@H+](C)CC2(O)CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000545548706 1016022170 /nfs/dbraw/zinc/02/21/70/1016022170.db2.gz ZXEMYOZDRRASRI-UHFFFAOYSA-N 1 1 386.448 3.529 20 5 GHBDMO CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546893576 1016763041 /nfs/dbraw/zinc/76/30/41/1016763041.db2.gz WTEFCHWINKZQMH-LPHOPBHVSA-N 1 1 399.466 3.960 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227109067 1032273977 /nfs/dbraw/zinc/27/39/77/1032273977.db2.gz RCLPVTDPPOVFPN-QGZVFWFLSA-N 1 1 386.408 3.578 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001227124963 1032279670 /nfs/dbraw/zinc/27/96/70/1032279670.db2.gz URNSABZSBVTZGL-HNNXBMFYSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001227124963 1032279682 /nfs/dbraw/zinc/27/96/82/1032279682.db2.gz URNSABZSBVTZGL-HNNXBMFYSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c([N+](=O)[O-])c1 ZINC001227299408 1032361005 /nfs/dbraw/zinc/36/10/05/1032361005.db2.gz ZICLHLWSXXEZEV-WSTZPKSXSA-N 1 1 396.443 3.671 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001227298552 1032361561 /nfs/dbraw/zinc/36/15/61/1032361561.db2.gz SJBBLNCMPQRBLW-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001227298552 1032361568 /nfs/dbraw/zinc/36/15/68/1032361568.db2.gz SJBBLNCMPQRBLW-INIZCTEOSA-N 1 1 390.823 3.688 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001221794818 1032538576 /nfs/dbraw/zinc/53/85/76/1032538576.db2.gz YBNUYSXMQTXLAP-IBGZPJMESA-N 1 1 388.512 3.923 20 5 GHBDMO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000560083658 1017542358 /nfs/dbraw/zinc/54/23/58/1017542358.db2.gz OTISOTZYXVTYQY-GOSISDBHSA-N 1 1 381.476 3.653 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001156317341 1032980622 /nfs/dbraw/zinc/98/06/22/1032980622.db2.gz LRIYNXMINOCYOF-FFZOFVMBSA-N 1 1 389.459 3.861 20 5 GHBDMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000754702181 1022841440 /nfs/dbraw/zinc/84/14/40/1022841440.db2.gz FSVIHOSDAFCWJS-LLVKDONJSA-N 1 1 386.433 3.502 20 5 GHBDMO CCOc1cc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000755067673 1023056541 /nfs/dbraw/zinc/05/65/41/1023056541.db2.gz QLGSGGQMBLAGAE-ZBFHGGJFSA-N 1 1 393.484 3.729 20 5 GHBDMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001156566467 1033105871 /nfs/dbraw/zinc/10/58/71/1033105871.db2.gz HIGFLEUBAHSHAL-INIZCTEOSA-N 1 1 385.489 3.960 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839157953 1025662360 /nfs/dbraw/zinc/66/23/60/1025662360.db2.gz SIZUEUCCQWHFSN-HXUWFJFHSA-N 1 1 392.402 3.827 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1Br ZINC000839190821 1025711776 /nfs/dbraw/zinc/71/17/76/1025711776.db2.gz DGAOWEFVJLZJDF-WMLDXEAASA-N 1 1 383.286 3.730 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1Br ZINC000839190821 1025711791 /nfs/dbraw/zinc/71/17/91/1025711791.db2.gz DGAOWEFVJLZJDF-WMLDXEAASA-N 1 1 383.286 3.730 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001162314414 1025712057 /nfs/dbraw/zinc/71/20/57/1025712057.db2.gz UQZYXNJSCBUSCX-OAHLLOKOSA-N 1 1 387.440 3.540 20 5 GHBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001162800422 1025920800 /nfs/dbraw/zinc/92/08/00/1025920800.db2.gz HPKSVPJAWBCDAK-UHFFFAOYSA-N 1 1 399.878 3.668 20 5 GHBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001162800422 1025920803 /nfs/dbraw/zinc/92/08/03/1025920803.db2.gz HPKSVPJAWBCDAK-UHFFFAOYSA-N 1 1 399.878 3.668 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000839500227 1025987444 /nfs/dbraw/zinc/98/74/44/1025987444.db2.gz DPWVAIUHXYHWCP-DLBZAZTESA-N 1 1 389.477 3.573 20 5 GHBDMO O=[N+]([O-])c1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Br ZINC000839525635 1026011808 /nfs/dbraw/zinc/01/18/08/1026011808.db2.gz VOORONYMARQNAR-BBRMVZONSA-N 1 1 394.313 3.806 20 5 GHBDMO COCC[N@@H+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccc(Cl)cc1 ZINC001163385423 1026170742 /nfs/dbraw/zinc/17/07/42/1026170742.db2.gz MFFHPTBXXIPZSH-KRWDZBQOSA-N 1 1 378.860 3.683 20 5 GHBDMO C[N@H+]1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001163668982 1026274447 /nfs/dbraw/zinc/27/44/47/1026274447.db2.gz HKLOFOKAUGNPIQ-GOSISDBHSA-N 1 1 383.839 3.685 20 5 GHBDMO C[N@H+]1CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)[C@H](c2ccccc2)C1 ZINC001163675019 1026279247 /nfs/dbraw/zinc/27/92/47/1026279247.db2.gz WTUCHXAKAAMBMO-FQEVSTJZSA-N 1 1 393.422 3.684 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccncc3)CC2)nc1-c1ccccc1 ZINC001163829134 1026330536 /nfs/dbraw/zinc/33/05/36/1026330536.db2.gz ZDQHWLJVODYIFA-UHFFFAOYSA-N 1 1 389.459 3.764 20 5 GHBDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001164061960 1026399198 /nfs/dbraw/zinc/39/91/98/1026399198.db2.gz ZCZFHNGYPRWSCL-KRWDZBQOSA-N 1 1 388.399 3.915 20 5 GHBDMO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1c[nH+]ccc1Nc1ccccc1 ZINC001164233511 1026459121 /nfs/dbraw/zinc/45/91/21/1026459121.db2.gz YLDZQIOAHMGXSD-UHFFFAOYSA-N 1 1 378.388 3.563 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001164342912 1026491403 /nfs/dbraw/zinc/49/14/03/1026491403.db2.gz VIKCPHFQKNOLAB-QYZOEREBSA-N 1 1 383.496 3.832 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC001165182214 1026651298 /nfs/dbraw/zinc/65/12/98/1026651298.db2.gz UZQTXHLEXHQIGE-UZLBHIALSA-N 1 1 391.475 3.885 20 5 GHBDMO Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209933865 1027284854 /nfs/dbraw/zinc/28/48/54/1027284854.db2.gz CQUFHCHGFDDTCD-UHFFFAOYSA-N 1 1 376.214 3.948 20 5 GHBDMO C[NH+](C)CCOc1cc(Br)ccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210398521 1027490551 /nfs/dbraw/zinc/49/05/51/1027490551.db2.gz HIMFTPIRBZWVPO-UHFFFAOYSA-N 1 1 396.241 3.747 20 5 GHBDMO COc1cc(N2CCC([NH+](C)C)CC2)ccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210399337 1027490856 /nfs/dbraw/zinc/49/08/56/1027490856.db2.gz QLASZGTTWSCBHS-UHFFFAOYSA-N 1 1 386.452 3.583 20 5 GHBDMO O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001461453983 1069556510 /nfs/dbraw/zinc/55/65/10/1069556510.db2.gz SSGYEGGJUVXXND-SFHVURJKSA-N 1 1 390.443 3.994 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(Br)cc1O ZINC000842929842 1029693947 /nfs/dbraw/zinc/69/39/47/1029693947.db2.gz ATSILUBUAFTNGU-SECBINFHSA-N 1 1 396.241 3.505 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126272 1029816715 /nfs/dbraw/zinc/81/67/15/1029816715.db2.gz HLQIPQPQHMQLTE-UONOGXRCSA-N 1 1 382.302 3.569 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001223448529 1030578305 /nfs/dbraw/zinc/57/83/05/1030578305.db2.gz NXRBITWUTWQIDU-IERDGZPVSA-N 1 1 398.459 3.809 20 5 GHBDMO O=[N+]([O-])c1cc(CO[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc([N+](=O)[O-])c1 ZINC001223488629 1030600442 /nfs/dbraw/zinc/60/04/42/1030600442.db2.gz QRVVFDDCNJXTLJ-GOSISDBHSA-N 1 1 389.383 3.823 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223488964 1030600744 /nfs/dbraw/zinc/60/07/44/1030600744.db2.gz WTOBZANOAYUVPT-MGPUTAFESA-N 1 1 385.420 3.930 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001150960686 1030723130 /nfs/dbraw/zinc/72/31/30/1030723130.db2.gz IGJHHBDVGJZWPQ-GJZGRUSLSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001150960686 1030723151 /nfs/dbraw/zinc/72/31/51/1030723151.db2.gz IGJHHBDVGJZWPQ-GJZGRUSLSA-N 1 1 387.867 3.983 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC001152419813 1031233446 /nfs/dbraw/zinc/23/34/46/1031233446.db2.gz ULDKLVNOQGWYJX-NVXWUHKLSA-N 1 1 385.439 3.537 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001225451827 1031422042 /nfs/dbraw/zinc/42/20/42/1031422042.db2.gz VTMOSFRHPFBFPD-OAHLLOKOSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001225451827 1031422053 /nfs/dbraw/zinc/42/20/53/1031422053.db2.gz VTMOSFRHPFBFPD-OAHLLOKOSA-N 1 1 390.823 3.688 20 5 GHBDMO CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001229244921 1033364402 /nfs/dbraw/zinc/36/44/02/1033364402.db2.gz UFFSRIKAPWNERN-NSHDSACASA-N 1 1 394.225 3.540 20 5 GHBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001157056992 1033391492 /nfs/dbraw/zinc/39/14/92/1033391492.db2.gz HZEQODOEULTABT-IBGZPJMESA-N 1 1 396.491 3.811 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229366744 1033440792 /nfs/dbraw/zinc/44/07/92/1033440792.db2.gz CYNDAFCBHHIFKZ-KDOFPFPSSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229402499 1033459367 /nfs/dbraw/zinc/45/93/67/1033459367.db2.gz KYEOLZKOYBZZJS-MGPUTAFESA-N 1 1 378.432 3.827 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001205641483 1033506819 /nfs/dbraw/zinc/50/68/19/1033506819.db2.gz JMJNUIMURPQVCN-MRXNPFEDSA-N 1 1 378.448 3.900 20 5 GHBDMO C[NH+](C)CC(=O)Nc1ccc2nc(OC[C@@H]3CCCCO3)c3ccccc3c2c1 ZINC001229808067 1033730905 /nfs/dbraw/zinc/73/09/05/1033730905.db2.gz NRZGGIOKWGEXAH-KRWDZBQOSA-N 1 1 393.487 3.836 20 5 GHBDMO Cc1cc(CNc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)ncc1Br ZINC001158321248 1034021623 /nfs/dbraw/zinc/02/16/23/1034021623.db2.gz LTWVMYRUWONSQH-SNAWJCMRSA-N 1 1 392.257 3.600 20 5 GHBDMO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001230602264 1034142644 /nfs/dbraw/zinc/14/26/44/1034142644.db2.gz YHUNWDAVJOJXKW-OXFYSEKESA-N 1 1 378.432 3.761 20 5 GHBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001230602264 1034142648 /nfs/dbraw/zinc/14/26/48/1034142648.db2.gz YHUNWDAVJOJXKW-OXFYSEKESA-N 1 1 378.432 3.761 20 5 GHBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001230602264 1034142657 /nfs/dbraw/zinc/14/26/57/1034142657.db2.gz YHUNWDAVJOJXKW-OXFYSEKESA-N 1 1 378.432 3.761 20 5 GHBDMO C[NH+]1CC2(CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C2)C1 ZINC001158869179 1034311266 /nfs/dbraw/zinc/31/12/66/1034311266.db2.gz XVXSJGZFSBNPGM-UHFFFAOYSA-N 1 1 394.809 3.607 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001207669600 1034519171 /nfs/dbraw/zinc/51/91/71/1034519171.db2.gz HSODIJZTZOWTSU-HAZIXKIPSA-N 1 1 375.469 3.939 20 5 GHBDMO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219044 1035168398 /nfs/dbraw/zinc/16/83/98/1035168398.db2.gz PLSUNYSNLBCZNJ-IAGOWNOFSA-N 1 1 375.394 3.918 20 5 GHBDMO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232220082 1035169464 /nfs/dbraw/zinc/16/94/64/1035169464.db2.gz IUPIUGMUBGAWCO-LJQANCHMSA-N 1 1 387.487 3.745 20 5 GHBDMO CCn1ncc2c1[C@@H](COC)C[N@@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232220082 1035169467 /nfs/dbraw/zinc/16/94/67/1035169467.db2.gz IUPIUGMUBGAWCO-LJQANCHMSA-N 1 1 387.487 3.745 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001232225326 1035171298 /nfs/dbraw/zinc/17/12/98/1035171298.db2.gz ATZLLJCZPKWKJA-MJGOQNOKSA-N 1 1 390.487 3.834 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)c1F ZINC001246620336 1037511508 /nfs/dbraw/zinc/51/15/08/1037511508.db2.gz AAOGLUWWGZMVHY-ZQIUZPCESA-N 1 1 385.439 3.815 20 5 GHBDMO Cn1ncc2ccc(C[NH2+]Cc3cc(Br)c([N+](=O)[O-])s3)cc21 ZINC001462267504 1070133337 /nfs/dbraw/zinc/13/33/37/1070133337.db2.gz LGPQSUBDRKMDEL-UHFFFAOYSA-N 1 1 381.255 3.595 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001254552293 1040321601 /nfs/dbraw/zinc/32/16/01/1040321601.db2.gz KATBFQHAOJLUGE-BQTBQCLESA-N 1 1 375.469 3.515 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001254553761 1040323147 /nfs/dbraw/zinc/32/31/47/1040323147.db2.gz YRFRYKDEUDVAHV-JCGIZDLHSA-N 1 1 375.469 3.610 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001254557575 1040328594 /nfs/dbraw/zinc/32/85/94/1040328594.db2.gz QIIHAPVEUORSLX-FYINFDKHSA-N 1 1 397.450 3.511 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001254571520 1040347761 /nfs/dbraw/zinc/34/77/61/1040347761.db2.gz XCEJLRJPISIVTJ-NVXWUHKLSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001254571329 1040348394 /nfs/dbraw/zinc/34/83/94/1040348394.db2.gz SNZYXAYKICYWAY-FXAWDEMLSA-N 1 1 382.460 3.981 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(c3cccc(C(F)(F)F)c3)COC1)C2 ZINC001254575147 1040351779 /nfs/dbraw/zinc/35/17/79/1040351779.db2.gz PBKFGKBYISFAQM-MRXNPFEDSA-N 1 1 378.350 3.596 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCc3ncnc(-c4ccsc4)c3CC1)C2 ZINC001254596052 1040369661 /nfs/dbraw/zinc/36/96/61/1040369661.db2.gz MLVJAJXXQIIBEK-GOSISDBHSA-N 1 1 392.484 3.681 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(-c3nnc([C@@H]4CC[N@@H+](Cc5ccccc5)C4)o3)nc2c1 ZINC001255395560 1040983027 /nfs/dbraw/zinc/98/30/27/1040983027.db2.gz GFXUNBFCNRYDSE-CQSZACIVSA-N 1 1 390.403 3.511 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255444822 1041044645 /nfs/dbraw/zinc/04/46/45/1041044645.db2.gz FMWJWAWFYREVNR-HNNXBMFYSA-N 1 1 382.395 3.697 20 5 GHBDMO O=[N+]([O-])c1c(F)cc(F)cc1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255477328 1041077041 /nfs/dbraw/zinc/07/70/41/1041077041.db2.gz DJJYTQHULGGAFJ-ZDUSSCGKSA-N 1 1 386.358 3.913 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001278323569 1042970430 /nfs/dbraw/zinc/97/04/30/1042970430.db2.gz WCLMLYSZBHOORN-DLVCFXQMSA-N 1 1 379.460 3.841 20 5 GHBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001261237119 1045934910 /nfs/dbraw/zinc/93/49/10/1045934910.db2.gz HVVOLGZUDPOGJW-CYBMUJFWSA-N 1 1 382.386 3.802 20 5 GHBDMO COc1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001263627675 1047004312 /nfs/dbraw/zinc/00/43/12/1047004312.db2.gz SJEXTLUVDJYJRC-KRWDZBQOSA-N 1 1 398.463 3.589 20 5 GHBDMO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001303074018 1047271294 /nfs/dbraw/zinc/27/12/94/1047271294.db2.gz XXDDMCQGFVVFNH-QFBILLFUSA-N 1 1 398.511 3.572 20 5 GHBDMO CSc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc1[N+](=O)[O-] ZINC001264665749 1047403213 /nfs/dbraw/zinc/40/32/13/1047403213.db2.gz QDYUILZZSMSZHI-INIZCTEOSA-N 1 1 383.473 3.942 20 5 GHBDMO CCCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001306669978 1048797825 /nfs/dbraw/zinc/79/78/25/1048797825.db2.gz VPTOCCQDXCEQQI-HNNXBMFYSA-N 1 1 386.500 3.572 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001307170042 1049116980 /nfs/dbraw/zinc/11/69/80/1049116980.db2.gz SUXYGMTWIJZHAI-LBPRGKRZSA-N 1 1 381.860 3.854 20 5 GHBDMO CN(C)c1cc[nH+]c(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC001307210608 1049140910 /nfs/dbraw/zinc/14/09/10/1049140910.db2.gz RQHRMTBGXNFMMS-UHFFFAOYSA-N 1 1 391.300 3.717 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC001307430949 1049267852 /nfs/dbraw/zinc/26/78/52/1049267852.db2.gz QHLACGNBSXLCEJ-LJQANCHMSA-N 1 1 383.448 3.726 20 5 GHBDMO CC(C)[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCS1 ZINC001307496074 1049333127 /nfs/dbraw/zinc/33/31/27/1049333127.db2.gz RUXMLVQOMALCCR-AWEZNQCLSA-N 1 1 382.873 3.872 20 5 GHBDMO CC(C)[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCS1 ZINC001307496074 1049333134 /nfs/dbraw/zinc/33/31/34/1049333134.db2.gz RUXMLVQOMALCCR-AWEZNQCLSA-N 1 1 382.873 3.872 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1OC ZINC001307629909 1049460616 /nfs/dbraw/zinc/46/06/16/1049460616.db2.gz NGFVZHJEOMZVSF-ARFHVFGLSA-N 1 1 379.501 3.553 20 5 GHBDMO COC(=O)/C=C/c1ccc(OCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001307647418 1049473181 /nfs/dbraw/zinc/47/31/81/1049473181.db2.gz BZQBJFSRXUSECA-AWNIVKPZSA-N 1 1 396.443 3.824 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCCN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc1 ZINC001307862064 1049644903 /nfs/dbraw/zinc/64/49/03/1049644903.db2.gz WAZWFRAESIUHFP-KNQAVFIVSA-N 1 1 381.476 3.570 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 ZINC001307862064 1049644908 /nfs/dbraw/zinc/64/49/08/1049644908.db2.gz WAZWFRAESIUHFP-KNQAVFIVSA-N 1 1 381.476 3.570 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 ZINC001307862064 1049644912 /nfs/dbraw/zinc/64/49/12/1049644912.db2.gz WAZWFRAESIUHFP-KNQAVFIVSA-N 1 1 381.476 3.570 20 5 GHBDMO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC001307895070 1049673014 /nfs/dbraw/zinc/67/30/14/1049673014.db2.gz VTUDGFUKJNOSGX-HNNXBMFYSA-N 1 1 378.860 3.771 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC001290400063 1049828017 /nfs/dbraw/zinc/82/80/17/1049828017.db2.gz IQNOAHNAPUYZIT-SFHVURJKSA-N 1 1 388.855 3.519 20 5 GHBDMO CC1(C)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1c1ccccc1 ZINC001308114485 1049859417 /nfs/dbraw/zinc/85/94/17/1049859417.db2.gz RJNDUFXGWQINCY-FQEVSTJZSA-N 1 1 393.487 4.000 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001291002556 1049968100 /nfs/dbraw/zinc/96/81/00/1049968100.db2.gz RRUPKEHMFFPWCO-GASCZTMLSA-N 1 1 381.904 3.665 20 5 GHBDMO COc1cc(CNC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308541450 1050003572 /nfs/dbraw/zinc/00/35/72/1050003572.db2.gz VGWJUBLYKAKVAW-LJQANCHMSA-N 1 1 399.491 3.756 20 5 GHBDMO COc1cc(CNC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308541450 1050003574 /nfs/dbraw/zinc/00/35/74/1050003574.db2.gz VGWJUBLYKAKVAW-LJQANCHMSA-N 1 1 399.491 3.756 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001308651750 1050048036 /nfs/dbraw/zinc/04/80/36/1050048036.db2.gz UTGVBDVXTYNPOJ-DTQAZKPQSA-N 1 1 375.469 3.941 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001308651750 1050048041 /nfs/dbraw/zinc/04/80/41/1050048041.db2.gz UTGVBDVXTYNPOJ-DTQAZKPQSA-N 1 1 375.469 3.941 20 5 GHBDMO C[N@H+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC001330623001 1051044223 /nfs/dbraw/zinc/04/42/23/1051044223.db2.gz XGCBCQUIBITNGP-QGZVFWFLSA-N 1 1 383.839 3.685 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318899691 1054941792 /nfs/dbraw/zinc/94/17/92/1054941792.db2.gz JBWQUVGVQPRGCC-HXUWFJFHSA-N 1 1 386.496 3.665 20 5 GHBDMO COc1ccc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001345370630 1055010246 /nfs/dbraw/zinc/01/02/46/1055010246.db2.gz LUMOXWVSWFJYGM-ZBFHGGJFSA-N 1 1 384.436 3.560 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001319843022 1055500972 /nfs/dbraw/zinc/50/09/72/1055500972.db2.gz SCIINZIEESXAAX-GOSISDBHSA-N 1 1 396.491 3.621 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001321027816 1056062859 /nfs/dbraw/zinc/06/28/59/1056062859.db2.gz OTISNVARYNVKBE-RQUSPXKASA-N 1 1 389.402 3.538 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001321027816 1056062869 /nfs/dbraw/zinc/06/28/69/1056062869.db2.gz OTISNVARYNVKBE-RQUSPXKASA-N 1 1 389.402 3.538 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001321299384 1056215634 /nfs/dbraw/zinc/21/56/34/1056215634.db2.gz SYWDZAFWLYLKQR-OAHLLOKOSA-N 1 1 375.469 3.948 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001321299384 1056215649 /nfs/dbraw/zinc/21/56/49/1056215649.db2.gz SYWDZAFWLYLKQR-OAHLLOKOSA-N 1 1 375.469 3.948 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001321941361 1056451266 /nfs/dbraw/zinc/45/12/66/1056451266.db2.gz JWTNIDCUZFYZGM-HXUWFJFHSA-N 1 1 379.460 3.847 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001300706623 1056924051 /nfs/dbraw/zinc/92/40/51/1056924051.db2.gz XULZOSATBOLEKH-HNNXBMFYSA-N 1 1 383.448 3.990 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1 ZINC001324434134 1057134069 /nfs/dbraw/zinc/13/40/69/1057134069.db2.gz SJJQUHSAVSYVNS-AEFFLSMTSA-N 1 1 389.452 3.631 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1 ZINC001324434134 1057134073 /nfs/dbraw/zinc/13/40/73/1057134073.db2.gz SJJQUHSAVSYVNS-AEFFLSMTSA-N 1 1 389.452 3.631 20 5 GHBDMO Cc1cccc(NC[C@H]2CCCN2C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC001325338658 1057314944 /nfs/dbraw/zinc/31/49/44/1057314944.db2.gz JCZBJTMBABOLJG-GOEBONIOSA-N 1 1 386.427 3.644 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001356354268 1057486174 /nfs/dbraw/zinc/48/61/74/1057486174.db2.gz GRMHEHGFNXOVNB-GJZGRUSLSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001356354268 1057486180 /nfs/dbraw/zinc/48/61/80/1057486180.db2.gz GRMHEHGFNXOVNB-GJZGRUSLSA-N 1 1 387.867 3.983 20 5 GHBDMO CCc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001356357502 1057487399 /nfs/dbraw/zinc/48/73/99/1057487399.db2.gz WFUMJZYLJOPLHA-DLBZAZTESA-N 1 1 381.476 3.892 20 5 GHBDMO CCc1ccc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001356357502 1057487406 /nfs/dbraw/zinc/48/74/06/1057487406.db2.gz WFUMJZYLJOPLHA-DLBZAZTESA-N 1 1 381.476 3.892 20 5 GHBDMO Cn1c[nH+]cc1C1CCN(c2cc(F)cc(Br)c2[N+](=O)[O-])CC1 ZINC001338189117 1058444174 /nfs/dbraw/zinc/44/41/74/1058444174.db2.gz XJDOATIHKSIODT-UHFFFAOYSA-N 1 1 383.221 3.614 20 5 GHBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001440205187 1058462634 /nfs/dbraw/zinc/46/26/34/1058462634.db2.gz WBIPXXFHBOHOOJ-XIRDDKMYSA-N 1 1 397.500 3.816 20 5 GHBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001447223692 1059938069 /nfs/dbraw/zinc/93/80/69/1059938069.db2.gz CPTNOKONHZNRTC-UHFFFAOYSA-N 1 1 396.403 3.552 20 5 GHBDMO COC(=O)N1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001341552538 1060741108 /nfs/dbraw/zinc/74/11/08/1060741108.db2.gz DWWXNCXAYAQCCF-UHFFFAOYSA-N 1 1 393.827 3.782 20 5 GHBDMO COC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001341552538 1060741121 /nfs/dbraw/zinc/74/11/21/1060741121.db2.gz DWWXNCXAYAQCCF-UHFFFAOYSA-N 1 1 393.827 3.782 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001454553866 1061839844 /nfs/dbraw/zinc/83/98/44/1061839844.db2.gz JXMXJINZDHAXET-SNVBAGLBSA-N 1 1 390.242 3.787 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC001347484218 1062420403 /nfs/dbraw/zinc/42/04/03/1062420403.db2.gz OQRSRIMOASYVNQ-JKSUJKDBSA-N 1 1 390.484 3.722 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001435347324 1062530155 /nfs/dbraw/zinc/53/01/55/1062530155.db2.gz RJHKGSUKMPYROM-CYBMUJFWSA-N 1 1 385.386 3.608 20 5 GHBDMO COc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1[N+](=O)[O-] ZINC001546082321 1062668954 /nfs/dbraw/zinc/66/89/54/1062668954.db2.gz NLQBXLSRYROCBM-GOSISDBHSA-N 1 1 395.459 3.844 20 5 GHBDMO COc1ccccc1C1([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC001348450149 1063083680 /nfs/dbraw/zinc/08/36/80/1063083680.db2.gz QTXBETQTDYKEAC-UHFFFAOYSA-N 1 1 389.839 3.864 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001458009180 1063502887 /nfs/dbraw/zinc/50/28/87/1063502887.db2.gz WTIZDHQJDPQPPE-IRXDYDNUSA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001458009180 1063502905 /nfs/dbraw/zinc/50/29/05/1063502905.db2.gz WTIZDHQJDPQPPE-IRXDYDNUSA-N 1 1 381.476 3.947 20 5 GHBDMO O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001458157771 1063613038 /nfs/dbraw/zinc/61/30/38/1063613038.db2.gz QPDXUWCWBVFDBD-INIZCTEOSA-N 1 1 376.416 3.933 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)c3nc4sccn4c3[N+](=O)[O-])C2)s1 ZINC001458469400 1063829124 /nfs/dbraw/zinc/82/91/24/1063829124.db2.gz QMFKPPQEYSJKDY-CYBMUJFWSA-N 1 1 391.522 3.632 20 5 GHBDMO CCc1ccc(C[NH+]2CCN(Cc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)s1 ZINC001459512309 1064116919 /nfs/dbraw/zinc/11/69/19/1064116919.db2.gz GJIUMZDDJKACNT-UHFFFAOYSA-N 1 1 393.484 3.684 20 5 GHBDMO Cc1cccc(OC[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C(C)C)c1 ZINC001459551336 1064125081 /nfs/dbraw/zinc/12/50/81/1064125081.db2.gz PQQUJMWNFXWLEQ-SFHVURJKSA-N 1 1 376.428 3.693 20 5 GHBDMO Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C(C)C)c1 ZINC001459551336 1064125084 /nfs/dbraw/zinc/12/50/84/1064125084.db2.gz PQQUJMWNFXWLEQ-SFHVURJKSA-N 1 1 376.428 3.693 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001459608275 1064140901 /nfs/dbraw/zinc/14/09/01/1064140901.db2.gz KYLULUVDOSHWPM-WMLDXEAASA-N 1 1 393.484 3.729 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001459608275 1064140904 /nfs/dbraw/zinc/14/09/04/1064140904.db2.gz KYLULUVDOSHWPM-WMLDXEAASA-N 1 1 393.484 3.729 20 5 GHBDMO CCC1(CC)[C@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1OC ZINC001459697134 1064174877 /nfs/dbraw/zinc/17/48/77/1064174877.db2.gz XIKMRBDBKRIHOT-MSOLQXFVSA-N 1 1 377.485 3.757 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3(O)CCC(c4ccccc4)CC3)C2)nc1 ZINC001459700497 1064176479 /nfs/dbraw/zinc/17/64/79/1064176479.db2.gz OYNOJUQNLGBZII-LVIWNVNYSA-N 1 1 396.491 3.565 20 5 GHBDMO CCc1ccccc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001459907921 1064266084 /nfs/dbraw/zinc/26/60/84/1064266084.db2.gz AXDQCGAOZIYDPP-UHFFFAOYSA-N 1 1 379.464 3.746 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001464417890 1064996544 /nfs/dbraw/zinc/99/65/44/1064996544.db2.gz RCBYRDTYAQPLMH-XHSDSOJGSA-N 1 1 375.513 3.989 20 5 GHBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001466596691 1066204116 /nfs/dbraw/zinc/20/41/16/1066204116.db2.gz FJVWEKRTVHYNGD-NRFANRHFSA-N 1 1 393.487 3.556 20 5 GHBDMO CC[C@H](c1ccccc1)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC001473291608 1067181732 /nfs/dbraw/zinc/18/17/32/1067181732.db2.gz IGDRHHPPXNPKIB-LJQANCHMSA-N 1 1 399.447 3.550 20 5 GHBDMO CC[C@H](c1ccccc1)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC001473291608 1067181744 /nfs/dbraw/zinc/18/17/44/1067181744.db2.gz IGDRHHPPXNPKIB-LJQANCHMSA-N 1 1 399.447 3.550 20 5 GHBDMO Cc1cc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC001467529186 1067344816 /nfs/dbraw/zinc/34/48/16/1067344816.db2.gz BDHYKANQBZZWLF-FQEVSTJZSA-N 1 1 382.464 3.935 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001467564973 1067361726 /nfs/dbraw/zinc/36/17/26/1067361726.db2.gz IZSNPUOTWHJVHH-INIZCTEOSA-N 1 1 377.510 3.844 20 5 GHBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001467645386 1067398869 /nfs/dbraw/zinc/39/88/69/1067398869.db2.gz WQVYZHVBPGIZKW-VIFPVBQESA-N 1 1 378.231 3.597 20 5 GHBDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473431540 1067559353 /nfs/dbraw/zinc/55/93/53/1067559353.db2.gz GCVGOTQXQBBMOU-VQIMIIECSA-N 1 1 379.460 3.670 20 5 GHBDMO CCNc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001361047414 1068751506 /nfs/dbraw/zinc/75/15/06/1068751506.db2.gz AXVAYBSUCOSJRC-LPHOPBHVSA-N 1 1 396.491 3.667 20 5 GHBDMO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001478237776 1078779493 /nfs/dbraw/zinc/77/94/93/1078779493.db2.gz VLOGZFXKOVDTKH-OAQYLSRUSA-N 1 1 396.491 3.882 20 5 GHBDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001460273837 1068901452 /nfs/dbraw/zinc/90/14/52/1068901452.db2.gz BPYCSKYHOQMPTH-JOCHJYFZSA-N 1 1 397.450 3.720 20 5 GHBDMO CCOc1cc(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001460415797 1068958309 /nfs/dbraw/zinc/95/83/09/1068958309.db2.gz IIOYUERYXRCEFV-UHFFFAOYSA-N 1 1 381.473 3.729 20 5 GHBDMO COc1cc2c(cc1OC)C(C)(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC001460713022 1069112911 /nfs/dbraw/zinc/11/29/11/1069112911.db2.gz ZPLKZOYVYGLNBF-UHFFFAOYSA-N 1 1 386.448 3.784 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001460847429 1069216728 /nfs/dbraw/zinc/21/67/28/1069216728.db2.gz UBOZELNURYRNAW-KRWDZBQOSA-N 1 1 393.484 3.823 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001460847429 1069216736 /nfs/dbraw/zinc/21/67/36/1069216736.db2.gz UBOZELNURYRNAW-KRWDZBQOSA-N 1 1 393.484 3.823 20 5 GHBDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001460852717 1069222194 /nfs/dbraw/zinc/22/21/94/1069222194.db2.gz RREKAKYBRNVOLU-VWKPWSFCSA-N 1 1 383.448 3.774 20 5 GHBDMO Cc1ccccc1[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC001470830302 1072760042 /nfs/dbraw/zinc/76/00/42/1072760042.db2.gz HDNDNTZVKKWIPQ-MRXNPFEDSA-N 1 1 394.258 3.997 20 5 GHBDMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC001471243253 1072980772 /nfs/dbraw/zinc/98/07/72/1072980772.db2.gz PYGSHOVQTAWHNZ-GOSISDBHSA-N 1 1 385.439 3.571 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CCC[N@H+]3C3CCCCC3)c2c1 ZINC001472769239 1073657826 /nfs/dbraw/zinc/65/78/26/1073657826.db2.gz KRJRKLHTOOCXNS-MRXNPFEDSA-N 1 1 399.451 3.682 20 5 GHBDMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC001472790083 1073666504 /nfs/dbraw/zinc/66/65/04/1073666504.db2.gz JCHLQMDGVPSOAI-IBGZPJMESA-N 1 1 383.496 3.554 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001472857620 1073697370 /nfs/dbraw/zinc/69/73/70/1073697370.db2.gz LWVKOUSTWMSVAE-MRXNPFEDSA-N 1 1 375.469 3.899 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)o1 ZINC001473174261 1073831043 /nfs/dbraw/zinc/83/10/43/1073831043.db2.gz SDQDOKYZPPHCID-OAHLLOKOSA-N 1 1 382.395 3.849 20 5 GHBDMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1Br ZINC001473219111 1073866850 /nfs/dbraw/zinc/86/68/50/1073866850.db2.gz BLEJHUKRLIWOIZ-UHFFFAOYSA-N 1 1 381.274 3.712 20 5 GHBDMO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC001473233528 1073878166 /nfs/dbraw/zinc/87/81/66/1073878166.db2.gz PHJHKGUQBFSFHA-SFHVURJKSA-N 1 1 390.867 3.961 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)CC2(O)CCCC2)cc1OC ZINC001473299268 1073911013 /nfs/dbraw/zinc/91/10/13/1073911013.db2.gz HQVBQFUBUPRMMY-HNNXBMFYSA-N 1 1 380.485 3.765 20 5 GHBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001473592614 1074036829 /nfs/dbraw/zinc/03/68/29/1074036829.db2.gz SASBYAGJFSLTJO-JKSUJKDBSA-N 1 1 392.814 3.776 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC001473775324 1074136377 /nfs/dbraw/zinc/13/63/77/1074136377.db2.gz KPGZYTPIQBNJJF-WOVMCDHWSA-N 1 1 395.228 3.636 20 5 GHBDMO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(F)ccc1OC ZINC001473814056 1074157160 /nfs/dbraw/zinc/15/71/60/1074157160.db2.gz XHJRXQOXSMBSIW-MSOLQXFVSA-N 1 1 387.411 3.589 20 5 GHBDMO C[N@H+]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C2(CCCCC2)C1 ZINC001474328317 1074344809 /nfs/dbraw/zinc/34/48/09/1074344809.db2.gz ZJZZLBUPIWJKAG-UHFFFAOYSA-N 1 1 388.331 3.869 20 5 GHBDMO COc1c(O)ccc(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)c1[N+](=O)[O-] ZINC001474492579 1074430082 /nfs/dbraw/zinc/43/00/82/1074430082.db2.gz YXQSJNOAMFDZHF-UHFFFAOYSA-N 1 1 399.378 3.925 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001659938230 1126263762 /nfs/dbraw/zinc/26/37/62/1126263762.db2.gz FHMMWLKWRZWKAM-HOCLYGCPSA-N 1 1 388.773 3.872 20 5 GHBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164647532 719310343 /nfs/dbraw/zinc/31/03/43/719310343.db2.gz CIBJHXPUNUZOLO-UHFFFAOYSA-N 1 1 394.479 3.545 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721215 720357982 /nfs/dbraw/zinc/35/79/82/720357982.db2.gz BQMAZZNELYFEMR-UONOGXRCSA-N 1 1 394.262 3.545 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])c3ccccc31)[C@H]2C ZINC001164859969 720953640 /nfs/dbraw/zinc/95/36/40/720953640.db2.gz ORIFASBXQDPUJU-HNNXBMFYSA-N 1 1 394.479 3.761 20 5 GHBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000431776408 837465848 /nfs/dbraw/zinc/46/58/48/837465848.db2.gz PQGZISBDKLCODR-OAHLLOKOSA-N 1 1 376.501 3.640 20 5 GHBDMO CC[NH+]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000255938871 837737662 /nfs/dbraw/zinc/73/76/62/837737662.db2.gz FWRYJDDGYQZWQQ-UHFFFAOYSA-N 1 1 389.839 3.818 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000480509173 834881591 /nfs/dbraw/zinc/88/15/91/834881591.db2.gz AYVGQKLEVGVASQ-HUUCEWRRSA-N 1 1 377.510 3.700 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000157506784 834926505 /nfs/dbraw/zinc/92/65/05/834926505.db2.gz FHUCUHJKEMDWTO-INIZCTEOSA-N 1 1 389.496 3.720 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000176894390 835015122 /nfs/dbraw/zinc/01/51/22/835015122.db2.gz SSRUQGWUCBQNTG-INIZCTEOSA-N 1 1 379.819 3.728 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472333339 835047857 /nfs/dbraw/zinc/04/78/57/835047857.db2.gz BWJGSUKPZRKVDQ-XYJFISCASA-N 1 1 397.475 3.884 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000136099542 835085092 /nfs/dbraw/zinc/08/50/92/835085092.db2.gz VUXSAVPYMSTNTI-OAHLLOKOSA-N 1 1 379.526 3.949 20 5 GHBDMO COc1cc(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000510112459 835324335 /nfs/dbraw/zinc/32/43/35/835324335.db2.gz JZXRUDMKKCDYOY-SJLPKXTDSA-N 1 1 397.475 3.634 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c2ccncc21 ZINC000052722309 835328360 /nfs/dbraw/zinc/32/83/60/835328360.db2.gz ALOSBTAKVIZCTJ-FQEVSTJZSA-N 1 1 378.432 3.628 20 5 GHBDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000583991879 835369677 /nfs/dbraw/zinc/36/96/77/835369677.db2.gz BBWHKBHCAIOLJN-UHFFFAOYSA-N 1 1 398.887 3.961 20 5 GHBDMO CSc1cccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188132440 835372172 /nfs/dbraw/zinc/37/21/72/835372172.db2.gz JACBGDYPPOHOEI-QGZVFWFLSA-N 1 1 399.516 3.611 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000065743858 835408480 /nfs/dbraw/zinc/40/84/80/835408480.db2.gz JLJXDQNVZRVCOB-APWZRJJASA-N 1 1 392.459 3.501 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177058495 835690131 /nfs/dbraw/zinc/69/01/31/835690131.db2.gz SJXLXQVOMKCCSJ-KBPBESRZSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177058495 835690134 /nfs/dbraw/zinc/69/01/34/835690134.db2.gz SJXLXQVOMKCCSJ-KBPBESRZSA-N 1 1 381.448 3.859 20 5 GHBDMO COc1ccc(C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)cc1 ZINC000060089858 836019728 /nfs/dbraw/zinc/01/97/28/836019728.db2.gz NZRLPZTZJKIROA-UHFFFAOYSA-N 1 1 383.448 3.905 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000411179614 836078114 /nfs/dbraw/zinc/07/81/14/836078114.db2.gz LQDVYHAQMJMHFD-UHFFFAOYSA-N 1 1 387.411 3.736 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000411181586 836081145 /nfs/dbraw/zinc/08/11/45/836081145.db2.gz UMYLINBKHJOMJZ-GOSISDBHSA-N 1 1 387.411 3.908 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000134875897 836158025 /nfs/dbraw/zinc/15/80/25/836158025.db2.gz JKUKQUDSRCPXHX-HOCLYGCPSA-N 1 1 385.489 3.710 20 5 GHBDMO C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612485996 836298262 /nfs/dbraw/zinc/29/82/62/836298262.db2.gz WRIHFLSDUBORPD-MAUKXSAKSA-N 1 1 385.439 3.570 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000174035720 836358101 /nfs/dbraw/zinc/35/81/01/836358101.db2.gz LIJUUJQQURZVEF-AWEZNQCLSA-N 1 1 382.420 3.716 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](Oc4ccccc4)C3)n2)cc1 ZINC000411977113 836467108 /nfs/dbraw/zinc/46/71/08/836467108.db2.gz AEJSYDIGAAWINL-SFHVURJKSA-N 1 1 380.404 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](Oc4ccccc4)C3)n2)cc1 ZINC000411977113 836467115 /nfs/dbraw/zinc/46/71/15/836467115.db2.gz AEJSYDIGAAWINL-SFHVURJKSA-N 1 1 380.404 3.688 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c2c(c1)COCO2 ZINC000411995187 836487613 /nfs/dbraw/zinc/48/76/13/836487613.db2.gz CHUQIKAMOXOKGG-NRFANRHFSA-N 1 1 396.443 3.815 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c2c(c1)COCO2 ZINC000411995187 836487619 /nfs/dbraw/zinc/48/76/19/836487619.db2.gz CHUQIKAMOXOKGG-NRFANRHFSA-N 1 1 396.443 3.815 20 5 GHBDMO C[C@@H]1C[NH+](CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000025151620 844198379 /nfs/dbraw/zinc/19/83/79/844198379.db2.gz IRVZASFTAXJDSE-IAGOWNOFSA-N 1 1 397.475 3.737 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000175634656 836846224 /nfs/dbraw/zinc/84/62/24/836846224.db2.gz GXZHRSBPVSEOAX-PXNSSMCTSA-N 1 1 396.491 3.789 20 5 GHBDMO C[C@@H](CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000175634896 836846266 /nfs/dbraw/zinc/84/62/66/836846266.db2.gz GDTRQNGNRIVUKX-KRWDZBQOSA-N 1 1 384.480 3.647 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247163068 837011760 /nfs/dbraw/zinc/01/17/60/837011760.db2.gz AMLCLAYEKDGOMH-DIFFPNOSSA-N 1 1 395.431 3.747 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275418561 837012119 /nfs/dbraw/zinc/01/21/19/837012119.db2.gz BNXVKILQVXCZLY-MRXNPFEDSA-N 1 1 377.488 3.944 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109764186 837843573 /nfs/dbraw/zinc/84/35/73/837843573.db2.gz JMSIPTZQRQSJOJ-CQSZACIVSA-N 1 1 393.447 3.678 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000177533555 837974328 /nfs/dbraw/zinc/97/43/28/837974328.db2.gz TUSHJIAGJONSLP-QAPCUYQASA-N 1 1 383.448 3.810 20 5 GHBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275628267 838079576 /nfs/dbraw/zinc/07/95/76/838079576.db2.gz JFJHUUHWNVIUCU-BLVKFPJESA-N 1 1 399.441 3.830 20 5 GHBDMO CC(C)(CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@H+]1CCc2ccccc2C1 ZINC000535675636 844296860 /nfs/dbraw/zinc/29/68/60/844296860.db2.gz MHOXOLHHKWNEDT-UHFFFAOYSA-N 1 1 392.459 3.643 20 5 GHBDMO COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1SC ZINC000103073883 838325784 /nfs/dbraw/zinc/32/57/84/838325784.db2.gz JQAYPCGMTZYYJL-ZDUSSCGKSA-N 1 1 395.525 3.566 20 5 GHBDMO CC(C)[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000098135238 844323621 /nfs/dbraw/zinc/32/36/21/844323621.db2.gz AGLJZLXYNWWUHQ-OAHLLOKOSA-N 1 1 387.402 3.606 20 5 GHBDMO CC(C)[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000098135238 844323636 /nfs/dbraw/zinc/32/36/36/844323636.db2.gz AGLJZLXYNWWUHQ-OAHLLOKOSA-N 1 1 387.402 3.606 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@@H]1c1ccc(Cl)cc1 ZINC000535708102 844338774 /nfs/dbraw/zinc/33/87/74/844338774.db2.gz MAXNPLAAIFRRTA-LPHOPBHVSA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@@H]1c1ccc(Cl)cc1 ZINC000535708102 844338782 /nfs/dbraw/zinc/33/87/82/844338782.db2.gz MAXNPLAAIFRRTA-LPHOPBHVSA-N 1 1 398.850 3.905 20 5 GHBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000414557432 838624289 /nfs/dbraw/zinc/62/42/89/838624289.db2.gz XCBCDIFGYJSJPV-MRXNPFEDSA-N 1 1 383.448 3.832 20 5 GHBDMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000412056867 839123001 /nfs/dbraw/zinc/12/30/01/839123001.db2.gz PPOZHRYLMSCIFP-CQSZACIVSA-N 1 1 385.386 3.591 20 5 GHBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000412056867 839123002 /nfs/dbraw/zinc/12/30/02/839123002.db2.gz PPOZHRYLMSCIFP-CQSZACIVSA-N 1 1 385.386 3.591 20 5 GHBDMO COc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1OC(F)F ZINC000047745123 839125077 /nfs/dbraw/zinc/12/50/77/839125077.db2.gz WIMFDDMPTZZLFR-UHFFFAOYSA-N 1 1 393.390 3.527 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000533804811 839272950 /nfs/dbraw/zinc/27/29/50/839272950.db2.gz GRHVDIDNANDQPF-INIZCTEOSA-N 1 1 388.512 3.563 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c2c(c1)COCO2 ZINC000175819308 839633550 /nfs/dbraw/zinc/63/35/50/839633550.db2.gz MJIWYLCRDFPJMG-RDJZCZTQSA-N 1 1 390.461 3.611 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c2c(c1)COCO2 ZINC000175819329 839633611 /nfs/dbraw/zinc/63/36/11/839633611.db2.gz MJIWYLCRDFPJMG-NVXWUHKLSA-N 1 1 390.461 3.611 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@@H]2CCO)ccc1Oc1ccc(F)cc1 ZINC000535800168 844477790 /nfs/dbraw/zinc/47/77/90/844477790.db2.gz UDWZOZIAFDGPGS-INIZCTEOSA-N 1 1 392.452 3.826 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@@H]2CCO)ccc1Oc1ccc(F)cc1 ZINC000535800168 844477798 /nfs/dbraw/zinc/47/77/98/844477798.db2.gz UDWZOZIAFDGPGS-INIZCTEOSA-N 1 1 392.452 3.826 20 5 GHBDMO CCOc1cc(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000580661427 839975043 /nfs/dbraw/zinc/97/50/43/839975043.db2.gz WRLSRRWHEPASTA-UHFFFAOYSA-N 1 1 391.493 3.502 20 5 GHBDMO CCOc1cc(C[N@@H+](CCNC(C)=O)Cc2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000580661427 839975052 /nfs/dbraw/zinc/97/50/52/839975052.db2.gz WRLSRRWHEPASTA-UHFFFAOYSA-N 1 1 391.493 3.502 20 5 GHBDMO C[C@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000572811890 844497809 /nfs/dbraw/zinc/49/78/09/844497809.db2.gz PZCZSRNRPGZXKU-HRAATJIYSA-N 1 1 381.476 3.725 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000610458536 840108894 /nfs/dbraw/zinc/10/88/94/840108894.db2.gz NNXNDZKQOCQVTB-ROUUACIJSA-N 1 1 396.491 3.962 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000110596432 840245771 /nfs/dbraw/zinc/24/57/71/840245771.db2.gz GPQCVTUMNZQAOP-AYHJJNSGSA-N 1 1 394.475 3.562 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511712662 840543732 /nfs/dbraw/zinc/54/37/32/840543732.db2.gz LHQAUCSWOGMMJO-FQEVSTJZSA-N 1 1 397.475 3.634 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)c1 ZINC000432020256 840548641 /nfs/dbraw/zinc/54/86/41/840548641.db2.gz RGTZLGQHUMYQSC-JXFKEZNVSA-N 1 1 392.402 3.840 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)c1 ZINC000432020256 840548652 /nfs/dbraw/zinc/54/86/52/840548652.db2.gz RGTZLGQHUMYQSC-JXFKEZNVSA-N 1 1 392.402 3.840 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000511760031 840652935 /nfs/dbraw/zinc/65/29/35/840652935.db2.gz VACAFMKGTXNGGG-FQEVSTJZSA-N 1 1 381.476 3.554 20 5 GHBDMO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000511805943 840814978 /nfs/dbraw/zinc/81/49/78/840814978.db2.gz JGFQBIZXJXGFBD-OAQYLSRUSA-N 1 1 395.503 3.863 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000157046101 841047316 /nfs/dbraw/zinc/04/73/16/841047316.db2.gz SJBTWAQJGFMEDZ-MJGOQNOKSA-N 1 1 396.491 3.518 20 5 GHBDMO CCC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCN1CCCCC1 ZINC000513148900 844627081 /nfs/dbraw/zinc/62/70/81/844627081.db2.gz JEHVRSHMZKZNGH-UHFFFAOYSA-N 1 1 386.496 3.990 20 5 GHBDMO CCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCN1CCCCC1 ZINC000513148900 844627083 /nfs/dbraw/zinc/62/70/83/844627083.db2.gz JEHVRSHMZKZNGH-UHFFFAOYSA-N 1 1 386.496 3.990 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000302167900 861225973 /nfs/dbraw/zinc/22/59/73/861225973.db2.gz SIXALJSYTPEMMX-BBRMVZONSA-N 1 1 395.385 3.899 20 5 GHBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000302175929 861230948 /nfs/dbraw/zinc/23/09/48/861230948.db2.gz QWKMTLXPHMTSIB-UHFFFAOYSA-N 1 1 377.391 3.746 20 5 GHBDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000121448459 842076263 /nfs/dbraw/zinc/07/62/63/842076263.db2.gz JVQFEPKPWWEHJH-HOCLYGCPSA-N 1 1 399.422 3.910 20 5 GHBDMO CC(C)OCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000061309138 861279230 /nfs/dbraw/zinc/27/92/30/861279230.db2.gz RRXKQZYNGNSNQT-UHFFFAOYSA-N 1 1 389.521 3.866 20 5 GHBDMO CC(C)OCC[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000061309138 861279242 /nfs/dbraw/zinc/27/92/42/861279242.db2.gz RRXKQZYNGNSNQT-UHFFFAOYSA-N 1 1 389.521 3.866 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1Cl ZINC000512045351 842307423 /nfs/dbraw/zinc/30/74/23/842307423.db2.gz KHRCMGBFRDQERS-QGZVFWFLSA-N 1 1 386.839 3.762 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000112918668 842419877 /nfs/dbraw/zinc/41/98/77/842419877.db2.gz MOBDILLEAMTCFJ-UHFFFAOYSA-N 1 1 379.526 3.901 20 5 GHBDMO Cc1sc(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000121514394 842523450 /nfs/dbraw/zinc/52/34/50/842523450.db2.gz XVDJARFORLJNNN-CHWSQXEVSA-N 1 1 389.477 3.826 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000187611717 842677943 /nfs/dbraw/zinc/67/79/43/842677943.db2.gz NEFQHOBIMBNWKG-IBGZPJMESA-N 1 1 387.867 3.889 20 5 GHBDMO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310084380 842743394 /nfs/dbraw/zinc/74/33/94/842743394.db2.gz MFIYMZAPPHRBGZ-CQSZACIVSA-N 1 1 391.269 3.686 20 5 GHBDMO CC(C)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000481435355 861354599 /nfs/dbraw/zinc/35/45/99/861354599.db2.gz LTISXBGPZXPKBI-QUCCMNQESA-N 1 1 399.491 3.765 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000510593552 843000443 /nfs/dbraw/zinc/00/04/43/843000443.db2.gz VQRYAAZIGBHZQA-FQEVSTJZSA-N 1 1 381.476 3.698 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000510593552 843000454 /nfs/dbraw/zinc/00/04/54/843000454.db2.gz VQRYAAZIGBHZQA-FQEVSTJZSA-N 1 1 381.476 3.698 20 5 GHBDMO CN(C(=O)C[N@H+](C)CCCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000603908637 861371458 /nfs/dbraw/zinc/37/14/58/861371458.db2.gz CTHYJTBNQJWRAI-UHFFFAOYSA-N 1 1 391.855 3.612 20 5 GHBDMO CN(C(=O)C[N@@H+](C)CCCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000603908637 861371471 /nfs/dbraw/zinc/37/14/71/861371471.db2.gz CTHYJTBNQJWRAI-UHFFFAOYSA-N 1 1 391.855 3.612 20 5 GHBDMO COC1CC[NH+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000053897260 843091740 /nfs/dbraw/zinc/09/17/40/843091740.db2.gz YZTWNBWYCGWRSK-HXUWFJFHSA-N 1 1 383.448 3.694 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582285 843093536 /nfs/dbraw/zinc/09/35/36/843093536.db2.gz BBBHRIAIKVSRIB-INIZCTEOSA-N 1 1 380.448 3.832 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000302836011 861382701 /nfs/dbraw/zinc/38/27/01/861382701.db2.gz WDFJOHAJFNCPGZ-QGZVFWFLSA-N 1 1 375.856 3.735 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430913436 843181478 /nfs/dbraw/zinc/18/14/78/843181478.db2.gz VBLDNDQVTQIOCZ-UWJYYQICSA-N 1 1 397.475 3.646 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430913436 843181483 /nfs/dbraw/zinc/18/14/83/843181483.db2.gz VBLDNDQVTQIOCZ-UWJYYQICSA-N 1 1 397.475 3.646 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610643977 843348071 /nfs/dbraw/zinc/34/80/71/843348071.db2.gz PDJJOJXXIIPKSG-YLJYHZDGSA-N 1 1 396.491 3.880 20 5 GHBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000278886594 843533262 /nfs/dbraw/zinc/53/32/62/843533262.db2.gz PUDAWLQYGFNSHR-QGZVFWFLSA-N 1 1 389.499 3.713 20 5 GHBDMO C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCCC[C@@H]1C ZINC000510849810 843611519 /nfs/dbraw/zinc/61/15/19/843611519.db2.gz BLHOBULIIFQSOV-RYUDHWBXSA-N 1 1 386.399 3.581 20 5 GHBDMO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000568779383 843618577 /nfs/dbraw/zinc/61/85/77/843618577.db2.gz CNOLAUVUIRKRAZ-YSIASYRMSA-N 1 1 386.496 3.991 20 5 GHBDMO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000568779386 843620258 /nfs/dbraw/zinc/62/02/58/843620258.db2.gz CNOLAUVUIRKRAZ-YZGWKJHDSA-N 1 1 386.496 3.991 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000510911797 843780774 /nfs/dbraw/zinc/78/07/74/843780774.db2.gz HQGWQDAGLMJHGS-HXUWFJFHSA-N 1 1 396.491 3.695 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)nc1 ZINC000128899851 843855944 /nfs/dbraw/zinc/85/59/44/843855944.db2.gz GFJNOYCVOAVCPJ-INIZCTEOSA-N 1 1 398.854 3.515 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433073430 845169024 /nfs/dbraw/zinc/16/90/24/845169024.db2.gz AXYLBHYUOVYMGL-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433073430 845169029 /nfs/dbraw/zinc/16/90/29/845169029.db2.gz AXYLBHYUOVYMGL-DOTOQJQBSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433075239 845181930 /nfs/dbraw/zinc/18/19/30/845181930.db2.gz XZROTYAUIAHVHO-KRWDZBQOSA-N 1 1 383.448 3.812 20 5 GHBDMO COc1ccccc1C(C)(C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560470 845360111 /nfs/dbraw/zinc/36/01/11/845360111.db2.gz KEPSFCGPPKJDTB-HXUWFJFHSA-N 1 1 394.475 3.994 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182642942 845516713 /nfs/dbraw/zinc/51/67/13/845516713.db2.gz NSKJHKLVOYEKNR-OAHLLOKOSA-N 1 1 398.463 3.883 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182642942 845516720 /nfs/dbraw/zinc/51/67/20/845516720.db2.gz NSKJHKLVOYEKNR-OAHLLOKOSA-N 1 1 398.463 3.883 20 5 GHBDMO CC[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@H+]1CCc2ccccc2C1 ZINC000536508881 846050606 /nfs/dbraw/zinc/05/06/06/846050606.db2.gz WJJFVARMLLUKHA-QGZVFWFLSA-N 1 1 392.459 3.643 20 5 GHBDMO C[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c2ccccc2S1 ZINC000511059044 846142245 /nfs/dbraw/zinc/14/22/45/846142245.db2.gz JRKQXKOZCBFCEL-MRXNPFEDSA-N 1 1 399.516 3.987 20 5 GHBDMO C[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c2ccccc2S1 ZINC000511059044 846142249 /nfs/dbraw/zinc/14/22/49/846142249.db2.gz JRKQXKOZCBFCEL-MRXNPFEDSA-N 1 1 399.516 3.987 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000582051113 846153889 /nfs/dbraw/zinc/15/38/89/846153889.db2.gz HJMVXBSGIOSWBA-INIZCTEOSA-N 1 1 397.475 3.904 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000502537085 846175189 /nfs/dbraw/zinc/17/51/89/846175189.db2.gz FHYOSJVTTPGGHA-HNNXBMFYSA-N 1 1 377.466 3.723 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000063483311 846370878 /nfs/dbraw/zinc/37/08/78/846370878.db2.gz GQJSVBPTYDJYEG-UHFFFAOYSA-N 1 1 393.447 3.550 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000016483185 846429827 /nfs/dbraw/zinc/42/98/27/846429827.db2.gz KSTCKOMUQFPIGT-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000016483185 846429832 /nfs/dbraw/zinc/42/98/32/846429832.db2.gz KSTCKOMUQFPIGT-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(N2CCCC2)[nH+]1 ZINC000611580273 846527148 /nfs/dbraw/zinc/52/71/48/846527148.db2.gz IQFISXZHSVKJCI-INIZCTEOSA-N 1 1 397.479 3.767 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000501061291 846592469 /nfs/dbraw/zinc/59/24/69/846592469.db2.gz VWPVPVBUTHDTCQ-CQSZACIVSA-N 1 1 387.461 3.722 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000511091520 846629653 /nfs/dbraw/zinc/62/96/53/846629653.db2.gz LYJPZLNCZYEFOZ-DENIHFKCSA-N 1 1 384.476 3.524 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000501095207 846636156 /nfs/dbraw/zinc/63/61/56/846636156.db2.gz AVQPHPRTINTLCI-RISCZKNCSA-N 1 1 399.289 3.694 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501130956 846658987 /nfs/dbraw/zinc/65/89/87/846658987.db2.gz WVNSHDISCKPRRQ-GFCCVEGCSA-N 1 1 399.289 3.553 20 5 GHBDMO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000503043685 846746154 /nfs/dbraw/zinc/74/61/54/846746154.db2.gz SJXSDOHBLKAYKG-KRWDZBQOSA-N 1 1 394.518 3.722 20 5 GHBDMO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000503043685 846746160 /nfs/dbraw/zinc/74/61/60/846746160.db2.gz SJXSDOHBLKAYKG-KRWDZBQOSA-N 1 1 394.518 3.722 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCOC3(C2)CCCCCC3)cccc1[N+](=O)[O-] ZINC000478056686 846929181 /nfs/dbraw/zinc/92/91/81/846929181.db2.gz IHZUGKHOIIFBHG-UHFFFAOYSA-N 1 1 375.469 3.657 20 5 GHBDMO CCN(C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000511106612 846996287 /nfs/dbraw/zinc/99/62/87/846996287.db2.gz LUODYCPWPPBJNS-MRXNPFEDSA-N 1 1 387.455 3.818 20 5 GHBDMO CCN(C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000511106612 846996304 /nfs/dbraw/zinc/99/63/04/846996304.db2.gz LUODYCPWPPBJNS-MRXNPFEDSA-N 1 1 387.455 3.818 20 5 GHBDMO COC(=O)c1cnc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000478280800 847040885 /nfs/dbraw/zinc/04/08/85/847040885.db2.gz CARPIVGWLQOWJG-HNNXBMFYSA-N 1 1 398.463 3.620 20 5 GHBDMO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1Cl ZINC000183786698 847100016 /nfs/dbraw/zinc/10/00/16/847100016.db2.gz NQIAUNTXZAGKSV-NSHDSACASA-N 1 1 377.803 3.627 20 5 GHBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000478506695 847105513 /nfs/dbraw/zinc/10/55/13/847105513.db2.gz KQUBTNSMRWEUKD-KXBFYZLASA-N 1 1 397.475 3.552 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000599832046 861759025 /nfs/dbraw/zinc/75/90/25/861759025.db2.gz SDEWNLVKEOWEDI-IFXJQAMLSA-N 1 1 395.463 3.624 20 5 GHBDMO C[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000511118570 847159794 /nfs/dbraw/zinc/15/97/94/847159794.db2.gz ABXPUVNXUHFWLR-CQSZACIVSA-N 1 1 375.856 3.600 20 5 GHBDMO C[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000511118570 847159802 /nfs/dbraw/zinc/15/98/02/847159802.db2.gz ABXPUVNXUHFWLR-CQSZACIVSA-N 1 1 375.856 3.600 20 5 GHBDMO C[C@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000604094224 861770298 /nfs/dbraw/zinc/77/02/98/861770298.db2.gz FKOJYKSLZOBVLE-KRWDZBQOSA-N 1 1 388.512 3.953 20 5 GHBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000501852061 847258673 /nfs/dbraw/zinc/25/86/73/847258673.db2.gz TVFFBYPJRLIRHM-AWEZNQCLSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000501852061 847258680 /nfs/dbraw/zinc/25/86/80/847258680.db2.gz TVFFBYPJRLIRHM-AWEZNQCLSA-N 1 1 385.247 3.773 20 5 GHBDMO O=C(CC[N@H+](Cc1c(F)cccc1F)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000501940262 847333179 /nfs/dbraw/zinc/33/31/79/847333179.db2.gz XXIVLYXXXXUKRQ-UHFFFAOYSA-N 1 1 375.375 3.866 20 5 GHBDMO O=C(CC[N@@H+](Cc1c(F)cccc1F)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000501940262 847333199 /nfs/dbraw/zinc/33/31/99/847333199.db2.gz XXIVLYXXXXUKRQ-UHFFFAOYSA-N 1 1 375.375 3.866 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000502339442 847771872 /nfs/dbraw/zinc/77/18/72/847771872.db2.gz JAJJCPBDQQMEIL-INIZCTEOSA-N 1 1 384.480 3.906 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1Br ZINC001269385384 847782577 /nfs/dbraw/zinc/78/25/77/847782577.db2.gz QTDXSGADAUNCNU-UHFFFAOYSA-N 1 1 396.216 3.810 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CCO)C2)cc1OC ZINC000611660873 847830416 /nfs/dbraw/zinc/83/04/16/847830416.db2.gz QRTBPJFNXSFXDH-CVEARBPZSA-N 1 1 380.485 3.623 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604127372 861862163 /nfs/dbraw/zinc/86/21/63/861862163.db2.gz VESZZPIQLCWDFI-QFBILLFUSA-N 1 1 382.464 3.620 20 5 GHBDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611712939 848269891 /nfs/dbraw/zinc/26/98/91/848269891.db2.gz SXLWDZPCERZHFD-CQSZACIVSA-N 1 1 381.411 3.560 20 5 GHBDMO COc1cccc(CC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000612123124 848479810 /nfs/dbraw/zinc/47/98/10/848479810.db2.gz LCIPVFLGLXQNRY-MRXNPFEDSA-N 1 1 397.475 3.885 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])s1 ZINC000612133000 848496365 /nfs/dbraw/zinc/49/63/65/848496365.db2.gz RGDXRQPKPHLXMP-BRWVUGGUSA-N 1 1 385.489 3.687 20 5 GHBDMO CSCC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nnc2ccccn21 ZINC000582856906 848571716 /nfs/dbraw/zinc/57/17/16/848571716.db2.gz UICYGJICCXUFAS-JKSUJKDBSA-N 1 1 383.477 3.709 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132268256 861993593 /nfs/dbraw/zinc/99/35/93/861993593.db2.gz ASNYTORLQLQXDM-UNMCSNQZSA-N 1 1 393.487 3.650 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000052209152 849402828 /nfs/dbraw/zinc/40/28/28/849402828.db2.gz AZKPZQOIERGPPO-UHFFFAOYSA-N 1 1 387.484 3.589 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)ccn1 ZINC000856533808 881342319 /nfs/dbraw/zinc/34/23/19/881342319.db2.gz NPSGRDFUQNAGNC-QGZVFWFLSA-N 1 1 390.871 3.753 20 5 GHBDMO COC(=O)/C=C\c1ccc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000732048990 862060194 /nfs/dbraw/zinc/06/01/94/862060194.db2.gz GFHMUAWUGOTSOV-DMIOIOJGSA-N 1 1 383.448 3.713 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000505627374 850213980 /nfs/dbraw/zinc/21/39/80/850213980.db2.gz DJBHHJDJEOAGTB-HXUWFJFHSA-N 1 1 391.537 3.901 20 5 GHBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000435327600 850360263 /nfs/dbraw/zinc/36/02/63/850360263.db2.gz HXVBKCGLZLLWEH-QWRGUYRKSA-N 1 1 399.289 3.612 20 5 GHBDMO COc1ccc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000435428808 850511658 /nfs/dbraw/zinc/51/16/58/850511658.db2.gz SVXNRYSPMBBBPA-LJQANCHMSA-N 1 1 387.505 3.809 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000439869771 850517457 /nfs/dbraw/zinc/51/74/57/850517457.db2.gz KGESGMLESWTRDV-UHFFFAOYSA-N 1 1 398.463 3.733 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487179054 850542687 /nfs/dbraw/zinc/54/26/87/850542687.db2.gz ICZJMDVXLGOSET-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487179054 850542692 /nfs/dbraw/zinc/54/26/92/850542692.db2.gz ICZJMDVXLGOSET-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO CCNc1ccc(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487318984 850673809 /nfs/dbraw/zinc/67/38/09/850673809.db2.gz ZWQAAOVQSFJFDJ-QFBILLFUSA-N 1 1 396.491 3.667 20 5 GHBDMO C[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000732263529 862178678 /nfs/dbraw/zinc/17/86/78/862178678.db2.gz FULUSMJJBDVTCB-AWEZNQCLSA-N 1 1 387.867 3.653 20 5 GHBDMO C[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000732263529 862178684 /nfs/dbraw/zinc/17/86/84/862178684.db2.gz FULUSMJJBDVTCB-AWEZNQCLSA-N 1 1 387.867 3.653 20 5 GHBDMO COc1cccc(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000435931669 851005866 /nfs/dbraw/zinc/00/58/66/851005866.db2.gz YLOBIHDBRXRVPM-AEFFLSMTSA-N 1 1 397.475 3.634 20 5 GHBDMO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000436227873 851342335 /nfs/dbraw/zinc/34/23/35/851342335.db2.gz NUKOCABBKBWKGM-KRWDZBQOSA-N 1 1 391.487 3.925 20 5 GHBDMO C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000425538881 851565698 /nfs/dbraw/zinc/56/56/98/851565698.db2.gz JNSHRCBMOOEHKQ-NBHGPNQESA-N 1 1 394.475 3.572 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000436397150 851570517 /nfs/dbraw/zinc/57/05/17/851570517.db2.gz ZJXUFCJNRMHCKT-INIZCTEOSA-N 1 1 385.464 3.803 20 5 GHBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000436404650 851578115 /nfs/dbraw/zinc/57/81/15/851578115.db2.gz FRCSSLGTVNMOQA-UHFFFAOYSA-N 1 1 399.441 3.516 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000604550558 862273157 /nfs/dbraw/zinc/27/31/57/862273157.db2.gz AAGYIEDULHSBMQ-AWEZNQCLSA-N 1 1 398.488 3.780 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425553284 851917227 /nfs/dbraw/zinc/91/72/27/851917227.db2.gz MAIQMUVYKUZNMW-KSSFIOAISA-N 1 1 398.463 3.987 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000550220083 851992309 /nfs/dbraw/zinc/99/23/09/851992309.db2.gz KQPUWXDLTZEEHK-NWDGAFQWSA-N 1 1 398.301 3.516 20 5 GHBDMO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000383038538 852105267 /nfs/dbraw/zinc/10/52/67/852105267.db2.gz KKUNDVHCWAVXND-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000550264702 852235433 /nfs/dbraw/zinc/23/54/33/852235433.db2.gz RDUHCXNZRXROJE-GFCCVEGCSA-N 1 1 398.301 3.660 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000132937588 862335057 /nfs/dbraw/zinc/33/50/57/862335057.db2.gz ONNIILNSRIDATP-QGZVFWFLSA-N 1 1 388.512 3.781 20 5 GHBDMO CN(C(=O)C[NH2+]C(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000028927034 852283769 /nfs/dbraw/zinc/28/37/69/852283769.db2.gz KKWXQSUQRWGJGT-UHFFFAOYSA-N 1 1 375.428 3.937 20 5 GHBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000425994337 852339952 /nfs/dbraw/zinc/33/99/52/852339952.db2.gz PJJZBJFOIDNCGQ-RYUDHWBXSA-N 1 1 395.253 3.820 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](COc4ccccc4)C3)n2)cc1 ZINC000505885912 852389964 /nfs/dbraw/zinc/38/99/64/852389964.db2.gz XBVYMROZRSSFSY-OAHLLOKOSA-N 1 1 380.404 3.546 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](COc4ccccc4)C3)n2)cc1 ZINC000505885912 852389967 /nfs/dbraw/zinc/38/99/67/852389967.db2.gz XBVYMROZRSSFSY-OAHLLOKOSA-N 1 1 380.404 3.546 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438505682 852505068 /nfs/dbraw/zinc/50/50/68/852505068.db2.gz QJKRROPPGBTPLB-QVKFZJNVSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438505682 852505071 /nfs/dbraw/zinc/50/50/71/852505071.db2.gz QJKRROPPGBTPLB-QVKFZJNVSA-N 1 1 383.448 3.594 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000426048636 852512604 /nfs/dbraw/zinc/51/26/04/852512604.db2.gz JMLSHPUUUKYLKN-CALCHBBNSA-N 1 1 388.512 3.637 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000505919694 852589521 /nfs/dbraw/zinc/58/95/21/852589521.db2.gz ULWSECLINGVSPZ-JKSUJKDBSA-N 1 1 384.480 3.803 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426201692 853006410 /nfs/dbraw/zinc/00/64/10/853006410.db2.gz QDXKVLHYQSVFIB-HMXCVIKNSA-N 1 1 397.475 3.818 20 5 GHBDMO C[C@]1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000490612612 853135941 /nfs/dbraw/zinc/13/59/41/853135941.db2.gz ZQKJGQVCIRACPA-JOCHJYFZSA-N 1 1 381.476 3.698 20 5 GHBDMO Cn1ccnc1[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000519657571 853343504 /nfs/dbraw/zinc/34/35/04/853343504.db2.gz XYBRKIIQVRBAOC-FQEVSTJZSA-N 1 1 385.512 3.662 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000439261756 853481361 /nfs/dbraw/zinc/48/13/61/853481361.db2.gz UTPBAEXXIOARBF-UHFFFAOYSA-N 1 1 394.475 3.747 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c(Cl)c1 ZINC000519776245 853481410 /nfs/dbraw/zinc/48/14/10/853481410.db2.gz FGAYGLSCOAZPMB-LJQANCHMSA-N 1 1 378.831 3.814 20 5 GHBDMO C[C@H](NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570933366 853650447 /nfs/dbraw/zinc/65/04/47/853650447.db2.gz UGMXBDKWWXHFCD-HRAATJIYSA-N 1 1 382.464 3.620 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000184458595 854321248 /nfs/dbraw/zinc/32/12/48/854321248.db2.gz XXQNEURBUCFOKJ-CQSZACIVSA-N 1 1 382.892 3.560 20 5 GHBDMO C[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458882484 854410295 /nfs/dbraw/zinc/41/02/95/854410295.db2.gz AKOFKNOYEZVAME-SQNIBIBYSA-N 1 1 388.512 3.952 20 5 GHBDMO COc1ccc(OCCN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441429422 854605105 /nfs/dbraw/zinc/60/51/05/854605105.db2.gz OSWOUKJTAIFAAK-SFHVURJKSA-N 1 1 399.491 3.579 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000589503044 854911340 /nfs/dbraw/zinc/91/13/40/854911340.db2.gz LORPTYCIJZQQTF-OAHLLOKOSA-N 1 1 386.473 3.996 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000056851740 855098030 /nfs/dbraw/zinc/09/80/30/855098030.db2.gz DRIRPOPDEXZEAJ-QWRGUYRKSA-N 1 1 379.363 3.559 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000589743930 855120809 /nfs/dbraw/zinc/12/08/09/855120809.db2.gz LOZWIDYZFRYNGZ-MISYRCLQSA-N 1 1 389.496 3.637 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301550805 855242501 /nfs/dbraw/zinc/24/25/01/855242501.db2.gz QTKQFVVEWXYAGD-ZIAGYGMSSA-N 1 1 397.317 3.843 20 5 GHBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)cc2[N+](=O)[O-])cc1 ZINC000590447076 855424384 /nfs/dbraw/zinc/42/43/84/855424384.db2.gz YBEBAUBSCWAZDW-VQIMIIECSA-N 1 1 397.500 3.831 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000427590417 855577336 /nfs/dbraw/zinc/57/73/36/855577336.db2.gz ADUFZGKDAWHJCA-WMZOPIPTSA-N 1 1 397.475 3.729 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000591011515 855720668 /nfs/dbraw/zinc/72/06/68/855720668.db2.gz VBQRCSWGJWJCLI-KRWDZBQOSA-N 1 1 388.512 3.510 20 5 GHBDMO C[C@@H]1C[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301610670 855805547 /nfs/dbraw/zinc/80/55/47/855805547.db2.gz CRNTXVVLCGZQFJ-BEFAXECRSA-N 1 1 394.475 3.562 20 5 GHBDMO COc1cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000301611837 855833758 /nfs/dbraw/zinc/83/37/58/855833758.db2.gz FDIYMNOJVIJWMF-UHFFFAOYSA-N 1 1 377.391 3.594 20 5 GHBDMO COc1cc(C[NH2+]Cc2cncc(C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000123150130 855962288 /nfs/dbraw/zinc/96/22/88/855962288.db2.gz RYUFKGCGKVSYRW-UHFFFAOYSA-N 1 1 385.342 3.538 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cc2)c1C ZINC000485063295 856067761 /nfs/dbraw/zinc/06/77/61/856067761.db2.gz RBTWSGMEUQNIDE-UHFFFAOYSA-N 1 1 386.358 3.857 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H]1CC=CCC1 ZINC000485128266 856126650 /nfs/dbraw/zinc/12/66/50/856126650.db2.gz DPXKGNVAUQMHIW-KRWDZBQOSA-N 1 1 375.469 3.537 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000429225001 856129039 /nfs/dbraw/zinc/12/90/39/856129039.db2.gz CODUHIRHOMFBGG-UHFFFAOYSA-N 1 1 379.363 3.660 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1c1ccc(Cl)cc1Cl ZINC000474010522 856253344 /nfs/dbraw/zinc/25/33/44/856253344.db2.gz NMKJGZHQOVLUQZ-OAHLLOKOSA-N 1 1 398.221 3.936 20 5 GHBDMO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845278 856343270 /nfs/dbraw/zinc/34/32/70/856343270.db2.gz AWIRTFJWDCBDMW-CQSZACIVSA-N 1 1 379.258 3.600 20 5 GHBDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845278 856343273 /nfs/dbraw/zinc/34/32/73/856343273.db2.gz AWIRTFJWDCBDMW-CQSZACIVSA-N 1 1 379.258 3.600 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC[N@H+]1C ZINC000485401979 856450950 /nfs/dbraw/zinc/45/09/50/856450950.db2.gz GLQJPZMDTJAVPT-GJZGRUSLSA-N 1 1 385.489 3.959 20 5 GHBDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000281040028 862816305 /nfs/dbraw/zinc/81/63/05/862816305.db2.gz PXRIBVRXZXMLFI-SFHVURJKSA-N 1 1 385.468 3.675 20 5 GHBDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000281040028 862816312 /nfs/dbraw/zinc/81/63/12/862816312.db2.gz PXRIBVRXZXMLFI-SFHVURJKSA-N 1 1 385.468 3.675 20 5 GHBDMO CC(=O)Nc1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592131306 856673723 /nfs/dbraw/zinc/67/37/23/856673723.db2.gz WZYYPHHPRCHGIT-MEMLXQNLSA-N 1 1 397.475 3.859 20 5 GHBDMO Cc1ccc(C[C@H]2CCC[N@H+]2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000733301324 862847452 /nfs/dbraw/zinc/84/74/52/862847452.db2.gz QOFUKDWAPMEXFY-HXUWFJFHSA-N 1 1 377.448 3.826 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000173475139 856952218 /nfs/dbraw/zinc/95/22/18/856952218.db2.gz RIMJABUBYIDPGJ-FQEVSTJZSA-N 1 1 382.464 3.745 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000173475139 856952223 /nfs/dbraw/zinc/95/22/23/856952223.db2.gz RIMJABUBYIDPGJ-FQEVSTJZSA-N 1 1 382.464 3.745 20 5 GHBDMO COc1ccccc1-c1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000488968126 857005390 /nfs/dbraw/zinc/00/53/90/857005390.db2.gz CAVWMPYYLQITCS-UHFFFAOYSA-N 1 1 399.476 3.761 20 5 GHBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000159633932 862863729 /nfs/dbraw/zinc/86/37/29/862863729.db2.gz WUSDNTRUYURQBQ-DZGCQCFKSA-N 1 1 387.411 3.612 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429243779 857133831 /nfs/dbraw/zinc/13/38/31/857133831.db2.gz BZFNPXKLAUCAMS-UHFFFAOYSA-N 1 1 399.495 3.835 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[C@H]1c1ccccc1 ZINC000245788305 857173021 /nfs/dbraw/zinc/17/30/21/857173021.db2.gz NGLKEKRGPDMGHJ-NHCUHLMSSA-N 1 1 394.475 3.714 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000159649040 862896241 /nfs/dbraw/zinc/89/62/41/862896241.db2.gz RPQPDUVTPYEABT-SFHVURJKSA-N 1 1 396.491 3.621 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246409974 857370043 /nfs/dbraw/zinc/37/00/43/857370043.db2.gz QQDVLFYPTBZONN-YZVOILCLSA-N 1 1 389.521 3.551 20 5 GHBDMO O=[N+]([O-])c1ccc(/C=C\c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000521044839 857537132 /nfs/dbraw/zinc/53/71/32/857537132.db2.gz ZQVKDMBKWHKKOH-YHYXMXQVSA-N 1 1 392.415 3.647 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)cc(OC)c1 ZINC000301757293 857559303 /nfs/dbraw/zinc/55/93/03/857559303.db2.gz AAGNKZIJGJAKPC-ZDUSSCGKSA-N 1 1 393.390 3.577 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)cc(OC)c1 ZINC000301757293 857559311 /nfs/dbraw/zinc/55/93/11/857559311.db2.gz AAGNKZIJGJAKPC-ZDUSSCGKSA-N 1 1 393.390 3.577 20 5 GHBDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000301764887 857591204 /nfs/dbraw/zinc/59/12/04/857591204.db2.gz CTRXEIKUBYXLNT-FOIQADDNSA-N 1 1 383.496 3.739 20 5 GHBDMO Cc1c(CC(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000438927331 857754085 /nfs/dbraw/zinc/75/40/85/857754085.db2.gz FOCOMSUNXPOVFK-INIZCTEOSA-N 1 1 397.475 3.805 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129137581 857810287 /nfs/dbraw/zinc/81/02/87/857810287.db2.gz JRZSIWYGHXOHEA-INIZCTEOSA-N 1 1 386.427 3.639 20 5 GHBDMO CN(c1ccccc1)C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000065956281 857892586 /nfs/dbraw/zinc/89/25/86/857892586.db2.gz YBBLVDCLLDBMIR-UHFFFAOYSA-N 1 1 393.447 3.746 20 5 GHBDMO CSc1ccc(C(=O)OC[C@H]2CCC[N@@H+]2Cc2ccco2)cc1[N+](=O)[O-] ZINC000765970936 857924547 /nfs/dbraw/zinc/92/45/47/857924547.db2.gz XOQFPKLVVDPNEZ-CQSZACIVSA-N 1 1 376.434 3.731 20 5 GHBDMO CSc1ccc(C(=O)OC[C@H]2CCC[N@H+]2Cc2ccco2)cc1[N+](=O)[O-] ZINC000765970936 857924553 /nfs/dbraw/zinc/92/45/53/857924553.db2.gz XOQFPKLVVDPNEZ-CQSZACIVSA-N 1 1 376.434 3.731 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)[C@@H]3CCCc4ccccc43)n2)cc1 ZINC000114192679 857935595 /nfs/dbraw/zinc/93/55/95/857935595.db2.gz ZVVDEPDFIQYIAF-LJQANCHMSA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCO)[C@@H]3CCCc4ccccc43)n2)cc1 ZINC000114192679 857935603 /nfs/dbraw/zinc/93/56/03/857935603.db2.gz ZVVDEPDFIQYIAF-LJQANCHMSA-N 1 1 394.431 3.517 20 5 GHBDMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000027374841 857944499 /nfs/dbraw/zinc/94/44/99/857944499.db2.gz JPMQGNYPVHZSEU-IBGZPJMESA-N 1 1 383.448 3.820 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000114425233 858022535 /nfs/dbraw/zinc/02/25/35/858022535.db2.gz GQWGFQGJPDOZOX-ZDUSSCGKSA-N 1 1 399.394 3.679 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000114425233 858022539 /nfs/dbraw/zinc/02/25/39/858022539.db2.gz GQWGFQGJPDOZOX-ZDUSSCGKSA-N 1 1 399.394 3.679 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000543053170 858113827 /nfs/dbraw/zinc/11/38/27/858113827.db2.gz ZEECTCZUCGPLTG-KRWDZBQOSA-N 1 1 399.447 3.514 20 5 GHBDMO CC(C)N1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000114775627 858209503 /nfs/dbraw/zinc/20/95/03/858209503.db2.gz CPDCDTGTCNQTLT-INIZCTEOSA-N 1 1 377.828 3.607 20 5 GHBDMO Cc1[nH+]cn(CCCCc2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)c1C ZINC000594534348 858213401 /nfs/dbraw/zinc/21/34/01/858213401.db2.gz MBBRYCHKJMIDJU-UHFFFAOYSA-N 1 1 394.435 3.886 20 5 GHBDMO CCCc1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1[N+](=O)[O-] ZINC000078775053 858224311 /nfs/dbraw/zinc/22/43/11/858224311.db2.gz YPYBQHFRGGQSBB-OAHLLOKOSA-N 1 1 399.495 3.575 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159803136 863002503 /nfs/dbraw/zinc/00/25/03/863002503.db2.gz HUAPKGXBXGFCAF-AWEZNQCLSA-N 1 1 381.436 3.904 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159803136 863002516 /nfs/dbraw/zinc/00/25/16/863002516.db2.gz HUAPKGXBXGFCAF-AWEZNQCLSA-N 1 1 381.436 3.904 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000595023266 858354367 /nfs/dbraw/zinc/35/43/67/858354367.db2.gz UNWNKVIXIQHIRP-MEDUHNTESA-N 1 1 395.253 3.750 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000595050992 858380130 /nfs/dbraw/zinc/38/01/30/858380130.db2.gz WINCQXUOHHZZOK-PXNSSMCTSA-N 1 1 399.491 3.545 20 5 GHBDMO Cc1noc(C[NH2+][C@@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000595454065 858536921 /nfs/dbraw/zinc/53/69/21/858536921.db2.gz IAGSSFSBYOGVIX-CRAIPNDOSA-N 1 1 396.850 3.997 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000593019709 858539424 /nfs/dbraw/zinc/53/94/24/858539424.db2.gz JEJLXIVPYHCNAI-LLVKDONJSA-N 1 1 380.347 3.834 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1 ZINC000575116313 858569881 /nfs/dbraw/zinc/56/98/81/858569881.db2.gz WQJSFNXDMSLKKZ-QGZVFWFLSA-N 1 1 391.880 3.757 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000067646716 858646397 /nfs/dbraw/zinc/64/63/97/858646397.db2.gz RVDLBBSTUWCSBV-CYBMUJFWSA-N 1 1 397.410 3.788 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000595762949 858662178 /nfs/dbraw/zinc/66/21/78/858662178.db2.gz CZMXYHUSEMHGHQ-NRFANRHFSA-N 1 1 384.432 3.634 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595764329 858662242 /nfs/dbraw/zinc/66/22/42/858662242.db2.gz GYZUTNVJOSSRIE-VFNWGFHPSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595764329 858662245 /nfs/dbraw/zinc/66/22/45/858662245.db2.gz GYZUTNVJOSSRIE-VFNWGFHPSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000595766969 858664192 /nfs/dbraw/zinc/66/41/92/858664192.db2.gz NVSNSJQYPHLKSB-NRFANRHFSA-N 1 1 383.448 3.514 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000595766969 858664195 /nfs/dbraw/zinc/66/41/95/858664195.db2.gz NVSNSJQYPHLKSB-NRFANRHFSA-N 1 1 383.448 3.514 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595829800 858702306 /nfs/dbraw/zinc/70/23/06/858702306.db2.gz YXDOCFZISPTKIZ-BEFAXECRSA-N 1 1 393.447 3.917 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000595880727 858705001 /nfs/dbraw/zinc/70/50/01/858705001.db2.gz OEZLRWWFYHIAAP-INIZCTEOSA-N 1 1 383.448 3.594 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000595913240 858717678 /nfs/dbraw/zinc/71/76/78/858717678.db2.gz FQQDCIFPGJYCJE-TZMCWYRMSA-N 1 1 375.450 3.779 20 5 GHBDMO Cc1ccc([C@@H](CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000843782991 858772564 /nfs/dbraw/zinc/77/25/64/858772564.db2.gz CTJXLZAXNIEBEY-MRXNPFEDSA-N 1 1 375.400 3.511 20 5 GHBDMO Cc1ccc(CN(C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000429260419 858844768 /nfs/dbraw/zinc/84/47/68/858844768.db2.gz MUSFPLXMSJHPAT-UHFFFAOYSA-N 1 1 381.476 3.919 20 5 GHBDMO CC(C)[C@@H](CNC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429264990 858865954 /nfs/dbraw/zinc/86/59/54/858865954.db2.gz QVKGRCGUBDCARB-GOSISDBHSA-N 1 1 383.492 3.976 20 5 GHBDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543208391 858891473 /nfs/dbraw/zinc/89/14/73/858891473.db2.gz BAYUIRFGZSQXPB-SFHVURJKSA-N 1 1 390.505 3.712 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCc2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC001170329863 881367570 /nfs/dbraw/zinc/36/75/70/881367570.db2.gz WDXYCLLKMZUPBH-OAHLLOKOSA-N 1 1 388.464 3.726 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000596634129 858988714 /nfs/dbraw/zinc/98/87/14/858988714.db2.gz ULZKMNUZDBVUJZ-UHFFFAOYSA-N 1 1 378.432 3.933 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000596634129 858988721 /nfs/dbraw/zinc/98/87/21/858988721.db2.gz ULZKMNUZDBVUJZ-UHFFFAOYSA-N 1 1 378.432 3.933 20 5 GHBDMO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487432993 859027942 /nfs/dbraw/zinc/02/79/42/859027942.db2.gz XOZYLROWQQQQKO-AEFFLSMTSA-N 1 1 399.516 3.714 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499698333 859059473 /nfs/dbraw/zinc/05/94/73/859059473.db2.gz SPPHPADNCDBUFM-OAHLLOKOSA-N 1 1 388.493 3.713 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000596841463 859120638 /nfs/dbraw/zinc/12/06/38/859120638.db2.gz DKSFUPVZDQDFES-IBGZPJMESA-N 1 1 382.464 3.684 20 5 GHBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543643385 859179533 /nfs/dbraw/zinc/17/95/33/859179533.db2.gz CCXMAYKPRYAKGB-ZBFHGGJFSA-N 1 1 386.427 3.766 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)c(F)c1 ZINC000466362371 859227468 /nfs/dbraw/zinc/22/74/68/859227468.db2.gz MQQKLEVOIZALIP-UHFFFAOYSA-N 1 1 379.819 3.514 20 5 GHBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543313620 859234043 /nfs/dbraw/zinc/23/40/43/859234043.db2.gz IAXLTILGRXCAJN-SFHVURJKSA-N 1 1 396.491 3.760 20 5 GHBDMO CCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249294384 859293302 /nfs/dbraw/zinc/29/33/02/859293302.db2.gz LSDUCRPULBNRAT-DYESRHJHSA-N 1 1 396.491 3.962 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000069016435 859295410 /nfs/dbraw/zinc/29/54/10/859295410.db2.gz WLUAHUBTXWRXLC-GOSISDBHSA-N 1 1 382.464 3.937 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597231177 859366775 /nfs/dbraw/zinc/36/67/75/859366775.db2.gz NYZJHWXGFPHSGV-RTBURBONSA-N 1 1 398.459 3.651 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)s1 ZINC000597252012 859398265 /nfs/dbraw/zinc/39/82/65/859398265.db2.gz HGFPCODVCFVMNM-QZDDGCDVSA-N 1 1 387.461 3.731 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)s1 ZINC000597252012 859398271 /nfs/dbraw/zinc/39/82/71/859398271.db2.gz HGFPCODVCFVMNM-QZDDGCDVSA-N 1 1 387.461 3.731 20 5 GHBDMO CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127775669 859486089 /nfs/dbraw/zinc/48/60/89/859486089.db2.gz GIZVVHUGCWIPLL-BHDDXSALSA-N 1 1 393.487 3.821 20 5 GHBDMO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185184506 859671734 /nfs/dbraw/zinc/67/17/34/859671734.db2.gz TWLCAGBOGSVPBG-AEFFLSMTSA-N 1 1 399.466 3.518 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000552079076 859723556 /nfs/dbraw/zinc/72/35/56/859723556.db2.gz PAJMNZLEVULRRL-HNNXBMFYSA-N 1 1 388.464 3.931 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000129660983 859797313 /nfs/dbraw/zinc/79/73/13/859797313.db2.gz LBQUKJOGLWTXAE-SJKOYZFVSA-N 1 1 377.441 3.608 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000466518026 859818522 /nfs/dbraw/zinc/81/85/22/859818522.db2.gz XZBNPJYVXQIMSV-ZWOKBUDYSA-N 1 1 396.491 3.926 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597855020 859873990 /nfs/dbraw/zinc/87/39/90/859873990.db2.gz PBLAICDGAJAQEJ-ZDUSSCGKSA-N 1 1 388.493 3.569 20 5 GHBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000092145999 859998718 /nfs/dbraw/zinc/99/87/18/859998718.db2.gz AJYQLNGRHLGXPI-UHFFFAOYSA-N 1 1 399.438 3.667 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000252735625 860005958 /nfs/dbraw/zinc/00/59/58/860005958.db2.gz PIKFBWAWCGZOTO-DLBZAZTESA-N 1 1 396.491 3.870 20 5 GHBDMO CC(C)(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000727437598 860077274 /nfs/dbraw/zinc/07/72/74/860077274.db2.gz MDOGFCPLUYQASZ-UHFFFAOYSA-N 1 1 375.391 3.551 20 5 GHBDMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000092588881 860082206 /nfs/dbraw/zinc/08/22/06/860082206.db2.gz BOVLVMATCHNJBY-INIZCTEOSA-N 1 1 387.411 3.756 20 5 GHBDMO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123929228 860152081 /nfs/dbraw/zinc/15/20/81/860152081.db2.gz PTJNXBMCLADXHR-BZNIZROVSA-N 1 1 397.859 3.872 20 5 GHBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123929228 860152091 /nfs/dbraw/zinc/15/20/91/860152091.db2.gz PTJNXBMCLADXHR-BZNIZROVSA-N 1 1 397.859 3.872 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000602632447 860184935 /nfs/dbraw/zinc/18/49/35/860184935.db2.gz JDQBFDRUPQIBKQ-MFKMUULPSA-N 1 1 386.292 3.749 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000602632447 860184944 /nfs/dbraw/zinc/18/49/44/860184944.db2.gz JDQBFDRUPQIBKQ-MFKMUULPSA-N 1 1 386.292 3.749 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000602660462 860196414 /nfs/dbraw/zinc/19/64/14/860196414.db2.gz DBIDDAHEBYUBBU-JQWIXIFHSA-N 1 1 386.292 3.606 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000602660462 860196421 /nfs/dbraw/zinc/19/64/21/860196421.db2.gz DBIDDAHEBYUBBU-JQWIXIFHSA-N 1 1 386.292 3.606 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Br ZINC000602675823 860210639 /nfs/dbraw/zinc/21/06/39/860210639.db2.gz OQVKUWRYOXAUDW-RAIGVLPGSA-N 1 1 375.288 3.544 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Br ZINC000602675823 860210650 /nfs/dbraw/zinc/21/06/50/860210650.db2.gz OQVKUWRYOXAUDW-RAIGVLPGSA-N 1 1 375.288 3.544 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[N@H+]1C ZINC000124086374 860225939 /nfs/dbraw/zinc/22/59/39/860225939.db2.gz NXMABBKAILUGCZ-JKSUJKDBSA-N 1 1 383.448 3.942 20 5 GHBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000093282278 860242033 /nfs/dbraw/zinc/24/20/33/860242033.db2.gz NPRAYRZHHONWAE-ZDUSSCGKSA-N 1 1 399.438 3.571 20 5 GHBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000093282278 860242039 /nfs/dbraw/zinc/24/20/39/860242039.db2.gz NPRAYRZHHONWAE-ZDUSSCGKSA-N 1 1 399.438 3.571 20 5 GHBDMO Cn1cc(C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)c([N+](=O)[O-])n1 ZINC000602812343 860293792 /nfs/dbraw/zinc/29/37/92/860293792.db2.gz PHGNYRAIAPJVQT-HNNXBMFYSA-N 1 1 397.248 3.861 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(-c4ccccn4)c3)C2)nc1 ZINC000093534567 860297318 /nfs/dbraw/zinc/29/73/18/860297318.db2.gz SDZOTBZMOCWWGW-SFHVURJKSA-N 1 1 375.432 3.738 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnc(-c4cccs4)s3)C2)nc1 ZINC000093534547 860297528 /nfs/dbraw/zinc/29/75/28/860297528.db2.gz KSHQMBZDMLWVCC-LBPRGKRZSA-N 1 1 387.490 3.861 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnc(-c4cccs4)s3)C2)nc1 ZINC000093534547 860297535 /nfs/dbraw/zinc/29/75/35/860297535.db2.gz KSHQMBZDMLWVCC-LBPRGKRZSA-N 1 1 387.490 3.861 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000154942461 860337126 /nfs/dbraw/zinc/33/71/26/860337126.db2.gz RSSRONMSWMVVJA-WMZOPIPTSA-N 1 1 382.464 3.807 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000154942461 860337132 /nfs/dbraw/zinc/33/71/32/860337132.db2.gz RSSRONMSWMVVJA-WMZOPIPTSA-N 1 1 382.464 3.807 20 5 GHBDMO COc1cc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1F ZINC000602923274 860370851 /nfs/dbraw/zinc/37/08/51/860370851.db2.gz CSCUZIRIPDVVQE-HNNXBMFYSA-N 1 1 386.782 3.748 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000494330249 881534231 /nfs/dbraw/zinc/53/42/31/881534231.db2.gz OENOFDYYYWGZKP-PZJWPPBQSA-N 1 1 395.459 3.530 20 5 GHBDMO COC(=O)CCC[N@@H+](Cc1ccccc1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761292747 860656355 /nfs/dbraw/zinc/65/63/55/860656355.db2.gz MTHKJJMWSFHIBC-UHFFFAOYSA-N 1 1 396.447 3.666 20 5 GHBDMO COC(=O)CCC[N@H+](Cc1ccccc1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761292747 860656361 /nfs/dbraw/zinc/65/63/61/860656361.db2.gz MTHKJJMWSFHIBC-UHFFFAOYSA-N 1 1 396.447 3.666 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598962298 860691871 /nfs/dbraw/zinc/69/18/71/860691871.db2.gz GDYIWXZGUOBXSH-UHFFFAOYSA-N 1 1 378.450 3.910 20 5 GHBDMO CC1(C)C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2cc(F)ccc2O1 ZINC000593674559 860787566 /nfs/dbraw/zinc/78/75/66/860787566.db2.gz YBDVPCUJUITBNG-OAHLLOKOSA-N 1 1 388.395 3.897 20 5 GHBDMO C[C@@H](CCO)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593694429 860908426 /nfs/dbraw/zinc/90/84/26/860908426.db2.gz MIIJETXVAKYNBZ-INIZCTEOSA-N 1 1 380.448 3.650 20 5 GHBDMO C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000557039191 881610217 /nfs/dbraw/zinc/61/02/17/881610217.db2.gz YINXKOOYKZRZFS-VQIMIIECSA-N 1 1 381.476 3.652 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000609192600 881613200 /nfs/dbraw/zinc/61/32/00/881613200.db2.gz UHIIONPUTNGWTE-UHFFFAOYSA-N 1 1 397.475 3.730 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000609192600 881613204 /nfs/dbraw/zinc/61/32/04/881613204.db2.gz UHIIONPUTNGWTE-UHFFFAOYSA-N 1 1 397.475 3.730 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302045284 861183939 /nfs/dbraw/zinc/18/39/39/861183939.db2.gz UDYSHRLPOXWRMM-ZDUSSCGKSA-N 1 1 387.311 3.508 20 5 GHBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000522709218 863118803 /nfs/dbraw/zinc/11/88/03/863118803.db2.gz AXFKQGMVUKHQRN-OAHLLOKOSA-N 1 1 384.436 3.850 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@]3(CO)CCCc4ccccc43)co2)cc1 ZINC000281723029 863339280 /nfs/dbraw/zinc/33/92/80/863339280.db2.gz PITUCYQYFFMRBF-OAQYLSRUSA-N 1 1 379.416 3.564 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)nc1-c1ccncc1 ZINC000172896525 864092108 /nfs/dbraw/zinc/09/21/08/864092108.db2.gz FZUUETTUKYUXOG-GOSISDBHSA-N 1 1 381.411 3.657 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)nc1-c1ccncc1 ZINC000172896525 864092121 /nfs/dbraw/zinc/09/21/21/864092121.db2.gz FZUUETTUKYUXOG-GOSISDBHSA-N 1 1 381.411 3.657 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000843800614 864108120 /nfs/dbraw/zinc/10/81/20/864108120.db2.gz UBYLBJFEYFMJML-GDBMZVCRSA-N 1 1 377.460 3.769 20 5 GHBDMO COc1cc(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000734300740 864135062 /nfs/dbraw/zinc/13/50/62/864135062.db2.gz ULVOLHBLOOVFHN-KRWDZBQOSA-N 1 1 384.432 3.672 20 5 GHBDMO Cc1cc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000072097690 864482798 /nfs/dbraw/zinc/48/27/98/864482798.db2.gz YNYRZASZJPNSFB-HNNXBMFYSA-N 1 1 396.491 3.647 20 5 GHBDMO CCc1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000173317803 864612291 /nfs/dbraw/zinc/61/22/91/864612291.db2.gz UPXKPGZKDRVRHI-UHFFFAOYSA-N 1 1 382.464 3.551 20 5 GHBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000735210087 864670326 /nfs/dbraw/zinc/67/03/26/864670326.db2.gz IOKNXIMXGOXOQM-HXUWFJFHSA-N 1 1 383.448 3.605 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475306952 864746483 /nfs/dbraw/zinc/74/64/83/864746483.db2.gz WUCMFCKRTWNLRV-LPHOPBHVSA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@@H+]1CCc2ccccc2C1 ZINC000025941945 864811323 /nfs/dbraw/zinc/81/13/23/864811323.db2.gz BEMOWOGWBGEBPX-CQSZACIVSA-N 1 1 395.484 3.986 20 5 GHBDMO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@H+]1CCc2ccccc2C1 ZINC000025941945 864811344 /nfs/dbraw/zinc/81/13/44/864811344.db2.gz BEMOWOGWBGEBPX-CQSZACIVSA-N 1 1 395.484 3.986 20 5 GHBDMO COc1ccc(C[N@H+](C)Cc2ccnn2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475339559 864814254 /nfs/dbraw/zinc/81/42/54/864814254.db2.gz ZLMOGYACWGVBAU-UHFFFAOYSA-N 1 1 396.447 3.548 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2ccnn2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475339559 864814268 /nfs/dbraw/zinc/81/42/68/864814268.db2.gz ZLMOGYACWGVBAU-UHFFFAOYSA-N 1 1 396.447 3.548 20 5 GHBDMO COc1ccc([C@H]2[C@@H](COC(=O)c3cccc([N+](=O)[O-])c3C)CC[N@H+]2C)cc1 ZINC000735905786 865046259 /nfs/dbraw/zinc/04/62/59/865046259.db2.gz WAIDFBOHAQNMOY-UZLBHIALSA-N 1 1 384.432 3.762 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000063840243 865452327 /nfs/dbraw/zinc/45/23/27/865452327.db2.gz OQZXURMFTXBRFJ-MRXNPFEDSA-N 1 1 387.867 3.890 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000609025841 865904493 /nfs/dbraw/zinc/90/44/93/865904493.db2.gz VPTADPHXOOCHOV-CQSZACIVSA-N 1 1 399.447 3.608 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000555348723 865951699 /nfs/dbraw/zinc/95/16/99/865951699.db2.gz DXTXDDVBRXBCQM-CALCHBBNSA-N 1 1 390.823 3.640 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000555348723 865951707 /nfs/dbraw/zinc/95/17/07/865951707.db2.gz DXTXDDVBRXBCQM-CALCHBBNSA-N 1 1 390.823 3.640 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000740803646 866016416 /nfs/dbraw/zinc/01/64/16/866016416.db2.gz WADRIMQCZDENSV-CQSZACIVSA-N 1 1 389.402 3.610 20 5 GHBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2)C[C@@H](C)O1 ZINC000523099180 866224342 /nfs/dbraw/zinc/22/43/42/866224342.db2.gz KXIXVWZQCZUGIT-CHWSQXEVSA-N 1 1 375.450 3.518 20 5 GHBDMO COc1ccc([C@@H]2[C@H](COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC[N@H+]2C)cc1 ZINC000741122017 866246377 /nfs/dbraw/zinc/24/63/77/866246377.db2.gz YZZZUGINZSGAMK-DPNWPGQESA-N 1 1 396.443 3.853 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000552934728 866529870 /nfs/dbraw/zinc/52/98/70/866529870.db2.gz LOSJTXQWYVCVQB-HNNXBMFYSA-N 1 1 398.463 3.620 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[C@H]1c1cccs1 ZINC000741606860 866654261 /nfs/dbraw/zinc/65/42/61/866654261.db2.gz RSPXLQKUNDFNRG-SJCJKPOMSA-N 1 1 377.441 3.608 20 5 GHBDMO COc1c(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000475602190 866681525 /nfs/dbraw/zinc/68/15/25/866681525.db2.gz ARVGYILAYAAJKW-UHFFFAOYSA-N 1 1 397.475 3.588 20 5 GHBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183583070 866885082 /nfs/dbraw/zinc/88/50/82/866885082.db2.gz HYCOVKAUGGRPEA-UHFFFAOYSA-N 1 1 395.419 3.537 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183583070 866885090 /nfs/dbraw/zinc/88/50/90/866885090.db2.gz HYCOVKAUGGRPEA-UHFFFAOYSA-N 1 1 395.419 3.537 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](Cc3ccccc3)CC3(O)CCCC3)nc2c1 ZINC000444635528 866967542 /nfs/dbraw/zinc/96/75/42/866967542.db2.gz DLTRWUDVFIWDQF-UHFFFAOYSA-N 1 1 380.448 3.778 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](Cc3ccccc3)CC3(O)CCCC3)nc2c1 ZINC000444635528 866967554 /nfs/dbraw/zinc/96/75/54/866967554.db2.gz DLTRWUDVFIWDQF-UHFFFAOYSA-N 1 1 380.448 3.778 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000183694700 867252437 /nfs/dbraw/zinc/25/24/37/867252437.db2.gz BHQAUSHXEXMMHI-CQSZACIVSA-N 1 1 399.944 3.825 20 5 GHBDMO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3c([N+](=O)[O-])ncn3C)s2)cc1 ZINC000544466220 867328676 /nfs/dbraw/zinc/32/86/76/867328676.db2.gz AFKUKEYOXGZMHJ-NSHDSACASA-N 1 1 387.465 3.620 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)OCc1ccccc1 ZINC000793293632 882071963 /nfs/dbraw/zinc/07/19/63/882071963.db2.gz BVDDMHBIIVKSEH-GOSISDBHSA-N 1 1 383.448 3.733 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000523533207 867469685 /nfs/dbraw/zinc/46/96/85/867469685.db2.gz XUPWDDPNJUIIBS-AWEZNQCLSA-N 1 1 398.301 3.742 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000444925440 867472848 /nfs/dbraw/zinc/47/28/48/867472848.db2.gz VIJSVLADIIJBSI-OAHLLOKOSA-N 1 1 386.452 3.636 20 5 GHBDMO C[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000553487334 867534041 /nfs/dbraw/zinc/53/40/41/867534041.db2.gz UKQXSLHDCQJYHM-CQSZACIVSA-N 1 1 383.477 3.700 20 5 GHBDMO C[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000742962630 867701104 /nfs/dbraw/zinc/70/11/04/867701104.db2.gz NQAFTQNYXMQIHF-PEKVBPLLSA-N 1 1 379.460 3.731 20 5 GHBDMO Cc1c(Br)c(N(C)CCC[N@@H+](C)Cc2ccco2)ncc1[N+](=O)[O-] ZINC000553708227 867972683 /nfs/dbraw/zinc/97/26/83/867972683.db2.gz OJAJAHQCXGNXGS-UHFFFAOYSA-N 1 1 397.273 3.612 20 5 GHBDMO C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000743257986 867996729 /nfs/dbraw/zinc/99/67/29/867996729.db2.gz KIRJDISHVWAGOX-UHFFFAOYSA-N 1 1 383.782 3.987 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000743257986 867996735 /nfs/dbraw/zinc/99/67/35/867996735.db2.gz KIRJDISHVWAGOX-UHFFFAOYSA-N 1 1 383.782 3.987 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857252813 882146906 /nfs/dbraw/zinc/14/69/06/882146906.db2.gz DSEYQXPHUJIIMY-FQEVSTJZSA-N 1 1 381.476 3.719 20 5 GHBDMO COc1ccccc1C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000523854514 868103599 /nfs/dbraw/zinc/10/35/99/868103599.db2.gz JZRZVFQRFFOAAB-UHFFFAOYSA-N 1 1 375.856 3.575 20 5 GHBDMO Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000743388445 868146167 /nfs/dbraw/zinc/14/61/67/868146167.db2.gz OQVISQHJDOTDBE-NRFANRHFSA-N 1 1 394.475 3.934 20 5 GHBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000479683900 868331036 /nfs/dbraw/zinc/33/10/36/868331036.db2.gz AGGVIVJZENBRCG-OXQOHEQNSA-N 1 1 396.491 3.756 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H](c4cccc(O)c4)C3)o2)c1 ZINC000121569405 868445605 /nfs/dbraw/zinc/44/56/05/868445605.db2.gz RZHNZMSNSKHIOC-FQEVSTJZSA-N 1 1 395.415 3.571 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](c4cccc(O)c4)C3)o2)c1 ZINC000121569405 868445637 /nfs/dbraw/zinc/44/56/37/868445637.db2.gz RZHNZMSNSKHIOC-FQEVSTJZSA-N 1 1 395.415 3.571 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000535361688 868624599 /nfs/dbraw/zinc/62/45/99/868624599.db2.gz FYEYJQAECNGCIH-RTWAWAEBSA-N 1 1 396.491 3.662 20 5 GHBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000535368334 868639017 /nfs/dbraw/zinc/63/90/17/868639017.db2.gz DSDRHNRBZZODID-UHFFFAOYSA-N 1 1 398.507 3.733 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000621108682 868722702 /nfs/dbraw/zinc/72/27/02/868722702.db2.gz GKDPMGIXXOYUCK-KRWDZBQOSA-N 1 1 389.499 3.533 20 5 GHBDMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000122229185 869126155 /nfs/dbraw/zinc/12/61/55/869126155.db2.gz WROIYOBEJAFMII-IRXDYDNUSA-N 1 1 397.475 3.775 20 5 GHBDMO CC[N@@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000442961975 869163781 /nfs/dbraw/zinc/16/37/81/869163781.db2.gz JUOITKIJYTWJBT-MRXNPFEDSA-N 1 1 389.839 3.751 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@H]1C ZINC000462490060 869549617 /nfs/dbraw/zinc/54/96/17/869549617.db2.gz MZXDSXQRSSFTQJ-SJLPKXTDSA-N 1 1 384.480 3.878 20 5 GHBDMO COc1cc(C[N@@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539826557 869858877 /nfs/dbraw/zinc/85/88/77/869858877.db2.gz UVMOHJGECKCEGX-UHFFFAOYSA-N 1 1 394.415 3.872 20 5 GHBDMO COc1cc(C[N@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539826557 869858889 /nfs/dbraw/zinc/85/88/89/869858889.db2.gz UVMOHJGECKCEGX-UHFFFAOYSA-N 1 1 394.415 3.872 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000446493899 869928649 /nfs/dbraw/zinc/92/86/49/869928649.db2.gz IMDZXKBIJUDWOJ-UZLBHIALSA-N 1 1 382.464 3.935 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000539927349 870020878 /nfs/dbraw/zinc/02/08/78/870020878.db2.gz NOAIMVUNYAVTPD-CQSZACIVSA-N 1 1 394.468 3.556 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000539927349 870020892 /nfs/dbraw/zinc/02/08/92/870020892.db2.gz NOAIMVUNYAVTPD-CQSZACIVSA-N 1 1 394.468 3.556 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1)CC1CC1 ZINC000462762887 870023276 /nfs/dbraw/zinc/02/32/76/870023276.db2.gz CGKSVMNNOAXEFF-UHFFFAOYSA-N 1 1 388.512 3.611 20 5 GHBDMO CNc1c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cccc1[N+](=O)[O-] ZINC000462763718 870026194 /nfs/dbraw/zinc/02/61/94/870026194.db2.gz DVVALDCJVUHPBG-CYBMUJFWSA-N 1 1 379.420 3.622 20 5 GHBDMO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000441071908 870162495 /nfs/dbraw/zinc/16/24/95/870162495.db2.gz VWQJSXISSAIIQY-HTAPYJJXSA-N 1 1 376.460 3.870 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](O)C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462865820 870244786 /nfs/dbraw/zinc/24/47/86/870244786.db2.gz FQTNZEXQBHWXCC-HXUWFJFHSA-N 1 1 386.448 3.528 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001192270979 870254409 /nfs/dbraw/zinc/25/44/09/870254409.db2.gz ABIDMZGCKZKUGL-NRFANRHFSA-N 1 1 376.460 3.942 20 5 GHBDMO O=C(CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCc2ccccc21 ZINC001192389608 870340569 /nfs/dbraw/zinc/34/05/69/870340569.db2.gz HFGLYXJRVXJFEO-UHFFFAOYSA-N 1 1 379.460 3.929 20 5 GHBDMO CCc1oc2ccccc2c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000538719185 870414702 /nfs/dbraw/zinc/41/47/02/870414702.db2.gz QOYUOTYOVQMZHQ-UHFFFAOYSA-N 1 1 393.443 3.861 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000538797984 870628522 /nfs/dbraw/zinc/62/85/22/870628522.db2.gz HSCYVJZMZZIYNX-KKSFZXQISA-N 1 1 392.459 3.650 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1cccs1 ZINC000525572833 870992231 /nfs/dbraw/zinc/99/22/31/870992231.db2.gz HLUDWVYGGNYTGK-LIRRHRJNSA-N 1 1 398.488 3.951 20 5 GHBDMO CC(C)[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001169010010 871094225 /nfs/dbraw/zinc/09/42/25/871094225.db2.gz AGWKRHANCJTUKJ-KURKYZTESA-N 1 1 383.533 3.932 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169010259 871094255 /nfs/dbraw/zinc/09/42/55/871094255.db2.gz BYYKBTNGZVIKQN-RDGPPVDQSA-N 1 1 395.544 3.791 20 5 GHBDMO O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035858 871113838 /nfs/dbraw/zinc/11/38/38/871113838.db2.gz DMQYVILNOQSTMN-QIJUGHKUSA-N 1 1 394.471 3.602 20 5 GHBDMO O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035858 871113845 /nfs/dbraw/zinc/11/38/45/871113845.db2.gz DMQYVILNOQSTMN-QIJUGHKUSA-N 1 1 394.471 3.602 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)C1CC1 ZINC000539121670 871350407 /nfs/dbraw/zinc/35/04/07/871350407.db2.gz BDHMVMVSYRWWNP-KRWDZBQOSA-N 1 1 381.411 3.630 20 5 GHBDMO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001193898842 871385058 /nfs/dbraw/zinc/38/50/58/871385058.db2.gz QYLHKMJDLRRKLH-HNNXBMFYSA-N 1 1 398.246 3.817 20 5 GHBDMO COc1ccc(OCC[NH+]2CCC(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000441245388 871485925 /nfs/dbraw/zinc/48/59/25/871485925.db2.gz MPBMOLNVZONTTE-UHFFFAOYSA-N 1 1 384.432 3.577 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000618571809 871737979 /nfs/dbraw/zinc/73/79/79/871737979.db2.gz ZZZCIVSCTVOEQU-ZKTXZKFHSA-N 1 1 381.476 3.759 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000618571809 871737984 /nfs/dbraw/zinc/73/79/84/871737984.db2.gz ZZZCIVSCTVOEQU-ZKTXZKFHSA-N 1 1 381.476 3.759 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000618571809 871737994 /nfs/dbraw/zinc/73/79/94/871737994.db2.gz ZZZCIVSCTVOEQU-ZKTXZKFHSA-N 1 1 381.476 3.759 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552047053 871933239 /nfs/dbraw/zinc/93/32/39/871933239.db2.gz YLPBFVCRENFLEF-WOJBJXKFSA-N 1 1 385.512 3.662 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552055518 871943464 /nfs/dbraw/zinc/94/34/64/871943464.db2.gz RRZMNYOEFUDWLV-PPSBMQLTSA-N 1 1 386.496 3.991 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(Cl)cccc3OC(F)F)CC2)n1 ZINC000618821867 872008356 /nfs/dbraw/zinc/00/83/56/872008356.db2.gz UPDFPZXQYBXZAZ-UHFFFAOYSA-N 1 1 386.786 3.883 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182208778 872011228 /nfs/dbraw/zinc/01/12/28/872011228.db2.gz LZOCICYJQAJPAG-AWEZNQCLSA-N 1 1 399.944 3.969 20 5 GHBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000101531508 872068496 /nfs/dbraw/zinc/06/84/96/872068496.db2.gz YMNYRBRPFYEVBH-UHFFFAOYSA-N 1 1 385.439 3.515 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447678024 872081827 /nfs/dbraw/zinc/08/18/27/872081827.db2.gz XSUHVHFSJPXCIW-LLVKDONJSA-N 1 1 396.360 3.812 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000766976435 872133521 /nfs/dbraw/zinc/13/35/21/872133521.db2.gz YLTDKNIOGKASQE-UHFFFAOYSA-N 1 1 383.920 3.819 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2CC2CCCC2)c([N+](=O)[O-])c1 ZINC001195637638 872524792 /nfs/dbraw/zinc/52/47/92/872524792.db2.gz ATLKPVJGVUEFJY-INIZCTEOSA-N 1 1 375.469 3.977 20 5 GHBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000767546178 872631231 /nfs/dbraw/zinc/63/12/31/872631231.db2.gz DMLJNOCYHLIIJN-OAHLLOKOSA-N 1 1 386.452 3.583 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCOC2)O1 ZINC000619434232 872646604 /nfs/dbraw/zinc/64/66/04/872646604.db2.gz KVIRJUQMBLBPLC-ORAYPTAESA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCOC2)O1 ZINC000619434232 872646612 /nfs/dbraw/zinc/64/66/12/872646612.db2.gz KVIRJUQMBLBPLC-ORAYPTAESA-N 1 1 392.839 3.888 20 5 GHBDMO O=C(C[N@@H+](C[C@H]1CCCO1)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000152968418 872740635 /nfs/dbraw/zinc/74/06/35/872740635.db2.gz GIAZCLCOFLGIOS-OAHLLOKOSA-N 1 1 381.860 3.610 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000804361375 872940790 /nfs/dbraw/zinc/94/07/90/872940790.db2.gz QLODVXPBSWIPJU-UHFFFAOYSA-N 1 1 392.362 3.858 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)cc1 ZINC000768150939 873099053 /nfs/dbraw/zinc/09/90/53/873099053.db2.gz NEHQYQICRPFTTR-UHFFFAOYSA-N 1 1 377.391 3.561 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000121441872 873153585 /nfs/dbraw/zinc/15/35/85/873153585.db2.gz HXWCAGVPTAJVGD-MRXNPFEDSA-N 1 1 395.463 3.630 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015792 882727350 /nfs/dbraw/zinc/72/73/50/882727350.db2.gz CGVRCSYZKYFIIX-SFHVURJKSA-N 1 1 383.448 3.789 20 5 GHBDMO CCCCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000153028503 874193655 /nfs/dbraw/zinc/19/36/55/874193655.db2.gz RMTKAWLOCPQNGO-UHFFFAOYSA-N 1 1 399.438 3.715 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000770015385 874405576 /nfs/dbraw/zinc/40/55/76/874405576.db2.gz WELZYGNGMVYZGY-LRDDRELGSA-N 1 1 378.860 3.729 20 5 GHBDMO CC(C)[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000770047648 874425037 /nfs/dbraw/zinc/42/50/37/874425037.db2.gz ZDTXXWFAULKSBN-QGZVFWFLSA-N 1 1 378.856 3.899 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000770089766 874451987 /nfs/dbraw/zinc/45/19/87/874451987.db2.gz GVPITGMARWQZEJ-UHFFFAOYSA-N 1 1 395.809 3.648 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775880321 874513303 /nfs/dbraw/zinc/51/33/03/874513303.db2.gz IKASCELSVWNRMA-UHFFFAOYSA-N 1 1 396.491 3.787 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000537650448 882836003 /nfs/dbraw/zinc/83/60/03/882836003.db2.gz FLGMUCBUQYTABU-QGZVFWFLSA-N 1 1 385.464 3.997 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000770327287 874601511 /nfs/dbraw/zinc/60/15/11/874601511.db2.gz RZBOTCORUPNSRN-BLLLJJGKSA-N 1 1 379.258 3.637 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000770327287 874601517 /nfs/dbraw/zinc/60/15/17/874601517.db2.gz RZBOTCORUPNSRN-BLLLJJGKSA-N 1 1 379.258 3.637 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449545451 875011080 /nfs/dbraw/zinc/01/10/80/875011080.db2.gz YTGREWKOIFHKCM-AUUYWEPGSA-N 1 1 382.407 3.868 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000449626400 875148418 /nfs/dbraw/zinc/14/84/18/875148418.db2.gz PNUQBEVJYWATDQ-SZVBFZGTSA-N 1 1 398.488 3.989 20 5 GHBDMO O=c1[nH]ccc(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596077393 875149884 /nfs/dbraw/zinc/14/98/84/875149884.db2.gz QBOVYVJFPALRBC-AWEZNQCLSA-N 1 1 380.807 3.737 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000542232324 875191542 /nfs/dbraw/zinc/19/15/42/875191542.db2.gz YNQOCHUJALTRJZ-AEFFLSMTSA-N 1 1 399.516 3.856 20 5 GHBDMO Cc1[nH+]ccn1CCOC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000771868749 875507133 /nfs/dbraw/zinc/50/71/33/875507133.db2.gz OUNSFPAROYPUQQ-UHFFFAOYSA-N 1 1 380.404 3.569 20 5 GHBDMO Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000491368187 875627013 /nfs/dbraw/zinc/62/70/13/875627013.db2.gz PLVMRILIQUQTSN-SJLPKXTDSA-N 1 1 382.464 3.935 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000450228719 876124367 /nfs/dbraw/zinc/12/43/67/876124367.db2.gz BXMQUTZTCITJPJ-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO C[C@@H](c1ccccc1Cl)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276968 876147863 /nfs/dbraw/zinc/14/78/63/876147863.db2.gz MONRDAQCHWWWGG-MGPUTAFESA-N 1 1 389.883 3.660 20 5 GHBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000450714081 876806409 /nfs/dbraw/zinc/80/64/09/876806409.db2.gz LABPLTBRFWKCEF-UHFFFAOYSA-N 1 1 382.342 3.596 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001170061794 876863503 /nfs/dbraw/zinc/86/35/03/876863503.db2.gz CFGRUPBVAVXTOR-GOSISDBHSA-N 1 1 391.468 3.627 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001170061794 876863506 /nfs/dbraw/zinc/86/35/06/876863506.db2.gz CFGRUPBVAVXTOR-GOSISDBHSA-N 1 1 391.468 3.627 20 5 GHBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492695982 877362761 /nfs/dbraw/zinc/36/27/61/877362761.db2.gz LJNWTFHVWHKDBO-DOTOQJQBSA-N 1 1 377.485 3.510 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610070382 877364908 /nfs/dbraw/zinc/36/49/08/877364908.db2.gz ZLPYTGCTXCSUQU-UHFFFAOYSA-N 1 1 375.513 3.843 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000492697637 877372658 /nfs/dbraw/zinc/37/26/58/877372658.db2.gz RWBLQGOMWBBALG-UHFFFAOYSA-N 1 1 398.459 3.700 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000179449312 877565355 /nfs/dbraw/zinc/56/53/55/877565355.db2.gz VOQXEQCVTWAYIO-DYLHUKMJSA-N 1 1 375.469 3.797 20 5 GHBDMO COc1cccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000192773654 877688445 /nfs/dbraw/zinc/68/84/45/877688445.db2.gz HZEKUMZOQNADKF-INIZCTEOSA-N 1 1 389.496 3.720 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537707118 878105659 /nfs/dbraw/zinc/10/56/59/878105659.db2.gz XQAHRXGFRFKLBX-IBGZPJMESA-N 1 1 381.476 3.867 20 5 GHBDMO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550004 878132132 /nfs/dbraw/zinc/13/21/32/878132132.db2.gz QKEDRBVLUKUXSW-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550004 878132139 /nfs/dbraw/zinc/13/21/39/878132139.db2.gz QKEDRBVLUKUXSW-KRWDZBQOSA-N 1 1 383.448 3.730 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248660113 912317396 /nfs/dbraw/zinc/31/73/96/912317396.db2.gz DCNWOFBKKSBTPV-RBUKOAKNSA-N 1 1 383.496 3.611 20 5 GHBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000776579175 878190651 /nfs/dbraw/zinc/19/06/51/878190651.db2.gz LEOGPEOXRASQJZ-OKZBNKHCSA-N 1 1 397.258 3.525 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000776581677 878200139 /nfs/dbraw/zinc/20/01/39/878200139.db2.gz HCDTZHAYDUQQDN-GOSISDBHSA-N 1 1 399.274 3.820 20 5 GHBDMO C[C@@H]([NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788633838 878224895 /nfs/dbraw/zinc/22/48/95/878224895.db2.gz VGMCZMUCRXGWIK-SVQXRNPESA-N 1 1 382.508 3.984 20 5 GHBDMO C[C@@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788633838 878224912 /nfs/dbraw/zinc/22/49/12/878224912.db2.gz VGMCZMUCRXGWIK-SVQXRNPESA-N 1 1 382.508 3.984 20 5 GHBDMO C[C@@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788633838 878224928 /nfs/dbraw/zinc/22/49/28/878224928.db2.gz VGMCZMUCRXGWIK-SVQXRNPESA-N 1 1 382.508 3.984 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000852319138 878236163 /nfs/dbraw/zinc/23/61/63/878236163.db2.gz ZBOHLGUOIQOQHX-UXHICEINSA-N 1 1 398.459 3.569 20 5 GHBDMO Cc1ccc(CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCO2)cc1 ZINC000776588658 878292322 /nfs/dbraw/zinc/29/23/22/878292322.db2.gz MYXDQINNPZBCDE-VXKWHMMOSA-N 1 1 384.476 3.660 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451855488 878569929 /nfs/dbraw/zinc/56/99/29/878569929.db2.gz OWOXBAGKDRULEH-IBGZPJMESA-N 1 1 385.420 3.752 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)s1 ZINC000852773902 878589240 /nfs/dbraw/zinc/58/92/40/878589240.db2.gz IXFQGCSVRXPENS-LLVKDONJSA-N 1 1 395.868 3.871 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)s1 ZINC000852773902 878589254 /nfs/dbraw/zinc/58/92/54/878589254.db2.gz IXFQGCSVRXPENS-LLVKDONJSA-N 1 1 395.868 3.871 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000538100691 878807352 /nfs/dbraw/zinc/80/73/52/878807352.db2.gz JXQVDGDXQBWUJL-UHFFFAOYSA-N 1 1 391.512 3.580 20 5 GHBDMO COc1cccc2c1CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000180782826 879313435 /nfs/dbraw/zinc/31/34/35/879313435.db2.gz HUUKKJWMLAZPAC-UHFFFAOYSA-N 1 1 378.432 3.562 20 5 GHBDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-n2cccn2)cc1 ZINC000180819852 879374240 /nfs/dbraw/zinc/37/42/40/879374240.db2.gz DRIKTZKQZPSGBG-CQSZACIVSA-N 1 1 390.403 3.681 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854081104 879508755 /nfs/dbraw/zinc/50/87/55/879508755.db2.gz MOWJRFUHSBAHSF-AWEZNQCLSA-N 1 1 379.420 3.683 20 5 GHBDMO O=C1[C@H]([N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCN1Cc1ccccc1 ZINC000790299508 879604786 /nfs/dbraw/zinc/60/47/86/879604786.db2.gz CVSLCMSVZCPSTL-OAQYLSRUSA-N 1 1 379.460 3.750 20 5 GHBDMO O=C1[C@H]([N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCN1Cc1ccccc1 ZINC000790299508 879604788 /nfs/dbraw/zinc/60/47/88/879604788.db2.gz CVSLCMSVZCPSTL-OAQYLSRUSA-N 1 1 379.460 3.750 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1F ZINC000790968974 880112118 /nfs/dbraw/zinc/11/21/18/880112118.db2.gz QXDNVVGHAHSJNC-LJQANCHMSA-N 1 1 385.439 3.683 20 5 GHBDMO O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452855495 880151612 /nfs/dbraw/zinc/15/16/12/880151612.db2.gz PILJWNZDZCIJKX-FPOVZHCZSA-N 1 1 379.460 3.575 20 5 GHBDMO O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452855495 880151617 /nfs/dbraw/zinc/15/16/17/880151617.db2.gz PILJWNZDZCIJKX-FPOVZHCZSA-N 1 1 379.460 3.575 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000286031133 912544013 /nfs/dbraw/zinc/54/40/13/912544013.db2.gz QIUQEPXBMXIJIU-QYZOEREBSA-N 1 1 383.404 3.508 20 5 GHBDMO CC[NH+](CC)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000791881886 880754452 /nfs/dbraw/zinc/75/44/52/880754452.db2.gz BLKOYZULWYRRTG-SFHVURJKSA-N 1 1 387.392 3.629 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000919953102 881241985 /nfs/dbraw/zinc/24/19/85/881241985.db2.gz GAHBAIWVPSWLRY-AWEZNQCLSA-N 1 1 387.823 3.821 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000919953102 881242001 /nfs/dbraw/zinc/24/20/01/881242001.db2.gz GAHBAIWVPSWLRY-AWEZNQCLSA-N 1 1 387.823 3.821 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000919953103 881242946 /nfs/dbraw/zinc/24/29/46/881242946.db2.gz GAHBAIWVPSWLRY-CQSZACIVSA-N 1 1 387.823 3.821 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000919953103 881242960 /nfs/dbraw/zinc/24/29/60/881242960.db2.gz GAHBAIWVPSWLRY-CQSZACIVSA-N 1 1 387.823 3.821 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)NC1CCCC1 ZINC000609544492 883337571 /nfs/dbraw/zinc/33/75/71/883337571.db2.gz NSEYQYYQADLYCO-UHFFFAOYSA-N 1 1 377.828 3.657 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000609774018 883635525 /nfs/dbraw/zinc/63/55/25/883635525.db2.gz OSSBZIJWHAIGAO-OAHLLOKOSA-N 1 1 384.436 3.850 20 5 GHBDMO C[N@H+]1CCC[C@H](CNc2ccncc2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000609797762 883658925 /nfs/dbraw/zinc/65/89/25/883658925.db2.gz RIFFWVWAJIOJRB-RDTXWAMCSA-N 1 1 394.397 3.926 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H](C)C1 ZINC000859417342 883804346 /nfs/dbraw/zinc/80/43/46/883804346.db2.gz QPCCYXNSTSGQPH-HRAATJIYSA-N 1 1 399.491 3.615 20 5 GHBDMO C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+]1CCC[C@H](C)C1 ZINC000498363428 884161883 /nfs/dbraw/zinc/16/18/83/884161883.db2.gz KUVPQNYEIDVLRC-UONOGXRCSA-N 1 1 388.493 3.569 20 5 GHBDMO CC[N@@H+](CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)CCC(F)(F)F ZINC000494917971 884180999 /nfs/dbraw/zinc/18/09/99/884180999.db2.gz ANSDZEBAPDYEMB-UHFFFAOYSA-N 1 1 376.379 3.607 20 5 GHBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)C2)C1 ZINC000897853105 884491326 /nfs/dbraw/zinc/49/13/26/884491326.db2.gz QQHYYPJWJMZWQA-MRXNPFEDSA-N 1 1 390.242 3.599 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000843793548 884551595 /nfs/dbraw/zinc/55/15/95/884551595.db2.gz ZLLQQQILOQFJJE-CQSZACIVSA-N 1 1 387.411 3.688 20 5 GHBDMO CC[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000914703924 884556802 /nfs/dbraw/zinc/55/68/02/884556802.db2.gz KJMDIGXYCXKCGK-SFHVURJKSA-N 1 1 384.505 3.718 20 5 GHBDMO CC[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000914735133 884650300 /nfs/dbraw/zinc/65/03/00/884650300.db2.gz MLUCBPAMNANVAV-DBBZSVRUSA-N 1 1 379.460 3.561 20 5 GHBDMO Cn1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cn1 ZINC000237670761 884779768 /nfs/dbraw/zinc/77/97/68/884779768.db2.gz KRNXXPIJOVRRAM-UHFFFAOYSA-N 1 1 391.225 3.641 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+]Cc2cnn(CC3CCC3)c2)cc1Br ZINC000897430187 884791722 /nfs/dbraw/zinc/79/17/22/884791722.db2.gz RGXCUVIWYSJLCB-UHFFFAOYSA-N 1 1 385.287 3.705 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428554695 884975753 /nfs/dbraw/zinc/97/57/53/884975753.db2.gz SUMUBOQVITUZQE-UOCRBVKVSA-N 1 1 395.503 3.879 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428554695 884975768 /nfs/dbraw/zinc/97/57/68/884975768.db2.gz SUMUBOQVITUZQE-UOCRBVKVSA-N 1 1 395.503 3.879 20 5 GHBDMO CCCn1ccnc1CCC[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000762077003 885346722 /nfs/dbraw/zinc/34/67/22/885346722.db2.gz YOSSUEQHCQLNFK-UHFFFAOYSA-N 1 1 382.468 3.587 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001131028371 885644331 /nfs/dbraw/zinc/64/43/31/885644331.db2.gz XBICGVCVFQDHDP-OAQYLSRUSA-N 1 1 381.476 3.506 20 5 GHBDMO CC(C)[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001131028370 885645058 /nfs/dbraw/zinc/64/50/58/885645058.db2.gz XBICGVCVFQDHDP-NRFANRHFSA-N 1 1 381.476 3.506 20 5 GHBDMO COc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000760519399 885760570 /nfs/dbraw/zinc/76/05/70/885760570.db2.gz LGNGLHHFTXKOCC-UHFFFAOYSA-N 1 1 393.390 3.527 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000915309412 886302225 /nfs/dbraw/zinc/30/22/25/886302225.db2.gz ZTTPUZHIBGELDG-UHFFFAOYSA-N 1 1 388.855 3.906 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556868688 886416331 /nfs/dbraw/zinc/41/63/31/886416331.db2.gz AHZYPUNJJQLDJT-QFBILLFUSA-N 1 1 385.512 3.518 20 5 GHBDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537616069 886654495 /nfs/dbraw/zinc/65/44/95/886654495.db2.gz UYFKGSGQGSHTQG-HNNXBMFYSA-N 1 1 392.502 3.804 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001131457294 886786403 /nfs/dbraw/zinc/78/64/03/886786403.db2.gz NVJFVYKTRZHKPF-HXUWFJFHSA-N 1 1 397.475 3.586 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001131457294 886786413 /nfs/dbraw/zinc/78/64/13/886786413.db2.gz NVJFVYKTRZHKPF-HXUWFJFHSA-N 1 1 397.475 3.586 20 5 GHBDMO Cc1cc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000153627264 886804948 /nfs/dbraw/zinc/80/49/48/886804948.db2.gz NUBUYESGBCOETM-GOSISDBHSA-N 1 1 382.464 3.889 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272386324 887354261 /nfs/dbraw/zinc/35/42/61/887354261.db2.gz WCUIQLCBFIWSNN-DOTOQJQBSA-N 1 1 399.516 3.957 20 5 GHBDMO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272489186 887576913 /nfs/dbraw/zinc/57/69/13/887576913.db2.gz DNXQHDTYFALGSY-XPGWFJOJSA-N 1 1 380.448 3.520 20 5 GHBDMO CCOC(=O)c1ccnc(N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1[N+](=O)[O-] ZINC000153325263 887651313 /nfs/dbraw/zinc/65/13/13/887651313.db2.gz HEFHJROFSMGYPN-CYBMUJFWSA-N 1 1 395.419 3.834 20 5 GHBDMO CCOc1ccc(C[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C(C)C)cc1 ZINC000794622597 887689298 /nfs/dbraw/zinc/68/92/98/887689298.db2.gz DEPPWHPETDNCMD-UHFFFAOYSA-N 1 1 385.420 3.770 20 5 GHBDMO CCOc1ccc(C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C(C)C)cc1 ZINC000794622597 887689309 /nfs/dbraw/zinc/68/93/09/887689309.db2.gz DEPPWHPETDNCMD-UHFFFAOYSA-N 1 1 385.420 3.770 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000532682378 887720634 /nfs/dbraw/zinc/72/06/34/887720634.db2.gz JTSRXBSCUHJNCF-GOSISDBHSA-N 1 1 382.464 3.937 20 5 GHBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[N@@H+]1CCc2sccc2C1 ZINC000809911409 887932527 /nfs/dbraw/zinc/93/25/27/887932527.db2.gz NCZMSUJLHQXCKQ-LLVKDONJSA-N 1 1 394.884 3.878 20 5 GHBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[N@H+]1CCc2sccc2C1 ZINC000809911409 887932532 /nfs/dbraw/zinc/93/25/32/887932532.db2.gz NCZMSUJLHQXCKQ-LLVKDONJSA-N 1 1 394.884 3.878 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001132071761 888167198 /nfs/dbraw/zinc/16/71/98/888167198.db2.gz MRMKINMJTSTCLM-MRXNPFEDSA-N 1 1 399.466 3.917 20 5 GHBDMO CCc1nc2c(s1)[C@H]([N@H+](C)Cn1nc(C)c3cc([N+](=O)[O-])cnc31)CCC2 ZINC000763223105 888370588 /nfs/dbraw/zinc/37/05/88/888370588.db2.gz YTOLEDXAHOIVJL-OAHLLOKOSA-N 1 1 386.481 3.634 20 5 GHBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cn1nc(C)c3cc([N+](=O)[O-])cnc31)CCC2 ZINC000763223105 888370602 /nfs/dbraw/zinc/37/06/02/888370602.db2.gz YTOLEDXAHOIVJL-OAHLLOKOSA-N 1 1 386.481 3.634 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C(F)F)c1 ZINC000865668670 888506876 /nfs/dbraw/zinc/50/68/76/888506876.db2.gz OOAHHJJPWFLJPV-MRXNPFEDSA-N 1 1 377.391 3.711 20 5 GHBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000810843063 888934403 /nfs/dbraw/zinc/93/44/03/888934403.db2.gz VELLTKGAMGXRPY-RBUKOAKNSA-N 1 1 395.459 3.991 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000811467336 889627058 /nfs/dbraw/zinc/62/70/58/889627058.db2.gz KJZBGYJANVPJHT-NVXWUHKLSA-N 1 1 390.461 3.531 20 5 GHBDMO C[N@@H+]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1(C)C ZINC001132988832 889911901 /nfs/dbraw/zinc/91/19/01/889911901.db2.gz NKZJZGGGFQYQBK-UHFFFAOYSA-N 1 1 385.489 3.912 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1(C)C ZINC001132988832 889911923 /nfs/dbraw/zinc/91/19/23/889911923.db2.gz NKZJZGGGFQYQBK-UHFFFAOYSA-N 1 1 385.489 3.912 20 5 GHBDMO O=C(C[N@@H+]1CCCCC[C@@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533251005 890092938 /nfs/dbraw/zinc/09/29/38/890092938.db2.gz PKSHUMNYLAMBCN-QGZVFWFLSA-N 1 1 397.431 3.879 20 5 GHBDMO O=C(C[N@H+]1CCCCC[C@@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533251005 890092955 /nfs/dbraw/zinc/09/29/55/890092955.db2.gz PKSHUMNYLAMBCN-QGZVFWFLSA-N 1 1 397.431 3.879 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000533297969 890238301 /nfs/dbraw/zinc/23/83/01/890238301.db2.gz RHASGYKTIKNLMQ-VYDXJSESSA-N 1 1 383.448 3.808 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000533299441 890246443 /nfs/dbraw/zinc/24/64/43/890246443.db2.gz BEMDKZUBJJFEGA-KRWDZBQOSA-N 1 1 385.439 3.936 20 5 GHBDMO COc1cc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])ccc1OCCO ZINC000872026904 891124157 /nfs/dbraw/zinc/12/41/57/891124157.db2.gz IWJWIRDRGBHVJW-CHWSQXEVSA-N 1 1 378.400 3.525 20 5 GHBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000130297407 891161226 /nfs/dbraw/zinc/16/12/26/891161226.db2.gz TZBHRWFGGRHTHQ-UHFFFAOYSA-N 1 1 399.495 3.546 20 5 GHBDMO CC(C)(C)OC1CC(CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000813172311 891334606 /nfs/dbraw/zinc/33/46/06/891334606.db2.gz FEMJUPAOZHZBLS-AVAKVYKDSA-N 1 1 390.480 3.696 20 5 GHBDMO CC(C)(C)OC1CC(CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000813172311 891334622 /nfs/dbraw/zinc/33/46/22/891334622.db2.gz FEMJUPAOZHZBLS-AVAKVYKDSA-N 1 1 390.480 3.696 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(c2cccnc2)CCCC1 ZINC000813174613 891336672 /nfs/dbraw/zinc/33/66/72/891336672.db2.gz ZSUGPHOYCFREKR-FQEVSTJZSA-N 1 1 395.459 3.619 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(c2cccnc2)CCCC1 ZINC000813174613 891336684 /nfs/dbraw/zinc/33/66/84/891336684.db2.gz ZSUGPHOYCFREKR-FQEVSTJZSA-N 1 1 395.459 3.619 20 5 GHBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000497414249 891531977 /nfs/dbraw/zinc/53/19/77/891531977.db2.gz DBTJEONQURLOFN-DLBZAZTESA-N 1 1 381.457 3.637 20 5 GHBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC001134144524 892387281 /nfs/dbraw/zinc/38/72/81/892387281.db2.gz QEKXIALNHZWGMD-AWEZNQCLSA-N 1 1 391.880 3.833 20 5 GHBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC001134144524 892387296 /nfs/dbraw/zinc/38/72/96/892387296.db2.gz QEKXIALNHZWGMD-AWEZNQCLSA-N 1 1 391.880 3.833 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 ZINC000814224702 892417163 /nfs/dbraw/zinc/41/71/63/892417163.db2.gz LWGZVTSGCYUXTB-IBGZPJMESA-N 1 1 377.448 3.863 20 5 GHBDMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001185127780 913682859 /nfs/dbraw/zinc/68/28/59/913682859.db2.gz PWDZHIIKIJFNPI-UHFFFAOYSA-N 1 1 398.850 3.794 20 5 GHBDMO CC[N@H+]1CC[C@H]2OCCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000814905656 893266354 /nfs/dbraw/zinc/26/63/54/893266354.db2.gz MPFSYDZSJRHATI-LSDHHAIUSA-N 1 1 393.793 3.566 20 5 GHBDMO Nc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c([N+](=O)[O-])c1 ZINC000814916030 893291500 /nfs/dbraw/zinc/29/15/00/893291500.db2.gz PAQVZJTYZDRRPA-GOSISDBHSA-N 1 1 396.491 3.518 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3cccc(Cl)c3C2)c([N+](=O)[O-])c1 ZINC000459669036 894030393 /nfs/dbraw/zinc/03/03/93/894030393.db2.gz CEDYVTASZWVUIV-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO CC[N@@H+](CCC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1)CC(C)C ZINC000536892002 894044893 /nfs/dbraw/zinc/04/48/93/894044893.db2.gz BIKUGEFAAIAMQM-UHFFFAOYSA-N 1 1 379.530 3.888 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@H]2C2CCOCC2)o1 ZINC000878381136 894245667 /nfs/dbraw/zinc/24/56/67/894245667.db2.gz QQZWIOGCACIUSY-HNNXBMFYSA-N 1 1 392.843 3.689 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1)C1CC1 ZINC000537131450 894378687 /nfs/dbraw/zinc/37/86/87/894378687.db2.gz HOQQEBDAPQNCAQ-UHFFFAOYSA-N 1 1 378.432 3.965 20 5 GHBDMO CO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C12CCC2 ZINC000878684549 894508685 /nfs/dbraw/zinc/50/86/85/894508685.db2.gz JANROQOXQVBQQH-LSDHHAIUSA-N 1 1 392.843 3.688 20 5 GHBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C12CCC2 ZINC000878684549 894508693 /nfs/dbraw/zinc/50/86/93/894508693.db2.gz JANROQOXQVBQQH-LSDHHAIUSA-N 1 1 392.843 3.688 20 5 GHBDMO COCCC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000879031629 894795569 /nfs/dbraw/zinc/79/55/69/894795569.db2.gz ZRODMSUDTGJJGP-UHFFFAOYSA-N 1 1 380.832 3.547 20 5 GHBDMO Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000564520762 895050890 /nfs/dbraw/zinc/05/08/90/895050890.db2.gz HYZOUOXYIVVGEP-LJQANCHMSA-N 1 1 381.476 3.935 20 5 GHBDMO C[C@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000564714820 895205519 /nfs/dbraw/zinc/20/55/19/895205519.db2.gz NWZRRBDXFDSISF-INIZCTEOSA-N 1 1 381.476 3.651 20 5 GHBDMO COc1cc(CN2CCC(CC[NH3+])CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000565061597 895373916 /nfs/dbraw/zinc/37/39/16/895373916.db2.gz USXAACKKVIIDFD-UHFFFAOYSA-N 1 1 399.491 3.743 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000565297919 895514595 /nfs/dbraw/zinc/51/45/95/895514595.db2.gz RYOUKQUKBNEHFN-AHRSYUTCSA-N 1 1 389.496 3.757 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000880249750 895593666 /nfs/dbraw/zinc/59/36/66/895593666.db2.gz GAPBHFZRGKOCEU-INIZCTEOSA-N 1 1 393.447 3.524 20 5 GHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817424739 895614378 /nfs/dbraw/zinc/61/43/78/895614378.db2.gz SKRABNAWLJXCEE-UYAOXDASSA-N 1 1 379.460 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC[C@@H](C4CCOCC4)C3)o2)cc1 ZINC000880575201 895754815 /nfs/dbraw/zinc/75/48/15/895754815.db2.gz VHAFBSARRZERSU-QGZVFWFLSA-N 1 1 386.452 3.674 20 5 GHBDMO C[N@H+](Cc1cccc(O)c1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000567370269 897099122 /nfs/dbraw/zinc/09/91/22/897099122.db2.gz HQRFVZWDHQVUHS-UHFFFAOYSA-N 1 1 398.200 3.537 20 5 GHBDMO C[N@@H+](Cc1cccc(O)c1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000567370269 897099131 /nfs/dbraw/zinc/09/91/31/897099131.db2.gz HQRFVZWDHQVUHS-UHFFFAOYSA-N 1 1 398.200 3.537 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000567603143 897286126 /nfs/dbraw/zinc/28/61/26/897286126.db2.gz NFTONVANUXXWFG-IXDOHACOSA-N 1 1 391.515 3.778 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000131988956 897625710 /nfs/dbraw/zinc/62/57/10/897625710.db2.gz NIKFJXOBTKOVHS-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000568402695 897808195 /nfs/dbraw/zinc/80/81/95/897808195.db2.gz RHDOAZAWQGWGGF-GOSISDBHSA-N 1 1 397.475 3.636 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)o2)c1 ZINC000289624922 914268579 /nfs/dbraw/zinc/26/85/79/914268579.db2.gz RPCYXOVKLWUCSJ-PXNSSMCTSA-N 1 1 383.448 3.826 20 5 GHBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@@](C)(O)c1ccccc1 ZINC000823612669 899132670 /nfs/dbraw/zinc/13/26/70/899132670.db2.gz LRQVTGONHUXOFI-QGZVFWFLSA-N 1 1 379.254 3.697 20 5 GHBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@@](C)(O)c1ccccc1 ZINC000823612669 899132677 /nfs/dbraw/zinc/13/26/77/899132677.db2.gz LRQVTGONHUXOFI-QGZVFWFLSA-N 1 1 379.254 3.697 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000570129080 899142574 /nfs/dbraw/zinc/14/25/74/899142574.db2.gz KKDSHMBJZRBBIP-UHFFFAOYSA-N 1 1 387.402 3.806 20 5 GHBDMO CCC[N@@H+](CCc1ccccn1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000570485523 899338867 /nfs/dbraw/zinc/33/88/67/899338867.db2.gz GIVHFACCOGINEO-UHFFFAOYSA-N 1 1 379.464 3.845 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000823994778 899345655 /nfs/dbraw/zinc/34/56/55/899345655.db2.gz YDIJINKFVFUQBK-YJBOKZPZSA-N 1 1 397.479 3.694 20 5 GHBDMO Cc1nc(COc2ccc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cc2)no1 ZINC000570822388 899616461 /nfs/dbraw/zinc/61/64/61/899616461.db2.gz GXHDRECEDURCHH-UHFFFAOYSA-N 1 1 382.420 3.540 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000571357961 899841560 /nfs/dbraw/zinc/84/15/60/899841560.db2.gz WJFKLOGNCKYBJP-KRWDZBQOSA-N 1 1 375.375 3.691 20 5 GHBDMO Cc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000571928269 900011567 /nfs/dbraw/zinc/01/15/67/900011567.db2.gz AFFMVGRHQYJFOO-OALUTQOASA-N 1 1 394.475 3.889 20 5 GHBDMO Cc1ccc([C@H](CNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)[NH+]2CCCC2)o1 ZINC000825277634 900087067 /nfs/dbraw/zinc/08/70/67/900087067.db2.gz CXDJEAGZKBRNRS-AWEZNQCLSA-N 1 1 393.390 3.650 20 5 GHBDMO CN(CCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000573310965 900460064 /nfs/dbraw/zinc/46/00/64/900460064.db2.gz AODDKYOZZPLMMW-NRFANRHFSA-N 1 1 393.491 3.924 20 5 GHBDMO CN(CCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000573310966 900461048 /nfs/dbraw/zinc/46/10/48/900461048.db2.gz AODDKYOZZPLMMW-OAQYLSRUSA-N 1 1 393.491 3.924 20 5 GHBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000886060025 900697330 /nfs/dbraw/zinc/69/73/30/900697330.db2.gz RVNZHVQOTOJPSL-OAHLLOKOSA-N 1 1 383.383 3.559 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772904565 900838675 /nfs/dbraw/zinc/83/86/75/900838675.db2.gz MSTNAPUMXZOHBI-WFASDCNBSA-N 1 1 380.286 3.810 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000575910190 901460532 /nfs/dbraw/zinc/46/05/32/901460532.db2.gz KRXPJSXNRFCGTK-MRXNPFEDSA-N 1 1 376.840 3.918 20 5 GHBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000092645174 901503657 /nfs/dbraw/zinc/50/36/57/901503657.db2.gz YWEMWDZKMYWGCA-SOFGYWHQSA-N 1 1 380.492 3.642 20 5 GHBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645174 901503665 /nfs/dbraw/zinc/50/36/65/901503665.db2.gz YWEMWDZKMYWGCA-SOFGYWHQSA-N 1 1 380.492 3.642 20 5 GHBDMO COc1cc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000124589401 902089177 /nfs/dbraw/zinc/08/91/77/902089177.db2.gz WPBAMNHBUUPUKA-OAQYLSRUSA-N 1 1 386.448 3.558 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000778971952 902372812 /nfs/dbraw/zinc/37/28/12/902372812.db2.gz CYJSWGXWUAMPOO-HOTGVXAUSA-N 1 1 393.484 3.599 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000577030301 902447336 /nfs/dbraw/zinc/44/73/36/902447336.db2.gz VGGKHNUDPJLHQM-GOSISDBHSA-N 1 1 389.883 3.945 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000778982362 902494941 /nfs/dbraw/zinc/49/49/41/902494941.db2.gz KXHMIYPWHDMESE-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000778982362 902494951 /nfs/dbraw/zinc/49/49/51/902494951.db2.gz KXHMIYPWHDMESE-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264272875 902983536 /nfs/dbraw/zinc/98/35/36/902983536.db2.gz GSRYMNWSTOTKAF-MRXNPFEDSA-N 1 1 387.867 3.543 20 5 GHBDMO O=C(NCc1ccccc1)C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601101071 903330008 /nfs/dbraw/zinc/33/00/08/903330008.db2.gz LWHPIUJTELQYDW-UHFFFAOYSA-N 1 1 390.443 3.676 20 5 GHBDMO CCOc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC ZINC000601150626 903395106 /nfs/dbraw/zinc/39/51/06/903395106.db2.gz ZWHLUHVLQNHAMH-IBGZPJMESA-N 1 1 394.855 3.653 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000601304335 903555702 /nfs/dbraw/zinc/55/57/02/903555702.db2.gz NLDWWOHKWLJECP-RTBURBONSA-N 1 1 384.480 3.747 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cc(C2CC2)on1 ZINC001146922505 903640858 /nfs/dbraw/zinc/64/08/58/903640858.db2.gz NSZORXPGQHEMMM-UHFFFAOYSA-N 1 1 388.427 3.809 20 5 GHBDMO C[NH+](C)[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000578853637 904183239 /nfs/dbraw/zinc/18/32/39/904183239.db2.gz CJXQPEOLQDVSLL-HNNXBMFYSA-N 1 1 378.226 3.599 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@](C)(O)c1ccccc1 ZINC001171390676 904473491 /nfs/dbraw/zinc/47/34/91/904473491.db2.gz QNDNOYYCTQMEPW-KRWDZBQOSA-N 1 1 379.254 3.697 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@](C)(O)c1ccccc1 ZINC001171390676 904473492 /nfs/dbraw/zinc/47/34/92/904473492.db2.gz QNDNOYYCTQMEPW-KRWDZBQOSA-N 1 1 379.254 3.697 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])n1 ZINC001171841345 905091623 /nfs/dbraw/zinc/09/16/23/905091623.db2.gz NKVUJNWIEDKMQE-KRWDZBQOSA-N 1 1 398.385 3.824 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](COCc4ccccc4)C3)o2)cc1 ZINC000173984607 905177685 /nfs/dbraw/zinc/17/76/85/905177685.db2.gz CSVDUMZPYWWGNQ-KRWDZBQOSA-N 1 1 394.431 3.684 20 5 GHBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174677536 905321478 /nfs/dbraw/zinc/32/14/78/905321478.db2.gz WAAHTWLRITUVBG-LJQANCHMSA-N 1 1 393.447 3.746 20 5 GHBDMO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000779202080 905341301 /nfs/dbraw/zinc/34/13/01/905341301.db2.gz HPSPNONZHOYKRG-UHFFFAOYSA-N 1 1 397.866 3.755 20 5 GHBDMO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000779202080 905341312 /nfs/dbraw/zinc/34/13/12/905341312.db2.gz HPSPNONZHOYKRG-UHFFFAOYSA-N 1 1 397.866 3.755 20 5 GHBDMO O=C1N(CC2CC2)CC[C@]12CCC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172906033 905931328 /nfs/dbraw/zinc/93/13/28/905931328.db2.gz FOKUORQFWIVMQX-OFNKIYASSA-N 1 1 397.519 3.567 20 5 GHBDMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)O2)n1 ZINC001172906057 905931456 /nfs/dbraw/zinc/93/14/56/905931456.db2.gz FXHZEBKGHPHZBP-AFYVEPGGSA-N 1 1 398.463 3.528 20 5 GHBDMO C[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC[C@@]1(O)C(F)(F)F ZINC001172908562 905936035 /nfs/dbraw/zinc/93/60/35/905936035.db2.gz NAWMXAWRIKRCJA-QBIMZIAESA-N 1 1 386.414 3.868 20 5 GHBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1c1ccccc1 ZINC001172913981 905984045 /nfs/dbraw/zinc/98/40/45/905984045.db2.gz WUVJGJXQXCTTLJ-CEMLEFRQSA-N 1 1 394.471 3.731 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCCC(F)(F)[C@H](F)C3)CC2)c(F)c1 ZINC001173009678 906085054 /nfs/dbraw/zinc/08/50/54/906085054.db2.gz HBDVDICDPAZBDA-OAHLLOKOSA-N 1 1 393.356 3.911 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2CC[NH+](CC3CCCC3)CC2)c1F ZINC001173181704 906261387 /nfs/dbraw/zinc/26/13/87/906261387.db2.gz PTBGKWYXCCBSNC-HNNXBMFYSA-N 1 1 393.503 3.918 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c1F ZINC001173182413 906262759 /nfs/dbraw/zinc/26/27/59/906262759.db2.gz RPNUEGQSROGZOT-MEBBXXQBSA-N 1 1 382.329 3.897 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1F ZINC001173187591 906268315 /nfs/dbraw/zinc/26/83/15/906268315.db2.gz ANZHTEHGDQOHRK-BBRMVZONSA-N 1 1 392.402 3.966 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCc3nc(Cl)ccc3C2)c1F ZINC001173187632 906269449 /nfs/dbraw/zinc/26/94/49/906269449.db2.gz BKKLLWANPRGFGN-NSHDSACASA-N 1 1 379.819 3.780 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1F ZINC001173190960 906273001 /nfs/dbraw/zinc/27/30/01/906273001.db2.gz YMPIEJNZYWPTSJ-BEFAXECRSA-N 1 1 387.455 3.662 20 5 GHBDMO COc1ccc(CC2([NH3+])CCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001173221090 906297544 /nfs/dbraw/zinc/29/75/44/906297544.db2.gz FOJPXAPKBSSZKJ-KRWDZBQOSA-N 1 1 383.492 3.570 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001173222413 906301069 /nfs/dbraw/zinc/30/10/69/906301069.db2.gz RMPXHFHFTZELTJ-PCVOSPCESA-N 1 1 375.469 3.515 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001173225780 906309659 /nfs/dbraw/zinc/30/96/59/906309659.db2.gz OSHOTKNWGWUNAZ-MAODMQOUSA-N 1 1 379.460 3.796 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001173233686 906320452 /nfs/dbraw/zinc/32/04/52/906320452.db2.gz MANPMBIIQAOAFU-NXHRZFHOSA-N 1 1 389.496 3.715 20 5 GHBDMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180649754 906810066 /nfs/dbraw/zinc/81/00/66/906810066.db2.gz MHYGTIWNVGKMQS-OXQOHEQNSA-N 1 1 396.447 3.534 20 5 GHBDMO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001174614415 907137659 /nfs/dbraw/zinc/13/76/59/907137659.db2.gz FRFRHCDACMXJCR-KRWDZBQOSA-N 1 1 393.484 3.551 20 5 GHBDMO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001174614415 907137668 /nfs/dbraw/zinc/13/76/68/907137668.db2.gz FRFRHCDACMXJCR-KRWDZBQOSA-N 1 1 393.484 3.551 20 5 GHBDMO Cc1cc(C(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC001175255793 907471041 /nfs/dbraw/zinc/47/10/41/907471041.db2.gz PSXGNNHKTMWYMC-GOSISDBHSA-N 1 1 396.491 3.612 20 5 GHBDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000185452896 907775325 /nfs/dbraw/zinc/77/53/25/907775325.db2.gz UNAKMIBGBKENLT-CQSZACIVSA-N 1 1 399.476 3.585 20 5 GHBDMO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001176185962 907962255 /nfs/dbraw/zinc/96/22/55/907962255.db2.gz UBSLNGLCQKFMEH-UHFFFAOYSA-N 1 1 381.388 3.653 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192929591 908019847 /nfs/dbraw/zinc/01/98/47/908019847.db2.gz GUAFMPVUKONDJN-MRXNPFEDSA-N 1 1 391.418 3.808 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC001176698974 908214975 /nfs/dbraw/zinc/21/49/75/908214975.db2.gz DNWTURMCDIOTKW-KGLIPLIRSA-N 1 1 381.448 3.717 20 5 GHBDMO CCc1ccc2c(c1)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC001177033497 908374771 /nfs/dbraw/zinc/37/47/71/908374771.db2.gz GNHHEFCIHNKRPF-UHFFFAOYSA-N 1 1 383.448 3.553 20 5 GHBDMO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001177592348 908654512 /nfs/dbraw/zinc/65/45/12/908654512.db2.gz WCCRLIGMSPSHIL-FOIQADDNSA-N 1 1 385.439 3.966 20 5 GHBDMO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001177592348 908654519 /nfs/dbraw/zinc/65/45/19/908654519.db2.gz WCCRLIGMSPSHIL-FOIQADDNSA-N 1 1 385.439 3.966 20 5 GHBDMO COc1ccc([C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)cc1 ZINC000193346469 908867178 /nfs/dbraw/zinc/86/71/78/908867178.db2.gz OEXFBHRXBIJFBK-IBGZPJMESA-N 1 1 380.404 3.894 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000194228791 908868526 /nfs/dbraw/zinc/86/85/26/908868526.db2.gz JIYPRMAKWXMLCO-MJGOQNOKSA-N 1 1 396.491 3.786 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000718019114 909078454 /nfs/dbraw/zinc/07/84/54/909078454.db2.gz NVUMJAZDSGPNBP-IBGZPJMESA-N 1 1 387.867 3.889 20 5 GHBDMO C[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C(C)(C)C1 ZINC001178708620 909202414 /nfs/dbraw/zinc/20/24/14/909202414.db2.gz FWCKXBFDGIRZIS-GOSISDBHSA-N 1 1 391.537 3.947 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOCc1ccccc1 ZINC000268378270 909854602 /nfs/dbraw/zinc/85/46/02/909854602.db2.gz XOAVKHUBQFREEF-HNNXBMFYSA-N 1 1 382.420 3.854 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOCc1ccccc1 ZINC000268378270 909854613 /nfs/dbraw/zinc/85/46/13/909854613.db2.gz XOAVKHUBQFREEF-HNNXBMFYSA-N 1 1 382.420 3.854 20 5 GHBDMO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000269072113 910127413 /nfs/dbraw/zinc/12/74/13/910127413.db2.gz ALJUOVRGHSYQRK-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246334639 910239817 /nfs/dbraw/zinc/23/98/17/910239817.db2.gz TVOCJVLMSIEYFU-FGTMMUONSA-N 1 1 397.258 3.525 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270596741 910620927 /nfs/dbraw/zinc/62/09/27/910620927.db2.gz VEFAYQKPZFJIKC-IBGZPJMESA-N 1 1 395.463 3.524 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270596741 910620940 /nfs/dbraw/zinc/62/09/40/910620940.db2.gz VEFAYQKPZFJIKC-IBGZPJMESA-N 1 1 395.463 3.524 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)C1CC2(C1)OCCO2 ZINC001181510042 910809650 /nfs/dbraw/zinc/80/96/50/910809650.db2.gz ZOGOYFRZZAAUBF-UHFFFAOYSA-N 1 1 391.471 3.854 20 5 GHBDMO COc1cccc(C(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000774091868 911374936 /nfs/dbraw/zinc/37/49/36/911374936.db2.gz FANWVMMEKGKUJQ-QGZVFWFLSA-N 1 1 384.432 3.672 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303705064 915061213 /nfs/dbraw/zinc/06/12/13/915061213.db2.gz BQELCYSPXPPANA-RHSMWYFYSA-N 1 1 383.423 3.501 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000303942821 915323869 /nfs/dbraw/zinc/32/38/69/915323869.db2.gz ZBPZQYMLYRAFPM-CQSZACIVSA-N 1 1 388.855 3.986 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000303942821 915323889 /nfs/dbraw/zinc/32/38/89/915323889.db2.gz ZBPZQYMLYRAFPM-CQSZACIVSA-N 1 1 388.855 3.986 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001187739617 915492302 /nfs/dbraw/zinc/49/23/02/915492302.db2.gz BUBXUMXHHYTNLF-UHFFFAOYSA-N 1 1 389.883 3.977 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cc(C2CC2)[nH]n1 ZINC001188394826 915921219 /nfs/dbraw/zinc/92/12/19/915921219.db2.gz AZGHHQSSWKMQKZ-UHFFFAOYSA-N 1 1 387.443 3.544 20 5 GHBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1 ZINC000362336319 917215080 /nfs/dbraw/zinc/21/50/80/917215080.db2.gz ODXQZJRQTLVWIS-PBHICJAKSA-N 1 1 385.489 3.814 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC001190427248 917331945 /nfs/dbraw/zinc/33/19/45/917331945.db2.gz PTKYURYQMIJGRJ-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC001190427248 917331952 /nfs/dbraw/zinc/33/19/52/917331952.db2.gz PTKYURYQMIJGRJ-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])cc1OC ZINC001190778916 917559513 /nfs/dbraw/zinc/55/95/13/917559513.db2.gz BRXUMDQELQTQJB-SFHVURJKSA-N 1 1 385.464 3.994 20 5 GHBDMO Cc1cc(F)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000296662020 918555481 /nfs/dbraw/zinc/55/54/81/918555481.db2.gz GNKNBPPTIBVZMX-CXAGYDPISA-N 1 1 376.432 3.523 20 5 GHBDMO CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000116590722 919511508 /nfs/dbraw/zinc/51/15/08/919511508.db2.gz ACBFCIXMCZYBSK-LJQANCHMSA-N 1 1 396.491 3.694 20 5 GHBDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117334661 919538534 /nfs/dbraw/zinc/53/85/34/919538534.db2.gz IHNVXENOHCDBCM-LBPRGKRZSA-N 1 1 391.374 3.864 20 5 GHBDMO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000800355784 919952662 /nfs/dbraw/zinc/95/26/62/919952662.db2.gz JSMCUSMARPNGMM-CTNGQTDRSA-N 1 1 383.448 3.512 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000900820687 920634862 /nfs/dbraw/zinc/63/48/62/920634862.db2.gz ACSGVLJWHZHPKQ-CABZTGNLSA-N 1 1 392.258 3.843 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc4cc(C(F)(F)F)ccc4o3)CC2)n1 ZINC000365506248 920880643 /nfs/dbraw/zinc/88/06/43/920880643.db2.gz DSQRSZNASRDVIH-UHFFFAOYSA-N 1 1 395.341 3.788 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3ccc(N)cc3[N+](=O)[O-])CC2)cs1 ZINC000367715745 922279654 /nfs/dbraw/zinc/27/96/54/922279654.db2.gz LNKPOFLVWVHXLF-UHFFFAOYSA-N 1 1 375.498 3.520 20 5 GHBDMO CC(C)(C)[N@H+]1C[C@@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)[C@H](C(F)(F)F)C1 ZINC000368179130 922518664 /nfs/dbraw/zinc/51/86/64/922518664.db2.gz MLDHVKSRVHEANH-GHMZBOCLSA-N 1 1 399.373 3.603 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000411191222 926188244 /nfs/dbraw/zinc/18/82/44/926188244.db2.gz ZOXLVWONYAFUPQ-GFCCVEGCSA-N 1 1 393.390 3.903 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000411191222 926188248 /nfs/dbraw/zinc/18/82/48/926188248.db2.gz ZOXLVWONYAFUPQ-GFCCVEGCSA-N 1 1 393.390 3.903 20 5 GHBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485415307 926414161 /nfs/dbraw/zinc/41/41/61/926414161.db2.gz ZILHGUZCFGFAMV-OAHLLOKOSA-N 1 1 381.411 3.913 20 5 GHBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000374366936 927060055 /nfs/dbraw/zinc/06/00/55/927060055.db2.gz PEGAIIQEXHIOHA-QGZVFWFLSA-N 1 1 376.416 3.553 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749480583 927128412 /nfs/dbraw/zinc/12/84/12/927128412.db2.gz MLFLIRHJOPRHDM-QGZVFWFLSA-N 1 1 391.468 3.577 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749480583 927128418 /nfs/dbraw/zinc/12/84/18/927128418.db2.gz MLFLIRHJOPRHDM-QGZVFWFLSA-N 1 1 391.468 3.577 20 5 GHBDMO Cc1ccc(CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)cc1 ZINC000750077215 927423104 /nfs/dbraw/zinc/42/31/04/927423104.db2.gz MGPGHMSNNKSVBN-YADHBBJMSA-N 1 1 384.476 3.660 20 5 GHBDMO CC[NH+](CC)[C@@H](C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000751661624 928310082 /nfs/dbraw/zinc/31/00/82/928310082.db2.gz CCCWZAUVRMNOEG-LJQANCHMSA-N 1 1 383.404 3.862 20 5 GHBDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(C)C ZINC000751942565 928498838 /nfs/dbraw/zinc/49/88/38/928498838.db2.gz KKTOXRIACSJZPV-IAGOWNOFSA-N 1 1 375.473 3.521 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(CC)CC ZINC000751959309 928511715 /nfs/dbraw/zinc/51/17/15/928511715.db2.gz KNGWCMSMZAJAPE-DLBZAZTESA-N 1 1 375.473 3.521 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccc(C)nc3)CC2)c([N+](=O)[O-])c1 ZINC000543990563 928656433 /nfs/dbraw/zinc/65/64/33/928656433.db2.gz MHUKQHGFWYTNSC-HNNXBMFYSA-N 1 1 398.463 3.513 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544097469 928803755 /nfs/dbraw/zinc/80/37/55/928803755.db2.gz XGDBWQZLWMSBDH-SJLPKXTDSA-N 1 1 399.516 3.714 20 5 GHBDMO C/C(=C/C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752476883 928840840 /nfs/dbraw/zinc/84/08/40/928840840.db2.gz DMNJPMQHGGJNTM-RUDRXDDOSA-N 1 1 379.460 3.731 20 5 GHBDMO CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544143760 928861507 /nfs/dbraw/zinc/86/15/07/928861507.db2.gz JMKYGBXCEFDOEL-QGZVFWFLSA-N 1 1 376.428 3.774 20 5 GHBDMO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757104940 929644841 /nfs/dbraw/zinc/64/48/41/929644841.db2.gz UYIYCMACCLMWOR-AEFFLSMTSA-N 1 1 377.485 3.763 20 5 GHBDMO CC[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757108185 929648480 /nfs/dbraw/zinc/64/84/80/929648480.db2.gz DSEGFMLHNKFQGN-HOTGVXAUSA-N 1 1 393.484 3.599 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000757601944 929740018 /nfs/dbraw/zinc/74/00/18/929740018.db2.gz BNCLRDYHTBSBLK-HXUWFJFHSA-N 1 1 394.475 3.502 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000757601944 929740025 /nfs/dbraw/zinc/74/00/25/929740025.db2.gz BNCLRDYHTBSBLK-HXUWFJFHSA-N 1 1 394.475 3.502 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000470178728 930435988 /nfs/dbraw/zinc/43/59/88/930435988.db2.gz MUKOBRGTLCRZNN-MNDPQUGUSA-N 1 1 381.476 3.695 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000470203877 930450685 /nfs/dbraw/zinc/45/06/85/930450685.db2.gz FUNGPWHDZXBQJL-FMTUWFKASA-N 1 1 395.503 3.567 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000470203877 930450686 /nfs/dbraw/zinc/45/06/86/930450686.db2.gz FUNGPWHDZXBQJL-FMTUWFKASA-N 1 1 395.503 3.567 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000470203877 930450688 /nfs/dbraw/zinc/45/06/88/930450688.db2.gz FUNGPWHDZXBQJL-FMTUWFKASA-N 1 1 395.503 3.567 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000470837075 930956848 /nfs/dbraw/zinc/95/68/48/930956848.db2.gz RXMJXQLYDSHOIO-WBVHZDCISA-N 1 1 383.448 3.559 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@](C)(O)CC2)cc1OC ZINC000471076107 931135825 /nfs/dbraw/zinc/13/58/25/931135825.db2.gz SVZWOKSVCSKPGQ-FOIQADDNSA-N 1 1 380.485 3.765 20 5 GHBDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 ZINC000782957603 931375433 /nfs/dbraw/zinc/37/54/33/931375433.db2.gz XQKOQXPETSLVAW-LPHOPBHVSA-N 1 1 377.448 3.997 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557460428 931445706 /nfs/dbraw/zinc/44/57/06/931445706.db2.gz VCYDYFUSLNGJGW-KRWDZBQOSA-N 1 1 379.416 3.757 20 5 GHBDMO CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000557630089 931583801 /nfs/dbraw/zinc/58/38/01/931583801.db2.gz LOQZMBVDTVSGNH-OAHLLOKOSA-N 1 1 383.477 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1Cl ZINC000783653084 931608341 /nfs/dbraw/zinc/60/83/41/931608341.db2.gz WDPAKNVNCOTDMK-CQSZACIVSA-N 1 1 385.645 3.834 20 5 GHBDMO C/C(=C/C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000783928947 931720657 /nfs/dbraw/zinc/72/06/57/931720657.db2.gz VFUIUXTYPOTNHW-YYOLLNNXSA-N 1 1 379.460 3.950 20 5 GHBDMO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000784008485 931753553 /nfs/dbraw/zinc/75/35/53/931753553.db2.gz IIKVKALLYGNSKC-RTWAWAEBSA-N 1 1 378.432 3.988 20 5 GHBDMO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000784008485 931753559 /nfs/dbraw/zinc/75/35/59/931753559.db2.gz IIKVKALLYGNSKC-RTWAWAEBSA-N 1 1 378.432 3.988 20 5 GHBDMO [NH3+]CCC[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000925762548 931896401 /nfs/dbraw/zinc/89/64/01/931896401.db2.gz LFLWPEYCORCOJD-MRXNPFEDSA-N 1 1 378.270 3.927 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000784512945 931920375 /nfs/dbraw/zinc/92/03/75/931920375.db2.gz WWDLSQAPYJLWCO-HYVNUMGLSA-N 1 1 375.469 3.720 20 5 GHBDMO COc1ccc([C@H]2[C@@H](COC(=O)Cc3cccc([N+](=O)[O-])c3C)CC[N@H+]2C)cc1 ZINC000797043568 932157388 /nfs/dbraw/zinc/15/73/88/932157388.db2.gz LBSLJPPUPSMJSQ-GCJKJVERSA-N 1 1 398.459 3.691 20 5 GHBDMO O=C1[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000558739538 932203825 /nfs/dbraw/zinc/20/38/25/932203825.db2.gz OFGWTWKAFUKLGN-HZPDHXFCSA-N 1 1 397.397 3.755 20 5 GHBDMO O=C1[C@H]([N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000558739538 932203831 /nfs/dbraw/zinc/20/38/31/932203831.db2.gz OFGWTWKAFUKLGN-HZPDHXFCSA-N 1 1 397.397 3.755 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000558773426 932225840 /nfs/dbraw/zinc/22/58/40/932225840.db2.gz RLYWDZLTUSMZJO-AWEZNQCLSA-N 1 1 394.431 3.979 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)c1 ZINC000558828530 932258769 /nfs/dbraw/zinc/25/87/69/932258769.db2.gz ORWMEIUZNHOUDN-OAHLLOKOSA-N 1 1 377.485 3.624 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000558848360 932271489 /nfs/dbraw/zinc/27/14/89/932271489.db2.gz BYRQIKLCIRTPNM-KRWDZBQOSA-N 1 1 397.475 3.730 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000797518335 932318343 /nfs/dbraw/zinc/31/83/43/932318343.db2.gz BRTVTUHAEYVLKY-QGZVFWFLSA-N 1 1 391.468 3.577 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000797518335 932318346 /nfs/dbraw/zinc/31/83/46/932318346.db2.gz BRTVTUHAEYVLKY-QGZVFWFLSA-N 1 1 391.468 3.577 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798483917 932666113 /nfs/dbraw/zinc/66/61/13/932666113.db2.gz NPKLQMAAWRVVDG-OAQYLSRUSA-N 1 1 398.463 3.637 20 5 GHBDMO C[C@]1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000799013515 932852280 /nfs/dbraw/zinc/85/22/80/932852280.db2.gz QSDBUOSVLYEIDB-HXUWFJFHSA-N 1 1 387.867 3.890 20 5 GHBDMO Cn1ccnc1[C@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560536884 933322461 /nfs/dbraw/zinc/32/24/61/933322461.db2.gz GCONNYJUYFNPMI-LEWJYISDSA-N 1 1 397.523 3.804 20 5 GHBDMO CN1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1=O ZINC000560551755 933336798 /nfs/dbraw/zinc/33/67/98/933336798.db2.gz OCBLLQGFEGELIO-MRXNPFEDSA-N 1 1 389.839 3.703 20 5 GHBDMO CN1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1=O ZINC000560551753 933337204 /nfs/dbraw/zinc/33/72/04/933337204.db2.gz OCBLLQGFEGELIO-INIZCTEOSA-N 1 1 389.839 3.703 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116640559 933679459 /nfs/dbraw/zinc/67/94/59/933679459.db2.gz SXWRICMLXXBBRG-OAQYLSRUSA-N 1 1 396.491 3.777 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(c4ccc(F)cn4)CC3)o2)cc1 ZINC000561979920 934603808 /nfs/dbraw/zinc/60/38/08/934603808.db2.gz JIXOAPAKVBBWKC-UHFFFAOYSA-N 1 1 382.395 3.711 20 5 GHBDMO C[N@@H+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001124467395 935394055 /nfs/dbraw/zinc/39/40/55/935394055.db2.gz OWCDFAYOIIACGZ-IBGZPJMESA-N 1 1 387.867 3.696 20 5 GHBDMO C[N@H+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001124467395 935394061 /nfs/dbraw/zinc/39/40/61/935394061.db2.gz OWCDFAYOIIACGZ-IBGZPJMESA-N 1 1 387.867 3.696 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC001137589740 935606505 /nfs/dbraw/zinc/60/65/05/935606505.db2.gz SEGKTGPUUFDIGG-WMZOPIPTSA-N 1 1 399.466 3.693 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(Cl)nc1)[C@H]1CC[C@H](O)CC1 ZINC000828807031 935716297 /nfs/dbraw/zinc/71/62/97/935716297.db2.gz IICLYAYVPLRQDE-QAQDUYKDSA-N 1 1 375.856 3.949 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(Cl)nc1)[C@H]1CC[C@H](O)CC1 ZINC000828807031 935716300 /nfs/dbraw/zinc/71/63/00/935716300.db2.gz IICLYAYVPLRQDE-QAQDUYKDSA-N 1 1 375.856 3.949 20 5 GHBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000374255906 1015066591 /nfs/dbraw/zinc/06/65/91/1015066591.db2.gz LGUWWLGEFDWXRN-ICSRJNTNSA-N 1 1 396.447 3.676 20 5 GHBDMO CCOC(=O)c1ccc(OC2CCN(c3ccc(C)c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC001227302078 1032363354 /nfs/dbraw/zinc/36/33/54/1032363354.db2.gz SSGPFGPIAXNQGY-UHFFFAOYSA-N 1 1 385.420 3.523 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001227338067 1032380116 /nfs/dbraw/zinc/38/01/16/1032380116.db2.gz IXSIQPQJIKNKLX-SWLSCSKDSA-N 1 1 376.844 3.636 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227690559 1032517606 /nfs/dbraw/zinc/51/76/06/1032517606.db2.gz INPKWOQVGUZONL-MRXNPFEDSA-N 1 1 381.436 3.546 20 5 GHBDMO COc1cccc([N+](=O)[O-])c1OC[C@H]1C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001227700804 1032522011 /nfs/dbraw/zinc/52/20/11/1032522011.db2.gz HNCMMFGTIKGBLO-QGZVFWFLSA-N 1 1 386.448 3.662 20 5 GHBDMO COc1cccc([N+](=O)[O-])c1OC[C@H]1C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001227700804 1032522019 /nfs/dbraw/zinc/52/20/19/1032522019.db2.gz HNCMMFGTIKGBLO-QGZVFWFLSA-N 1 1 386.448 3.662 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933080993 1018839700 /nfs/dbraw/zinc/83/97/00/1018839700.db2.gz FPACOVINIBMXCC-YOEHRIQHSA-N 1 1 386.452 3.844 20 5 GHBDMO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000748816109 1021722648 /nfs/dbraw/zinc/72/26/48/1021722648.db2.gz PXJKNBCJQKEEKU-LJQANCHMSA-N 1 1 389.883 3.818 20 5 GHBDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000835077419 1021874666 /nfs/dbraw/zinc/87/46/66/1021874666.db2.gz SDQFOAKQHLDEPG-UHFFFAOYSA-N 1 1 381.274 3.749 20 5 GHBDMO C[C@H](C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000755745506 1023359848 /nfs/dbraw/zinc/35/98/48/1023359848.db2.gz DUVNVGARBSJWOT-DZGCQCFKSA-N 1 1 376.384 3.638 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000755935686 1023442508 /nfs/dbraw/zinc/44/25/08/1023442508.db2.gz SYKMHZFYYAYRRW-SFHVURJKSA-N 1 1 392.463 3.541 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000755935686 1023442513 /nfs/dbraw/zinc/44/25/13/1023442513.db2.gz SYKMHZFYYAYRRW-SFHVURJKSA-N 1 1 392.463 3.541 20 5 GHBDMO C[NH+](C)CC[C@@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001228858012 1033138944 /nfs/dbraw/zinc/13/89/44/1033138944.db2.gz ARPWLLMLIPWFLN-CYBMUJFWSA-N 1 1 385.342 3.786 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000831384457 1024532789 /nfs/dbraw/zinc/53/27/89/1024532789.db2.gz FIQYLLFTFJBDPE-IAGOWNOFSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000831384457 1024532801 /nfs/dbraw/zinc/53/28/01/1024532801.db2.gz FIQYLLFTFJBDPE-IAGOWNOFSA-N 1 1 377.803 3.563 20 5 GHBDMO OC[C@H]1C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@H]1O ZINC001138810926 1025404612 /nfs/dbraw/zinc/40/46/12/1025404612.db2.gz RIMJWHICVUGWQR-JLCFBVMHSA-N 1 1 385.467 3.741 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3ccc(/C=C/[N+](=O)[O-])cc3)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001229116794 1033287567 /nfs/dbraw/zinc/28/75/67/1033287567.db2.gz XTOHRNZXDRUNQP-NKNWZZHWSA-N 1 1 378.428 3.687 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000839148795 1025646005 /nfs/dbraw/zinc/64/60/05/1025646005.db2.gz MKQGKRAUNWEAIO-HNNXBMFYSA-N 1 1 376.350 3.915 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000839148795 1025646009 /nfs/dbraw/zinc/64/60/09/1025646009.db2.gz MKQGKRAUNWEAIO-HNNXBMFYSA-N 1 1 376.350 3.915 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832681155 1025829534 /nfs/dbraw/zinc/82/95/34/1025829534.db2.gz ZSCINVJCFJLWIN-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832681155 1025829555 /nfs/dbraw/zinc/82/95/55/1025829555.db2.gz ZSCINVJCFJLWIN-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO C[C@H](CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[N@@H+](C)Cc1ccccc1 ZINC001162707486 1025886327 /nfs/dbraw/zinc/88/63/27/1025886327.db2.gz YOVQCAIBOGXXPZ-MRXNPFEDSA-N 1 1 396.491 3.810 20 5 GHBDMO O=C(CC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000839514319 1025997547 /nfs/dbraw/zinc/99/75/47/1025997547.db2.gz GLEYFQOJJHDCFJ-PZJWPPBQSA-N 1 1 383.448 3.512 20 5 GHBDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1F ZINC001163525275 1026224372 /nfs/dbraw/zinc/22/43/72/1026224372.db2.gz ZPCLYPWKBRWJQC-DYESRHJHSA-N 1 1 387.455 3.991 20 5 GHBDMO CSc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC001139361038 1026234880 /nfs/dbraw/zinc/23/48/80/1026234880.db2.gz DQAGNYXTMFUHOC-INIZCTEOSA-N 1 1 377.510 3.844 20 5 GHBDMO COc1cc(C)nc(N(C)[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001165182455 1026651690 /nfs/dbraw/zinc/65/16/90/1026651690.db2.gz NLARADYGEQIZTQ-CRAIPNDOSA-N 1 1 384.480 3.654 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001165202017 1026663587 /nfs/dbraw/zinc/66/35/87/1026663587.db2.gz QNVGAGKOFSVOQU-HOTGVXAUSA-N 1 1 377.448 3.637 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC001141840926 1027405683 /nfs/dbraw/zinc/40/56/83/1027405683.db2.gz HHMVZSJTQCHPCP-UHFFFAOYSA-N 1 1 381.392 3.523 20 5 GHBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303089428 1028734277 /nfs/dbraw/zinc/73/42/77/1028734277.db2.gz PADUSOSUPYWGMW-OAHLLOKOSA-N 1 1 391.269 3.829 20 5 GHBDMO COc1ncc(-c2noc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])n2)cc1C ZINC001216552777 1029683520 /nfs/dbraw/zinc/68/35/20/1029683520.db2.gz HSTWTYDSVPDFKE-UHFFFAOYSA-N 1 1 392.375 3.518 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001222778722 1030306107 /nfs/dbraw/zinc/30/61/07/1030306107.db2.gz YODUUWFTYCLEKJ-IIBYNOLFSA-N 1 1 398.459 3.809 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(COC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)nc2c1 ZINC001222930749 1030354853 /nfs/dbraw/zinc/35/48/53/1030354853.db2.gz ZSTVJPPSQMNFJT-GOSISDBHSA-N 1 1 397.431 3.544 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001150138698 1030422887 /nfs/dbraw/zinc/42/28/87/1030422887.db2.gz BMNAUOWAUYZICS-KXBFYZLASA-N 1 1 399.516 3.957 20 5 GHBDMO COC(=O)c1c(CO[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001223293445 1030512778 /nfs/dbraw/zinc/51/27/78/1030512778.db2.gz QGFDJCGCDLWTRK-SFHVURJKSA-N 1 1 384.432 3.563 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001223448530 1030578533 /nfs/dbraw/zinc/57/85/33/1030578533.db2.gz NXRBITWUTWQIDU-IIBYNOLFSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1cccc(CO[C@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001223663015 1030693226 /nfs/dbraw/zinc/69/32/26/1030693226.db2.gz QKTYJKJHGCVCSQ-WBVHZDCISA-N 1 1 399.447 3.519 20 5 GHBDMO COC(=O)c1cc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001223692253 1030706834 /nfs/dbraw/zinc/70/68/34/1030706834.db2.gz ZZOJDEWOYCCLNE-KKSFZXQISA-N 1 1 398.459 3.809 20 5 GHBDMO CCOC(=O)c1ccc(COC2CCN(c3cc(C)cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC001223960590 1030830594 /nfs/dbraw/zinc/83/05/94/1030830594.db2.gz JMRCRYVXMMGLGB-UHFFFAOYSA-N 1 1 399.447 3.661 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4C[NH2+]CCC45CC5)ccc3c21 ZINC001218406279 1030923894 /nfs/dbraw/zinc/92/38/94/1030923894.db2.gz ULGXRIHLIUNFMT-SFHVURJKSA-N 1 1 377.396 3.919 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@@H]45)ccc3c21 ZINC001218471814 1030952234 /nfs/dbraw/zinc/95/22/34/1030952234.db2.gz ILUQEQLJGVYSLS-SSKCKEOISA-N 1 1 377.396 3.775 20 5 GHBDMO CCOc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC001219317524 1031353924 /nfs/dbraw/zinc/35/39/24/1031353924.db2.gz DMKGIACQMSMBQG-GJZGRUSLSA-N 1 1 390.484 3.768 20 5 GHBDMO CCOc1cc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001219318832 1031355988 /nfs/dbraw/zinc/35/59/88/1031355988.db2.gz ZYRYSBZDZZUCPX-HNNXBMFYSA-N 1 1 386.452 3.636 20 5 GHBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001152816141 1031367968 /nfs/dbraw/zinc/36/79/68/1031367968.db2.gz OVDYIYOEAXGJMV-GJZGRUSLSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001152816141 1031367984 /nfs/dbraw/zinc/36/79/84/1031367984.db2.gz OVDYIYOEAXGJMV-GJZGRUSLSA-N 1 1 385.489 3.911 20 5 GHBDMO Nc1ccc[nH+]c1N1CCN(C(=O)c2c3ccccc3cc3ccccc32)CC1 ZINC001153489868 1031614102 /nfs/dbraw/zinc/61/41/02/1031614102.db2.gz AHNWHXBZQCBKST-UHFFFAOYSA-N 1 1 382.467 3.933 20 5 GHBDMO CCOc1nc(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC001157074610 1033402313 /nfs/dbraw/zinc/40/23/13/1033402313.db2.gz MPQUTMNGLAKTLP-UHFFFAOYSA-N 1 1 388.443 3.628 20 5 GHBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)n2ccc(C[NH2+]Cc3ccccc3)n2)c1 ZINC001157608754 1033687931 /nfs/dbraw/zinc/68/79/31/1033687931.db2.gz CSKGIIOUEBHIHE-UHFFFAOYSA-N 1 1 393.781 3.727 20 5 GHBDMO C[C@@H]1C[C@@H](Oc2nc3ccc(NC(=O)C[NH+](C)C)cc3c3ccccc32)CCO1 ZINC001229808921 1033732849 /nfs/dbraw/zinc/73/28/49/1033732849.db2.gz VTTLVVSQXXHRRR-WBVHZDCISA-N 1 1 393.487 3.834 20 5 GHBDMO Cc1c(Br)c(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001231093607 1034393939 /nfs/dbraw/zinc/39/39/39/1034393939.db2.gz ZPNLKINYWGYVGM-CQSZACIVSA-N 1 1 392.253 3.714 20 5 GHBDMO Cc1c(Br)c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001231093607 1034393953 /nfs/dbraw/zinc/39/39/53/1034393953.db2.gz ZPNLKINYWGYVGM-CQSZACIVSA-N 1 1 392.253 3.714 20 5 GHBDMO COc1ccc(F)cc1C[NH+]1CCC(Nc2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001161151367 1035159920 /nfs/dbraw/zinc/15/99/20/1035159920.db2.gz QZOKWHACDVQBQT-UHFFFAOYSA-N 1 1 394.834 3.867 20 5 GHBDMO CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)CC[C@H]21 ZINC001232222778 1035170130 /nfs/dbraw/zinc/17/01/30/1035170130.db2.gz QNJRYCMXOWKEQG-PZJWPPBQSA-N 1 1 388.515 3.862 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC001248208095 1035639414 /nfs/dbraw/zinc/63/94/14/1035639414.db2.gz HZLBMUUZNMYKOG-LJQANCHMSA-N 1 1 393.447 3.878 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[nH]nc2-c1nc2c(cccc2F)n1CC1CC[NH2+]CC1 ZINC001247031510 1037851403 /nfs/dbraw/zinc/85/14/03/1037851403.db2.gz IAXHFMWNVVMAJG-UHFFFAOYSA-N 1 1 394.410 3.627 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001462253666 1070122890 /nfs/dbraw/zinc/12/28/90/1070122890.db2.gz DEZVRLJUGOLVMA-SFHVURJKSA-N 1 1 384.432 3.526 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001252256773 1038915460 /nfs/dbraw/zinc/91/54/60/1038915460.db2.gz SNDVZTZHBRGPIE-GOSISDBHSA-N 1 1 394.475 3.532 20 5 GHBDMO O=[N+]([O-])c1c(F)cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC001233752261 1039590273 /nfs/dbraw/zinc/59/02/73/1039590273.db2.gz CDDSRGHLJFCBHS-MRXNPFEDSA-N 1 1 378.375 3.543 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001233986170 1039745006 /nfs/dbraw/zinc/74/50/06/1039745006.db2.gz ISLMROOFFGRFAU-PXNSSMCTSA-N 1 1 384.476 3.804 20 5 GHBDMO C[N@H+]1CCc2c(cccc2OC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C1 ZINC001234425858 1040025189 /nfs/dbraw/zinc/02/51/89/1040025189.db2.gz YTRWMGSZXMBMDM-UHFFFAOYSA-N 1 1 385.439 3.770 20 5 GHBDMO O=C(c1ccccc1)[C@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254483056 1040271123 /nfs/dbraw/zinc/27/11/23/1040271123.db2.gz PNTQFJNHXFTUEZ-SFHVURJKSA-N 1 1 379.460 3.768 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001254552719 1040320345 /nfs/dbraw/zinc/32/03/45/1040320345.db2.gz OLMLBVNLWIKZPS-HNNXBMFYSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001254552719 1040320351 /nfs/dbraw/zinc/32/03/51/1040320351.db2.gz OLMLBVNLWIKZPS-HNNXBMFYSA-N 1 1 375.469 3.611 20 5 GHBDMO Cc1cccc(N2C[C@]3(CC[N@H+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C3)CC2=O)c1 ZINC001254555103 1040325030 /nfs/dbraw/zinc/32/50/30/1040325030.db2.gz FRYIYIHAMLPAAU-WZONZLPQSA-N 1 1 393.487 3.963 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001254556937 1040326795 /nfs/dbraw/zinc/32/67/95/1040326795.db2.gz NPJCTSGTCJAKFJ-QRWLVFNGSA-N 1 1 385.489 3.716 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001254558241 1040327650 /nfs/dbraw/zinc/32/76/50/1040327650.db2.gz UBWSEGCAZJUWBC-BSIFCXSSSA-N 1 1 399.466 3.502 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001254561935 1040334018 /nfs/dbraw/zinc/33/40/18/1040334018.db2.gz NIDCOQHGIAUNJQ-OAHLLOKOSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001254570857 1040348833 /nfs/dbraw/zinc/34/88/33/1040348833.db2.gz QCWGJBLLANTEMI-HNAYVOBHSA-N 1 1 385.439 3.559 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254589182 1040362596 /nfs/dbraw/zinc/36/25/96/1040362596.db2.gz NIEOGXOMZULKPT-PGRDOPGGSA-N 1 1 399.454 3.723 20 5 GHBDMO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593256 1040366435 /nfs/dbraw/zinc/36/64/35/1040366435.db2.gz KOXSLMGZEXTGKI-GOSISDBHSA-N 1 1 387.480 3.537 20 5 GHBDMO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593256 1040366451 /nfs/dbraw/zinc/36/64/51/1040366451.db2.gz KOXSLMGZEXTGKI-GOSISDBHSA-N 1 1 387.480 3.537 20 5 GHBDMO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603492 1040375553 /nfs/dbraw/zinc/37/55/53/1040375553.db2.gz NUNRFFUCFVVCCN-PHSGOXPASA-N 1 1 387.480 3.582 20 5 GHBDMO CCC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611755 1040384148 /nfs/dbraw/zinc/38/41/48/1040384148.db2.gz SMUXTJKTIHXVAD-RTBURBONSA-N 1 1 389.496 3.783 20 5 GHBDMO O=[N+]([O-])c1sc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Br ZINC001462478167 1070287670 /nfs/dbraw/zinc/28/76/70/1070287670.db2.gz ADEACIFPASFBLQ-LBPRGKRZSA-N 1 1 388.331 3.630 20 5 GHBDMO O=C(C1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1)N1CCNCC1 ZINC001235299025 1040771805 /nfs/dbraw/zinc/77/18/05/1040771805.db2.gz RSPRMOOOPMINJG-UHFFFAOYSA-N 1 1 387.527 3.637 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]nc(-c3nnc([C@H]4CC[N@@H+](Cc5ccccc5)C4)o3)c2c1 ZINC001255404636 1040992041 /nfs/dbraw/zinc/99/20/41/1040992041.db2.gz IMMDYUZBJSOBFC-AWEZNQCLSA-N 1 1 390.403 3.511 20 5 GHBDMO COc1cc(N2CCC([N@@H+]3C[C@H]4[C@H](CCC4(F)F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093322 1041523196 /nfs/dbraw/zinc/52/31/96/1041523196.db2.gz JYBDXPZMDZQJOL-CJNGLKHVSA-N 1 1 381.423 3.549 20 5 GHBDMO COc1ccc(CC[N@@H+](C)C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 ZINC001256098863 1041525724 /nfs/dbraw/zinc/52/57/24/1041525724.db2.gz DOCSAOHGSWBENA-UHFFFAOYSA-N 1 1 399.491 3.755 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@H](C(F)(F)F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099377 1041527011 /nfs/dbraw/zinc/52/70/11/1041527011.db2.gz PBISRYQVAXZDFC-ZDUSSCGKSA-N 1 1 387.402 3.847 20 5 GHBDMO C[NH+]1CCN(C(=O)c2ccc(-c3ccc4ccc5cccnc5c4n3)cc2)CC1 ZINC001236555677 1041760560 /nfs/dbraw/zinc/76/05/60/1041760560.db2.gz MWLZOMADFMYQMF-UHFFFAOYSA-N 1 1 382.467 3.838 20 5 GHBDMO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001291928351 1043534662 /nfs/dbraw/zinc/53/46/62/1043534662.db2.gz IJXKAHUWZSHCIL-NHCUHLMSSA-N 1 1 385.508 3.813 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC[N@H+]1Cc1ccccc1 ZINC001295601430 1045066379 /nfs/dbraw/zinc/06/63/79/1045066379.db2.gz RSPJEWHGTLVYBE-IBGZPJMESA-N 1 1 396.491 3.763 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001296188298 1045275846 /nfs/dbraw/zinc/27/58/46/1045275846.db2.gz GMNABCFSSAUUGO-MRXNPFEDSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1Cc1ccccc1 ZINC001296188298 1045275850 /nfs/dbraw/zinc/27/58/50/1045275850.db2.gz GMNABCFSSAUUGO-MRXNPFEDSA-N 1 1 387.867 3.985 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001298367459 1045787884 /nfs/dbraw/zinc/78/78/84/1045787884.db2.gz WSGZNVCHTVOJKY-RUYXUALKSA-N 1 1 397.500 3.567 20 5 GHBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001261654670 1046052386 /nfs/dbraw/zinc/05/23/86/1046052386.db2.gz YRQGDSKDYINMRU-LBPRGKRZSA-N 1 1 379.258 3.550 20 5 GHBDMO CNc1c(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001302340267 1046914747 /nfs/dbraw/zinc/91/47/47/1046914747.db2.gz OKEWJFHPOZQWCJ-GOSISDBHSA-N 1 1 396.491 3.811 20 5 GHBDMO C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C1CCCC1 ZINC001263934079 1047191004 /nfs/dbraw/zinc/19/10/04/1047191004.db2.gz SHUUDAXHYLKINX-INIZCTEOSA-N 1 1 389.499 3.770 20 5 GHBDMO C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+]1C1CCCC1 ZINC001263934079 1047191017 /nfs/dbraw/zinc/19/10/17/1047191017.db2.gz SHUUDAXHYLKINX-INIZCTEOSA-N 1 1 389.499 3.770 20 5 GHBDMO CC[C@@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305602955 1048176649 /nfs/dbraw/zinc/17/66/49/1048176649.db2.gz HBFJGHZJAMQHNN-MRXNPFEDSA-N 1 1 388.516 3.676 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001306936636 1048968198 /nfs/dbraw/zinc/96/81/98/1048968198.db2.gz UAIHIOWXCGECPJ-IJEWVQPXSA-N 1 1 399.451 3.893 20 5 GHBDMO COc1cc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])cc1OC ZINC001306951761 1048975894 /nfs/dbraw/zinc/97/58/94/1048975894.db2.gz RDLYFWNJGSSQHI-GFCCVEGCSA-N 1 1 377.466 3.532 20 5 GHBDMO CCc1nn(C)c(N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC001306993794 1048996422 /nfs/dbraw/zinc/99/64/22/1048996422.db2.gz WNZJGMKNKAPYPA-UHFFFAOYSA-N 1 1 397.523 3.916 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CCC[N@H+]3C3CCCCC3)c2c1 ZINC001307107617 1049079549 /nfs/dbraw/zinc/07/95/49/1049079549.db2.gz BFYDMIKHIMNBJN-INIZCTEOSA-N 1 1 384.480 3.783 20 5 GHBDMO CC(C)Oc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001307185805 1049124903 /nfs/dbraw/zinc/12/49/03/1049124903.db2.gz UAYNKKFOUQNDCY-SJLPKXTDSA-N 1 1 384.480 3.957 20 5 GHBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001307660117 1049486271 /nfs/dbraw/zinc/48/62/71/1049486271.db2.gz UWEPEYRTOVSYMB-OAQYLSRUSA-N 1 1 383.492 3.960 20 5 GHBDMO CCN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307660117 1049486287 /nfs/dbraw/zinc/48/62/87/1049486287.db2.gz UWEPEYRTOVSYMB-OAQYLSRUSA-N 1 1 383.492 3.960 20 5 GHBDMO CCN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307660117 1049486309 /nfs/dbraw/zinc/48/63/09/1049486309.db2.gz UWEPEYRTOVSYMB-OAQYLSRUSA-N 1 1 383.492 3.960 20 5 GHBDMO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001307674998 1049497339 /nfs/dbraw/zinc/49/73/39/1049497339.db2.gz NOGSPBOEXXQHHD-MRXNPFEDSA-N 1 1 393.484 3.695 20 5 GHBDMO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001307674998 1049497345 /nfs/dbraw/zinc/49/73/45/1049497345.db2.gz NOGSPBOEXXQHHD-MRXNPFEDSA-N 1 1 393.484 3.695 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC001308173926 1049900967 /nfs/dbraw/zinc/90/09/67/1049900967.db2.gz QDXGLZKVGIXVGR-OXJNMPFZSA-N 1 1 390.484 3.507 20 5 GHBDMO CC(C)OCC[NH+]1CCC(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001308303630 1049943741 /nfs/dbraw/zinc/94/37/41/1049943741.db2.gz OKQIRAAVEOZRJR-UHFFFAOYSA-N 1 1 387.480 3.834 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ncc(Br)cc1O ZINC001308616027 1050033759 /nfs/dbraw/zinc/03/37/59/1050033759.db2.gz OKVWJHVWVWYYJR-UHFFFAOYSA-N 1 1 380.242 3.869 20 5 GHBDMO Cc1c(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC001308650446 1050047785 /nfs/dbraw/zinc/04/77/85/1050047785.db2.gz JPKOCYKVZSYQAR-UHFFFAOYSA-N 1 1 389.883 3.753 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001308651751 1050047846 /nfs/dbraw/zinc/04/78/46/1050047846.db2.gz UTGVBDVXTYNPOJ-SSZFMOIBSA-N 1 1 375.469 3.941 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001308651751 1050047851 /nfs/dbraw/zinc/04/78/51/1050047851.db2.gz UTGVBDVXTYNPOJ-SSZFMOIBSA-N 1 1 375.469 3.941 20 5 GHBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001308682523 1050058557 /nfs/dbraw/zinc/05/85/57/1050058557.db2.gz XKGWCBUCJMYMTJ-UHFFFAOYSA-N 1 1 389.883 3.989 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001327618144 1050234689 /nfs/dbraw/zinc/23/46/89/1050234689.db2.gz ZEQYFSMQWMAWTJ-SFHVURJKSA-N 1 1 396.491 3.669 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001327641247 1050241534 /nfs/dbraw/zinc/24/15/34/1050241534.db2.gz PJCIZGCUOSFYJL-UHFFFAOYSA-N 1 1 377.876 3.748 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001310300805 1051278490 /nfs/dbraw/zinc/27/84/90/1051278490.db2.gz DDOBILDHSWKAKQ-KRWDZBQOSA-N 1 1 384.436 3.993 20 5 GHBDMO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001312817642 1052880869 /nfs/dbraw/zinc/88/08/69/1052880869.db2.gz UUVHUVXFEGFBOR-HLIPFELVSA-N 1 1 396.491 3.661 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(Br)c1 ZINC001342948732 1053453478 /nfs/dbraw/zinc/45/34/78/1053453478.db2.gz FZIOTOSLWAEVLR-KGLIPLIRSA-N 1 1 383.286 3.996 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001318186487 1054483628 /nfs/dbraw/zinc/48/36/28/1054483628.db2.gz BZHVRGQXKOHYTA-HXUWFJFHSA-N 1 1 381.432 3.551 20 5 GHBDMO CN1CC[NH+](Cc2cccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)c2)CC1 ZINC001318340676 1054575616 /nfs/dbraw/zinc/57/56/16/1054575616.db2.gz VNKJWHCZAIMORV-UHFFFAOYSA-N 1 1 397.504 3.564 20 5 GHBDMO CCC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001318953581 1054962868 /nfs/dbraw/zinc/96/28/68/1054962868.db2.gz JQTOOLGFPZXWFR-XJKSGUPXSA-N 1 1 388.424 3.514 20 5 GHBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001318953581 1054962871 /nfs/dbraw/zinc/96/28/71/1054962871.db2.gz JQTOOLGFPZXWFR-XJKSGUPXSA-N 1 1 388.424 3.514 20 5 GHBDMO CCC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001318953579 1054963253 /nfs/dbraw/zinc/96/32/53/1054963253.db2.gz JQTOOLGFPZXWFR-CJNGLKHVSA-N 1 1 388.424 3.514 20 5 GHBDMO CCC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001318953579 1054963255 /nfs/dbraw/zinc/96/32/55/1054963255.db2.gz JQTOOLGFPZXWFR-CJNGLKHVSA-N 1 1 388.424 3.514 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@@H+]2CCSC[C@H]2CCO)o1 ZINC001319729305 1055429357 /nfs/dbraw/zinc/42/93/57/1055429357.db2.gz NWRFOTRRGIVIFC-CYBMUJFWSA-N 1 1 382.869 3.808 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001472829248 1056929346 /nfs/dbraw/zinc/92/93/46/1056929346.db2.gz ZKLWOSHLNOLTCH-INIZCTEOSA-N 1 1 395.381 3.792 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001324251865 1057097981 /nfs/dbraw/zinc/09/79/81/1057097981.db2.gz SLFDXRYWAXFFPD-AWEZNQCLSA-N 1 1 383.839 3.878 20 5 GHBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000848482882 1057119581 /nfs/dbraw/zinc/11/95/81/1057119581.db2.gz WNDYEIQGANMZOU-INIZCTEOSA-N 1 1 385.386 3.533 20 5 GHBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000848482882 1057119583 /nfs/dbraw/zinc/11/95/83/1057119583.db2.gz WNDYEIQGANMZOU-INIZCTEOSA-N 1 1 385.386 3.533 20 5 GHBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+]1CCC(c2ccsc2)CC1 ZINC000848484888 1057120515 /nfs/dbraw/zinc/12/05/15/1057120515.db2.gz SCOBMBGLYRXGKD-LJQANCHMSA-N 1 1 385.489 3.809 20 5 GHBDMO C[N@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000848491880 1057125509 /nfs/dbraw/zinc/12/55/09/1057125509.db2.gz ZMMOFTRYDJJUOF-BBWFWOEESA-N 1 1 399.413 3.921 20 5 GHBDMO C[N@@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000848491880 1057125511 /nfs/dbraw/zinc/12/55/11/1057125511.db2.gz ZMMOFTRYDJJUOF-BBWFWOEESA-N 1 1 399.413 3.921 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1Cl ZINC001325192727 1057287145 /nfs/dbraw/zinc/28/71/45/1057287145.db2.gz FLDVBRYRJCVDRD-WMZOPIPTSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1Cl ZINC001325192727 1057287149 /nfs/dbraw/zinc/28/71/49/1057287149.db2.gz FLDVBRYRJCVDRD-WMZOPIPTSA-N 1 1 391.830 3.871 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001356354269 1057486794 /nfs/dbraw/zinc/48/67/94/1057486794.db2.gz GRMHEHGFNXOVNB-HUUCEWRRSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001356354269 1057486798 /nfs/dbraw/zinc/48/67/98/1057486798.db2.gz GRMHEHGFNXOVNB-HUUCEWRRSA-N 1 1 387.867 3.983 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1F ZINC001327311276 1057636936 /nfs/dbraw/zinc/63/69/36/1057636936.db2.gz AGGAYJMRRIOHIQ-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001436281665 1063357756 /nfs/dbraw/zinc/35/77/56/1063357756.db2.gz VNDHOAQBPQGJCH-INIZCTEOSA-N 1 1 381.476 3.806 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC001458108522 1063570896 /nfs/dbraw/zinc/57/08/96/1063570896.db2.gz MLSHCEYRNJRJPG-TXEJJXNPSA-N 1 1 377.411 3.517 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC001458468580 1063828815 /nfs/dbraw/zinc/82/88/15/1063828815.db2.gz JZZOZGCVUSBVHO-SOUVJXGZSA-N 1 1 385.493 3.792 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001437907539 1063949935 /nfs/dbraw/zinc/94/99/35/1063949935.db2.gz XUQFZFCRVIKWDX-MRXNPFEDSA-N 1 1 393.365 3.618 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001437907539 1063949938 /nfs/dbraw/zinc/94/99/38/1063949938.db2.gz XUQFZFCRVIKWDX-MRXNPFEDSA-N 1 1 393.365 3.618 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC001459611679 1064142343 /nfs/dbraw/zinc/14/23/43/1064142343.db2.gz TUEHONZFUFTRHR-RDJZCZTQSA-N 1 1 393.484 3.599 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001459657997 1064156244 /nfs/dbraw/zinc/15/62/44/1064156244.db2.gz WOTGMYJUGWJFFU-KRWDZBQOSA-N 1 1 382.464 3.654 20 5 GHBDMO Cc1ccc(C[N@H+](CCO)Cc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC001459806447 1064225021 /nfs/dbraw/zinc/22/50/21/1064225021.db2.gz RLEOVNCSBQIPOS-UHFFFAOYSA-N 1 1 379.254 3.660 20 5 GHBDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC001459806447 1064225031 /nfs/dbraw/zinc/22/50/31/1064225031.db2.gz RLEOVNCSBQIPOS-UHFFFAOYSA-N 1 1 379.254 3.660 20 5 GHBDMO CCOc1cc(N2CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC001460046982 1064371313 /nfs/dbraw/zinc/37/13/13/1064371313.db2.gz SXVOUHROLVIWDV-AZUAARDMSA-N 1 1 385.439 3.811 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001467549333 1067353099 /nfs/dbraw/zinc/35/30/99/1067353099.db2.gz PSIVZPAZAYWJFT-INIZCTEOSA-N 1 1 382.464 3.944 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001468996803 1067948164 /nfs/dbraw/zinc/94/81/64/1067948164.db2.gz VEDNTLCBNLTIRZ-OKZBNKHCSA-N 1 1 396.491 3.788 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001460095236 1068780150 /nfs/dbraw/zinc/78/01/50/1068780150.db2.gz BSEQJYDNTITWJL-UGKGYDQZSA-N 1 1 384.476 3.778 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001460673045 1069076000 /nfs/dbraw/zinc/07/60/00/1069076000.db2.gz QYIYJAGTGWLPDR-MRXNPFEDSA-N 1 1 375.469 3.834 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001460673045 1069076004 /nfs/dbraw/zinc/07/60/04/1069076004.db2.gz QYIYJAGTGWLPDR-MRXNPFEDSA-N 1 1 375.469 3.834 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001460764461 1069164102 /nfs/dbraw/zinc/16/41/02/1069164102.db2.gz VZLCXYVMAWDSHQ-GOSISDBHSA-N 1 1 389.496 3.782 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H](Cc3nc(C)cs3)C2)c([N+](=O)[O-])cc1F ZINC001460797121 1069186488 /nfs/dbraw/zinc/18/64/88/1069186488.db2.gz XBATUVHRLFLUEU-ZDUSSCGKSA-N 1 1 379.457 3.962 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](Cc3nc(C)cs3)C2)c([N+](=O)[O-])cc1F ZINC001460797121 1069186494 /nfs/dbraw/zinc/18/64/94/1069186494.db2.gz XBATUVHRLFLUEU-ZDUSSCGKSA-N 1 1 379.457 3.962 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001460880727 1069249815 /nfs/dbraw/zinc/24/98/15/1069249815.db2.gz LUAAYZSCXASFFB-GOEBONIOSA-N 1 1 393.484 3.586 20 5 GHBDMO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001470809615 1072751697 /nfs/dbraw/zinc/75/16/97/1072751697.db2.gz USENVXIUNMGNHS-MRXNPFEDSA-N 1 1 391.830 3.668 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001471084262 1072915934 /nfs/dbraw/zinc/91/59/34/1072915934.db2.gz WRZRDOYHUIQFJB-UHFFFAOYSA-N 1 1 396.491 3.629 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCOCC2)c(C(F)F)c1 ZINC001472643212 1073591893 /nfs/dbraw/zinc/59/18/93/1073591893.db2.gz BWXNHLWSPLNWEB-UHFFFAOYSA-N 1 1 377.391 3.977 20 5 GHBDMO Cc1cc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472660081 1073601493 /nfs/dbraw/zinc/60/14/93/1073601493.db2.gz LYVDQMYFQFQHJV-IYBDPMFKSA-N 1 1 383.496 3.562 20 5 GHBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC001472750016 1073648398 /nfs/dbraw/zinc/64/83/98/1073648398.db2.gz KELHJIQONNQEHJ-INIZCTEOSA-N 1 1 376.416 3.553 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001473465225 1073978457 /nfs/dbraw/zinc/97/84/57/1073978457.db2.gz NMFXNWBEHLXBBT-UHFFFAOYSA-N 1 1 394.225 3.940 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)c1 ZINC001473491341 1073988142 /nfs/dbraw/zinc/98/81/42/1073988142.db2.gz VQQUJQYLWDMKRA-KRWDZBQOSA-N 1 1 398.459 3.845 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)ccc1[N+](=O)[O-] ZINC001473581803 1074030015 /nfs/dbraw/zinc/03/00/15/1074030015.db2.gz FFZBMXWMYYDSPR-FPOVZHCZSA-N 1 1 384.476 3.952 20 5 GHBDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473610622 1074046276 /nfs/dbraw/zinc/04/62/76/1074046276.db2.gz HOLNWHZSCFMGSQ-AWEZNQCLSA-N 1 1 379.413 3.589 20 5 GHBDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473610622 1074046284 /nfs/dbraw/zinc/04/62/84/1074046284.db2.gz HOLNWHZSCFMGSQ-AWEZNQCLSA-N 1 1 379.413 3.589 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)cc1F ZINC001473775804 1074136660 /nfs/dbraw/zinc/13/66/60/1074136660.db2.gz ULFOEAQLSGTGIM-KDYLLFBJSA-N 1 1 395.228 3.636 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001474374789 1074370984 /nfs/dbraw/zinc/37/09/84/1074370984.db2.gz DGAHKGJPSNNASQ-RHSMWYFYSA-N 1 1 377.485 3.947 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275585657 837452736 /nfs/dbraw/zinc/45/27/36/837452736.db2.gz CFIGJEMIHRFTRT-OALUTQOASA-N 1 1 397.425 3.728 20 5 GHBDMO COC(=O)c1oc([C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000180696718 837467918 /nfs/dbraw/zinc/46/79/18/837467918.db2.gz UNAFPFXIBIVIGK-CQSZACIVSA-N 1 1 388.420 3.887 20 5 GHBDMO C[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000581225582 837485265 /nfs/dbraw/zinc/48/52/65/837485265.db2.gz BVCAULSYDHRYJO-ABSDTBQOSA-N 1 1 381.476 3.725 20 5 GHBDMO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581225584 837485482 /nfs/dbraw/zinc/48/54/82/837485482.db2.gz BVCAULSYDHRYJO-SQGPQFPESA-N 1 1 381.476 3.725 20 5 GHBDMO CN(C[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000178014413 837560039 /nfs/dbraw/zinc/56/00/39/837560039.db2.gz NOBKJCFVVKCJQJ-CQSZACIVSA-N 1 1 383.876 3.937 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000178014413 837560042 /nfs/dbraw/zinc/56/00/42/837560042.db2.gz NOBKJCFVVKCJQJ-CQSZACIVSA-N 1 1 383.876 3.937 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176580432 837683096 /nfs/dbraw/zinc/68/30/96/837683096.db2.gz PTNGSUZHHQUTBG-MJGOQNOKSA-N 1 1 397.475 3.533 20 5 GHBDMO CCC[N@@H+](CC(N)=O)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000430148466 834570955 /nfs/dbraw/zinc/57/09/55/834570955.db2.gz SFACOIDJOXQTEK-UHFFFAOYSA-N 1 1 377.828 3.738 20 5 GHBDMO COc1ccc(-c2ccc(CN3CCC[C@H]4C[N@H+](C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532988 834587192 /nfs/dbraw/zinc/58/71/92/834587192.db2.gz ZOEYVWBRSZKRPP-HNAYVOBHSA-N 1 1 385.464 3.780 20 5 GHBDMO COc1ccc(-c2ccc(CN3CCC[C@H]4C[N@@H+](C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532988 834587196 /nfs/dbraw/zinc/58/71/96/834587196.db2.gz ZOEYVWBRSZKRPP-HNAYVOBHSA-N 1 1 385.464 3.780 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000584442710 834623273 /nfs/dbraw/zinc/62/32/73/834623273.db2.gz DIYNJRKBKKQIJQ-WMZOPIPTSA-N 1 1 397.475 3.885 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126868345 835108059 /nfs/dbraw/zinc/10/80/59/835108059.db2.gz SFKTVMQNBOBFLF-CABCVRRESA-N 1 1 394.431 3.943 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126868345 835108063 /nfs/dbraw/zinc/10/80/63/835108063.db2.gz SFKTVMQNBOBFLF-CABCVRRESA-N 1 1 394.431 3.943 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000583896292 835204629 /nfs/dbraw/zinc/20/46/29/835204629.db2.gz SGNQDDKKBXCWEY-FUHWJXTLSA-N 1 1 382.464 3.996 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000471161737 835276324 /nfs/dbraw/zinc/27/63/24/835276324.db2.gz QMRBDWIJWWFVJR-JOCHJYFZSA-N 1 1 397.475 3.778 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136185243 835319319 /nfs/dbraw/zinc/31/93/19/835319319.db2.gz YWWMGUHBURZYBX-QAPCUYQASA-N 1 1 382.464 3.996 20 5 GHBDMO Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000612132251 835587747 /nfs/dbraw/zinc/58/77/47/835587747.db2.gz HYWQRKUMWFBPKK-HLAWJBBLSA-N 1 1 393.487 3.934 20 5 GHBDMO C[N@@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179470967 835733863 /nfs/dbraw/zinc/73/38/63/835733863.db2.gz AZPXVCJJGSQEDG-BZNIZROVSA-N 1 1 397.859 3.872 20 5 GHBDMO C[N@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179470967 835733879 /nfs/dbraw/zinc/73/38/79/835733879.db2.gz AZPXVCJJGSQEDG-BZNIZROVSA-N 1 1 397.859 3.872 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[C@@H]1c1ccccc1 ZINC000179471183 835735139 /nfs/dbraw/zinc/73/51/39/835735139.db2.gz KAAAWHRCQNZZDY-RTWAWAEBSA-N 1 1 394.475 3.714 20 5 GHBDMO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000102692041 835762908 /nfs/dbraw/zinc/76/29/08/835762908.db2.gz CFIVIVAIPKXEAC-GFCCVEGCSA-N 1 1 377.828 3.855 20 5 GHBDMO COc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(SC)cc1OC ZINC000278681018 835777703 /nfs/dbraw/zinc/77/77/03/835777703.db2.gz MCWURMVIBKJFLW-UHFFFAOYSA-N 1 1 388.449 3.500 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000410548337 835944010 /nfs/dbraw/zinc/94/40/10/835944010.db2.gz QVSQCEMRFIJLAK-FXAWDEMLSA-N 1 1 395.503 3.899 20 5 GHBDMO COc1ccc(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510145197 835946057 /nfs/dbraw/zinc/94/60/57/835946057.db2.gz JARUAIGZQOSRNU-WMZOPIPTSA-N 1 1 397.475 3.634 20 5 GHBDMO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000375833781 836032421 /nfs/dbraw/zinc/03/24/21/836032421.db2.gz VDPAUPBXEKOQID-AWEZNQCLSA-N 1 1 394.431 3.815 20 5 GHBDMO Cc1nc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000610754812 844118634 /nfs/dbraw/zinc/11/86/34/844118634.db2.gz WNPXWHRQCFXSFQ-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000177159147 836079521 /nfs/dbraw/zinc/07/95/21/836079521.db2.gz KBAUXPJIXKUDBY-LJQANCHMSA-N 1 1 382.416 3.932 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000177159147 836079531 /nfs/dbraw/zinc/07/95/31/836079531.db2.gz KBAUXPJIXKUDBY-LJQANCHMSA-N 1 1 382.416 3.932 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000411191224 836091533 /nfs/dbraw/zinc/09/15/33/836091533.db2.gz ZOXLVWONYAFUPQ-LBPRGKRZSA-N 1 1 393.390 3.903 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000411191224 836091540 /nfs/dbraw/zinc/09/15/40/836091540.db2.gz ZOXLVWONYAFUPQ-LBPRGKRZSA-N 1 1 393.390 3.903 20 5 GHBDMO CC(C)Oc1cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000411440132 836164302 /nfs/dbraw/zinc/16/43/02/836164302.db2.gz NRVWNAADNQFVRH-MRXNPFEDSA-N 1 1 377.485 3.766 20 5 GHBDMO C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000246986037 836518362 /nfs/dbraw/zinc/51/83/62/836518362.db2.gz NUOJDPMROXPQTN-FGTMMUONSA-N 1 1 388.512 3.952 20 5 GHBDMO C/C=C/c1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000027208397 836634832 /nfs/dbraw/zinc/63/48/32/836634832.db2.gz PJYGIVLFDFRHPC-WEBJUUICSA-N 1 1 386.448 3.508 20 5 GHBDMO C/C=C/c1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000027208397 836634840 /nfs/dbraw/zinc/63/48/40/836634840.db2.gz PJYGIVLFDFRHPC-WEBJUUICSA-N 1 1 386.448 3.508 20 5 GHBDMO Cc1cccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000510190537 836711540 /nfs/dbraw/zinc/71/15/40/836711540.db2.gz FTSIKUOHNBDRNP-IEBWSBKVSA-N 1 1 381.476 3.934 20 5 GHBDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000180067377 837064446 /nfs/dbraw/zinc/06/44/46/837064446.db2.gz FXDQKIHNLXJDEA-PMACEKPBSA-N 1 1 396.447 3.703 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000549770659 844247330 /nfs/dbraw/zinc/24/73/30/844247330.db2.gz WDLSWAMEVPMDSB-MRXNPFEDSA-N 1 1 387.505 3.620 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)s1 ZINC000549770659 844247339 /nfs/dbraw/zinc/24/73/39/844247339.db2.gz WDLSWAMEVPMDSB-MRXNPFEDSA-N 1 1 387.505 3.620 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001126382172 844260188 /nfs/dbraw/zinc/26/01/88/844260188.db2.gz GPFZBBGSEQVHPW-UGSOOPFHSA-N 1 1 391.468 3.917 20 5 GHBDMO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580507641 837357131 /nfs/dbraw/zinc/35/71/31/837357131.db2.gz VCKYBPYGYBGXAD-PKOBYXMFSA-N 1 1 381.476 3.679 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000412240287 837884708 /nfs/dbraw/zinc/88/47/08/837884708.db2.gz FTDXPEQIXMOTIB-LSDHHAIUSA-N 1 1 386.477 3.560 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000412240287 837884717 /nfs/dbraw/zinc/88/47/17/837884717.db2.gz FTDXPEQIXMOTIB-LSDHHAIUSA-N 1 1 386.477 3.560 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000365694605 837919643 /nfs/dbraw/zinc/91/96/43/837919643.db2.gz KXBAXUSCBRQWFE-GOSISDBHSA-N 1 1 397.475 3.937 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000109825870 838095614 /nfs/dbraw/zinc/09/56/14/838095614.db2.gz FYRSUDTVMUCDAA-INIZCTEOSA-N 1 1 383.448 3.847 20 5 GHBDMO CCN(CC)C(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000549797550 844294624 /nfs/dbraw/zinc/29/46/24/844294624.db2.gz YHACGNZOKPQKIB-UHFFFAOYSA-N 1 1 387.402 3.694 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000610296662 838202979 /nfs/dbraw/zinc/20/29/79/838202979.db2.gz HBNXLCMVQREJAS-OAQYLSRUSA-N 1 1 396.491 3.520 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610298379 838231639 /nfs/dbraw/zinc/23/16/39/838231639.db2.gz VSQJZFIOPXBILC-GOSISDBHSA-N 1 1 379.416 3.688 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[N@H+]1C1CC1 ZINC000275658473 838245575 /nfs/dbraw/zinc/24/55/75/838245575.db2.gz MLUPLCIJIRJYAD-SMDDNHRTSA-N 1 1 397.425 3.727 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001125400022 838424965 /nfs/dbraw/zinc/42/49/65/838424965.db2.gz YDHCDOGSVFHVIR-KYPFXXDHSA-N 1 1 379.460 3.650 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000104060820 838612609 /nfs/dbraw/zinc/61/26/09/838612609.db2.gz WKTRYCPYKODKSA-OAHLLOKOSA-N 1 1 386.427 3.768 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000549168944 839139306 /nfs/dbraw/zinc/13/93/06/839139306.db2.gz OVCKKOUHRCBOEK-IRLDBZIGSA-N 1 1 384.476 3.524 20 5 GHBDMO Cc1cc(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)n1-c1nccs1 ZINC000549172844 839157084 /nfs/dbraw/zinc/15/70/84/839157084.db2.gz OXHZKLVXIWGKNA-UHFFFAOYSA-N 1 1 398.488 3.816 20 5 GHBDMO Cc1cc(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)n1-c1nccs1 ZINC000549172844 839157097 /nfs/dbraw/zinc/15/70/97/839157097.db2.gz OXHZKLVXIWGKNA-UHFFFAOYSA-N 1 1 398.488 3.816 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CNCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000236836713 839518788 /nfs/dbraw/zinc/51/87/88/839518788.db2.gz KXBVDDYIWMPHGU-LJQANCHMSA-N 1 1 399.491 3.756 20 5 GHBDMO CCN1CCC[C@@H]1C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000236836713 839518797 /nfs/dbraw/zinc/51/87/97/839518797.db2.gz KXBVDDYIWMPHGU-LJQANCHMSA-N 1 1 399.491 3.756 20 5 GHBDMO C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1=CC[N@@H+](C)CC1 ZINC000275911982 839781168 /nfs/dbraw/zinc/78/11/68/839781168.db2.gz DTVXGNCQIHLFGH-GFCCVEGCSA-N 1 1 397.425 3.752 20 5 GHBDMO Cc1cn(C[N@H+](Cc2cccs2)C(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728706700 839974750 /nfs/dbraw/zinc/97/47/50/839974750.db2.gz CBEKHOXVMVJOGM-UHFFFAOYSA-N 1 1 386.477 3.785 20 5 GHBDMO Cc1cn(C[N@@H+](Cc2cccs2)C(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728706700 839974761 /nfs/dbraw/zinc/97/47/61/839974761.db2.gz CBEKHOXVMVJOGM-UHFFFAOYSA-N 1 1 386.477 3.785 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CNCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000236842137 840144605 /nfs/dbraw/zinc/14/46/05/840144605.db2.gz KXBVDDYIWMPHGU-IBGZPJMESA-N 1 1 399.491 3.756 20 5 GHBDMO CCN1CCC[C@H]1C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000236842137 840144610 /nfs/dbraw/zinc/14/46/10/840144610.db2.gz KXBVDDYIWMPHGU-IBGZPJMESA-N 1 1 399.491 3.756 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503919 844509268 /nfs/dbraw/zinc/50/92/68/844509268.db2.gz FVBRTVJBNWZRLZ-HXUWFJFHSA-N 1 1 385.489 3.785 20 5 GHBDMO C[C@@H](O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000610161468 840258907 /nfs/dbraw/zinc/25/89/07/840258907.db2.gz VQVRCHIFMJIADH-MRXNPFEDSA-N 1 1 381.432 3.675 20 5 GHBDMO C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000123943778 840278175 /nfs/dbraw/zinc/27/81/75/840278175.db2.gz XCWDXSYDINUERC-QGZVFWFLSA-N 1 1 387.411 3.627 20 5 GHBDMO C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000123943778 840278185 /nfs/dbraw/zinc/27/81/85/840278185.db2.gz XCWDXSYDINUERC-QGZVFWFLSA-N 1 1 387.411 3.627 20 5 GHBDMO CC(C)c1ccc(C[NH2+]Cc2cc(S(C)(=O)=O)ccc2F)cc1[N+](=O)[O-] ZINC000500375757 840296758 /nfs/dbraw/zinc/29/67/58/840296758.db2.gz JCRIBELKJVDINE-UHFFFAOYSA-N 1 1 380.441 3.551 20 5 GHBDMO Cc1cc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549465538 840603705 /nfs/dbraw/zinc/60/37/05/840603705.db2.gz MQFKXVWMZFZWJM-KRWDZBQOSA-N 1 1 388.434 3.606 20 5 GHBDMO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000417340701 840730504 /nfs/dbraw/zinc/73/05/04/840730504.db2.gz KFCMKZVOSPNWEW-UXHICEINSA-N 1 1 384.480 3.872 20 5 GHBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000110931404 840825063 /nfs/dbraw/zinc/82/50/63/840825063.db2.gz RDMUZSALZWGZQN-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H](c4ccsc4)C3)o2)c1 ZINC000126309295 840911286 /nfs/dbraw/zinc/91/12/86/840911286.db2.gz FZYSDMCMGNCTHT-SFHVURJKSA-N 1 1 385.445 3.927 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](c4ccsc4)C3)o2)c1 ZINC000126309295 840911301 /nfs/dbraw/zinc/91/13/01/840911301.db2.gz FZYSDMCMGNCTHT-SFHVURJKSA-N 1 1 385.445 3.927 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126419162 841053630 /nfs/dbraw/zinc/05/36/30/841053630.db2.gz JNDDUKZXWBPEJU-BXWFABGCSA-N 1 1 382.464 3.618 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000500101505 841438035 /nfs/dbraw/zinc/43/80/35/841438035.db2.gz YMGONQYETJFCTB-INIZCTEOSA-N 1 1 385.464 3.885 20 5 GHBDMO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000500137257 841508565 /nfs/dbraw/zinc/50/85/65/841508565.db2.gz HSSRKQIRHNYBRV-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000500137257 841508568 /nfs/dbraw/zinc/50/85/68/841508568.db2.gz HSSRKQIRHNYBRV-OXQOHEQNSA-N 1 1 383.448 3.694 20 5 GHBDMO C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487352647 841667912 /nfs/dbraw/zinc/66/79/12/841667912.db2.gz JCKZPJPIJSUBMP-GOEBONIOSA-N 1 1 387.867 3.889 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000302169870 861227560 /nfs/dbraw/zinc/22/75/60/861227560.db2.gz LTXNEGQHTIMUIV-KSSFIOAISA-N 1 1 389.477 3.938 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000603824968 861234817 /nfs/dbraw/zinc/23/48/17/861234817.db2.gz NGUCWXIZDSIPBK-AWEZNQCLSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000603824968 861234834 /nfs/dbraw/zinc/23/48/34/861234834.db2.gz NGUCWXIZDSIPBK-AWEZNQCLSA-N 1 1 385.247 3.773 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000127195933 841825829 /nfs/dbraw/zinc/82/58/29/841825829.db2.gz LVJUBYFYASEOPF-QGZVFWFLSA-N 1 1 396.491 3.962 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000127195933 841825841 /nfs/dbraw/zinc/82/58/41/841825841.db2.gz LVJUBYFYASEOPF-QGZVFWFLSA-N 1 1 396.491 3.962 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c1 ZINC000112076238 842180701 /nfs/dbraw/zinc/18/07/01/842180701.db2.gz VZEYSKMOMXESSZ-UHFFFAOYSA-N 1 1 382.464 3.551 20 5 GHBDMO CCS[C@H]1CCCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112089244 842182875 /nfs/dbraw/zinc/18/28/75/842182875.db2.gz KPZQZWBHALXHKW-HNNXBMFYSA-N 1 1 381.498 3.540 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)C1 ZINC000603855887 861280228 /nfs/dbraw/zinc/28/02/28/861280228.db2.gz DZMMZWNHXHJPJR-HNNXBMFYSA-N 1 1 382.464 3.538 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000569410978 842201854 /nfs/dbraw/zinc/20/18/54/842201854.db2.gz PREWQCCETBSTTI-QYZOEREBSA-N 1 1 398.459 3.617 20 5 GHBDMO CC(C)NC(=O)c1ccc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000603860750 861285381 /nfs/dbraw/zinc/28/53/81/861285381.db2.gz ZJGNILNZVFGNBK-CALCHBBNSA-N 1 1 390.528 3.903 20 5 GHBDMO CCOc1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599579811 861359092 /nfs/dbraw/zinc/35/90/92/861359092.db2.gz CUGWWTJMXVLSOK-HOCLYGCPSA-N 1 1 378.469 3.793 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599579811 861359111 /nfs/dbraw/zinc/35/91/11/861359111.db2.gz CUGWWTJMXVLSOK-HOCLYGCPSA-N 1 1 378.469 3.793 20 5 GHBDMO COc1c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cccc1[N+](=O)[O-] ZINC000474897200 861365052 /nfs/dbraw/zinc/36/50/52/861365052.db2.gz GYNUKXBXMKIQTK-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430913434 843182015 /nfs/dbraw/zinc/18/20/15/843182015.db2.gz VBLDNDQVTQIOCZ-LAUBAEHRSA-N 1 1 397.475 3.646 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430913434 843182023 /nfs/dbraw/zinc/18/20/23/843182023.db2.gz VBLDNDQVTQIOCZ-LAUBAEHRSA-N 1 1 397.475 3.646 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000933818056 843324930 /nfs/dbraw/zinc/32/49/30/843324930.db2.gz VCJBGFCIGKFNFP-VLCRHTCISA-N 1 1 393.487 3.679 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC000432324435 843662848 /nfs/dbraw/zinc/66/28/48/843662848.db2.gz IHDIWLPOHGGNDW-UHFFFAOYSA-N 1 1 392.459 3.864 20 5 GHBDMO CC[NH+](CC)Cc1cccc(CN[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000056184761 861448226 /nfs/dbraw/zinc/44/82/26/861448226.db2.gz AFXZNEZQJGIIDE-QGZVFWFLSA-N 1 1 398.507 3.862 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)c([N+](=O)[O-])c1 ZINC000512927626 844004241 /nfs/dbraw/zinc/00/42/41/844004241.db2.gz QSCXFUVVFDRFOI-LJQANCHMSA-N 1 1 383.448 3.996 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)c([N+](=O)[O-])c1 ZINC000512927626 844004247 /nfs/dbraw/zinc/00/42/47/844004247.db2.gz QSCXFUVVFDRFOI-LJQANCHMSA-N 1 1 383.448 3.996 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000500788774 844010366 /nfs/dbraw/zinc/01/03/66/844010366.db2.gz UXGFFFFESGESDW-MRXNPFEDSA-N 1 1 383.448 3.844 20 5 GHBDMO CCc1ccc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000190332233 844819051 /nfs/dbraw/zinc/81/90/51/844819051.db2.gz LYGNQNPTISBEDP-FQEVSTJZSA-N 1 1 383.448 3.559 20 5 GHBDMO CCc1ccc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000190332233 844819058 /nfs/dbraw/zinc/81/90/58/844819058.db2.gz LYGNQNPTISBEDP-FQEVSTJZSA-N 1 1 383.448 3.559 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)[N@@H+]1C ZINC000513203832 845045575 /nfs/dbraw/zinc/04/55/75/845045575.db2.gz KZXHIQPYKYAMNB-GASCZTMLSA-N 1 1 385.489 3.911 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000433061391 845105034 /nfs/dbraw/zinc/10/50/34/845105034.db2.gz KOUOKIQJVNIAQL-CRAIPNDOSA-N 1 1 397.475 3.982 20 5 GHBDMO CCc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000433061391 845105044 /nfs/dbraw/zinc/10/50/44/845105044.db2.gz KOUOKIQJVNIAQL-CRAIPNDOSA-N 1 1 397.475 3.982 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000582010753 845164340 /nfs/dbraw/zinc/16/43/40/845164340.db2.gz BMTYLYQPKFIIOZ-AWEZNQCLSA-N 1 1 394.903 3.526 20 5 GHBDMO Cc1c(Br)cc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000120473130 845217733 /nfs/dbraw/zinc/21/77/33/845217733.db2.gz PMIIXKBGEABDEK-ZDUSSCGKSA-N 1 1 398.301 3.516 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)ccn1 ZINC000856533807 881340827 /nfs/dbraw/zinc/34/08/27/881340827.db2.gz NPSGRDFUQNAGNC-KRWDZBQOSA-N 1 1 390.871 3.753 20 5 GHBDMO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000513386214 845359552 /nfs/dbraw/zinc/35/95/52/845359552.db2.gz HVJLXDCOYMXSAH-GOSISDBHSA-N 1 1 383.492 3.861 20 5 GHBDMO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000513386214 845359568 /nfs/dbraw/zinc/35/95/68/845359568.db2.gz HVJLXDCOYMXSAH-GOSISDBHSA-N 1 1 383.492 3.861 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1[N+](=O)[O-] ZINC000433849595 845499557 /nfs/dbraw/zinc/49/95/57/845499557.db2.gz RIDVAEBNFDMVHU-UHFFFAOYSA-N 1 1 392.485 3.526 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000604012171 861574952 /nfs/dbraw/zinc/57/49/52/861574952.db2.gz GQNKXUUZHOESCD-UHFFFAOYSA-N 1 1 378.432 3.608 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000604012171 861574965 /nfs/dbraw/zinc/57/49/65/861574965.db2.gz GQNKXUUZHOESCD-UHFFFAOYSA-N 1 1 378.432 3.608 20 5 GHBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000551273687 846295505 /nfs/dbraw/zinc/29/55/05/846295505.db2.gz XHLYNYXVRMTKMX-UHFFFAOYSA-N 1 1 381.476 3.605 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000421755368 846550349 /nfs/dbraw/zinc/55/03/49/846550349.db2.gz FZKJUMNOGLZYHA-INIZCTEOSA-N 1 1 387.505 3.915 20 5 GHBDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000120024789 846756518 /nfs/dbraw/zinc/75/65/18/846756518.db2.gz JTJDLLOXCLDKKY-UHFFFAOYSA-N 1 1 394.431 3.746 20 5 GHBDMO C[C@H](NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511097516 846810070 /nfs/dbraw/zinc/81/00/70/846810070.db2.gz WEZJPISWJOFKRP-GJZGRUSLSA-N 1 1 389.883 3.988 20 5 GHBDMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511097516 846810077 /nfs/dbraw/zinc/81/00/77/846810077.db2.gz WEZJPISWJOFKRP-GJZGRUSLSA-N 1 1 389.883 3.988 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CCCC1 ZINC000548731012 846926206 /nfs/dbraw/zinc/92/62/06/846926206.db2.gz YXENLQZHSVAJAC-UHFFFAOYSA-N 1 1 399.441 3.564 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478230006 847008345 /nfs/dbraw/zinc/00/83/45/847008345.db2.gz KBKXGXMCWAVRNP-FUHWJXTLSA-N 1 1 395.793 3.588 20 5 GHBDMO COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000478288120 847044997 /nfs/dbraw/zinc/04/49/97/847044997.db2.gz HIBBRTLPPBYMMP-KRWDZBQOSA-N 1 1 391.855 3.598 20 5 GHBDMO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1Cl ZINC000183779444 847068421 /nfs/dbraw/zinc/06/84/21/847068421.db2.gz WBMBSNITCPDDFZ-LLVKDONJSA-N 1 1 377.803 3.627 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000501802267 847202344 /nfs/dbraw/zinc/20/23/44/847202344.db2.gz FWBPTUOSEUXOMG-IAGOWNOFSA-N 1 1 397.475 3.556 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000501802266 847202541 /nfs/dbraw/zinc/20/25/41/847202541.db2.gz FWBPTUOSEUXOMG-DLBZAZTESA-N 1 1 397.475 3.556 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cccc2ccccc21 ZINC000511139829 847404236 /nfs/dbraw/zinc/40/42/36/847404236.db2.gz RNCACYWXIZPPQG-LJQANCHMSA-N 1 1 380.444 3.662 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](C)C[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420931034 847549759 /nfs/dbraw/zinc/54/97/59/847549759.db2.gz DAONYNLJOZYVAW-LZJOCLMNSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420931034 847549770 /nfs/dbraw/zinc/54/97/70/847549770.db2.gz DAONYNLJOZYVAW-LZJOCLMNSA-N 1 1 397.475 3.533 20 5 GHBDMO CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000131909597 861819423 /nfs/dbraw/zinc/81/94/23/861819423.db2.gz WCBVRDFXVFBEOR-QGZVFWFLSA-N 1 1 397.475 3.730 20 5 GHBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000303966866 861900755 /nfs/dbraw/zinc/90/07/55/861900755.db2.gz QPRCHIWFAKAKGM-UHFFFAOYSA-N 1 1 381.476 3.605 20 5 GHBDMO COCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000131082636 848440767 /nfs/dbraw/zinc/44/07/67/848440767.db2.gz DHMVJIWVPAHBJR-SFHVURJKSA-N 1 1 387.436 3.808 20 5 GHBDMO Cc1c(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000612132641 848496605 /nfs/dbraw/zinc/49/66/05/848496605.db2.gz ZUCHINSKMGFFJT-SESVDKBCSA-N 1 1 393.487 3.934 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000582935102 848725931 /nfs/dbraw/zinc/72/59/31/848725931.db2.gz YYHCEZMKTMPBJY-UHFFFAOYSA-N 1 1 388.493 3.611 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000176408136 849109099 /nfs/dbraw/zinc/10/90/99/849109099.db2.gz BBZNKJIGMFKGAY-LBPRGKRZSA-N 1 1 379.810 3.954 20 5 GHBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C2)C1 ZINC000505554701 849846492 /nfs/dbraw/zinc/84/64/92/849846492.db2.gz BWRXWQCFSQWWMA-JOCHJYFZSA-N 1 1 395.459 3.945 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)[C@H](CC)Cc3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000505572482 849904494 /nfs/dbraw/zinc/90/44/94/849904494.db2.gz KQEISMTZYFDHJS-DENIHFKCSA-N 1 1 395.503 3.899 20 5 GHBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000029827979 862092367 /nfs/dbraw/zinc/09/23/67/862092367.db2.gz XLMNQJLOZIUBAF-OAHLLOKOSA-N 1 1 394.431 3.578 20 5 GHBDMO CN(C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000029827979 862092383 /nfs/dbraw/zinc/09/23/83/862092383.db2.gz XLMNQJLOZIUBAF-OAHLLOKOSA-N 1 1 394.431 3.578 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000518804013 850151386 /nfs/dbraw/zinc/15/13/86/850151386.db2.gz YQYAKWAEEUCADG-OAHLLOKOSA-N 1 1 385.439 3.896 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000024960972 850333059 /nfs/dbraw/zinc/33/30/59/850333059.db2.gz FTIDILJOYQWNAP-HOTGVXAUSA-N 1 1 383.448 3.765 20 5 GHBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000487124667 850459816 /nfs/dbraw/zinc/45/98/16/850459816.db2.gz XQYKGHDCSZDABA-QGZVFWFLSA-N 1 1 393.443 3.635 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426519458 850540348 /nfs/dbraw/zinc/54/03/48/850540348.db2.gz AHWVKGOHUBOYAA-JOCHJYFZSA-N 1 1 398.459 3.529 20 5 GHBDMO C[NH+](C)C(C)(C)CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061555822 862161606 /nfs/dbraw/zinc/16/16/06/862161606.db2.gz SRRBPNGGQDPGNO-UHFFFAOYSA-N 1 1 393.491 3.877 20 5 GHBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426574003 850795645 /nfs/dbraw/zinc/79/56/45/850795645.db2.gz SNHIRVCDDLFMFH-INIZCTEOSA-N 1 1 385.464 3.540 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000488040474 851100420 /nfs/dbraw/zinc/10/04/20/851100420.db2.gz KMPAFQPCSFLCEX-ZDUSSCGKSA-N 1 1 375.400 3.510 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000488040474 851100429 /nfs/dbraw/zinc/10/04/29/851100429.db2.gz KMPAFQPCSFLCEX-ZDUSSCGKSA-N 1 1 375.400 3.510 20 5 GHBDMO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[NH+](C2CCCC2)CC1 ZINC000436102652 851201521 /nfs/dbraw/zinc/20/15/21/851201521.db2.gz SAJXBHFFMBZVLB-UHFFFAOYSA-N 1 1 393.462 3.521 20 5 GHBDMO C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@H+]1CCCC[C@@H]1C ZINC000436095234 851213420 /nfs/dbraw/zinc/21/34/20/851213420.db2.gz AMKQLJWQPUWHJM-LSDHHAIUSA-N 1 1 395.478 3.813 20 5 GHBDMO Cc1c(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cccc1[N+](=O)[O-] ZINC000604482434 862223260 /nfs/dbraw/zinc/22/32/60/862223260.db2.gz HXHKRUYICMULNI-UHFFFAOYSA-N 1 1 379.460 3.566 20 5 GHBDMO COc1ccccc1-c1ncc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000430086069 851513590 /nfs/dbraw/zinc/51/35/90/851513590.db2.gz PPWMSJYUKONYAO-UHFFFAOYSA-N 1 1 378.432 3.735 20 5 GHBDMO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC000604493392 862253230 /nfs/dbraw/zinc/25/32/30/862253230.db2.gz JFKPNYIQWUYCPL-UHFFFAOYSA-N 1 1 385.464 3.607 20 5 GHBDMO COCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC000604493392 862253245 /nfs/dbraw/zinc/25/32/45/862253245.db2.gz JFKPNYIQWUYCPL-UHFFFAOYSA-N 1 1 385.464 3.607 20 5 GHBDMO Cc1cccc(N2CCC(Nc3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)[nH+]1 ZINC000436391188 851553387 /nfs/dbraw/zinc/55/33/87/851553387.db2.gz QPIOPOLAXKQONP-UHFFFAOYSA-N 1 1 381.358 3.793 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000488529582 851585759 /nfs/dbraw/zinc/58/57/59/851585759.db2.gz JDBSPCJNFLGOSV-CRAIPNDOSA-N 1 1 399.516 3.957 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436419632 851592017 /nfs/dbraw/zinc/59/20/17/851592017.db2.gz KALYSFRQBHOJRL-AWEZNQCLSA-N 1 1 393.462 3.567 20 5 GHBDMO COCC1CC[NH+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000488680184 851692272 /nfs/dbraw/zinc/69/22/72/851692272.db2.gz CNLAZPNTVATAKP-NRFANRHFSA-N 1 1 397.475 3.941 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000604533320 862284460 /nfs/dbraw/zinc/28/44/60/862284460.db2.gz WRKPNQZNNXJLNQ-GOSISDBHSA-N 1 1 396.491 3.667 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1 ZINC000732567478 862362100 /nfs/dbraw/zinc/36/21/00/862362100.db2.gz MCLNJQGQQRWSSH-UHFFFAOYSA-N 1 1 382.464 3.551 20 5 GHBDMO Cc1c(CC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000133030497 862368582 /nfs/dbraw/zinc/36/85/82/862368582.db2.gz RJDCYQJBGKTORC-KRWDZBQOSA-N 1 1 387.524 3.949 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490017043 852724739 /nfs/dbraw/zinc/72/47/39/852724739.db2.gz XMEOMIKRXMYLIP-APWZRJJASA-N 1 1 396.491 3.650 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000490048952 852735448 /nfs/dbraw/zinc/73/54/48/852735448.db2.gz XBCMFVPJZKXQHL-CQSZACIVSA-N 1 1 389.427 3.828 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000490048952 852735450 /nfs/dbraw/zinc/73/54/50/852735450.db2.gz XBCMFVPJZKXQHL-CQSZACIVSA-N 1 1 389.427 3.828 20 5 GHBDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)cc(OC)c1 ZINC000490049544 852735549 /nfs/dbraw/zinc/73/55/49/852735549.db2.gz ODRVIWUBBDAEHH-KRWDZBQOSA-N 1 1 385.464 3.997 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000437843177 852737774 /nfs/dbraw/zinc/73/77/74/852737774.db2.gz SBADOFHOSCDCQY-HNNXBMFYSA-N 1 1 397.422 3.723 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490227980 852841709 /nfs/dbraw/zinc/84/17/09/852841709.db2.gz XGIMLFACXSEVTE-OALUTQOASA-N 1 1 389.402 3.827 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490227980 852841712 /nfs/dbraw/zinc/84/17/12/852841712.db2.gz XGIMLFACXSEVTE-OALUTQOASA-N 1 1 389.402 3.827 20 5 GHBDMO Cc1c(CC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000516692236 852871897 /nfs/dbraw/zinc/87/18/97/852871897.db2.gz GQKXGTOORZMJOQ-HXUWFJFHSA-N 1 1 395.503 3.864 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490330185 852959739 /nfs/dbraw/zinc/95/97/39/852959739.db2.gz YRRCTWDJBCSPBN-WBVHZDCISA-N 1 1 395.431 3.888 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490330185 852959742 /nfs/dbraw/zinc/95/97/42/852959742.db2.gz YRRCTWDJBCSPBN-WBVHZDCISA-N 1 1 395.431 3.888 20 5 GHBDMO CC(C)(NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000490375745 852989824 /nfs/dbraw/zinc/98/98/24/852989824.db2.gz QMZQJXRYFCIYEL-QGZVFWFLSA-N 1 1 388.512 3.926 20 5 GHBDMO CC(C)(NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000490408917 853000591 /nfs/dbraw/zinc/00/05/91/853000591.db2.gz OKYGQIYDNOLIPX-GOSISDBHSA-N 1 1 396.491 3.651 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427366551 853031959 /nfs/dbraw/zinc/03/19/59/853031959.db2.gz NXXXWGVSIHSDBR-GOSISDBHSA-N 1 1 397.475 3.588 20 5 GHBDMO C[C@]1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000490524658 853073618 /nfs/dbraw/zinc/07/36/18/853073618.db2.gz SYCSTGMIWRSARW-JOCHJYFZSA-N 1 1 397.475 3.535 20 5 GHBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437483935 853166135 /nfs/dbraw/zinc/16/61/35/853166135.db2.gz SSBRQFMPIFCFTD-HXUWFJFHSA-N 1 1 393.487 3.998 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507715255 853218370 /nfs/dbraw/zinc/21/83/70/853218370.db2.gz BIGXWKVJCYQEGF-KRWDZBQOSA-N 1 1 392.459 3.896 20 5 GHBDMO C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490760112 853224184 /nfs/dbraw/zinc/22/41/84/853224184.db2.gz UBENYQMZIUPABY-DOTOQJQBSA-N 1 1 392.459 3.717 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000003540501 853529705 /nfs/dbraw/zinc/52/97/05/853529705.db2.gz WDEIZDHWITVCFH-LBPRGKRZSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000003540501 853529710 /nfs/dbraw/zinc/52/97/10/853529710.db2.gz WDEIZDHWITVCFH-LBPRGKRZSA-N 1 1 392.253 3.816 20 5 GHBDMO CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760656400 853669955 /nfs/dbraw/zinc/66/99/55/853669955.db2.gz ULPWLIKYBRKGAX-KRWDZBQOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000571350826 853850230 /nfs/dbraw/zinc/85/02/30/853850230.db2.gz QHZFNXZQFKQCKY-LIRRHRJNSA-N 1 1 384.411 3.614 20 5 GHBDMO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000571350823 853850517 /nfs/dbraw/zinc/85/05/17/853850517.db2.gz QHZFNXZQFKQCKY-AUUYWEPGSA-N 1 1 384.411 3.614 20 5 GHBDMO C[C@]1(c2ccccc2)CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000438487857 853948901 /nfs/dbraw/zinc/94/89/01/853948901.db2.gz FVADVWVHLIKKHA-NRFANRHFSA-N 1 1 381.432 3.556 20 5 GHBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1cc(N2C[C@@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000156814211 854348807 /nfs/dbraw/zinc/34/88/07/854348807.db2.gz NINBMRAWXRJKFC-MHORFTMASA-N 1 1 398.507 3.502 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000589580701 855019781 /nfs/dbraw/zinc/01/97/81/855019781.db2.gz FXOVGWGLBFTBCA-SJORKVTESA-N 1 1 398.438 3.720 20 5 GHBDMO C[N@@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000553449613 855024102 /nfs/dbraw/zinc/02/41/02/855024102.db2.gz UVCUUYUWXQGHEF-UKRRQHHQSA-N 1 1 391.403 3.735 20 5 GHBDMO C[N@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000553449613 855024105 /nfs/dbraw/zinc/02/41/05/855024105.db2.gz UVCUUYUWXQGHEF-UKRRQHHQSA-N 1 1 391.403 3.735 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122923939 855039249 /nfs/dbraw/zinc/03/92/49/855039249.db2.gz GHEBFDFRIVNZSV-GOSISDBHSA-N 1 1 386.496 3.533 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000056851744 855099042 /nfs/dbraw/zinc/09/90/42/855099042.db2.gz DRIRPOPDEXZEAJ-GHMZBOCLSA-N 1 1 379.363 3.559 20 5 GHBDMO O=[N+]([O-])c1cnc(NCCC[N@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000301556057 855241471 /nfs/dbraw/zinc/24/14/71/855241471.db2.gz SHIQXDGODKXVOW-UHFFFAOYSA-N 1 1 391.269 3.613 20 5 GHBDMO C[C@@H]1C[C@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000301551179 855241672 /nfs/dbraw/zinc/24/16/72/855241672.db2.gz QNNAPAUYGCMCRW-GDBMZVCRSA-N 1 1 393.447 3.709 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCc4nc[nH]c4C34CCOCC4)o2)cc1 ZINC000895071527 855389355 /nfs/dbraw/zinc/38/93/55/855389355.db2.gz QSVGNZVHVBJSFV-UHFFFAOYSA-N 1 1 394.431 3.642 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCc4nc[nH]c4C34CCOCC4)o2)cc1 ZINC000895071527 855389362 /nfs/dbraw/zinc/38/93/62/855389362.db2.gz QSVGNZVHVBJSFV-UHFFFAOYSA-N 1 1 394.431 3.642 20 5 GHBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000590444259 855423531 /nfs/dbraw/zinc/42/35/31/855423531.db2.gz NJWYCCWIBMTEAV-KSSFIOAISA-N 1 1 383.473 3.522 20 5 GHBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000542714074 855527473 /nfs/dbraw/zinc/52/74/73/855527473.db2.gz PCRPCCYYVXWFOL-CABCVRRESA-N 1 1 386.427 3.861 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000429202128 862714569 /nfs/dbraw/zinc/71/45/69/862714569.db2.gz ZLAJFBGHXCVFDQ-UHFFFAOYSA-N 1 1 377.485 3.638 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000198103765 855901490 /nfs/dbraw/zinc/90/14/90/855901490.db2.gz DZMMZCJOESSJLM-INIZCTEOSA-N 1 1 383.448 3.603 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000462871862 856394424 /nfs/dbraw/zinc/39/44/24/856394424.db2.gz INVSMBQABPJSJC-VQIMIIECSA-N 1 1 381.476 3.992 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c(C)n3)CC2)cs1 ZINC000301630923 856547284 /nfs/dbraw/zinc/54/72/84/856547284.db2.gz CMGHLCDXPJTZKQ-UHFFFAOYSA-N 1 1 375.498 3.641 20 5 GHBDMO O=C(C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)NCc1ccc(F)cc1 ZINC000592138359 856683477 /nfs/dbraw/zinc/68/34/77/856683477.db2.gz KZBGPMPHIPBVGY-HNNXBMFYSA-N 1 1 391.468 3.714 20 5 GHBDMO O=C(C[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)NCc1ccc(F)cc1 ZINC000592138359 856683479 /nfs/dbraw/zinc/68/34/79/856683479.db2.gz KZBGPMPHIPBVGY-HNNXBMFYSA-N 1 1 391.468 3.714 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592693922 857026872 /nfs/dbraw/zinc/02/68/72/857026872.db2.gz BQMFFVUTPOSRQO-IBGZPJMESA-N 1 1 397.475 3.729 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1n1ccnc1 ZINC000245693917 857102606 /nfs/dbraw/zinc/10/26/06/857102606.db2.gz AYULUCKZPMOJRX-KBXCAEBGSA-N 1 1 383.477 3.998 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1n1ccnc1 ZINC000245693917 857102615 /nfs/dbraw/zinc/10/26/15/857102615.db2.gz AYULUCKZPMOJRX-KBXCAEBGSA-N 1 1 383.477 3.998 20 5 GHBDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1c1ccc(O)cc1 ZINC000451092894 857137460 /nfs/dbraw/zinc/13/74/60/857137460.db2.gz DCZAYWCZERZJTE-PNHOKKKMSA-N 1 1 384.432 3.558 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173793008 857152689 /nfs/dbraw/zinc/15/26/89/857152689.db2.gz IAQYCNJRDCMVLO-FRRDWIJNSA-N 1 1 387.402 3.710 20 5 GHBDMO COc1ccc(OCC[N@H+]2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000173988324 857191375 /nfs/dbraw/zinc/19/13/75/857191375.db2.gz CIYHMDMHVMRNAC-GOSISDBHSA-N 1 1 386.448 3.521 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(C3(O)CC3)CC2)cc1OC ZINC000593048788 857200332 /nfs/dbraw/zinc/20/03/32/857200332.db2.gz HOZOOKJQBNJYBP-OAHLLOKOSA-N 1 1 392.496 3.765 20 5 GHBDMO Cc1c([C@@H](C)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000245933208 857203106 /nfs/dbraw/zinc/20/31/06/857203106.db2.gz VZWCDXOSVLMSHS-QRWLVFNGSA-N 1 1 382.464 3.526 20 5 GHBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301698020 857220488 /nfs/dbraw/zinc/22/04/88/857220488.db2.gz CBCMCTWVXOZTEX-MOPGFXCFSA-N 1 1 379.460 3.746 20 5 GHBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CCN(c2ccccn2)CC1 ZINC000174393060 857284206 /nfs/dbraw/zinc/28/42/06/857284206.db2.gz HLCGYUQLMONWMJ-UHFFFAOYSA-N 1 1 384.480 3.737 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246309288 857344729 /nfs/dbraw/zinc/34/47/29/857344729.db2.gz FYKGZJOUPDIARG-FGTMMUONSA-N 1 1 388.512 3.508 20 5 GHBDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000174594819 857347744 /nfs/dbraw/zinc/34/77/44/857347744.db2.gz CEWJMVDEBOBLBT-UHFFFAOYSA-N 1 1 390.443 3.773 20 5 GHBDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000174594819 857347758 /nfs/dbraw/zinc/34/77/58/857347758.db2.gz CEWJMVDEBOBLBT-UHFFFAOYSA-N 1 1 390.443 3.773 20 5 GHBDMO COC[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000246685596 857431643 /nfs/dbraw/zinc/43/16/43/857431643.db2.gz HKDXLCTUXXEZOB-UTKZUKDTSA-N 1 1 397.475 3.941 20 5 GHBDMO COC[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000246685596 857431645 /nfs/dbraw/zinc/43/16/45/857431645.db2.gz HKDXLCTUXXEZOB-UTKZUKDTSA-N 1 1 397.475 3.941 20 5 GHBDMO O=C(NCc1ccncc1)Nc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000113355208 857442650 /nfs/dbraw/zinc/44/26/50/857442650.db2.gz JQQNRZBWFMQTPI-UHFFFAOYSA-N 1 1 391.431 3.601 20 5 GHBDMO COc1cc(CNc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000486191127 857513730 /nfs/dbraw/zinc/51/37/30/857513730.db2.gz BSSYPPDRSCVHGY-HZPDHXFCSA-N 1 1 385.464 3.825 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000130948048 857552202 /nfs/dbraw/zinc/55/22/02/857552202.db2.gz BFEVELDJXFJAFO-SFHVURJKSA-N 1 1 387.486 3.527 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000130948048 857552209 /nfs/dbraw/zinc/55/22/09/857552209.db2.gz BFEVELDJXFJAFO-SFHVURJKSA-N 1 1 387.486 3.527 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442308151 857710373 /nfs/dbraw/zinc/71/03/73/857710373.db2.gz NZVSNTLCVROJFY-HNNXBMFYSA-N 1 1 397.500 3.960 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000301805173 857868119 /nfs/dbraw/zinc/86/81/19/857868119.db2.gz XOLMKJTXAQUTPP-IUODEOHRSA-N 1 1 380.286 3.810 20 5 GHBDMO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594937226 858339975 /nfs/dbraw/zinc/33/99/75/858339975.db2.gz GMTNWHNUGJBQLA-UHFFFAOYSA-N 1 1 382.264 3.656 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000595009196 858365345 /nfs/dbraw/zinc/36/53/45/858365345.db2.gz BCXLTILIYHQWSP-HKUYNNGSSA-N 1 1 383.492 3.819 20 5 GHBDMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595371127 858518968 /nfs/dbraw/zinc/51/89/68/858518968.db2.gz RJGLARBVXBXAHH-UHFFFAOYSA-N 1 1 375.375 3.724 20 5 GHBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000595369402 858519023 /nfs/dbraw/zinc/51/90/23/858519023.db2.gz FEDGIOCRBPCMMY-XSIBGMEISA-N 1 1 392.500 3.575 20 5 GHBDMO Cc1noc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000595552581 858564833 /nfs/dbraw/zinc/56/48/33/858564833.db2.gz OHJCOMRUSGYWOZ-ZDUSSCGKSA-N 1 1 380.242 3.861 20 5 GHBDMO Cc1noc(C[N@H+]2CCC[C@H]2Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000595552581 858564840 /nfs/dbraw/zinc/56/48/40/858564840.db2.gz OHJCOMRUSGYWOZ-ZDUSSCGKSA-N 1 1 380.242 3.861 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115553816 858566563 /nfs/dbraw/zinc/56/65/63/858566563.db2.gz LPHASPQSZCCUMZ-WBVHZDCISA-N 1 1 383.448 3.810 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000115639957 858594746 /nfs/dbraw/zinc/59/47/46/858594746.db2.gz ODXMIMGVJIEULH-CJNGLKHVSA-N 1 1 398.891 3.507 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000046934515 858609209 /nfs/dbraw/zinc/60/92/09/858609209.db2.gz ZXIFCPHJXRPUAK-INIZCTEOSA-N 1 1 383.448 3.844 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](c4ccccc4)[C@H](CO)C3)co2)cc1 ZINC000595748891 858673851 /nfs/dbraw/zinc/67/38/51/858673851.db2.gz YZMYHNLGLQOEJA-GHTZIAJQSA-N 1 1 393.443 3.848 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595784888 858687028 /nfs/dbraw/zinc/68/70/28/858687028.db2.gz CFNXJSDYWCVPGI-QFBILLFUSA-N 1 1 375.469 3.513 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000595881179 858704621 /nfs/dbraw/zinc/70/46/21/858704621.db2.gz RSEPWAFHYHWWHX-MRXNPFEDSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000595912235 858716401 /nfs/dbraw/zinc/71/64/01/858716401.db2.gz WZWADDZIEUBXLT-UHFFFAOYSA-N 1 1 381.432 3.553 20 5 GHBDMO CCn1nccc1C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000596061285 858767307 /nfs/dbraw/zinc/76/73/07/858767307.db2.gz INHYXELAQKWDRI-UHFFFAOYSA-N 1 1 396.447 3.689 20 5 GHBDMO CC(C)([NH2+]CC(=O)NCCCSc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429267282 858868546 /nfs/dbraw/zinc/86/85/46/858868546.db2.gz WWGSVRLNXNAWSC-UHFFFAOYSA-N 1 1 387.505 3.718 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000439266638 858877109 /nfs/dbraw/zinc/87/71/09/858877109.db2.gz BHOAVMYVDQBKPA-QFIPXVFZSA-N 1 1 399.491 3.895 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000543206686 858883511 /nfs/dbraw/zinc/88/35/11/858883511.db2.gz ZRYWJJALBIJCHS-IAGOWNOFSA-N 1 1 388.489 3.555 20 5 GHBDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000543206686 858883518 /nfs/dbraw/zinc/88/35/18/858883518.db2.gz ZRYWJJALBIJCHS-IAGOWNOFSA-N 1 1 388.489 3.555 20 5 GHBDMO C[NH+](C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000466271386 858942271 /nfs/dbraw/zinc/94/22/71/858942271.db2.gz URLIGOOSLNTBFA-MRXNPFEDSA-N 1 1 382.247 3.821 20 5 GHBDMO C[NH+](C)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000466271385 858942410 /nfs/dbraw/zinc/94/24/10/858942410.db2.gz URLIGOOSLNTBFA-INIZCTEOSA-N 1 1 382.247 3.821 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499698331 859059487 /nfs/dbraw/zinc/05/94/87/859059487.db2.gz SPPHPADNCDBUFM-HNNXBMFYSA-N 1 1 388.493 3.713 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000185048946 859065480 /nfs/dbraw/zinc/06/54/80/859065480.db2.gz XFDORLGMKDUMFT-WIYYLYMNSA-N 1 1 381.476 3.679 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000185048946 859065484 /nfs/dbraw/zinc/06/54/84/859065484.db2.gz XFDORLGMKDUMFT-WIYYLYMNSA-N 1 1 381.476 3.679 20 5 GHBDMO CCc1nn(C)c(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301932274 859137473 /nfs/dbraw/zinc/13/74/73/859137473.db2.gz MIWVZPPTFZAWGU-OAHLLOKOSA-N 1 1 395.866 3.932 20 5 GHBDMO CCCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 ZINC000160771275 859169667 /nfs/dbraw/zinc/16/96/67/859169667.db2.gz FOYQQXSAFFBSJA-HNNXBMFYSA-N 1 1 392.477 3.644 20 5 GHBDMO CCCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 ZINC000160771275 859169672 /nfs/dbraw/zinc/16/96/72/859169672.db2.gz FOYQQXSAFFBSJA-HNNXBMFYSA-N 1 1 392.477 3.644 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(c3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000042633464 859227317 /nfs/dbraw/zinc/22/73/17/859227317.db2.gz XVBISZJWDQFBRZ-OAHLLOKOSA-N 1 1 383.448 3.815 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3c(F)cccc3[N+](=O)[O-])C2)s1 ZINC000601558402 859333021 /nfs/dbraw/zinc/33/30/21/859333021.db2.gz KUQLPKLDWNYTAQ-CQSZACIVSA-N 1 1 391.468 3.698 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000069087097 859336864 /nfs/dbraw/zinc/33/68/64/859336864.db2.gz DJLYHMZSTGLUOC-GOSISDBHSA-N 1 1 399.447 3.778 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597231126 859365467 /nfs/dbraw/zinc/36/54/67/859365467.db2.gz NWYCYVTZZJCQEE-MOPGFXCFSA-N 1 1 398.459 3.651 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597231138 859365509 /nfs/dbraw/zinc/36/55/09/859365509.db2.gz NWYCYVTZZJCQEE-RTBURBONSA-N 1 1 398.459 3.651 20 5 GHBDMO COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000509443710 859458680 /nfs/dbraw/zinc/45/86/80/859458680.db2.gz FUQWCFJLXOEFPX-NRFANRHFSA-N 1 1 383.492 3.994 20 5 GHBDMO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000509443710 859458685 /nfs/dbraw/zinc/45/86/85/859458685.db2.gz FUQWCFJLXOEFPX-NRFANRHFSA-N 1 1 383.492 3.994 20 5 GHBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000170969259 859948213 /nfs/dbraw/zinc/94/82/13/859948213.db2.gz HUNGAQPZRISGFT-OAHLLOKOSA-N 1 1 385.489 3.818 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000598196079 860140917 /nfs/dbraw/zinc/14/09/17/860140917.db2.gz ZDDOQYFGBLHICQ-QGZVFWFLSA-N 1 1 399.516 3.706 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000598196077 860141161 /nfs/dbraw/zinc/14/11/61/860141161.db2.gz ZDDOQYFGBLHICQ-KRWDZBQOSA-N 1 1 399.516 3.706 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)[nH+]c1 ZINC000154697279 860233915 /nfs/dbraw/zinc/23/39/15/860233915.db2.gz JCUFQZDSJYCPMM-UHFFFAOYSA-N 1 1 394.475 3.706 20 5 GHBDMO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000484700836 860263395 /nfs/dbraw/zinc/26/33/95/860263395.db2.gz SFQSLIYZEACCIE-HAWMADMCSA-N 1 1 375.494 3.562 20 5 GHBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000484700836 860263403 /nfs/dbraw/zinc/26/34/03/860263403.db2.gz SFQSLIYZEACCIE-HAWMADMCSA-N 1 1 375.494 3.562 20 5 GHBDMO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH2+]Cc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000428900122 860274101 /nfs/dbraw/zinc/27/41/01/860274101.db2.gz YPIVAWZYKPEMAN-MRXNPFEDSA-N 1 1 394.475 3.581 20 5 GHBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000124236200 860285024 /nfs/dbraw/zinc/28/50/24/860285024.db2.gz HPOSCSJVHLJKRQ-MRXNPFEDSA-N 1 1 385.464 3.983 20 5 GHBDMO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602809901 860292962 /nfs/dbraw/zinc/29/29/62/860292962.db2.gz JGTQGQPGVSHUQH-JTQLQIEISA-N 1 1 375.429 3.750 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000484726636 860305440 /nfs/dbraw/zinc/30/54/40/860305440.db2.gz HRWVAWNSDFRFAY-INIZCTEOSA-N 1 1 393.447 3.746 20 5 GHBDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000154889860 860313963 /nfs/dbraw/zinc/31/39/63/860313963.db2.gz GUGONDMEVOQREE-CVEARBPZSA-N 1 1 388.537 3.610 20 5 GHBDMO CC[C@H](O)C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000093687799 860331697 /nfs/dbraw/zinc/33/16/97/860331697.db2.gz ZITANJFFXJNMGG-NRFANRHFSA-N 1 1 394.475 3.768 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCOc1ccccc1Cl ZINC000026337006 860335146 /nfs/dbraw/zinc/33/51/46/860335146.db2.gz HTIRLCVSYHUEFD-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093840386 860360783 /nfs/dbraw/zinc/36/07/83/860360783.db2.gz YLUSCONVSWWRSK-KRWDZBQOSA-N 1 1 386.448 3.651 20 5 GHBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000155029049 860368246 /nfs/dbraw/zinc/36/82/46/860368246.db2.gz RUXISDLTYJTLRS-AWEZNQCLSA-N 1 1 389.839 3.738 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000155085009 860392780 /nfs/dbraw/zinc/39/27/80/860392780.db2.gz POHIZRHOETWXHE-GOSISDBHSA-N 1 1 382.464 3.808 20 5 GHBDMO CCc1nn(C)c(NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000094166363 860423234 /nfs/dbraw/zinc/42/32/34/860423234.db2.gz OMNUYSRZGIOAGG-UHFFFAOYSA-N 1 1 383.452 3.728 20 5 GHBDMO C[NH+](C)Cc1ccsc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552398677 860522591 /nfs/dbraw/zinc/52/25/91/860522591.db2.gz SNOMVAZESWVASY-UHFFFAOYSA-N 1 1 384.255 3.733 20 5 GHBDMO CCc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000552679157 860553936 /nfs/dbraw/zinc/55/39/36/860553936.db2.gz RQHZNHZSUVKZHA-HSZRJFAPSA-N 1 1 393.487 3.895 20 5 GHBDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(C)noc1C ZINC000155901439 860631965 /nfs/dbraw/zinc/63/19/65/860631965.db2.gz QEOQROWWRJCISE-YGRLFVJLSA-N 1 1 380.832 3.921 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000429022814 860722802 /nfs/dbraw/zinc/72/28/02/860722802.db2.gz TZGMKQWRAVVOMQ-IERDGZPVSA-N 1 1 391.512 3.556 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000599059897 860768560 /nfs/dbraw/zinc/76/85/60/860768560.db2.gz PLMULTWNCODPIR-IYWMVGAKSA-N 1 1 394.862 3.999 20 5 GHBDMO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000185648832 860807171 /nfs/dbraw/zinc/80/71/71/860807171.db2.gz VLCSFFNJQWBIAG-GFCCVEGCSA-N 1 1 378.812 3.651 20 5 GHBDMO COc1ccc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000481281425 860921133 /nfs/dbraw/zinc/92/11/33/860921133.db2.gz DRYGJSUBTDIHBB-LJQANCHMSA-N 1 1 398.463 3.636 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000302030816 861180097 /nfs/dbraw/zinc/18/00/97/861180097.db2.gz BWADPHODLORAIE-KRWDZBQOSA-N 1 1 375.856 3.817 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444032261 863177826 /nfs/dbraw/zinc/17/78/26/863177826.db2.gz OVDYRGLVAYLELK-OAHLLOKOSA-N 1 1 395.478 3.815 20 5 GHBDMO CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000522781279 863279465 /nfs/dbraw/zinc/27/94/65/863279465.db2.gz JAIBCFUTTLPWHC-VQIMIIECSA-N 1 1 396.491 3.934 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000594026152 863766385 /nfs/dbraw/zinc/76/63/85/863766385.db2.gz DRJAANHJBYLCIH-AWEZNQCLSA-N 1 1 386.395 3.738 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000594026152 863766387 /nfs/dbraw/zinc/76/63/87/863766387.db2.gz DRJAANHJBYLCIH-AWEZNQCLSA-N 1 1 386.395 3.738 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000020813411 863777295 /nfs/dbraw/zinc/77/72/95/863777295.db2.gz GVVYYWPLNUZIRK-GFCCVEGCSA-N 1 1 392.253 3.989 20 5 GHBDMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000020813411 863777306 /nfs/dbraw/zinc/77/73/06/863777306.db2.gz GVVYYWPLNUZIRK-GFCCVEGCSA-N 1 1 392.253 3.989 20 5 GHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000071901071 864107454 /nfs/dbraw/zinc/10/74/54/864107454.db2.gz NVJQOITXOAIHCS-UHFFFAOYSA-N 1 1 388.855 3.640 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000734298033 864130113 /nfs/dbraw/zinc/13/01/13/864130113.db2.gz GTKXKDYGTJMXCW-KRWDZBQOSA-N 1 1 384.432 3.672 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)CC[C@H]21 ZINC000897018518 864284815 /nfs/dbraw/zinc/28/48/15/864284815.db2.gz ZKWUOOIHFGFOFW-JOYOIKCWSA-N 1 1 390.242 3.597 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444324427 864313374 /nfs/dbraw/zinc/31/33/74/864313374.db2.gz XHHQEZRZYIMYGN-CQSZACIVSA-N 1 1 399.441 3.562 20 5 GHBDMO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC000475197845 864560639 /nfs/dbraw/zinc/56/06/39/864560639.db2.gz OLWWBEJRAVVXGE-UHFFFAOYSA-N 1 1 382.507 3.863 20 5 GHBDMO CCOc1ccc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025898088 864662538 /nfs/dbraw/zinc/66/25/38/864662538.db2.gz YHEVLBYNQWJDPG-UHFFFAOYSA-N 1 1 397.475 3.560 20 5 GHBDMO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554842820 865000791 /nfs/dbraw/zinc/00/07/91/865000791.db2.gz DVJPHXWSYRHCBA-UHFFFAOYSA-N 1 1 391.855 3.678 20 5 GHBDMO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554842820 865000797 /nfs/dbraw/zinc/00/07/97/865000797.db2.gz DVJPHXWSYRHCBA-UHFFFAOYSA-N 1 1 391.855 3.678 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)c3cccc([N+](=O)[O-])c3)CCC[N@H+]2C)cc1 ZINC000735898372 865038273 /nfs/dbraw/zinc/03/82/73/865038273.db2.gz HMCJMBNDCBTEKE-YLJYHZDGSA-N 1 1 384.432 3.843 20 5 GHBDMO COc1ccc([C@H]2[C@H](COC(=O)c3cccc([N+](=O)[O-])c3C)CC[N@H+]2C)cc1 ZINC000735905775 865046215 /nfs/dbraw/zinc/04/62/15/865046215.db2.gz WAIDFBOHAQNMOY-JXFKEZNVSA-N 1 1 384.432 3.762 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H](O)c1ccc(C)cc1 ZINC000173831658 865093721 /nfs/dbraw/zinc/09/37/21/865093721.db2.gz BZMZZXHKLYCYNZ-FQEVSTJZSA-N 1 1 385.464 3.596 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@H](Cc4ccc(F)cc4)C3)n2)c1 ZINC000736590622 865244821 /nfs/dbraw/zinc/24/48/21/865244821.db2.gz YVYXWZXYXMSNOG-MRXNPFEDSA-N 1 1 381.411 3.515 20 5 GHBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000736597251 865247341 /nfs/dbraw/zinc/24/73/41/865247341.db2.gz WNXAYKWUSVNHAU-WMLDXEAASA-N 1 1 381.411 3.828 20 5 GHBDMO CCS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000480891977 865474234 /nfs/dbraw/zinc/47/42/34/865474234.db2.gz KEUOIRYHBOAXGV-DZGCQCFKSA-N 1 1 381.498 3.538 20 5 GHBDMO CCS[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000480891977 865474242 /nfs/dbraw/zinc/47/42/42/865474242.db2.gz KEUOIRYHBOAXGV-DZGCQCFKSA-N 1 1 381.498 3.538 20 5 GHBDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000738054038 865488428 /nfs/dbraw/zinc/48/84/28/865488428.db2.gz FKFVCRKENXVANC-WMZOPIPTSA-N 1 1 377.448 3.997 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153084582 881892963 /nfs/dbraw/zinc/89/29/63/881892963.db2.gz KXTMRIUGQWZNGK-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153084582 881892973 /nfs/dbraw/zinc/89/29/73/881892973.db2.gz KXTMRIUGQWZNGK-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO C[N@H+]1CCCN(c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000739523377 865763826 /nfs/dbraw/zinc/76/38/26/865763826.db2.gz XUICMNSKTWOJQR-UHFFFAOYSA-N 1 1 396.491 3.653 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)N1Cc2ccccc2C1 ZINC000475498311 866060940 /nfs/dbraw/zinc/06/09/40/866060940.db2.gz WVFPXLBODLQJSZ-OAHLLOKOSA-N 1 1 391.427 3.875 20 5 GHBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740881703 866067271 /nfs/dbraw/zinc/06/72/71/866067271.db2.gz JFUIMUGRRTVRFE-CRAIPNDOSA-N 1 1 393.484 3.599 20 5 GHBDMO C[C@@H](OC(=O)[C@H](C)[NH+]1CCCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741029125 866186503 /nfs/dbraw/zinc/18/65/03/866186503.db2.gz LHMVIHWNMRXSDU-UONOGXRCSA-N 1 1 388.424 3.514 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1F ZINC000067523827 866204933 /nfs/dbraw/zinc/20/49/33/866204933.db2.gz NQIUUBLQUWBRQO-UHFFFAOYSA-N 1 1 388.786 3.811 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183209152 866374625 /nfs/dbraw/zinc/37/46/25/866374625.db2.gz FQVPTXVSFCPQGT-FQEVSTJZSA-N 1 1 396.422 3.788 20 5 GHBDMO O=C(OCc1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741327947 866409509 /nfs/dbraw/zinc/40/95/09/866409509.db2.gz RDQZAVDTJLNSCV-OAHLLOKOSA-N 1 1 378.425 3.751 20 5 GHBDMO CSc1cccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000186625597 866434096 /nfs/dbraw/zinc/43/40/96/866434096.db2.gz OYHYSRGYGVDHTC-QGZVFWFLSA-N 1 1 399.516 3.911 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)co2)cc1 ZINC000186682428 866606122 /nfs/dbraw/zinc/60/61/22/866606122.db2.gz FDEFQMBAZMKZBQ-OAQYLSRUSA-N 1 1 377.400 3.881 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)co2)cc1 ZINC000186682428 866606127 /nfs/dbraw/zinc/60/61/27/866606127.db2.gz FDEFQMBAZMKZBQ-OAQYLSRUSA-N 1 1 377.400 3.881 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1F ZINC000478819868 866704502 /nfs/dbraw/zinc/70/45/02/866704502.db2.gz DYZFTEXSYFUULI-UHFFFAOYSA-N 1 1 397.410 3.536 20 5 GHBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000456530712 866783444 /nfs/dbraw/zinc/78/34/44/866783444.db2.gz NJFQHCLZRNYWTR-CYBMUJFWSA-N 1 1 399.441 3.516 20 5 GHBDMO CN1C(=O)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000542485662 882036281 /nfs/dbraw/zinc/03/62/81/882036281.db2.gz SAFIOFYEBKIEBC-AEFFLSMTSA-N 1 1 395.793 3.588 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444728643 867107307 /nfs/dbraw/zinc/10/73/07/867107307.db2.gz GJLJNCQMAPFXMH-MLGOLLRUSA-N 1 1 376.375 3.517 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444728643 867107317 /nfs/dbraw/zinc/10/73/17/867107317.db2.gz GJLJNCQMAPFXMH-MLGOLLRUSA-N 1 1 376.375 3.517 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000444741522 867164198 /nfs/dbraw/zinc/16/41/98/867164198.db2.gz HOHJXFLFTVWCHK-ZDUSSCGKSA-N 1 1 375.400 3.510 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000444741522 867164207 /nfs/dbraw/zinc/16/42/07/867164207.db2.gz HOHJXFLFTVWCHK-ZDUSSCGKSA-N 1 1 375.400 3.510 20 5 GHBDMO C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(O)c1 ZINC000444753434 867180525 /nfs/dbraw/zinc/18/05/25/867180525.db2.gz ZVQPUWUGZGUKSA-LBPRGKRZSA-N 1 1 398.444 3.713 20 5 GHBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000742485050 867336359 /nfs/dbraw/zinc/33/63/59/867336359.db2.gz IXUFDTGQNZCFEM-KTZABMDBSA-N 1 1 379.460 3.636 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(OC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000195324022 882073455 /nfs/dbraw/zinc/07/34/55/882073455.db2.gz JVGKCJJFKROIDT-HNNXBMFYSA-N 1 1 375.469 3.654 20 5 GHBDMO Cn1cc(C[N@@H+](C)CCOc2ccccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121512517 867531421 /nfs/dbraw/zinc/53/14/21/867531421.db2.gz HUUOZWGCNJAUQB-UHFFFAOYSA-N 1 1 384.411 3.645 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1Cl ZINC000793349409 882145848 /nfs/dbraw/zinc/14/58/48/882145848.db2.gz SNDGHPFLHVJHME-CYBMUJFWSA-N 1 1 390.745 3.970 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000553794991 868244086 /nfs/dbraw/zinc/24/40/86/868244086.db2.gz ZRGZICISFJDVCR-LJQANCHMSA-N 1 1 388.512 3.576 20 5 GHBDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000535210914 868355987 /nfs/dbraw/zinc/35/59/87/868355987.db2.gz KMFNPQABGSBHKM-SFHVURJKSA-N 1 1 380.448 3.796 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462414441 869396327 /nfs/dbraw/zinc/39/63/27/869396327.db2.gz LZUFOXUJQZDMEE-UXHICEINSA-N 1 1 381.476 3.554 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@@H]1C ZINC000462490061 869549247 /nfs/dbraw/zinc/54/92/47/869549247.db2.gz MZXDSXQRSSFTQJ-WMZOPIPTSA-N 1 1 384.480 3.878 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000539685849 869598583 /nfs/dbraw/zinc/59/85/83/869598583.db2.gz WEBJFWCIIHQWFV-SJORKVTESA-N 1 1 377.510 3.844 20 5 GHBDMO CC[C@]1(O)CC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000428437866 869660995 /nfs/dbraw/zinc/66/09/95/869660995.db2.gz UPTCOEMNFJIYRE-NRFANRHFSA-N 1 1 386.448 3.529 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000524890436 869735266 /nfs/dbraw/zinc/73/52/66/869735266.db2.gz DXIUBVYAAULPDB-XJKSGUPXSA-N 1 1 388.493 3.663 20 5 GHBDMO Cc1ccc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000539861823 869913490 /nfs/dbraw/zinc/91/34/90/869913490.db2.gz LPAXTDNCARCIRO-QZTJIDSGSA-N 1 1 375.513 3.615 20 5 GHBDMO CCOc1ccc(C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C(C)C)cc1 ZINC000746044532 869968497 /nfs/dbraw/zinc/96/84/97/869968497.db2.gz MUFUBKQJTCYKQQ-UHFFFAOYSA-N 1 1 385.420 3.770 20 5 GHBDMO CCOc1ccc(C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C(C)C)cc1 ZINC000746044532 869968507 /nfs/dbraw/zinc/96/85/07/869968507.db2.gz MUFUBKQJTCYKQQ-UHFFFAOYSA-N 1 1 385.420 3.770 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001127240800 870052138 /nfs/dbraw/zinc/05/21/38/870052138.db2.gz CTSAIMHRLYNCNF-CABCVRRESA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001127240800 870052147 /nfs/dbraw/zinc/05/21/47/870052147.db2.gz CTSAIMHRLYNCNF-CABCVRRESA-N 1 1 387.867 3.983 20 5 GHBDMO C[N@@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)Cc1ccccc1[N+](=O)[O-] ZINC000540078389 870402306 /nfs/dbraw/zinc/40/23/06/870402306.db2.gz PHQVJHZNRIDVOJ-UHFFFAOYSA-N 1 1 397.504 3.735 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)nc1 ZINC000538738561 870497279 /nfs/dbraw/zinc/49/72/79/870497279.db2.gz DIEPHEIYBBLLHZ-LBPRGKRZSA-N 1 1 384.333 3.834 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)nc1 ZINC000538738561 870497283 /nfs/dbraw/zinc/49/72/83/870497283.db2.gz DIEPHEIYBBLLHZ-LBPRGKRZSA-N 1 1 384.333 3.834 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(OCc4ccccn4)c3)nc2c1 ZINC000446832239 870505045 /nfs/dbraw/zinc/50/50/45/870505045.db2.gz NTCKZKBYNWSVPH-UHFFFAOYSA-N 1 1 389.415 3.735 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@H]2CCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428470125 871070867 /nfs/dbraw/zinc/07/08/67/871070867.db2.gz MPCWRUUICSRFST-SFHVURJKSA-N 1 1 386.448 3.529 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169010199 871093711 /nfs/dbraw/zinc/09/37/11/871093711.db2.gz ZVCJLVOMNXCDHN-IAGOWNOFSA-N 1 1 381.517 3.545 20 5 GHBDMO CC(C)(C)OC(=O)N1CCCC[C@]12CCC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169013415 871097941 /nfs/dbraw/zinc/09/79/41/871097941.db2.gz UXEGUDKSYLLWJD-FUHIMQAGSA-N 1 1 381.517 3.687 20 5 GHBDMO COc1ccc([C@H](C[N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)C2(O)CCCCC2)cc1 ZINC001169040042 871117471 /nfs/dbraw/zinc/11/74/71/871117471.db2.gz XFINIGXVVWVYQZ-CUWPLCDZSA-N 1 1 390.524 3.851 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169054666 871134150 /nfs/dbraw/zinc/13/41/50/871134150.db2.gz NIBIHAFFFXNRKM-VJANTYMQSA-N 1 1 395.544 3.980 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000122353661 871258933 /nfs/dbraw/zinc/25/89/33/871258933.db2.gz LCKXBFKLSVHPKX-UHFFFAOYSA-N 1 1 396.491 3.964 20 5 GHBDMO COc1cc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000447390658 871522909 /nfs/dbraw/zinc/52/29/09/871522909.db2.gz BPNVARRGCHQZRO-INIZCTEOSA-N 1 1 392.459 3.862 20 5 GHBDMO COc1cc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000447390658 871522917 /nfs/dbraw/zinc/52/29/17/871522917.db2.gz BPNVARRGCHQZRO-INIZCTEOSA-N 1 1 392.459 3.862 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)c1cnc(=O)[nH]c1C ZINC001194178986 871530746 /nfs/dbraw/zinc/53/07/46/871530746.db2.gz ALNXJUBASKXBQJ-UHFFFAOYSA-N 1 1 387.443 3.819 20 5 GHBDMO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000539242624 871583279 /nfs/dbraw/zinc/58/32/79/871583279.db2.gz BVJDZXPJPGGRFR-LJQANCHMSA-N 1 1 389.883 3.720 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000462190728 871757389 /nfs/dbraw/zinc/75/73/89/871757389.db2.gz QLOLXYNCZSFUED-MGPUTAFESA-N 1 1 399.466 3.648 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1OC ZINC000463453810 871785109 /nfs/dbraw/zinc/78/51/09/871785109.db2.gz LOTQQYNXLXQOST-NVXWUHKLSA-N 1 1 388.468 3.672 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1OC ZINC000463453810 871785127 /nfs/dbraw/zinc/78/51/27/871785127.db2.gz LOTQQYNXLXQOST-NVXWUHKLSA-N 1 1 388.468 3.672 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC001194715494 871912443 /nfs/dbraw/zinc/91/24/43/871912443.db2.gz POUKCAIAPSVEAQ-IBGZPJMESA-N 1 1 379.460 3.536 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598306 871914593 /nfs/dbraw/zinc/91/45/93/871914593.db2.gz UZNHVHXOEZKTSW-GGAORHGYSA-N 1 1 395.503 3.853 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598306 871914612 /nfs/dbraw/zinc/91/46/12/871914612.db2.gz UZNHVHXOEZKTSW-GGAORHGYSA-N 1 1 395.503 3.853 20 5 GHBDMO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC000552045370 871930622 /nfs/dbraw/zinc/93/06/22/871930622.db2.gz FIJTUQHNXQLAMH-OTWHNJEPSA-N 1 1 386.496 3.991 20 5 GHBDMO CN(CCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000552051459 871982686 /nfs/dbraw/zinc/98/26/86/871982686.db2.gz ZUKFIYQXSRWVJB-FQEVSTJZSA-N 1 1 379.464 3.534 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000766974290 872132000 /nfs/dbraw/zinc/13/20/00/872132000.db2.gz HSVIIXLSNAEQBB-UHFFFAOYSA-N 1 1 383.920 3.819 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552246257 872303735 /nfs/dbraw/zinc/30/37/35/872303735.db2.gz NXDCKOGFUXEWDM-LJQANCHMSA-N 1 1 380.423 3.878 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000478014241 872318873 /nfs/dbraw/zinc/31/88/73/872318873.db2.gz GBHQDBYNOGRAFF-ZWKOTPCHSA-N 1 1 375.469 3.511 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000478014232 872319111 /nfs/dbraw/zinc/31/91/11/872319111.db2.gz GBHQDBYNOGRAFF-MSOLQXFVSA-N 1 1 375.469 3.511 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+](Cc3ccc(OCC(=O)OC)c([N+](=O)[O-])c3)C2)cc1 ZINC000552273065 872363501 /nfs/dbraw/zinc/36/35/01/872363501.db2.gz QJQJUEQHWIAZHA-IBGZPJMESA-N 1 1 398.459 3.699 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC001195639589 872526766 /nfs/dbraw/zinc/52/67/66/872526766.db2.gz WCYHLWGVHBMEGY-MRXNPFEDSA-N 1 1 375.469 3.977 20 5 GHBDMO COc1cc(C[NH2+][C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000527075255 872610204 /nfs/dbraw/zinc/61/02/04/872610204.db2.gz YOZLMLFTJSJJBB-LJQANCHMSA-N 1 1 393.390 3.883 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448026011 872686392 /nfs/dbraw/zinc/68/63/92/872686392.db2.gz GQQWGHKRKDNSFM-HNAYVOBHSA-N 1 1 382.464 3.825 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448026011 872686405 /nfs/dbraw/zinc/68/64/05/872686405.db2.gz GQQWGHKRKDNSFM-HNAYVOBHSA-N 1 1 382.464 3.825 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000767886456 872914130 /nfs/dbraw/zinc/91/41/30/872914130.db2.gz XLZNMKFQIAUNHC-CQSZACIVSA-N 1 1 393.365 3.702 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000463946497 872929566 /nfs/dbraw/zinc/92/95/66/872929566.db2.gz AAKGZYSFZGWGLQ-MRXNPFEDSA-N 1 1 382.464 3.780 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000463971903 872997465 /nfs/dbraw/zinc/99/74/65/872997465.db2.gz VBGAGNBXWVMXNL-WMZOPIPTSA-N 1 1 382.464 3.996 20 5 GHBDMO COc1ccc([C@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000128178021 873035492 /nfs/dbraw/zinc/03/54/92/873035492.db2.gz DCCNEZSNRWSLMY-ZDUSSCGKSA-N 1 1 375.400 3.764 20 5 GHBDMO COc1ccc(OCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c([N+](=O)[O-])c1 ZINC000768543736 873403478 /nfs/dbraw/zinc/40/34/78/873403478.db2.gz GAVJMHPPJHHEJX-UHFFFAOYSA-N 1 1 387.392 3.555 20 5 GHBDMO CC(C)[C@H](c1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541347751 873405850 /nfs/dbraw/zinc/40/58/50/873405850.db2.gz MSKDXFFWDABGPD-LJQANCHMSA-N 1 1 376.478 3.698 20 5 GHBDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541347751 873405861 /nfs/dbraw/zinc/40/58/61/873405861.db2.gz MSKDXFFWDABGPD-LJQANCHMSA-N 1 1 376.478 3.698 20 5 GHBDMO C[C@]1(Cc2ccc(Cl)c(F)c2)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001197005019 873524096 /nfs/dbraw/zinc/52/40/96/873524096.db2.gz WXIYNXJWQQODMI-LJQANCHMSA-N 1 1 393.846 3.646 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CCNC(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543325 873801973 /nfs/dbraw/zinc/80/19/73/873801973.db2.gz GMNJGDGKRYOZBY-OAQYLSRUSA-N 1 1 393.443 3.859 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CCN(C)CC(F)(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545219 873806823 /nfs/dbraw/zinc/80/68/23/873806823.db2.gz DMDPYRIYVOTAQJ-QGZVFWFLSA-N 1 1 385.386 3.923 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448715468 873844339 /nfs/dbraw/zinc/84/43/39/873844339.db2.gz SLFFXCIICJOTOU-BETUJISGSA-N 1 1 387.402 3.711 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448783113 873965734 /nfs/dbraw/zinc/96/57/34/873965734.db2.gz GJDPEJZVGPJCTN-FRRDWIJNSA-N 1 1 387.402 3.710 20 5 GHBDMO C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541603719 873970087 /nfs/dbraw/zinc/97/00/87/873970087.db2.gz VIRGSSCACMPCMC-LZLYRXPVSA-N 1 1 399.466 3.864 20 5 GHBDMO C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541680335 874084158 /nfs/dbraw/zinc/08/41/58/874084158.db2.gz GEZNWUXLFFELFM-MRXNPFEDSA-N 1 1 391.487 3.952 20 5 GHBDMO COc1cc(C[N@H+]2CCc3ccc(O)cc3CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000609133297 874131538 /nfs/dbraw/zinc/13/15/38/874131538.db2.gz HOHMVNRWIRGOCX-UHFFFAOYSA-N 1 1 394.374 3.511 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cncn1C(C)C ZINC001198113877 874238411 /nfs/dbraw/zinc/23/84/11/874238411.db2.gz AOENJVQNMSHNSU-UHFFFAOYSA-N 1 1 389.459 3.721 20 5 GHBDMO Cc1cc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc(N2CCCC2)[nH+]1 ZINC000464700891 874308082 /nfs/dbraw/zinc/30/80/82/874308082.db2.gz RYAHQGPIHVCWOI-UHFFFAOYSA-N 1 1 382.464 3.754 20 5 GHBDMO CC(C)N(C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000464783793 874488126 /nfs/dbraw/zinc/48/81/26/874488126.db2.gz QGMOCRLQBLMQJN-UHFFFAOYSA-N 1 1 397.475 3.880 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000770376579 874617894 /nfs/dbraw/zinc/61/78/94/874617894.db2.gz WBACAANFQKQNHS-CXAGYDPISA-N 1 1 394.313 3.806 20 5 GHBDMO C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000464884795 874688181 /nfs/dbraw/zinc/68/81/81/874688181.db2.gz JIDNSXQKBPZQPD-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000464894463 874734706 /nfs/dbraw/zinc/73/47/06/874734706.db2.gz LEMMKKQQFYAZPZ-QGZVFWFLSA-N 1 1 397.475 3.730 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000449459776 874885991 /nfs/dbraw/zinc/88/59/91/874885991.db2.gz LWFCTXPEMMCDRZ-OIOSCTRGSA-N 1 1 396.491 3.628 20 5 GHBDMO CCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000542200965 875133750 /nfs/dbraw/zinc/13/37/50/875133750.db2.gz QFFAUNBDSODKFP-HXUWFJFHSA-N 1 1 388.489 3.768 20 5 GHBDMO CCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000542200965 875133761 /nfs/dbraw/zinc/13/37/61/875133761.db2.gz QFFAUNBDSODKFP-HXUWFJFHSA-N 1 1 388.489 3.768 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000542252178 875222849 /nfs/dbraw/zinc/22/28/49/875222849.db2.gz HKTFJYQIHAFBBH-QRWLVFNGSA-N 1 1 383.448 3.649 20 5 GHBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000550961475 882920898 /nfs/dbraw/zinc/92/08/98/882920898.db2.gz GZNNVZBUUDGNSI-ZDUSSCGKSA-N 1 1 395.381 3.864 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491382579 875662221 /nfs/dbraw/zinc/66/22/21/875662221.db2.gz QURHIRZSXSPDME-FUHWJXTLSA-N 1 1 382.464 3.935 20 5 GHBDMO C[C@@H](NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000271881175 875839982 /nfs/dbraw/zinc/83/99/82/875839982.db2.gz ZBVJTEDRKFWHHS-HZPDHXFCSA-N 1 1 398.463 3.871 20 5 GHBDMO CC[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129931211 876034927 /nfs/dbraw/zinc/03/49/27/876034927.db2.gz CXNHQVKJJHHUKI-LSTHTHJFSA-N 1 1 386.496 3.704 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804536687 883026326 /nfs/dbraw/zinc/02/63/26/883026326.db2.gz ZGCBAYLANXGGSR-OAQYLSRUSA-N 1 1 399.878 3.986 20 5 GHBDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000492238699 876496220 /nfs/dbraw/zinc/49/62/20/876496220.db2.gz WLPDKOGZVNYYQD-CYBMUJFWSA-N 1 1 389.477 3.784 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000492238699 876496223 /nfs/dbraw/zinc/49/62/23/876496223.db2.gz WLPDKOGZVNYYQD-CYBMUJFWSA-N 1 1 389.477 3.784 20 5 GHBDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1SC ZINC000492252852 876536142 /nfs/dbraw/zinc/53/61/42/876536142.db2.gz MJKBWXDEJBSHIH-CYBMUJFWSA-N 1 1 389.477 3.784 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1SC ZINC000492252852 876536152 /nfs/dbraw/zinc/53/61/52/876536152.db2.gz MJKBWXDEJBSHIH-CYBMUJFWSA-N 1 1 389.477 3.784 20 5 GHBDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000537660181 883056288 /nfs/dbraw/zinc/05/62/88/883056288.db2.gz ATCZPMYPHVZDQT-SOFGYWHQSA-N 1 1 398.459 3.735 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@]34OCCC[C@H]3C4(F)F)cs2)c1 ZINC000850378852 876863563 /nfs/dbraw/zinc/86/35/63/876863563.db2.gz VTPXRSXIOYGVHZ-ZBFHGGJFSA-N 1 1 381.404 3.622 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)ccc1[N+](=O)[O-] ZINC000492515723 876977036 /nfs/dbraw/zinc/97/70/36/876977036.db2.gz RTHYYCRSMJUANG-KRWDZBQOSA-N 1 1 398.463 3.548 20 5 GHBDMO COC(=O)c1nc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1Cl ZINC000850516897 876988632 /nfs/dbraw/zinc/98/86/32/876988632.db2.gz ZDCBCFXMKMBUMG-INIZCTEOSA-N 1 1 389.839 3.942 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000609977935 877239821 /nfs/dbraw/zinc/23/98/21/877239821.db2.gz HYCVIDMCNOSBNF-KXBFYZLASA-N 1 1 385.439 3.859 20 5 GHBDMO Cc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[nH]n1 ZINC000610010059 877293117 /nfs/dbraw/zinc/29/31/17/877293117.db2.gz RZXXBEZNFSYFIA-UHFFFAOYSA-N 1 1 391.225 3.939 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000746672077 877321363 /nfs/dbraw/zinc/32/13/63/877321363.db2.gz GKBVIYYPDFGZJR-WFASDCNBSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000746672077 877321385 /nfs/dbraw/zinc/32/13/85/877321385.db2.gz GKBVIYYPDFGZJR-WFASDCNBSA-N 1 1 383.876 3.983 20 5 GHBDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000477275742 877331618 /nfs/dbraw/zinc/33/16/18/877331618.db2.gz JKUDTOIIFGKKGO-CEMLEFRQSA-N 1 1 384.476 3.993 20 5 GHBDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451142060 877416363 /nfs/dbraw/zinc/41/63/63/877416363.db2.gz FHTUIXMCRRKKFE-SCRDCRAPSA-N 1 1 385.386 3.535 20 5 GHBDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451142060 877416375 /nfs/dbraw/zinc/41/63/75/877416375.db2.gz FHTUIXMCRRKKFE-SCRDCRAPSA-N 1 1 385.386 3.535 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@](C)(COC)C2)cc1OC ZINC000451203002 877570472 /nfs/dbraw/zinc/57/04/72/877570472.db2.gz OSGYJIIKYAUUQI-QRWLVFNGSA-N 1 1 380.485 3.887 20 5 GHBDMO CN(CC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000851751431 877898735 /nfs/dbraw/zinc/89/87/35/877898735.db2.gz MWPSHCWHWYCHGB-UHFFFAOYSA-N 1 1 381.448 3.813 20 5 GHBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)c2)C[C@@H](C)O1 ZINC000152373498 877915184 /nfs/dbraw/zinc/91/51/84/877915184.db2.gz LOFDGGIDQXCVNH-IAGOWNOFSA-N 1 1 397.475 3.775 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cc(F)ccc1N1CCC(O)CC1 ZINC000851900814 877967327 /nfs/dbraw/zinc/96/73/27/877967327.db2.gz ZQXKKZGFTGNAQF-CYBMUJFWSA-N 1 1 391.418 3.685 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H](O)COc3cccc4[nH]ccc43)C2)cc1 ZINC000451543487 878113227 /nfs/dbraw/zinc/11/32/27/878113227.db2.gz BZSZLPCMYUFSKJ-HKUYNNGSSA-N 1 1 395.459 3.695 20 5 GHBDMO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546763 878120249 /nfs/dbraw/zinc/12/02/49/878120249.db2.gz JSQLKFYMDPUGHH-YOEHRIQHSA-N 1 1 379.420 3.980 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000615838836 878155633 /nfs/dbraw/zinc/15/56/33/878155633.db2.gz NDOPBQIZMVLDHJ-GHRIWEEISA-N 1 1 381.480 3.734 20 5 GHBDMO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001170086378 878170323 /nfs/dbraw/zinc/17/03/23/878170323.db2.gz SBXIBKCTXIMORQ-XLIONFOSSA-N 1 1 389.496 3.860 20 5 GHBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000537719472 878188168 /nfs/dbraw/zinc/18/81/68/878188168.db2.gz AIVQMRNXULCZBB-UHFFFAOYSA-N 1 1 377.466 3.882 20 5 GHBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000776579177 878190198 /nfs/dbraw/zinc/19/01/98/878190198.db2.gz LEOGPEOXRASQJZ-SQNIBIBYSA-N 1 1 397.258 3.525 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000776582040 878198729 /nfs/dbraw/zinc/19/87/29/878198729.db2.gz OTDXDDJPVUETMM-OALUTQOASA-N 1 1 394.431 3.905 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000776582040 878198740 /nfs/dbraw/zinc/19/87/40/878198740.db2.gz OTDXDDJPVUETMM-OALUTQOASA-N 1 1 394.431 3.905 20 5 GHBDMO COc1ccc(OC)c(C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)c1 ZINC000776585819 878233812 /nfs/dbraw/zinc/23/38/12/878233812.db2.gz ABRMLKKTJLNTFK-IBGZPJMESA-N 1 1 388.464 3.946 20 5 GHBDMO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776595921 878343898 /nfs/dbraw/zinc/34/38/98/878343898.db2.gz COAQJMYCSCWEKN-XIKOKIGWSA-N 1 1 391.265 3.838 20 5 GHBDMO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776595921 878343913 /nfs/dbraw/zinc/34/39/13/878343913.db2.gz COAQJMYCSCWEKN-XIKOKIGWSA-N 1 1 391.265 3.838 20 5 GHBDMO O=C(N1CCC[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000852473196 878352523 /nfs/dbraw/zinc/35/25/23/878352523.db2.gz KCWBCAJXYFVHFU-HOCLYGCPSA-N 1 1 399.413 3.750 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452169567 879075186 /nfs/dbraw/zinc/07/51/86/879075186.db2.gz GJVHGXYYTDDWKF-CQSZACIVSA-N 1 1 377.510 3.653 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1)C1CC1 ZINC000461396768 879731599 /nfs/dbraw/zinc/73/15/99/879731599.db2.gz AZBPNXKENMZIEZ-UHFFFAOYSA-N 1 1 395.459 3.614 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000531690281 880294048 /nfs/dbraw/zinc/29/40/48/880294048.db2.gz JZFNIVALJAETHY-LLVKDONJSA-N 1 1 379.342 3.816 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000520244855 880500879 /nfs/dbraw/zinc/50/08/79/880500879.db2.gz RDOURIPIVLMLBK-MRXNPFEDSA-N 1 1 385.464 3.885 20 5 GHBDMO COc1cc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)cc([N+](=O)[O-])c1C ZINC000791981671 880820546 /nfs/dbraw/zinc/82/05/46/880820546.db2.gz YBLMWQPJTTYJNX-HKUYNNGSSA-N 1 1 395.459 3.668 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1Br)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000792457053 881109304 /nfs/dbraw/zinc/10/93/04/881109304.db2.gz FBGPLHRTWORJPT-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1ccc(F)cc1Br)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000792457053 881109307 /nfs/dbraw/zinc/10/93/07/881109307.db2.gz FBGPLHRTWORJPT-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000499118009 881189317 /nfs/dbraw/zinc/18/93/17/881189317.db2.gz ZXEDVAOIFYPICD-ZWOKBUDYSA-N 1 1 396.491 3.926 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[N@H+]1C1CC1 ZINC000152984585 881286186 /nfs/dbraw/zinc/28/61/86/881286186.db2.gz HATXLMADIORIGG-ZIAGYGMSSA-N 1 1 389.521 3.985 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000609383286 883124361 /nfs/dbraw/zinc/12/43/61/883124361.db2.gz LBOPVTGUTHBPBF-INIZCTEOSA-N 1 1 381.432 3.601 20 5 GHBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000804649504 883163376 /nfs/dbraw/zinc/16/33/76/883163376.db2.gz BLWUZXFZBZFYQB-LJQANCHMSA-N 1 1 383.448 3.500 20 5 GHBDMO COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1C ZINC001183617479 912702893 /nfs/dbraw/zinc/70/28/93/912702893.db2.gz DFONNTKPUGKQKV-INIZCTEOSA-N 1 1 389.839 3.848 20 5 GHBDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000537695670 883397152 /nfs/dbraw/zinc/39/71/52/883397152.db2.gz AFVRRTBVFVXWBO-YCRPNKLZSA-N 1 1 392.459 3.819 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000609614069 883455842 /nfs/dbraw/zinc/45/58/42/883455842.db2.gz LSPDGIHTTHRLGO-IRXDYDNUSA-N 1 1 389.496 3.548 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000064521848 883584781 /nfs/dbraw/zinc/58/47/81/883584781.db2.gz OIKWWRPSUAYPHW-CQSZACIVSA-N 1 1 398.488 3.780 20 5 GHBDMO CC(C)(C)OC(=O)N1CC(CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000859166637 883634952 /nfs/dbraw/zinc/63/49/52/883634952.db2.gz HGMXQMJYNIXDLL-UHFFFAOYSA-N 1 1 375.469 3.816 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609792569 883686946 /nfs/dbraw/zinc/68/69/46/883686946.db2.gz AQWZOXWPPVJLAW-OKILXGFUSA-N 1 1 381.904 3.663 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000609792687 883687069 /nfs/dbraw/zinc/68/70/69/883687069.db2.gz QEMRZNHEIQXNQK-UHFFFAOYSA-N 1 1 393.915 3.905 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000175416027 883775085 /nfs/dbraw/zinc/77/50/85/883775085.db2.gz YGNRJHUJRRIPPA-MRXNPFEDSA-N 1 1 387.867 3.842 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCCN(c4ccccc4F)CC3)c2)cc1 ZINC000795729924 912750034 /nfs/dbraw/zinc/75/00/34/912750034.db2.gz VSPZIAXYDGIACX-UHFFFAOYSA-N 1 1 395.438 3.767 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCCN(c4ccccc4F)CC3)c2)cc1 ZINC000795729924 912750043 /nfs/dbraw/zinc/75/00/43/912750043.db2.gz VSPZIAXYDGIACX-UHFFFAOYSA-N 1 1 395.438 3.767 20 5 GHBDMO C[NH+](C)C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000859848008 884119810 /nfs/dbraw/zinc/11/98/10/884119810.db2.gz ZJWXDGJXPVUREO-ZWKOTPCHSA-N 1 1 398.290 3.828 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)sc2C1 ZINC000860742460 884962883 /nfs/dbraw/zinc/96/28/83/884962883.db2.gz NAZCOOUOBIOJRU-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)sc2C1 ZINC000860742460 884962899 /nfs/dbraw/zinc/96/28/99/884962899.db2.gz NAZCOOUOBIOJRU-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO COc1cccc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000194883512 885308277 /nfs/dbraw/zinc/30/82/77/885308277.db2.gz INHYLTBVKNUJBQ-UHFFFAOYSA-N 1 1 383.448 3.730 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@]4(C3)OCc3ccccc34)c2)c1 ZINC000774701999 912927114 /nfs/dbraw/zinc/92/71/14/912927114.db2.gz RDOBVMYYPBOBTF-JOCHJYFZSA-N 1 1 390.443 3.937 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCC[C@]4(C3)OCc3ccccc34)c2)c1 ZINC000774701999 912927133 /nfs/dbraw/zinc/92/71/33/912927133.db2.gz RDOBVMYYPBOBTF-JOCHJYFZSA-N 1 1 390.443 3.937 20 5 GHBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OC(F)F)cc1 ZINC000171127746 885735991 /nfs/dbraw/zinc/73/59/91/885735991.db2.gz MPFAEVQXBPSBLF-LLVKDONJSA-N 1 1 380.347 3.914 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301061290 886124686 /nfs/dbraw/zinc/12/46/86/886124686.db2.gz DWCQKODQQVVLQN-UHFFFAOYSA-N 1 1 396.834 3.759 20 5 GHBDMO O=C(CC[NH2+][C@H](c1nccs1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000195036577 886153602 /nfs/dbraw/zinc/15/36/02/886153602.db2.gz DJXAOUVMFJADRY-SFHVURJKSA-N 1 1 382.445 3.759 20 5 GHBDMO CC1CCC([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000499057776 886487350 /nfs/dbraw/zinc/48/73/50/886487350.db2.gz XJCQXNBTLLGCLY-UHFFFAOYSA-N 1 1 384.274 3.806 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CNc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193507907 886500715 /nfs/dbraw/zinc/50/07/15/886500715.db2.gz MXNVFSIXQAUXAD-IYBDPMFKSA-N 1 1 385.464 3.825 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CNc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193507907 886500727 /nfs/dbraw/zinc/50/07/27/886500727.db2.gz MXNVFSIXQAUXAD-IYBDPMFKSA-N 1 1 385.464 3.825 20 5 GHBDMO Cc1c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000454201369 886630549 /nfs/dbraw/zinc/63/05/49/886630549.db2.gz PFXNMYUFZCRXJR-MRXNPFEDSA-N 1 1 382.464 3.889 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000762925852 887108048 /nfs/dbraw/zinc/10/80/48/887108048.db2.gz HSSPLRJHQCCJNB-QFIPXVFZSA-N 1 1 395.503 3.616 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000129848753 887356733 /nfs/dbraw/zinc/35/67/33/887356733.db2.gz BQOPIIJUEBCLMO-SJKOYZFVSA-N 1 1 377.441 3.608 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000762975434 887476796 /nfs/dbraw/zinc/47/67/96/887476796.db2.gz WCLMLYSZBHOORN-ZRCAFCQKSA-N 1 1 379.460 3.841 20 5 GHBDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153764990 887797477 /nfs/dbraw/zinc/79/74/77/887797477.db2.gz UNBKIVNQXDRVIN-JOCHJYFZSA-N 1 1 394.475 3.871 20 5 GHBDMO COc1cc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000272573583 887841698 /nfs/dbraw/zinc/84/16/98/887841698.db2.gz WQMGIYWDZHIYQG-HXUWFJFHSA-N 1 1 380.448 3.567 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000796031680 913187365 /nfs/dbraw/zinc/18/73/65/913187365.db2.gz QKXHUQQOQPFPJA-OKILXGFUSA-N 1 1 381.860 3.547 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000796031680 913187370 /nfs/dbraw/zinc/18/73/70/913187370.db2.gz QKXHUQQOQPFPJA-OKILXGFUSA-N 1 1 381.860 3.547 20 5 GHBDMO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000809994881 888050033 /nfs/dbraw/zinc/05/00/33/888050033.db2.gz HRKWUGCTXCLFLZ-KRWDZBQOSA-N 1 1 376.840 3.918 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(OCCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000194340145 888227951 /nfs/dbraw/zinc/22/79/51/888227951.db2.gz QYWRAVWMHGNEAC-MRXNPFEDSA-N 1 1 377.485 3.757 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001132308220 888585351 /nfs/dbraw/zinc/58/53/51/888585351.db2.gz ZSYVMNJIINYTAG-NVXWUHKLSA-N 1 1 399.516 3.815 20 5 GHBDMO C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454329057 888863842 /nfs/dbraw/zinc/86/38/42/888863842.db2.gz QRVPNTLILOVYSR-BBWFWOEESA-N 1 1 376.501 3.713 20 5 GHBDMO CNc1ccc(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000532798848 888965110 /nfs/dbraw/zinc/96/51/10/888965110.db2.gz QAJMQSHJJYZKOI-FUHWJXTLSA-N 1 1 396.491 3.667 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000154135328 889320985 /nfs/dbraw/zinc/32/09/85/889320985.db2.gz QECGTUBHOMQVOG-CYBMUJFWSA-N 1 1 379.810 3.954 20 5 GHBDMO COc1ccccc1CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000532943104 889352120 /nfs/dbraw/zinc/35/21/20/889352120.db2.gz AOZYOLVUQZKOMN-MRXNPFEDSA-N 1 1 397.475 3.885 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1ccccc1 ZINC000532933949 889375871 /nfs/dbraw/zinc/37/58/71/889375871.db2.gz QAIJZDAUCMPGKF-KRWDZBQOSA-N 1 1 385.464 3.941 20 5 GHBDMO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000532933986 889376003 /nfs/dbraw/zinc/37/60/03/889376003.db2.gz AITBSSAWIFPAQK-CQSZACIVSA-N 1 1 391.855 3.896 20 5 GHBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000532933986 889376017 /nfs/dbraw/zinc/37/60/17/889376017.db2.gz AITBSSAWIFPAQK-CQSZACIVSA-N 1 1 391.855 3.896 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000811444903 889601044 /nfs/dbraw/zinc/60/10/44/889601044.db2.gz NFHNEYUAQDCRJC-LJQANCHMSA-N 1 1 391.399 3.506 20 5 GHBDMO COC1CCN(C(C)(C)C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811481266 889667113 /nfs/dbraw/zinc/66/71/13/889667113.db2.gz UDOOHMFFOZZURA-UHFFFAOYSA-N 1 1 390.311 3.881 20 5 GHBDMO COc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000105731521 890598864 /nfs/dbraw/zinc/59/88/64/890598864.db2.gz PNOLOCYUPRQGCI-LBPRGKRZSA-N 1 1 377.828 3.888 20 5 GHBDMO COc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000105731521 890598869 /nfs/dbraw/zinc/59/88/69/890598869.db2.gz PNOLOCYUPRQGCI-LBPRGKRZSA-N 1 1 377.828 3.888 20 5 GHBDMO COc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000105731522 890599069 /nfs/dbraw/zinc/59/90/69/890599069.db2.gz PNOLOCYUPRQGCI-GFCCVEGCSA-N 1 1 377.828 3.888 20 5 GHBDMO COc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000105731522 890599079 /nfs/dbraw/zinc/59/90/79/890599079.db2.gz PNOLOCYUPRQGCI-GFCCVEGCSA-N 1 1 377.828 3.888 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000105893235 890875976 /nfs/dbraw/zinc/87/59/76/890875976.db2.gz PXOIGLOYBFLRQW-UHFFFAOYSA-N 1 1 379.526 3.899 20 5 GHBDMO CCOc1cc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000812843210 891032937 /nfs/dbraw/zinc/03/29/37/891032937.db2.gz OMVJQETYCJBRFD-IBGZPJMESA-N 1 1 397.447 3.543 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872023363 891122337 /nfs/dbraw/zinc/12/23/37/891122337.db2.gz REZUMYSJAPPZMI-QLFBSQMISA-N 1 1 388.443 3.593 20 5 GHBDMO COc1cc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])ccc1OCCO ZINC000872026906 891124452 /nfs/dbraw/zinc/12/44/52/891124452.db2.gz IWJWIRDRGBHVJW-QWHCGFSZSA-N 1 1 378.400 3.525 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000872279310 891227555 /nfs/dbraw/zinc/22/75/55/891227555.db2.gz HPTFDGXTKQFCSO-NVXWUHKLSA-N 1 1 375.469 3.654 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000814175950 892329274 /nfs/dbraw/zinc/32/92/74/892329274.db2.gz KWBADGZRTZTNSW-DLBZAZTESA-N 1 1 375.469 3.735 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000747966642 893024387 /nfs/dbraw/zinc/02/43/87/893024387.db2.gz HEQNLEXVYNJEMP-LBPRGKRZSA-N 1 1 379.810 3.954 20 5 GHBDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815051694 893368783 /nfs/dbraw/zinc/36/87/83/893368783.db2.gz XZNDJJZVIMFEMO-UHFFFAOYSA-N 1 1 391.390 3.960 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498188725 893529362 /nfs/dbraw/zinc/52/93/62/893529362.db2.gz YAFOAUABWIYFDU-NVXWUHKLSA-N 1 1 390.443 3.708 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877975795 893923954 /nfs/dbraw/zinc/92/39/54/893923954.db2.gz JWIJESCQEKQTJI-UHFFFAOYSA-N 1 1 387.484 3.589 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459674148 894047087 /nfs/dbraw/zinc/04/70/87/894047087.db2.gz KFGIHTHVJQEJJO-HKUYNNGSSA-N 1 1 383.448 3.810 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH+]2CCC(OCC3CC3)CC2)o1 ZINC000878152299 894053988 /nfs/dbraw/zinc/05/39/88/894053988.db2.gz IOWNLOZSRNDCPU-UHFFFAOYSA-N 1 1 392.843 3.689 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878162396 894061816 /nfs/dbraw/zinc/06/18/16/894061816.db2.gz DWPUYAVHJWWSSX-OCCSQVGLSA-N 1 1 393.875 3.603 20 5 GHBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000217678118 894235627 /nfs/dbraw/zinc/23/56/27/894235627.db2.gz POZZDDODVHTELV-TXEJJXNPSA-N 1 1 375.391 3.913 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774876697 913866340 /nfs/dbraw/zinc/86/63/40/913866340.db2.gz QXMGMLVQCXOJLH-INIZCTEOSA-N 1 1 384.436 3.599 20 5 GHBDMO COc1ccc(CC(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000816455193 894816140 /nfs/dbraw/zinc/81/61/40/894816140.db2.gz OLGTXRCDTSOJCW-OXJNMPFZSA-N 1 1 398.459 3.600 20 5 GHBDMO COc1ccc(CC(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000816455195 894816673 /nfs/dbraw/zinc/81/66/73/894816673.db2.gz OLGTXRCDTSOJCW-UZLBHIALSA-N 1 1 398.459 3.600 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000565322038 895532614 /nfs/dbraw/zinc/53/26/14/895532614.db2.gz QTLPRTTWPSMBQE-HNNXBMFYSA-N 1 1 399.495 3.725 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000817427288 895615347 /nfs/dbraw/zinc/61/53/47/895615347.db2.gz RPMJHKUHRDYOIR-UHFFFAOYSA-N 1 1 382.464 3.606 20 5 GHBDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000880518465 895738328 /nfs/dbraw/zinc/73/83/28/895738328.db2.gz JSPWSKVOJUMWQH-DFVIVQSZSA-N 1 1 393.447 3.894 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)o1 ZINC000880577635 895754527 /nfs/dbraw/zinc/75/45/27/895754527.db2.gz NDIYZYYFXFYWKW-MRXNPFEDSA-N 1 1 386.452 3.674 20 5 GHBDMO O=[N+]([O-])c1ccc(Cn2cc(C[NH2+][C@@H]3CCCc4ccccc43)nn2)c(F)c1 ZINC000881307462 896284090 /nfs/dbraw/zinc/28/40/90/896284090.db2.gz XLQCESGZWOLESM-HXUWFJFHSA-N 1 1 381.411 3.541 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001136225012 896700000 /nfs/dbraw/zinc/70/00/00/896700000.db2.gz PJFOFANEILMBJE-MRXNPFEDSA-N 1 1 383.448 3.849 20 5 GHBDMO O=C(C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)NCc1ccc(F)cc1 ZINC000567349625 897083840 /nfs/dbraw/zinc/08/38/40/897083840.db2.gz XMPGVMRPALPPSJ-SFHVURJKSA-N 1 1 385.439 3.652 20 5 GHBDMO COc1cc(C[NH2+]Cc2cccc(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131326582 897410424 /nfs/dbraw/zinc/41/04/24/897410424.db2.gz RJTLYNUBUGTCBI-UHFFFAOYSA-N 1 1 388.317 3.973 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3CN3CCCCC3)o2)c1 ZINC000104694524 898156401 /nfs/dbraw/zinc/15/64/01/898156401.db2.gz HJFOBULANQTYNN-LJQANCHMSA-N 1 1 384.480 3.743 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3CN3CCCCC3)o2)c1 ZINC000104694524 898156409 /nfs/dbraw/zinc/15/64/09/898156409.db2.gz HJFOBULANQTYNN-LJQANCHMSA-N 1 1 384.480 3.743 20 5 GHBDMO CC(C)[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000569171243 898388205 /nfs/dbraw/zinc/38/82/05/898388205.db2.gz NQVYEFFLOAWNMT-VGOFRKELSA-N 1 1 395.503 3.897 20 5 GHBDMO Cn1ccnc1[C@@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000569248697 898465523 /nfs/dbraw/zinc/46/55/23/898465523.db2.gz CLQCDFAKXMZNOJ-SFTDATJTSA-N 1 1 397.523 3.804 20 5 GHBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000569655685 898856775 /nfs/dbraw/zinc/85/67/75/898856775.db2.gz YHOWKSGHCZPYRU-INIZCTEOSA-N 1 1 384.480 3.665 20 5 GHBDMO CCNc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000824383047 899576288 /nfs/dbraw/zinc/57/62/88/899576288.db2.gz JHVLAKWZKHVHIU-XLIONFOSSA-N 1 1 394.475 3.783 20 5 GHBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2C1 ZINC000156265606 899617428 /nfs/dbraw/zinc/61/74/28/899617428.db2.gz QFANWQDCWDTICC-UHFFFAOYSA-N 1 1 384.392 3.727 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)o2)c1 ZINC000289828510 914369228 /nfs/dbraw/zinc/36/92/28/914369228.db2.gz UFKZZUXBQDIBDK-BBRMVZONSA-N 1 1 384.354 3.848 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@@H]1C ZINC001136945746 899817550 /nfs/dbraw/zinc/81/75/50/899817550.db2.gz YIOHHAPMAQDGCB-DOTOQJQBSA-N 1 1 382.464 3.602 20 5 GHBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000156659945 899937954 /nfs/dbraw/zinc/93/79/54/899937954.db2.gz NBHKLKCMWMYYFV-PXNSSMCTSA-N 1 1 397.450 3.861 20 5 GHBDMO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000121137564 899962544 /nfs/dbraw/zinc/96/25/44/899962544.db2.gz ILBHETVJXYNQOF-NSHDSACASA-N 1 1 382.873 3.596 20 5 GHBDMO CC[N@@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000121137564 899962553 /nfs/dbraw/zinc/96/25/53/899962553.db2.gz ILBHETVJXYNQOF-NSHDSACASA-N 1 1 382.873 3.596 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000045622692 900306221 /nfs/dbraw/zinc/30/62/21/900306221.db2.gz VQMUUXNJDYKLIP-QGZVFWFLSA-N 1 1 396.491 3.969 20 5 GHBDMO C[C@]1(CNc2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+](Cc2ccccc2)C1 ZINC001186316225 914467809 /nfs/dbraw/zinc/46/78/09/914467809.db2.gz PXPPNYYGRCAOIM-OAQYLSRUSA-N 1 1 377.448 3.862 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001186316488 914467876 /nfs/dbraw/zinc/46/78/76/914467876.db2.gz VLRRFJBZIILXOJ-NRFANRHFSA-N 1 1 383.448 3.706 20 5 GHBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000886059683 900697679 /nfs/dbraw/zinc/69/76/79/900697679.db2.gz KFQNZVWPYQXFRB-OAHLLOKOSA-N 1 1 383.383 3.559 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000574348025 900854370 /nfs/dbraw/zinc/85/43/70/900854370.db2.gz PLPBKNVWBUTXSF-HDMKZQKVSA-N 1 1 391.537 3.898 20 5 GHBDMO COC(=O)c1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000574366915 900866019 /nfs/dbraw/zinc/86/60/19/900866019.db2.gz ZSAJQZHILKJMQC-UHFFFAOYSA-N 1 1 383.429 3.795 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000303247153 914509234 /nfs/dbraw/zinc/50/92/34/914509234.db2.gz AKWFRJUIZHUGJP-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)nc2c1 ZINC000576910183 902351831 /nfs/dbraw/zinc/35/18/31/902351831.db2.gz ARWXEMNYTIQMRR-ZWKOTPCHSA-N 1 1 392.459 3.690 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccc(-n4cncn4)c(F)c3)C2)cc1 ZINC000577339627 902696704 /nfs/dbraw/zinc/69/67/04/902696704.db2.gz KDHCREYZMFFDAG-KRWDZBQOSA-N 1 1 381.411 3.694 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000577521109 902841921 /nfs/dbraw/zinc/84/19/21/902841921.db2.gz NUHSVKLFIDZONI-UHFFFAOYSA-N 1 1 397.475 3.602 20 5 GHBDMO C[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1n1ccnc1 ZINC000129729640 902846221 /nfs/dbraw/zinc/84/62/21/902846221.db2.gz ZUSLBXBXPLXRGL-YJBOKZPZSA-N 1 1 381.436 3.572 20 5 GHBDMO Cn1c2ccccc2cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1=O ZINC000577528369 902851546 /nfs/dbraw/zinc/85/15/46/902851546.db2.gz UUHGCUOWWMETQE-GOSISDBHSA-N 1 1 377.444 3.826 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](COC(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000577542728 902866915 /nfs/dbraw/zinc/86/69/15/902866915.db2.gz GETDTUIEELDQSM-GFCCVEGCSA-N 1 1 382.363 3.925 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000577601747 902937402 /nfs/dbraw/zinc/93/74/02/902937402.db2.gz ONQFDBYHWJRQNG-BETUJISGSA-N 1 1 387.402 3.711 20 5 GHBDMO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001147103164 903698429 /nfs/dbraw/zinc/69/84/29/903698429.db2.gz JZQIDOUHJWHBJF-KRWDZBQOSA-N 1 1 387.867 3.572 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000579226631 904441412 /nfs/dbraw/zinc/44/14/12/904441412.db2.gz WVVBMSASUBTQJR-JRGCBEDISA-N 1 1 395.459 3.694 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000579226631 904441439 /nfs/dbraw/zinc/44/14/39/904441439.db2.gz WVVBMSASUBTQJR-JRGCBEDISA-N 1 1 395.459 3.694 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001171455679 904719351 /nfs/dbraw/zinc/71/93/51/904719351.db2.gz CJZDLNUCIJIXPJ-ZBFHGGJFSA-N 1 1 375.469 3.690 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCc2ccc(F)cc21 ZINC001171671557 904911606 /nfs/dbraw/zinc/91/16/06/904911606.db2.gz XKUKPYFQPHUEPO-CYBMUJFWSA-N 1 1 382.395 3.946 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904555 905929428 /nfs/dbraw/zinc/92/94/28/905929428.db2.gz OKMWTHDESHKSFM-WDSOQIARSA-N 1 1 387.480 3.536 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001172914506 905987007 /nfs/dbraw/zinc/98/70/07/905987007.db2.gz HCYGGCZPJGDZTO-JOCHJYFZSA-N 1 1 379.504 3.703 20 5 GHBDMO O=C(c1ccccc1)N1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172922508 905993097 /nfs/dbraw/zinc/99/30/97/905993097.db2.gz YHJONGLNEIGLFG-NRFANRHFSA-N 1 1 393.487 3.690 20 5 GHBDMO O=C1c2ccccc2CN1[C@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911359 906018541 /nfs/dbraw/zinc/01/85/41/906018541.db2.gz ATDBDQAMJKUXEQ-CTNGQTDRSA-N 1 1 391.471 3.573 20 5 GHBDMO C[C@@]1(F)CC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H]1F ZINC001173010060 906086544 /nfs/dbraw/zinc/08/65/44/906086544.db2.gz LOGCYACDPDAKEY-DOTOQJQBSA-N 1 1 375.366 3.614 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3Cc4cccc(F)c4C3)CC2)c(F)c1 ZINC001173017656 906095052 /nfs/dbraw/zinc/09/50/52/906095052.db2.gz IBVIEPXTMHIGIM-UHFFFAOYSA-N 1 1 377.366 3.997 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](OCc3ccccc3)C2)c1F ZINC001173190318 906270804 /nfs/dbraw/zinc/27/08/04/906270804.db2.gz SRWPCUIIPIYHJM-RDJZCZTQSA-N 1 1 388.439 3.965 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(Oc3ccccn3)CC2)c1F ZINC001173191053 906274098 /nfs/dbraw/zinc/27/40/98/906274098.db2.gz ZXPWZOHPGBIMPN-CQSZACIVSA-N 1 1 389.427 3.612 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1F ZINC001173191480 906274336 /nfs/dbraw/zinc/27/43/36/906274336.db2.gz FLYFPLGLGUCWIK-GOEBONIOSA-N 1 1 386.423 3.878 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c(OC)c1 ZINC001173195864 906281244 /nfs/dbraw/zinc/28/12/44/906281244.db2.gz JTCOARJNKBSGBO-CYBMUJFWSA-N 1 1 392.427 3.823 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001173220809 906297322 /nfs/dbraw/zinc/29/73/22/906297322.db2.gz CQVAGGIKBITGJB-HZPDHXFCSA-N 1 1 377.485 3.715 20 5 GHBDMO CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173222089 906299906 /nfs/dbraw/zinc/29/99/06/906299906.db2.gz PAKVXILZQSBVQE-INIZCTEOSA-N 1 1 398.507 3.727 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2nn(CC3CC3)cc21 ZINC001173222716 906301592 /nfs/dbraw/zinc/30/15/92/906301592.db2.gz USFDZLUVNUEFLS-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2nn(CC3CC3)cc21 ZINC001173222716 906301608 /nfs/dbraw/zinc/30/16/08/906301608.db2.gz USFDZLUVNUEFLS-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001173227615 906311106 /nfs/dbraw/zinc/31/11/06/906311106.db2.gz RKVPHQQAORWPKZ-DOTOQJQBSA-N 1 1 377.485 3.763 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001173233272 906318285 /nfs/dbraw/zinc/31/82/85/906318285.db2.gz VDMFDSXPARMPBE-BVYCBKJFSA-N 1 1 379.504 3.980 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001173233272 906318296 /nfs/dbraw/zinc/31/82/96/906318296.db2.gz VDMFDSXPARMPBE-BVYCBKJFSA-N 1 1 379.504 3.980 20 5 GHBDMO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233495 906319924 /nfs/dbraw/zinc/31/99/24/906319924.db2.gz WXNZESWZEYLUIO-VQIMIIECSA-N 1 1 380.485 3.596 20 5 GHBDMO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233491 906320542 /nfs/dbraw/zinc/32/05/42/906320542.db2.gz WXNZESWZEYLUIO-QFBILLFUSA-N 1 1 380.485 3.596 20 5 GHBDMO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173214250 906330872 /nfs/dbraw/zinc/33/08/72/906330872.db2.gz AAFNIEWZFMHEIH-QRWLVFNGSA-N 1 1 395.459 3.786 20 5 GHBDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180652542 906811556 /nfs/dbraw/zinc/81/15/56/906811556.db2.gz PCMANYSWEVWMOE-JXFKEZNVSA-N 1 1 396.447 3.534 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000181661683 907049923 /nfs/dbraw/zinc/04/99/23/907049923.db2.gz LZHBLVBCGSKPHI-KGLIPLIRSA-N 1 1 377.510 3.700 20 5 GHBDMO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(Br)c1 ZINC001175559978 907635623 /nfs/dbraw/zinc/63/56/23/907635623.db2.gz IXHYCVBGVWKPSK-OAHLLOKOSA-N 1 1 383.217 3.974 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001175924556 907830928 /nfs/dbraw/zinc/83/09/28/907830928.db2.gz DGSKKDZCVGWBQN-YOEHRIQHSA-N 1 1 387.411 3.523 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001175924556 907830945 /nfs/dbraw/zinc/83/09/45/907830945.db2.gz DGSKKDZCVGWBQN-YOEHRIQHSA-N 1 1 387.411 3.523 20 5 GHBDMO COc1cc2c(cc1OC)C1(CCC1)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001176192740 907967664 /nfs/dbraw/zinc/96/76/64/907967664.db2.gz BTBZKRZDXZDXDA-LJQANCHMSA-N 1 1 398.459 3.583 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001176610091 908184773 /nfs/dbraw/zinc/18/47/73/908184773.db2.gz LXYGHYUKUUVJAI-KSFYIVLOSA-N 1 1 393.443 3.862 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001176610091 908184779 /nfs/dbraw/zinc/18/47/79/908184779.db2.gz LXYGHYUKUUVJAI-KSFYIVLOSA-N 1 1 393.443 3.862 20 5 GHBDMO C[C@]1(Cc2cccs2)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001176664800 908201345 /nfs/dbraw/zinc/20/13/45/908201345.db2.gz OAMMHLIXJMTRPP-HXUWFJFHSA-N 1 1 385.489 3.643 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001176932479 908306902 /nfs/dbraw/zinc/30/69/02/908306902.db2.gz LGZCRNZWMMLDKH-INIZCTEOSA-N 1 1 375.469 3.834 20 5 GHBDMO C[C@H]1[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@H+]1C ZINC001178224304 908963616 /nfs/dbraw/zinc/96/36/16/908963616.db2.gz GPBRITRJGLEDTK-BLLLJJGKSA-N 1 1 389.839 3.863 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@@H](COc4ccccc4)C3)c2)cc1 ZINC000779884481 909059773 /nfs/dbraw/zinc/05/97/73/909059773.db2.gz JMMQITKMLZRFFV-QGZVFWFLSA-N 1 1 378.432 3.817 20 5 GHBDMO CC[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cccc([N+](=O)[O-])c1 ZINC000268701444 909979712 /nfs/dbraw/zinc/97/97/12/909979712.db2.gz ALERMSNTDKVVGC-CQSZACIVSA-N 1 1 379.342 3.897 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000246320033 910230937 /nfs/dbraw/zinc/23/09/37/910230937.db2.gz KLOQSWMWLHBVHF-XJKSGUPXSA-N 1 1 388.493 3.778 20 5 GHBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000271123867 910788744 /nfs/dbraw/zinc/78/87/44/910788744.db2.gz JZZXIZYHLZQJGQ-DLBZAZTESA-N 1 1 393.553 3.556 20 5 GHBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000271201753 910815089 /nfs/dbraw/zinc/81/50/89/910815089.db2.gz WRYSNCBZSWGKTE-YRNVUSSQSA-N 1 1 379.460 3.845 20 5 GHBDMO CSc1ccc([C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)N(C)C)cc1 ZINC001181996377 911117382 /nfs/dbraw/zinc/11/73/82/911117382.db2.gz HYYSQKAVWCGIST-QGZVFWFLSA-N 1 1 386.477 3.850 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000774518615 911887133 /nfs/dbraw/zinc/88/71/33/911887133.db2.gz WEFHXOCYBVCTIK-DOTOQJQBSA-N 1 1 396.447 3.799 20 5 GHBDMO CCc1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001187063597 914995652 /nfs/dbraw/zinc/99/56/52/914995652.db2.gz KMCJXSCBUPCFTO-FQEVSTJZSA-N 1 1 395.507 3.855 20 5 GHBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001187361090 915195488 /nfs/dbraw/zinc/19/54/88/915195488.db2.gz FFUXBCBYOUIDOT-GFCCVEGCSA-N 1 1 375.395 3.556 20 5 GHBDMO COc1ccc([C@H](O)C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000291751427 915349152 /nfs/dbraw/zinc/34/91/52/915349152.db2.gz KNPYTFNMPTZLBS-NRFANRHFSA-N 1 1 397.431 3.690 20 5 GHBDMO CC(C)[N@@H+](CCO)CC1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001187686223 915443349 /nfs/dbraw/zinc/44/33/49/915443349.db2.gz MGOLBWKZXJJXHQ-UHFFFAOYSA-N 1 1 389.418 3.533 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cnc(C)s1 ZINC001188416590 915930574 /nfs/dbraw/zinc/93/05/74/915930574.db2.gz FBCZIYOVZLKDDA-UHFFFAOYSA-N 1 1 378.457 3.708 20 5 GHBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[nH+]c1 ZINC000293270323 916095096 /nfs/dbraw/zinc/09/50/96/916095096.db2.gz QQIUQSPOVQBJIJ-UHFFFAOYSA-N 1 1 382.342 3.549 20 5 GHBDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000294086776 916577000 /nfs/dbraw/zinc/57/70/00/916577000.db2.gz LOBPRAVMDGCJRQ-SFHVURJKSA-N 1 1 385.468 3.675 20 5 GHBDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000294086776 916577006 /nfs/dbraw/zinc/57/70/06/916577006.db2.gz LOBPRAVMDGCJRQ-SFHVURJKSA-N 1 1 385.468 3.675 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294931440 917057549 /nfs/dbraw/zinc/05/75/49/917057549.db2.gz LNNSYNQAXJBSGJ-UHFFFAOYSA-N 1 1 389.496 3.528 20 5 GHBDMO Cc1ccc(N2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H](C)C2)cc1C ZINC001191365579 917966740 /nfs/dbraw/zinc/96/67/40/917966740.db2.gz CDGYCCFPSIWSQG-GOSISDBHSA-N 1 1 396.491 3.751 20 5 GHBDMO Cc1ccc(C2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cn1 ZINC000363674519 918648479 /nfs/dbraw/zinc/64/84/79/918648479.db2.gz RQPKYFHGMWBKSE-UHFFFAOYSA-N 1 1 379.420 3.728 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117338749 919536953 /nfs/dbraw/zinc/53/69/53/919536953.db2.gz NTYSDMOFLAZSNL-KRWDZBQOSA-N 1 1 397.431 3.739 20 5 GHBDMO COc1ccccc1C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000117336011 919537651 /nfs/dbraw/zinc/53/76/51/919537651.db2.gz WAQPRLYIYLBYEB-UHFFFAOYSA-N 1 1 397.431 3.566 20 5 GHBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117342104 919538002 /nfs/dbraw/zinc/53/80/02/919538002.db2.gz WJUFHCNJGQZWJB-WBVHZDCISA-N 1 1 381.432 3.771 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000117342134 919539552 /nfs/dbraw/zinc/53/95/52/919539552.db2.gz OKRICNFHGFJDEM-SFHVURJKSA-N 1 1 399.472 3.683 20 5 GHBDMO O=c1ccccn1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000800544604 920261879 /nfs/dbraw/zinc/26/18/79/920261879.db2.gz AHGAEXGVNHNPEE-SFHVURJKSA-N 1 1 383.835 3.941 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H](C(F)(F)F)C4(CCC4)C3)n2)cc1 ZINC000800864155 920542317 /nfs/dbraw/zinc/54/23/17/920542317.db2.gz OZGFSMHOHZJARG-OAHLLOKOSA-N 1 1 395.385 3.865 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@@H](C(F)(F)F)C4(CCC4)C3)n2)cc1 ZINC000800864155 920542325 /nfs/dbraw/zinc/54/23/25/920542325.db2.gz OZGFSMHOHZJARG-OAHLLOKOSA-N 1 1 395.385 3.865 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000802655220 922312210 /nfs/dbraw/zinc/31/22/10/922312210.db2.gz VUNPIUDYPYHFJI-GOSISDBHSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000802655220 922312216 /nfs/dbraw/zinc/31/22/16/922312216.db2.gz VUNPIUDYPYHFJI-GOSISDBHSA-N 1 1 383.876 3.985 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cn(CCOC)nc32)cc1[N+](=O)[O-] ZINC000369462844 923353822 /nfs/dbraw/zinc/35/38/22/923353822.db2.gz KNNXQHGIBHRTCX-WMLDXEAASA-N 1 1 388.468 3.565 20 5 GHBDMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)o2)cc1C ZINC000369684825 923540986 /nfs/dbraw/zinc/54/09/86/923540986.db2.gz XWJLAHHGXOJROY-OAHLLOKOSA-N 1 1 396.451 3.856 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000409453500 924634321 /nfs/dbraw/zinc/63/43/21/924634321.db2.gz PFOJXFSBBYTVEI-YOEHRIQHSA-N 1 1 379.416 3.906 20 5 GHBDMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373244359 925962326 /nfs/dbraw/zinc/96/23/26/925962326.db2.gz QLCGODAVZWIFHX-JKSUJKDBSA-N 1 1 399.495 3.969 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000411304703 926287126 /nfs/dbraw/zinc/28/71/26/926287126.db2.gz WRHPJFBFYJSULA-WMLDXEAASA-N 1 1 387.436 3.998 20 5 GHBDMO Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000749668804 927229192 /nfs/dbraw/zinc/22/91/92/927229192.db2.gz ACOBLRIPWYZEIZ-NRFANRHFSA-N 1 1 382.460 3.840 20 5 GHBDMO CCOc1ccc(C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C(C)C)cc1 ZINC000749948190 927365588 /nfs/dbraw/zinc/36/55/88/927365588.db2.gz VEVAKNKLJCXNFW-UHFFFAOYSA-N 1 1 383.452 3.915 20 5 GHBDMO CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000750050959 927406860 /nfs/dbraw/zinc/40/68/60/927406860.db2.gz FUWQEISICVBJNQ-WTNAPCKOSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000750050959 927406867 /nfs/dbraw/zinc/40/68/67/927406867.db2.gz FUWQEISICVBJNQ-WTNAPCKOSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000750050959 927406874 /nfs/dbraw/zinc/40/68/74/927406874.db2.gz FUWQEISICVBJNQ-WTNAPCKOSA-N 1 1 383.492 3.786 20 5 GHBDMO C/C(=C/C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751983012 928529496 /nfs/dbraw/zinc/52/94/96/928529496.db2.gz DIGHTMGOLBXTOY-PUWPPSGDSA-N 1 1 393.487 3.679 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000752082525 928598985 /nfs/dbraw/zinc/59/89/85/928598985.db2.gz CGWYJVREDSYZAZ-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000752082525 928598992 /nfs/dbraw/zinc/59/89/92/928598992.db2.gz CGWYJVREDSYZAZ-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544097467 928803960 /nfs/dbraw/zinc/80/39/60/928803960.db2.gz XGDBWQZLWMSBDH-AEFFLSMTSA-N 1 1 399.516 3.714 20 5 GHBDMO COc1ccc([C@H]2CCC[N@@H+]2CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000752784947 929021382 /nfs/dbraw/zinc/02/13/82/929021382.db2.gz CBQOXYYSRPNAMH-GOSISDBHSA-N 1 1 396.447 3.640 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000752784947 929021389 /nfs/dbraw/zinc/02/13/89/929021389.db2.gz CBQOXYYSRPNAMH-GOSISDBHSA-N 1 1 396.447 3.640 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757111318 929651182 /nfs/dbraw/zinc/65/11/82/929651182.db2.gz VOMBLYQYTMGZGZ-HOTGVXAUSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1cc(C[N@@H+](C)CC2(O)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000546256163 929997089 /nfs/dbraw/zinc/99/70/89/929997089.db2.gz LYJNFZFOCFPNFP-UHFFFAOYSA-N 1 1 386.448 3.529 20 5 GHBDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000470000124 930306906 /nfs/dbraw/zinc/30/69/06/930306906.db2.gz PIBUNDVDZKBKIY-CQSZACIVSA-N 1 1 387.358 3.556 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000470134061 930396907 /nfs/dbraw/zinc/39/69/07/930396907.db2.gz CDTNMWBBZRNYEI-MRXNPFEDSA-N 1 1 380.807 3.812 20 5 GHBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000470705881 930840985 /nfs/dbraw/zinc/84/09/85/930840985.db2.gz BNXCKQYPQWBBEN-ZIAGYGMSSA-N 1 1 387.411 3.595 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000471006128 931090587 /nfs/dbraw/zinc/09/05/87/931090587.db2.gz MOAONYRSFNIUJP-INIZCTEOSA-N 1 1 383.448 3.648 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000471006128 931090596 /nfs/dbraw/zinc/09/05/96/931090596.db2.gz MOAONYRSFNIUJP-INIZCTEOSA-N 1 1 383.448 3.648 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCc1ccc(Cl)cc1 ZINC000782491093 931241654 /nfs/dbraw/zinc/24/16/54/931241654.db2.gz HHURPAHUHOSQAO-UHFFFAOYSA-N 1 1 379.819 3.890 20 5 GHBDMO Cc1c(CC(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cccc1[N+](=O)[O-] ZINC000557456470 931441760 /nfs/dbraw/zinc/44/17/60/931441760.db2.gz FNACAIMVFHKYLX-IBGZPJMESA-N 1 1 393.443 3.686 20 5 GHBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1ccc([N+](=O)[O-])s1 ZINC000557483508 931464722 /nfs/dbraw/zinc/46/47/22/931464722.db2.gz OWWJRXBRDVSJKS-UHFFFAOYSA-N 1 1 380.429 3.866 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000784006135 931751783 /nfs/dbraw/zinc/75/17/83/931751783.db2.gz CIJFCCLVRKFSMF-BEFAXECRSA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000784006135 931751790 /nfs/dbraw/zinc/75/17/90/931751790.db2.gz CIJFCCLVRKFSMF-BEFAXECRSA-N 1 1 393.447 3.903 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000784504965 931915923 /nfs/dbraw/zinc/91/59/23/931915923.db2.gz KXZDYCSFIBFISN-CGTJXYLNSA-N 1 1 375.469 3.720 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000558573499 932080063 /nfs/dbraw/zinc/08/00/63/932080063.db2.gz RFKZTVKNBTZJIY-KRWDZBQOSA-N 1 1 383.448 3.639 20 5 GHBDMO Cc1c(CC(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000797030487 932152711 /nfs/dbraw/zinc/15/27/11/932152711.db2.gz CXTBBSPMXJZWFH-LJQANCHMSA-N 1 1 382.460 3.901 20 5 GHBDMO COc1cc(CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000798497857 932672575 /nfs/dbraw/zinc/67/25/75/932672575.db2.gz GIJICKGHXFCQEW-QFIPXVFZSA-N 1 1 399.491 3.614 20 5 GHBDMO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000559552835 932730769 /nfs/dbraw/zinc/73/07/69/932730769.db2.gz HHBNPQBMOKEVRI-LJQANCHMSA-N 1 1 395.503 3.553 20 5 GHBDMO C[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000799179842 932901654 /nfs/dbraw/zinc/90/16/54/932901654.db2.gz WOMBCUQOBVPYJW-FQEVSTJZSA-N 1 1 386.427 3.768 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000799358663 932966661 /nfs/dbraw/zinc/96/66/61/932966661.db2.gz NUJCSWFVVGCUNC-OAHLLOKOSA-N 1 1 393.484 3.730 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000799363083 932971660 /nfs/dbraw/zinc/97/16/60/932971660.db2.gz XXVXDTOJEISBGP-MRXNPFEDSA-N 1 1 393.484 3.600 20 5 GHBDMO CC(C)n1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000560358513 933220340 /nfs/dbraw/zinc/22/03/40/933220340.db2.gz UCYMBSGGMFNVHM-UHFFFAOYSA-N 1 1 386.500 3.745 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001116734796 933727032 /nfs/dbraw/zinc/72/70/32/933727032.db2.gz ZSXGZTMGPJWOOQ-QFBILLFUSA-N 1 1 386.427 3.918 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001116734796 933727037 /nfs/dbraw/zinc/72/70/37/933727037.db2.gz ZSXGZTMGPJWOOQ-QFBILLFUSA-N 1 1 386.427 3.918 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777889243 933982898 /nfs/dbraw/zinc/98/28/98/933982898.db2.gz VCZAFUTVQXVVLX-INIZCTEOSA-N 1 1 393.390 3.623 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000561774236 934442086 /nfs/dbraw/zinc/44/20/86/934442086.db2.gz WIPWPZDDIUIEIK-LJQANCHMSA-N 1 1 377.510 3.655 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)c1 ZINC000932250739 934860127 /nfs/dbraw/zinc/86/01/27/934860127.db2.gz DTGGXLODPUORNJ-IAGOWNOFSA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2c2cncc(Br)c2)c1 ZINC000932250739 934860132 /nfs/dbraw/zinc/86/01/32/934860132.db2.gz DTGGXLODPUORNJ-IAGOWNOFSA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)c2ccccc2F)ccc1Br ZINC000830356293 935934706 /nfs/dbraw/zinc/93/47/06/935934706.db2.gz YNYMMMUPOTYSCX-HNNXBMFYSA-N 1 1 383.217 3.710 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001226752812 1032113694 /nfs/dbraw/zinc/11/36/94/1032113694.db2.gz AANFACLPEVEUSQ-GOSISDBHSA-N 1 1 376.501 3.784 20 5 GHBDMO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470652496 1016846522 /nfs/dbraw/zinc/84/65/22/1016846522.db2.gz CFDBADCSWGWAON-LJQANCHMSA-N 1 1 399.516 3.810 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470824725 1016901476 /nfs/dbraw/zinc/90/14/76/1016901476.db2.gz HVUJWDSGDPKETB-VYDXJSESSA-N 1 1 392.500 3.965 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000470954097 1016928752 /nfs/dbraw/zinc/92/87/52/1016928752.db2.gz WBYYDJORCSABGU-WPRPVWTQSA-N 1 1 384.301 3.978 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000470954097 1016928755 /nfs/dbraw/zinc/92/87/55/1016928755.db2.gz WBYYDJORCSABGU-WPRPVWTQSA-N 1 1 384.301 3.978 20 5 GHBDMO Cc1[nH+]cn(CCCCc2noc(CCc3cc(F)ccc3[N+](=O)[O-])n2)c1C ZINC000924112774 1016962154 /nfs/dbraw/zinc/96/21/54/1016962154.db2.gz DUBNBURVYXOWIY-UHFFFAOYSA-N 1 1 387.415 3.738 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C(C)=O)c3)C2)cc(OC)c1 ZINC000557607520 1017020336 /nfs/dbraw/zinc/02/03/36/1017020336.db2.gz XDUUQQNMQRQGLH-KRWDZBQOSA-N 1 1 399.447 3.501 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C(C)=O)c3)C2)cc(OC)c1 ZINC000557607520 1017020350 /nfs/dbraw/zinc/02/03/50/1017020350.db2.gz XDUUQQNMQRQGLH-KRWDZBQOSA-N 1 1 399.447 3.501 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC001227043577 1032249053 /nfs/dbraw/zinc/24/90/53/1032249053.db2.gz GHOHDJXWMSFLGL-OAHLLOKOSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC001227043577 1032249059 /nfs/dbraw/zinc/24/90/59/1032249059.db2.gz GHOHDJXWMSFLGL-OAHLLOKOSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001227124980 1032279785 /nfs/dbraw/zinc/27/97/85/1032279785.db2.gz UZNWZCCIEDSBNI-YRWFTTLQSA-N 1 1 396.443 3.671 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001227124912 1032280076 /nfs/dbraw/zinc/28/00/76/1032280076.db2.gz SIMYMISBZPQIIS-KXBFYZLASA-N 1 1 384.432 3.671 20 5 GHBDMO Cc1ccc(N2CCC[C@@H](Oc3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C2)[nH+]c1 ZINC001227221193 1032328549 /nfs/dbraw/zinc/32/85/49/1032328549.db2.gz PSGFDRRNWRLELS-OAHLLOKOSA-N 1 1 380.404 3.600 20 5 GHBDMO Cc1ccc(N2CCC[C@H](Oc3ccc(Br)nc3[N+](=O)[O-])C2)[nH+]c1 ZINC001227259585 1032346154 /nfs/dbraw/zinc/34/61/54/1032346154.db2.gz JNLMZEJRWGCUDY-LBPRGKRZSA-N 1 1 393.241 3.504 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1[N+](=O)[O-] ZINC001227339046 1032380157 /nfs/dbraw/zinc/38/01/57/1032380157.db2.gz XOXFWECNWKIZPU-OWCLPIDISA-N 1 1 388.855 3.636 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001227468122 1032432142 /nfs/dbraw/zinc/43/21/42/1032432142.db2.gz XELOSSZIYMPVDZ-HNNXBMFYSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001227468122 1032432148 /nfs/dbraw/zinc/43/21/48/1032432148.db2.gz XELOSSZIYMPVDZ-HNNXBMFYSA-N 1 1 377.784 3.810 20 5 GHBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001227544205 1032458787 /nfs/dbraw/zinc/45/87/87/1032458787.db2.gz JQYZYRABHIROAC-DZGCQCFKSA-N 1 1 390.461 3.732 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC[NH2+]2)cc1 ZINC001155728217 1032666941 /nfs/dbraw/zinc/66/69/41/1032666941.db2.gz ZTLSFWCZAQZIOB-LJQANCHMSA-N 1 1 381.476 3.869 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2Cc3ccccc3OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000558174455 1017133102 /nfs/dbraw/zinc/13/31/02/1017133102.db2.gz VJXWNDSKRZEJRJ-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000558739903 1017276991 /nfs/dbraw/zinc/27/69/91/1017276991.db2.gz XJEHPYPMGCFLRU-UHFFFAOYSA-N 1 1 393.443 3.896 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000558739903 1017276997 /nfs/dbraw/zinc/27/69/97/1017276997.db2.gz XJEHPYPMGCFLRU-UHFFFAOYSA-N 1 1 393.443 3.896 20 5 GHBDMO O=C(NCc1[nH+]cn2ccccc12)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155999427 1032832802 /nfs/dbraw/zinc/83/28/02/1032832802.db2.gz WZCDOFWDJMEXKZ-UHFFFAOYSA-N 1 1 385.452 3.975 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000796148078 1021110630 /nfs/dbraw/zinc/11/06/30/1021110630.db2.gz YYYFONMHWJTQBB-NSHDSACASA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000796148078 1021110634 /nfs/dbraw/zinc/11/06/34/1021110634.db2.gz YYYFONMHWJTQBB-NSHDSACASA-N 1 1 393.793 3.529 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1F ZINC000801526668 1021405585 /nfs/dbraw/zinc/40/55/85/1021405585.db2.gz VFYGDDPYYKQNME-ZDUSSCGKSA-N 1 1 385.317 3.801 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1F ZINC000801526668 1021405598 /nfs/dbraw/zinc/40/55/98/1021405598.db2.gz VFYGDDPYYKQNME-ZDUSSCGKSA-N 1 1 385.317 3.801 20 5 GHBDMO O=[N+]([O-])c1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2[nH]ccc21 ZINC001156317792 1032980751 /nfs/dbraw/zinc/98/07/51/1032980751.db2.gz NNBMQFATZHHRFR-CGTJXYLNSA-N 1 1 377.448 3.794 20 5 GHBDMO O=c1[nH]c(C2CC2)nc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001228603505 1033001554 /nfs/dbraw/zinc/00/15/54/1033001554.db2.gz LKZIFQJGYLGCEY-BJWYYQGGSA-N 1 1 396.447 3.542 20 5 GHBDMO O=c1[nH]c(C2CC2)nc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001228603505 1033001579 /nfs/dbraw/zinc/00/15/79/1033001579.db2.gz LKZIFQJGYLGCEY-BJWYYQGGSA-N 1 1 396.447 3.542 20 5 GHBDMO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1C(F)(F)F ZINC001204650118 1033012879 /nfs/dbraw/zinc/01/28/79/1033012879.db2.gz BDSPYDGDLRKBKY-UHFFFAOYSA-N 1 1 380.370 3.639 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000754096282 1022477736 /nfs/dbraw/zinc/47/77/36/1022477736.db2.gz DCXNDQBLWKCRIM-SZGZABIGSA-N 1 1 385.489 3.623 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000754096282 1022477739 /nfs/dbraw/zinc/47/77/39/1022477739.db2.gz DCXNDQBLWKCRIM-SZGZABIGSA-N 1 1 385.489 3.623 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1Cl ZINC000836353563 1022911575 /nfs/dbraw/zinc/91/15/75/1022911575.db2.gz XMSFEELAYGHMIC-LBPRGKRZSA-N 1 1 393.896 3.795 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1Cl ZINC000836353563 1022911580 /nfs/dbraw/zinc/91/15/80/1022911580.db2.gz XMSFEELAYGHMIC-LBPRGKRZSA-N 1 1 393.896 3.795 20 5 GHBDMO C/C(=C\c1ccccc1)C[N@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000754856142 1022935609 /nfs/dbraw/zinc/93/56/09/1022935609.db2.gz HRRJBABPFOMHIO-SAPNQHFASA-N 1 1 380.448 3.830 20 5 GHBDMO C/C(=C\c1ccccc1)C[N@@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000754856142 1022935617 /nfs/dbraw/zinc/93/56/17/1022935617.db2.gz HRRJBABPFOMHIO-SAPNQHFASA-N 1 1 380.448 3.830 20 5 GHBDMO COC(=O)c1cc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc([N+](=O)[O-])c1 ZINC001228772799 1033088735 /nfs/dbraw/zinc/08/87/35/1033088735.db2.gz ZEMGBDNTPTUPBY-ZLGUVYLKSA-N 1 1 396.443 3.671 20 5 GHBDMO CCOc1cc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000755001233 1023011383 /nfs/dbraw/zinc/01/13/83/1023011383.db2.gz KMDUEAPSNYKUIG-UHFFFAOYSA-N 1 1 393.484 3.825 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000756994136 1023902054 /nfs/dbraw/zinc/90/20/54/1023902054.db2.gz QIXINBPMSSEQGY-INIZCTEOSA-N 1 1 387.867 3.777 20 5 GHBDMO CN(C)c1cc(F)c(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000831000860 1024296021 /nfs/dbraw/zinc/29/60/21/1024296021.db2.gz IQMMSOQCBJCRAU-UHFFFAOYSA-N 1 1 394.834 3.767 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000831384456 1024532216 /nfs/dbraw/zinc/53/22/16/1024532216.db2.gz FIQYLLFTFJBDPE-DLBZAZTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000831384456 1024532238 /nfs/dbraw/zinc/53/22/38/1024532238.db2.gz FIQYLLFTFJBDPE-DLBZAZTESA-N 1 1 377.803 3.563 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)c1 ZINC000831594551 1024670377 /nfs/dbraw/zinc/67/03/77/1024670377.db2.gz VTSHKEUBURJETL-CRAIPNDOSA-N 1 1 391.265 3.880 20 5 GHBDMO COc1ccc(F)cc1CN1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC001205094607 1033247137 /nfs/dbraw/zinc/24/71/37/1033247137.db2.gz XAIFPERMQIYTEE-ATVHPVEESA-N 1 1 399.466 3.964 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001229060039 1033256577 /nfs/dbraw/zinc/25/65/77/1033256577.db2.gz ZJEKRGUQXWFHSG-LKUPVBHCSA-N 1 1 396.443 3.671 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839136963 1025631764 /nfs/dbraw/zinc/63/17/64/1025631764.db2.gz VLRQDZHXZYVHKB-RDJZCZTQSA-N 1 1 393.484 3.580 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001162267830 1025697442 /nfs/dbraw/zinc/69/74/42/1025697442.db2.gz WOLVFKXIYSUNIE-NVXWUHKLSA-N 1 1 383.448 3.937 20 5 GHBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839196169 1025716818 /nfs/dbraw/zinc/71/68/18/1025716818.db2.gz SRFDQTCUJBQFCD-CYBMUJFWSA-N 1 1 377.391 3.765 20 5 GHBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)c1ccccc1Br ZINC000832679352 1025828627 /nfs/dbraw/zinc/82/86/27/1025828627.db2.gz DRJJYVUWGNNROZ-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCc1ccccc1)C1CC1 ZINC000839474437 1025965319 /nfs/dbraw/zinc/96/53/19/1025965319.db2.gz RNJXZSZLNKXAPD-UHFFFAOYSA-N 1 1 383.448 3.639 20 5 GHBDMO CC[C@@](C)([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000839522162 1026004310 /nfs/dbraw/zinc/00/43/10/1026004310.db2.gz UJGQKVXZAMDVAR-MRXNPFEDSA-N 1 1 382.873 3.867 20 5 GHBDMO CS(=O)(=O)N1C[C@H]2CCC[N@@H+](Cc3c4ccccc4cc4ccccc43)[C@H]2C1 ZINC001141724459 1026348442 /nfs/dbraw/zinc/34/84/42/1026348442.db2.gz GKGLZSUCONXSON-XXBNENTESA-N 1 1 394.540 3.849 20 5 GHBDMO CCOc1cnc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001164484670 1026524784 /nfs/dbraw/zinc/52/47/84/1026524784.db2.gz GLMVWZBSLZBYPL-YTQUADARSA-N 1 1 382.464 3.711 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164498279 1026534263 /nfs/dbraw/zinc/53/42/63/1026534263.db2.gz DXJRUSMPWIHZJG-GBESFXJTSA-N 1 1 395.459 3.704 20 5 GHBDMO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164499927 1026536799 /nfs/dbraw/zinc/53/67/99/1026536799.db2.gz VZNNWLMPDACLJX-GVDBMIGSSA-N 1 1 377.448 3.794 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC([N@H+]4CCc5ccccc5C4)CC3)c21 ZINC001165153992 1026637211 /nfs/dbraw/zinc/63/72/11/1026637211.db2.gz INZANZAGMILIFF-UHFFFAOYSA-N 1 1 389.459 3.565 20 5 GHBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC001166875017 1027126021 /nfs/dbraw/zinc/12/60/21/1027126021.db2.gz KUJSZGMDCSCECS-INIZCTEOSA-N 1 1 382.464 3.800 20 5 GHBDMO C[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC001461325532 1069501121 /nfs/dbraw/zinc/50/11/21/1069501121.db2.gz WLWSFFRNTYIQBO-WMLDXEAASA-N 1 1 391.418 3.949 20 5 GHBDMO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CN1Cc1ccccc1 ZINC001461325532 1069501129 /nfs/dbraw/zinc/50/11/29/1069501129.db2.gz WLWSFFRNTYIQBO-WMLDXEAASA-N 1 1 391.418 3.949 20 5 GHBDMO COc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000842366233 1029219225 /nfs/dbraw/zinc/21/92/25/1029219225.db2.gz FRLOTTBQMDLCDP-YSIASYRMSA-N 1 1 396.443 3.525 20 5 GHBDMO COc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000842366233 1029219236 /nfs/dbraw/zinc/21/92/36/1029219236.db2.gz FRLOTTBQMDLCDP-YSIASYRMSA-N 1 1 396.443 3.525 20 5 GHBDMO [NH3+]Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)n1 ZINC000842651193 1029457699 /nfs/dbraw/zinc/45/76/99/1029457699.db2.gz VDSHYLYFLHNSBY-UHFFFAOYSA-N 1 1 393.447 3.563 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001150144141 1030427054 /nfs/dbraw/zinc/42/70/54/1030427054.db2.gz YKRPSQRMQXSZFX-DNVCBOLYSA-N 1 1 393.443 3.981 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001150144142 1030427255 /nfs/dbraw/zinc/42/72/55/1030427255.db2.gz YKRPSQRMQXSZFX-HNAYVOBHSA-N 1 1 393.443 3.981 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](n3cccn3)C(F)(F)F)o2)c1 ZINC001461661181 1069664454 /nfs/dbraw/zinc/66/44/54/1069664454.db2.gz OQPYCSOVYNTYCU-MRXNPFEDSA-N 1 1 380.326 3.945 20 5 GHBDMO COC(=O)c1ccc(CO[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001223413329 1030565371 /nfs/dbraw/zinc/56/53/71/1030565371.db2.gz KWGNRRRRAVTFJF-IBGZPJMESA-N 1 1 384.432 3.563 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001223450555 1030578395 /nfs/dbraw/zinc/57/83/95/1030578395.db2.gz RHGIAKQTIRIRCL-IERDGZPVSA-N 1 1 398.459 3.809 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4C[NH2+]CCC[C@@H]4F)ccc3c21 ZINC001217973884 1030698705 /nfs/dbraw/zinc/69/87/05/1030698705.db2.gz CSXVGFYZHLPBRB-MAUKXSAKSA-N 1 1 383.375 3.867 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4CC[NH2+]CC[C@H]4F)ccc3c21 ZINC001218014158 1030722961 /nfs/dbraw/zinc/72/29/61/1030722961.db2.gz FTVBKMHJARSUAI-HZPDHXFCSA-N 1 1 383.375 3.867 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@H]2C[NH2+][C@H](C)C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218040195 1030736550 /nfs/dbraw/zinc/73/65/50/1030736550.db2.gz WFPBCFYCVVNEAS-ZIAGYGMSSA-N 1 1 395.455 3.995 20 5 GHBDMO O=[N+]([O-])c1ccc(CO[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001224096715 1030882692 /nfs/dbraw/zinc/88/26/92/1030882692.db2.gz NZPYOJLWTSLYQJ-KRWDZBQOSA-N 1 1 389.383 3.823 20 5 GHBDMO O=[N+]([O-])c1ccc(CO[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001224098709 1030883698 /nfs/dbraw/zinc/88/36/98/1030883698.db2.gz AVSHXHWKRWHFMF-LDQXTDLNSA-N 1 1 397.431 3.930 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224102127 1030884335 /nfs/dbraw/zinc/88/43/35/1030884335.db2.gz WPFCUKPEUOLQMW-PBHICJAKSA-N 1 1 386.408 3.640 20 5 GHBDMO CC(C)=CCc1c(O)cc(O[C@@H]2C=CC[NH2+]C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218338254 1030901494 /nfs/dbraw/zinc/90/14/94/1030901494.db2.gz UVVSHEYHTGZVQF-CQSZACIVSA-N 1 1 393.439 3.773 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1c[nH]c2cnccc21 ZINC001153009587 1031428450 /nfs/dbraw/zinc/42/84/50/1031428450.db2.gz IGNJQOQIGBVFQO-UHFFFAOYSA-N 1 1 397.438 3.820 20 5 GHBDMO Cc1cc[nH+]c(N2CCC(Oc3ncc([N+](=O)[O-])cc3Br)CC2)c1 ZINC001226340836 1031921517 /nfs/dbraw/zinc/92/15/17/1031921517.db2.gz BEKCFTJTKUCJQM-UHFFFAOYSA-N 1 1 393.241 3.504 20 5 GHBDMO C[C@@H](Oc1cc([N+](=O)[O-])cc2cccnc21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229342500 1033426528 /nfs/dbraw/zinc/42/65/28/1033426528.db2.gz AFADQQVXEOVPBD-IIBYNOLFSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@@H](Oc1cc([N+](=O)[O-])cc2cccnc21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229342500 1033426535 /nfs/dbraw/zinc/42/65/35/1033426535.db2.gz AFADQQVXEOVPBD-IIBYNOLFSA-N 1 1 393.443 3.811 20 5 GHBDMO O=[N+]([O-])c1cc2cccnc2c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC001229344190 1033427744 /nfs/dbraw/zinc/42/77/44/1033427744.db2.gz RYQSVSTYLDSTSI-HXUWFJFHSA-N 1 1 393.443 3.813 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cc(Br)cnc1[N+](=O)[O-] ZINC001229564339 1033560485 /nfs/dbraw/zinc/56/04/85/1033560485.db2.gz WRFDWECHKXIICF-LRDDRELGSA-N 1 1 392.253 3.652 20 5 GHBDMO CC[C@H](COc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21)OC ZINC001229806935 1033731367 /nfs/dbraw/zinc/73/13/67/1033731367.db2.gz CQNLXOSQQDSCPT-MRXNPFEDSA-N 1 1 381.476 3.692 20 5 GHBDMO CCOC[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2cn(C)nc21 ZINC001232220454 1035169030 /nfs/dbraw/zinc/16/90/30/1035169030.db2.gz PAMNWCKIAIZRRZ-IBGZPJMESA-N 1 1 387.487 3.652 20 5 GHBDMO CCOC[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)Cc2cn(C)nc21 ZINC001232220454 1035169035 /nfs/dbraw/zinc/16/90/35/1035169035.db2.gz PAMNWCKIAIZRRZ-IBGZPJMESA-N 1 1 387.487 3.652 20 5 GHBDMO O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@@H]2C1 ZINC001232222049 1035170245 /nfs/dbraw/zinc/17/02/45/1035170245.db2.gz GMCYLPRLCCGFGI-KDURUIRLSA-N 1 1 398.466 3.580 20 5 GHBDMO Cc1cc(O[C@@H]2CCC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)ncn1 ZINC001232227031 1035172199 /nfs/dbraw/zinc/17/21/99/1035172199.db2.gz DYCIRQUQWQYUGV-HXUWFJFHSA-N 1 1 385.471 3.925 20 5 GHBDMO COc1cc2ncnc(NC[C@@H]3CCC[N@H+]3Cc3ccccc3)c2cc1[N+](=O)[O-] ZINC001161885645 1035321772 /nfs/dbraw/zinc/32/17/72/1035321772.db2.gz WGUQWIAPLVPKKT-INIZCTEOSA-N 1 1 393.447 3.623 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001461971337 1069922895 /nfs/dbraw/zinc/92/28/95/1069922895.db2.gz SJEMBBOFQZFESZ-INIZCTEOSA-N 1 1 377.485 3.948 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(Cl)c(F)cc2F)no1 ZINC001248210890 1035642635 /nfs/dbraw/zinc/64/26/35/1035642635.db2.gz WFOMATQYDPWLDC-AWEZNQCLSA-N 1 1 380.738 3.819 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)c1F ZINC001246620330 1037512830 /nfs/dbraw/zinc/51/28/30/1037512830.db2.gz AAOGLUWWGZMVHY-KEYYUXOJSA-N 1 1 385.439 3.815 20 5 GHBDMO O=[N+]([O-])c1cccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001233577941 1039455254 /nfs/dbraw/zinc/45/52/54/1039455254.db2.gz LYDWTDCOLYTIEX-LZLYRXPVSA-N 1 1 383.404 3.792 20 5 GHBDMO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233746555 1039585975 /nfs/dbraw/zinc/58/59/75/1039585975.db2.gz CCNCDBSIMRKALL-VXGBXAGGSA-N 1 1 382.342 3.618 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233746555 1039585987 /nfs/dbraw/zinc/58/59/87/1039585987.db2.gz CCNCDBSIMRKALL-VXGBXAGGSA-N 1 1 382.342 3.618 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001233988060 1039745477 /nfs/dbraw/zinc/74/54/77/1039745477.db2.gz UAMJDYRHUYWEEE-NPHXMPSESA-N 1 1 396.487 3.804 20 5 GHBDMO CC(=O)c1ccc2c(c1)C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC001254480678 1040267967 /nfs/dbraw/zinc/26/79/67/1040267967.db2.gz KRZAVTCVFMUYLL-UHFFFAOYSA-N 1 1 379.460 3.825 20 5 GHBDMO COC(=O)[C@@](C)([NH3+])Cc1cn([C@@H](C)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC001254540368 1040310097 /nfs/dbraw/zinc/31/00/97/1040310097.db2.gz SLMGDJHFNCFGRL-NYHFZMIOSA-N 1 1 395.459 3.786 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001254552508 1040321267 /nfs/dbraw/zinc/32/12/67/1040321267.db2.gz MTIMAZNELUUNTN-WDYCEAGBSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001254552596 1040321376 /nfs/dbraw/zinc/32/13/76/1040321376.db2.gz NFVLTZJISSSEGX-GPMSIDNRSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001254558652 1040328960 /nfs/dbraw/zinc/32/89/60/1040328960.db2.gz UYPSYYNWFMTGIX-OPAMFIHVSA-N 1 1 397.450 3.794 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001254558609 1040329184 /nfs/dbraw/zinc/32/91/84/1040329184.db2.gz UOLFFVCBDWTSFQ-HNNXBMFYSA-N 1 1 378.432 3.677 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001254559880 1040331672 /nfs/dbraw/zinc/33/16/72/1040331672.db2.gz ZVZPVMHJTHQPHQ-OAHLLOKOSA-N 1 1 394.431 3.546 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001254559880 1040331691 /nfs/dbraw/zinc/33/16/91/1040331691.db2.gz ZVZPVMHJTHQPHQ-OAHLLOKOSA-N 1 1 394.431 3.546 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001254559929 1040332152 /nfs/dbraw/zinc/33/21/52/1040332152.db2.gz CSFJDFMLNGPCIO-FBEWHJACSA-N 1 1 388.508 3.964 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001254559929 1040332167 /nfs/dbraw/zinc/33/21/67/1040332167.db2.gz CSFJDFMLNGPCIO-FBEWHJACSA-N 1 1 388.508 3.964 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001254562975 1040335462 /nfs/dbraw/zinc/33/54/62/1040335462.db2.gz VHNWXPBPQYAAGA-WMZHIEFXSA-N 1 1 395.503 3.897 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001254562975 1040335482 /nfs/dbraw/zinc/33/54/82/1040335482.db2.gz VHNWXPBPQYAAGA-WMZHIEFXSA-N 1 1 395.503 3.897 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ncc(Br)cc2C1 ZINC001254563617 1040338179 /nfs/dbraw/zinc/33/81/79/1040338179.db2.gz ZLUDTDSJQSNQQG-LBPRGKRZSA-N 1 1 376.254 3.742 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(c3ccc(C(F)(F)F)cc3)COC1)C2 ZINC001254574913 1040351237 /nfs/dbraw/zinc/35/12/37/1040351237.db2.gz LZVPLIALKGLGLM-MRXNPFEDSA-N 1 1 378.350 3.596 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001254593368 1040365574 /nfs/dbraw/zinc/36/55/74/1040365574.db2.gz LPRGRMJEYRWMGA-PTUXOGIPSA-N 1 1 377.488 3.658 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001254593368 1040365582 /nfs/dbraw/zinc/36/55/82/1040365582.db2.gz LPRGRMJEYRWMGA-PTUXOGIPSA-N 1 1 377.488 3.658 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001254593368 1040365594 /nfs/dbraw/zinc/36/55/94/1040365594.db2.gz LPRGRMJEYRWMGA-PTUXOGIPSA-N 1 1 377.488 3.658 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCN3Cc3cccc(F)c3)C1)C2 ZINC001254595778 1040369633 /nfs/dbraw/zinc/36/96/33/1040369633.db2.gz MLNOSZASFRVPRN-GOTSBHOMSA-N 1 1 395.478 3.942 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3CCC[C@@]3(COc3ccccn3)C1)C2 ZINC001254597585 1040369886 /nfs/dbraw/zinc/36/98/86/1040369886.db2.gz SZRLZDZMFGAVLC-CBQOVEMMSA-N 1 1 379.460 3.638 20 5 GHBDMO C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600602 1040371315 /nfs/dbraw/zinc/37/13/15/1040371315.db2.gz SPIJLAXAKLFBSP-SIXWZSSISA-N 1 1 389.496 3.687 20 5 GHBDMO COc1cc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c([N+](=O)[O-])cc1F ZINC001255477753 1041077879 /nfs/dbraw/zinc/07/78/79/1041077879.db2.gz GZNJWLMUGCRXNX-AWEZNQCLSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1cccc([N+](=O)[O-])c1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255488374 1041085512 /nfs/dbraw/zinc/08/55/12/1041085512.db2.gz XIFVJDPRSHHEHT-HNNXBMFYSA-N 1 1 380.404 3.643 20 5 GHBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106050 1043082044 /nfs/dbraw/zinc/08/20/44/1043082044.db2.gz RBBUPHWQYSAUEY-CVEARBPZSA-N 1 1 398.511 3.572 20 5 GHBDMO CC[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC001296188468 1045275483 /nfs/dbraw/zinc/27/54/83/1045275483.db2.gz JYFXERBSDFRFQT-GOSISDBHSA-N 1 1 399.516 3.810 20 5 GHBDMO CC[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001296188468 1045275491 /nfs/dbraw/zinc/27/54/91/1045275491.db2.gz JYFXERBSDFRFQT-GOSISDBHSA-N 1 1 399.516 3.810 20 5 GHBDMO CC[C@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001296188336 1045275742 /nfs/dbraw/zinc/27/57/42/1045275742.db2.gz HFBCRWYKCQGGDU-PXNSSMCTSA-N 1 1 381.476 3.821 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001296876441 1045391792 /nfs/dbraw/zinc/39/17/92/1045391792.db2.gz OHUGXDFEZNZDFA-OAQYLSRUSA-N 1 1 381.476 3.650 20 5 GHBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001298744200 1045936841 /nfs/dbraw/zinc/93/68/41/1045936841.db2.gz GDSIEIFHHMCZSL-LLVKDONJSA-N 1 1 386.290 3.516 20 5 GHBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001301033203 1046297520 /nfs/dbraw/zinc/29/75/20/1046297520.db2.gz IRXMLFKJWQBXMQ-UKRRQHHQSA-N 1 1 395.887 3.539 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cc1Cl ZINC001301754488 1046683953 /nfs/dbraw/zinc/68/39/53/1046683953.db2.gz ZHRLMWLIZBNRDR-HOTGVXAUSA-N 1 1 385.851 3.656 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)cc1Cl ZINC001301754488 1046683956 /nfs/dbraw/zinc/68/39/56/1046683956.db2.gz ZHRLMWLIZBNRDR-HOTGVXAUSA-N 1 1 385.851 3.656 20 5 GHBDMO CC[C@@H](NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000589625560 1047186262 /nfs/dbraw/zinc/18/62/62/1047186262.db2.gz FGXQWDSZZOXGSP-LJQANCHMSA-N 1 1 397.479 3.849 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC001265497553 1047619437 /nfs/dbraw/zinc/61/94/37/1047619437.db2.gz LQVDUEKSTFSEIO-SFHVURJKSA-N 1 1 383.448 3.513 20 5 GHBDMO Cc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC001279365360 1047781529 /nfs/dbraw/zinc/78/15/29/1047781529.db2.gz TVBIJRKHRDMAOA-FQEVSTJZSA-N 1 1 381.476 3.886 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001306985217 1048992892 /nfs/dbraw/zinc/99/28/92/1048992892.db2.gz OLPSJUBYONNSBF-QGZVFWFLSA-N 1 1 379.464 3.820 20 5 GHBDMO C[C@H]1C[C@@H](CCNc2cc(F)c([N+](=O)[O-])cc2CO)C[N@H+]1Cc1ccccc1 ZINC001307073135 1049055305 /nfs/dbraw/zinc/05/53/05/1049055305.db2.gz QAXRWPNNHOSWMT-DOTOQJQBSA-N 1 1 387.455 3.939 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC001307743967 1049556501 /nfs/dbraw/zinc/55/65/01/1049556501.db2.gz GHZXAMWPVQNHHC-MRXNPFEDSA-N 1 1 398.381 3.789 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCN(c3ccccc3Cl)CC2)cc1 ZINC001307749699 1049563527 /nfs/dbraw/zinc/56/35/27/1049563527.db2.gz VGUHQUVZNVXXJW-UHFFFAOYSA-N 1 1 375.856 3.839 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C(C)(C)O)C2)cc1OC ZINC001308050363 1049798536 /nfs/dbraw/zinc/79/85/36/1049798536.db2.gz PDKZZDFPBDBWIE-GDBMZVCRSA-N 1 1 380.485 3.621 20 5 GHBDMO COC(=O)c1ccc(Br)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001308066488 1049813781 /nfs/dbraw/zinc/81/37/81/1049813781.db2.gz AVUHAOKRCWFASD-NSHDSACASA-N 1 1 393.237 3.995 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001308074513 1049820352 /nfs/dbraw/zinc/82/03/52/1049820352.db2.gz RGQNZRVEKVJBNS-FUHIMQAGSA-N 1 1 397.500 3.878 20 5 GHBDMO CC(C)c1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001290436476 1049838955 /nfs/dbraw/zinc/83/89/55/1049838955.db2.gz SJUCJSPMIXVGDK-UHFFFAOYSA-N 1 1 381.476 3.719 20 5 GHBDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001308121383 1049864700 /nfs/dbraw/zinc/86/47/00/1049864700.db2.gz LFOMSPHJVRLXLZ-FQEVSTJZSA-N 1 1 378.469 3.808 20 5 GHBDMO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cnn(CC2CCC2)c1 ZINC001308146409 1049884451 /nfs/dbraw/zinc/88/44/51/1049884451.db2.gz YGVXATQXBZCMNR-LBPRGKRZSA-N 1 1 391.859 3.534 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)o1 ZINC001308476060 1049984762 /nfs/dbraw/zinc/98/47/62/1049984762.db2.gz ROUCSUNVNWTSOA-INIZCTEOSA-N 1 1 380.326 3.945 20 5 GHBDMO NC(=O)c1cc(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001327672262 1050247696 /nfs/dbraw/zinc/24/76/96/1050247696.db2.gz COEXKKSCXUVABT-YQQQUEKLSA-N 1 1 394.475 3.691 20 5 GHBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001329851725 1050912120 /nfs/dbraw/zinc/91/21/20/1050912120.db2.gz VNYUFNUSHAWZJU-CQSZACIVSA-N 1 1 382.844 3.726 20 5 GHBDMO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001313135550 1052965928 /nfs/dbraw/zinc/96/59/28/1052965928.db2.gz CSVKDLIIIWRLPT-ABSDTBQOSA-N 1 1 396.491 3.723 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H](C(N)=O)C1 ZINC001343091095 1053545680 /nfs/dbraw/zinc/54/56/80/1053545680.db2.gz VMEFPKFPCVEJGP-ZBEGNZNMSA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H](C(N)=O)C1 ZINC001343091095 1053545693 /nfs/dbraw/zinc/54/56/93/1053545693.db2.gz VMEFPKFPCVEJGP-ZBEGNZNMSA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@H](CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC001319300152 1055168422 /nfs/dbraw/zinc/16/84/22/1055168422.db2.gz RZPILPVUQDNAHN-MRXNPFEDSA-N 1 1 382.464 3.531 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320664693 1055921115 /nfs/dbraw/zinc/92/11/15/1055921115.db2.gz NANRERAUHJZVJE-VQIMIIECSA-N 1 1 386.427 3.918 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320664693 1055921119 /nfs/dbraw/zinc/92/11/19/1055921119.db2.gz NANRERAUHJZVJE-VQIMIIECSA-N 1 1 386.427 3.918 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC001320907280 1056009553 /nfs/dbraw/zinc/00/95/53/1056009553.db2.gz HFZDXNMUCRGKQE-UHFFFAOYSA-N 1 1 388.439 3.702 20 5 GHBDMO CC(=O)c1ccc2c(c1)CC[N@@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)CC2 ZINC000848481701 1057118758 /nfs/dbraw/zinc/11/87/58/1057118758.db2.gz BVMZCIAHWYZWDL-UHFFFAOYSA-N 1 1 390.443 3.719 20 5 GHBDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)CC2 ZINC000848481701 1057118763 /nfs/dbraw/zinc/11/87/63/1057118763.db2.gz BVMZCIAHWYZWDL-UHFFFAOYSA-N 1 1 390.443 3.719 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001356354267 1057486853 /nfs/dbraw/zinc/48/68/53/1057486853.db2.gz GRMHEHGFNXOVNB-CABCVRRESA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001356354267 1057486857 /nfs/dbraw/zinc/48/68/57/1057486857.db2.gz GRMHEHGFNXOVNB-CABCVRRESA-N 1 1 387.867 3.983 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001326489847 1057495333 /nfs/dbraw/zinc/49/53/33/1057495333.db2.gz UYOOGYIIUVZJEG-NVXWUHKLSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001326489847 1057495336 /nfs/dbraw/zinc/49/53/36/1057495336.db2.gz UYOOGYIIUVZJEG-NVXWUHKLSA-N 1 1 377.803 3.563 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC001440432810 1058516747 /nfs/dbraw/zinc/51/67/47/1058516747.db2.gz IRRXGPWTVZMXGJ-HXUWFJFHSA-N 1 1 395.503 3.816 20 5 GHBDMO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[nH+]1 ZINC001443870651 1059220433 /nfs/dbraw/zinc/22/04/33/1059220433.db2.gz ANMSACBBKKNKBF-ZDUSSCGKSA-N 1 1 392.818 3.807 20 5 GHBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001444844087 1059395449 /nfs/dbraw/zinc/39/54/49/1059395449.db2.gz DICVBLJHQBOKJT-KRWDZBQOSA-N 1 1 382.464 3.603 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001341132956 1060435595 /nfs/dbraw/zinc/43/55/95/1060435595.db2.gz KQNYBGHXJMUEIJ-SJORKVTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001341132956 1060435607 /nfs/dbraw/zinc/43/56/07/1060435607.db2.gz KQNYBGHXJMUEIJ-SJORKVTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[NH+](C)C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001454581959 1061860599 /nfs/dbraw/zinc/86/05/99/1061860599.db2.gz XHVGPUWDDNCNNX-MRXNPFEDSA-N 1 1 398.246 3.640 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC001435309945 1062495861 /nfs/dbraw/zinc/49/58/61/1062495861.db2.gz PVHCLMUFNIWAAL-LJQANCHMSA-N 1 1 383.448 3.513 20 5 GHBDMO C[NH+](C)[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001435360556 1062541305 /nfs/dbraw/zinc/54/13/05/1062541305.db2.gz XGOKLZSFSTWWII-IBGZPJMESA-N 1 1 389.883 3.990 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC001435388492 1062564725 /nfs/dbraw/zinc/56/47/25/1062564725.db2.gz RXQXHXQPZNVCOX-APWZRJJASA-N 1 1 381.476 3.995 20 5 GHBDMO Cc1c(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001435720630 1062881631 /nfs/dbraw/zinc/88/16/31/1062881631.db2.gz JHMZFHBHDAMUPY-UHFFFAOYSA-N 1 1 398.419 3.700 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001456937132 1062924571 /nfs/dbraw/zinc/92/45/71/1062924571.db2.gz KJNVVSCACRCRBH-SFHVURJKSA-N 1 1 399.466 3.647 20 5 GHBDMO C[N@H+]1CC[C@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)[C@@H]1c1ccccc1 ZINC001457584630 1063263782 /nfs/dbraw/zinc/26/37/82/1063263782.db2.gz RNRGFEFIXYLNCL-PXNSSMCTSA-N 1 1 391.431 3.616 20 5 GHBDMO O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001348844725 1063351105 /nfs/dbraw/zinc/35/11/05/1063351105.db2.gz QIDYDYMYNFYXPJ-UHFFFAOYSA-N 1 1 392.400 3.551 20 5 GHBDMO Cc1ccc(COC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC001436404398 1063432309 /nfs/dbraw/zinc/43/23/09/1063432309.db2.gz LBZMLPYLJUFNSA-CALCHBBNSA-N 1 1 398.459 3.869 20 5 GHBDMO Cc1ccc(COC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC001436404398 1063432325 /nfs/dbraw/zinc/43/23/25/1063432325.db2.gz LBZMLPYLJUFNSA-CALCHBBNSA-N 1 1 398.459 3.869 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001458237444 1063684527 /nfs/dbraw/zinc/68/45/27/1063684527.db2.gz FQLQRSZGDFYWAN-QZTJIDSGSA-N 1 1 396.447 3.994 20 5 GHBDMO O=[N+]([O-])c1cccc(F)c1NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001458239909 1063686510 /nfs/dbraw/zinc/68/65/10/1063686510.db2.gz VHXXFHQDJYPABN-UHFFFAOYSA-N 1 1 378.835 3.621 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1)C1CC1 ZINC001458375779 1063770879 /nfs/dbraw/zinc/77/08/79/1063770879.db2.gz OPKNFYTXSZRWOL-UHFFFAOYSA-N 1 1 375.375 3.762 20 5 GHBDMO CSc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001459691717 1064172281 /nfs/dbraw/zinc/17/22/81/1064172281.db2.gz XZCUWJVJAZMLNQ-GOSISDBHSA-N 1 1 388.489 3.721 20 5 GHBDMO CC[C@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001459915284 1064269321 /nfs/dbraw/zinc/26/93/21/1064269321.db2.gz DYZMQGZKBVMFFG-MJGOQNOKSA-N 1 1 396.491 3.518 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(cc1Br)OCO2 ZINC001460002660 1064335300 /nfs/dbraw/zinc/33/53/00/1064335300.db2.gz AVFHZQDKJOEFGP-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(cc1Br)OCO2 ZINC001460002660 1064335315 /nfs/dbraw/zinc/33/53/15/1064335315.db2.gz AVFHZQDKJOEFGP-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001464087689 1064812040 /nfs/dbraw/zinc/81/20/40/1064812040.db2.gz RNWPACFSNZGOJB-UHFFFAOYSA-N 1 1 385.439 3.699 20 5 GHBDMO CC(C)Oc1cc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001464466784 1065027427 /nfs/dbraw/zinc/02/74/27/1065027427.db2.gz MJYFZOKHGMPQBM-IYBDPMFKSA-N 1 1 391.512 3.868 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001465186348 1065447557 /nfs/dbraw/zinc/44/75/57/1065447557.db2.gz CZRGSUBMZMUVDH-HXUWFJFHSA-N 1 1 382.464 3.935 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001466251241 1066055753 /nfs/dbraw/zinc/05/57/53/1066055753.db2.gz ZQUXNQRZRFGQOW-GCJKJVERSA-N 1 1 394.475 3.889 20 5 GHBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC001357702413 1067236384 /nfs/dbraw/zinc/23/63/84/1067236384.db2.gz WWCUZQCYVWQNQD-KRWDZBQOSA-N 1 1 383.473 3.698 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001468264365 1067658416 /nfs/dbraw/zinc/65/84/16/1067658416.db2.gz BXOSRCGOQAMIPU-IYBDPMFKSA-N 1 1 390.528 3.886 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000849293046 1067789432 /nfs/dbraw/zinc/78/94/32/1067789432.db2.gz PAEKBPHHXGHHRZ-IBGZPJMESA-N 1 1 384.505 3.540 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849349801 1067816324 /nfs/dbraw/zinc/81/63/24/1067816324.db2.gz HFSHVORVHACRFT-AWEZNQCLSA-N 1 1 382.302 3.569 20 5 GHBDMO CC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001469665655 1068294834 /nfs/dbraw/zinc/29/48/34/1068294834.db2.gz RGNAHIOBFDJIBZ-SFTDATJTSA-N 1 1 396.491 3.614 20 5 GHBDMO CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001469665655 1068294845 /nfs/dbraw/zinc/29/48/45/1068294845.db2.gz RGNAHIOBFDJIBZ-SFTDATJTSA-N 1 1 396.491 3.614 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001460750566 1069156107 /nfs/dbraw/zinc/15/61/07/1069156107.db2.gz JZOFIPQVFFYJFX-IFXJQAMLSA-N 1 1 395.887 3.937 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001460750566 1069156110 /nfs/dbraw/zinc/15/61/10/1069156110.db2.gz JZOFIPQVFFYJFX-IFXJQAMLSA-N 1 1 395.887 3.937 20 5 GHBDMO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001470711433 1072697734 /nfs/dbraw/zinc/69/77/34/1072697734.db2.gz NBNJPBVOXDNXFO-AEFFLSMTSA-N 1 1 399.516 3.775 20 5 GHBDMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])C2)c1 ZINC001470714451 1072700880 /nfs/dbraw/zinc/70/08/80/1072700880.db2.gz XTFGCXXHBBWRPE-INIZCTEOSA-N 1 1 387.867 3.869 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001472665142 1073604116 /nfs/dbraw/zinc/60/41/16/1073604116.db2.gz IGIBHXZPCKATDV-UHFFFAOYSA-N 1 1 389.496 3.782 20 5 GHBDMO CCC[C@@H]1CN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC001472734385 1073642331 /nfs/dbraw/zinc/64/23/31/1073642331.db2.gz GVLHRVBXIFLMNV-CQSZACIVSA-N 1 1 389.418 3.859 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001472826117 1073683456 /nfs/dbraw/zinc/68/34/56/1073683456.db2.gz JHSQSBNKKMCDKF-IBGZPJMESA-N 1 1 376.460 3.896 20 5 GHBDMO CC(C)(C)OC(=O)NC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001472873649 1073705922 /nfs/dbraw/zinc/70/59/22/1073705922.db2.gz ADVZGPIBDJTHIF-UHFFFAOYSA-N 1 1 398.891 3.649 20 5 GHBDMO C[C@@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccccc1[N+](=O)[O-] ZINC001479212817 1079155859 /nfs/dbraw/zinc/15/58/59/1079155859.db2.gz GKEFJXAGRZUESX-KURKYZTESA-N 1 1 388.512 3.952 20 5 GHBDMO CCC1CCC([N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)CC1 ZINC001473112182 1073784885 /nfs/dbraw/zinc/78/48/85/1073784885.db2.gz MCHIWRNLJDSYGG-UHFFFAOYSA-N 1 1 375.469 3.975 20 5 GHBDMO Cc1ccc(C[C@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001473133982 1073797805 /nfs/dbraw/zinc/79/78/05/1073797805.db2.gz JSVCVOZVSDPNJH-WOJBJXKFSA-N 1 1 384.476 3.598 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001473154361 1073814134 /nfs/dbraw/zinc/81/41/34/1073814134.db2.gz VHIZNFQNDUPRNB-KRWDZBQOSA-N 1 1 396.491 3.518 20 5 GHBDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001473181524 1073837100 /nfs/dbraw/zinc/83/71/00/1073837100.db2.gz XQKXKKKVVHYBJY-HNNXBMFYSA-N 1 1 392.887 3.716 20 5 GHBDMO C[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC001473205638 1073858361 /nfs/dbraw/zinc/85/83/61/1073858361.db2.gz LJCUZJWGYUJWLY-GUYCJALGSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC001473205638 1073858367 /nfs/dbraw/zinc/85/83/67/1073858367.db2.gz LJCUZJWGYUJWLY-GUYCJALGSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001473334349 1073925328 /nfs/dbraw/zinc/92/53/28/1073925328.db2.gz PIPGSSDZPQMNPR-HZPDHXFCSA-N 1 1 393.484 3.693 20 5 GHBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001473334349 1073925330 /nfs/dbraw/zinc/92/53/30/1073925330.db2.gz PIPGSSDZPQMNPR-HZPDHXFCSA-N 1 1 393.484 3.693 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)cc1OC ZINC001473391344 1073946928 /nfs/dbraw/zinc/94/69/28/1073946928.db2.gz QMVJSWHFTMBGPI-AVYPCKFXSA-N 1 1 380.485 3.885 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)cc1OC ZINC001473391344 1073946929 /nfs/dbraw/zinc/94/69/29/1073946929.db2.gz QMVJSWHFTMBGPI-AVYPCKFXSA-N 1 1 380.485 3.885 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC001473530197 1074004673 /nfs/dbraw/zinc/00/46/73/1074004673.db2.gz HEPNIODAIPZDLT-RXVVDRJESA-N 1 1 382.460 3.952 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001473558148 1074015813 /nfs/dbraw/zinc/01/58/13/1074015813.db2.gz GFJZXGMPAXUMON-HNNXBMFYSA-N 1 1 378.469 3.937 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001473658973 1074071889 /nfs/dbraw/zinc/07/18/89/1074071889.db2.gz JWTHIRWAKXDUJO-KBRIMQKVSA-N 1 1 381.448 3.901 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001473658973 1074071893 /nfs/dbraw/zinc/07/18/93/1074071893.db2.gz JWTHIRWAKXDUJO-KBRIMQKVSA-N 1 1 381.448 3.901 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001473709397 1074100316 /nfs/dbraw/zinc/10/03/16/1074100316.db2.gz UCSRLWNOJLVFNQ-MRXNPFEDSA-N 1 1 393.484 3.743 20 5 GHBDMO C[C@]1(c2ccccc2)CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC001473754116 1074123809 /nfs/dbraw/zinc/12/38/09/1074123809.db2.gz GDNFAVHQVTUQRE-OAQYLSRUSA-N 1 1 381.432 3.904 20 5 GHBDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cc(F)ccc1OC ZINC001473813781 1074157024 /nfs/dbraw/zinc/15/70/24/1074157024.db2.gz RKCBESYXCPTUSP-SWLSCSKDSA-N 1 1 375.400 3.810 20 5 GHBDMO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001473985194 1074226317 /nfs/dbraw/zinc/22/63/17/1074226317.db2.gz HKIPLLSYEYMRHI-UHFFFAOYSA-N 1 1 393.443 3.993 20 5 GHBDMO Cc1cccc(OC[C@H](O)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C(C)C)c1 ZINC001474309431 1074334264 /nfs/dbraw/zinc/33/42/64/1074334264.db2.gz CAVRYYQOQVGCGB-QGZVFWFLSA-N 1 1 399.447 3.695 20 5 GHBDMO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001474479194 1074424480 /nfs/dbraw/zinc/42/44/80/1074424480.db2.gz LPCPHWZXKNQXHQ-UHFFFAOYSA-N 1 1 390.447 3.872 20 5 GHBDMO CCOc1cc(N2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC001474491636 1074430215 /nfs/dbraw/zinc/43/02/15/1074430215.db2.gz RVIPUIBXGVLSRH-ARJAWSKDSA-N 1 1 385.439 3.968 20 5 GHBDMO Cc1sc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000109482603 222514776 /nfs/dbraw/zinc/51/47/76/222514776.db2.gz QPCYAQGASCZQKS-UHFFFAOYSA-N 1 1 377.491 3.766 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC001164629096 719085611 /nfs/dbraw/zinc/08/56/11/719085611.db2.gz VNXIPLXQXNRHDJ-VQIMIIECSA-N 1 1 377.448 3.572 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001267591172 837503443 /nfs/dbraw/zinc/50/34/43/837503443.db2.gz MCTNGJPOZVMRRN-VQIMIIECSA-N 1 1 397.475 3.632 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000175270709 834415406 /nfs/dbraw/zinc/41/54/06/834415406.db2.gz NDCNDRXTWPMHPM-KRWDZBQOSA-N 1 1 387.505 3.949 20 5 GHBDMO COc1ccccc1[C@@H](CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)[NH+](C)C ZINC000093905208 834709413 /nfs/dbraw/zinc/70/94/13/834709413.db2.gz XALRAAODJPTDHP-QGZVFWFLSA-N 1 1 385.464 3.561 20 5 GHBDMO Cc1c(-c2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cccc1[N+](=O)[O-] ZINC000583735104 834950143 /nfs/dbraw/zinc/95/01/43/834950143.db2.gz SZBVIEYPTQOCBV-INIZCTEOSA-N 1 1 379.420 3.728 20 5 GHBDMO C[C@H]1C[C@@H](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000510082285 835009083 /nfs/dbraw/zinc/00/90/83/835009083.db2.gz DODUAIOUJHDVJR-PKOBYXMFSA-N 1 1 381.476 3.554 20 5 GHBDMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3OC)ccc2NC1=O ZINC000430207119 835089305 /nfs/dbraw/zinc/08/93/05/835089305.db2.gz YUEKHOXUDGVCBQ-SJCJKPOMSA-N 1 1 385.420 3.564 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000471170087 835384406 /nfs/dbraw/zinc/38/44/06/835384406.db2.gz SOSOORVUUSTOKO-IBGZPJMESA-N 1 1 396.491 3.833 20 5 GHBDMO CSc1cccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188206954 835470607 /nfs/dbraw/zinc/47/06/07/835470607.db2.gz RPRHQHWWYZPUSN-HOCLYGCPSA-N 1 1 385.489 3.710 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188206982 835470626 /nfs/dbraw/zinc/47/06/26/835470626.db2.gz RPRHQHWWYZPUSN-GDBMZVCRSA-N 1 1 385.489 3.710 20 5 GHBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc2ccccc21 ZINC000053017171 835951750 /nfs/dbraw/zinc/95/17/50/835951750.db2.gz IGUQAXJQWCBRLB-UHFFFAOYSA-N 1 1 393.399 3.547 20 5 GHBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc2ccccc21 ZINC000053017171 835951754 /nfs/dbraw/zinc/95/17/54/835951754.db2.gz IGUQAXJQWCBRLB-UHFFFAOYSA-N 1 1 393.399 3.547 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000411181588 836080895 /nfs/dbraw/zinc/08/08/95/836080895.db2.gz UMYLINBKHJOMJZ-SFHVURJKSA-N 1 1 387.411 3.908 20 5 GHBDMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000177161154 836081748 /nfs/dbraw/zinc/08/17/48/836081748.db2.gz LHQMGSOJAFPAFE-IBGZPJMESA-N 1 1 382.416 3.932 20 5 GHBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000065910746 836194748 /nfs/dbraw/zinc/19/47/48/836194748.db2.gz MPLDZOQHAHNBNX-UHFFFAOYSA-N 1 1 376.501 3.510 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000582085254 836243667 /nfs/dbraw/zinc/24/36/67/836243667.db2.gz ZABIGUCTRRZKEJ-WMLDXEAASA-N 1 1 376.840 3.825 20 5 GHBDMO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000431821217 836249417 /nfs/dbraw/zinc/24/94/17/836249417.db2.gz DUXBLIOVUILCNU-WBVHZDCISA-N 1 1 398.463 3.632 20 5 GHBDMO O=C([C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1)N1CCCC1 ZINC000582328391 836279348 /nfs/dbraw/zinc/27/93/48/836279348.db2.gz WWHNKTFQAMPINH-MRXNPFEDSA-N 1 1 385.489 3.768 20 5 GHBDMO CC(C)(C)NC(=O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236653685 836356291 /nfs/dbraw/zinc/35/62/91/836356291.db2.gz QZXBBQZVSSCWMZ-UHFFFAOYSA-N 1 1 375.400 3.531 20 5 GHBDMO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000411891799 836419299 /nfs/dbraw/zinc/41/92/99/836419299.db2.gz HXRPMBKICPFMAQ-PJSAGSTRSA-N 1 1 380.404 3.608 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175416551 836488856 /nfs/dbraw/zinc/48/88/56/836488856.db2.gz ILQPWMISWPPNIF-INIZCTEOSA-N 1 1 387.867 3.842 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180185820 836606868 /nfs/dbraw/zinc/60/68/68/836606868.db2.gz FKFVDUWTXINRBG-ZOCIIQOWSA-N 1 1 385.489 3.637 20 5 GHBDMO CC(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000471275489 836737162 /nfs/dbraw/zinc/73/71/62/836737162.db2.gz AQFJLTTYTRREOV-SFHVURJKSA-N 1 1 381.476 3.970 20 5 GHBDMO COc1c(O)ccc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000892584120 836768936 /nfs/dbraw/zinc/76/89/36/836768936.db2.gz HLVNZIVFYYBSQB-UHFFFAOYSA-N 1 1 386.326 3.540 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1cccs1 ZINC000247137322 836919833 /nfs/dbraw/zinc/91/98/33/836919833.db2.gz ZOOIEFDPQYEGMX-DJJJIMSYSA-N 1 1 398.488 3.951 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000066676419 837177193 /nfs/dbraw/zinc/17/71/93/837177193.db2.gz ZEHAODXDPVWOOA-UHFFFAOYSA-N 1 1 381.476 3.508 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000414337087 837199482 /nfs/dbraw/zinc/19/94/82/837199482.db2.gz QAHNTCWQDORLRS-SQNIBIBYSA-N 1 1 386.496 3.990 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000180463039 837283398 /nfs/dbraw/zinc/28/33/98/837283398.db2.gz SGXKUVFWIMIKBO-UHFFFAOYSA-N 1 1 394.431 3.922 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000180463039 837283402 /nfs/dbraw/zinc/28/34/02/837283402.db2.gz SGXKUVFWIMIKBO-UHFFFAOYSA-N 1 1 394.431 3.922 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000472515954 837319124 /nfs/dbraw/zinc/31/91/24/837319124.db2.gz JAITWLYCJCTNLJ-LFUKPOHLSA-N 1 1 381.476 3.790 20 5 GHBDMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000180553437 837366035 /nfs/dbraw/zinc/36/60/35/837366035.db2.gz KWJLEZUHIDOVTP-AWEZNQCLSA-N 1 1 385.317 3.956 20 5 GHBDMO C[N@@H+](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177045220 837853272 /nfs/dbraw/zinc/85/32/72/837853272.db2.gz NDALGIDOEZHIBE-UHFFFAOYSA-N 1 1 399.344 3.615 20 5 GHBDMO CCOc1ccc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000471456844 838221553 /nfs/dbraw/zinc/22/15/53/838221553.db2.gz DQYJDXZJZFFWGX-MRXNPFEDSA-N 1 1 385.464 3.634 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189311028 838252632 /nfs/dbraw/zinc/25/26/32/838252632.db2.gz DQSMGOHAODPVSQ-UHFFFAOYSA-N 1 1 383.448 3.596 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000120559647 844331107 /nfs/dbraw/zinc/33/11/07/844331107.db2.gz ONBXTOISSJCTPA-NSHDSACASA-N 1 1 379.363 3.561 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000053232761 838543620 /nfs/dbraw/zinc/54/36/20/838543620.db2.gz DSGNJKQLGQLQGW-GFCCVEGCSA-N 1 1 377.828 3.888 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000053232761 838543623 /nfs/dbraw/zinc/54/36/23/838543623.db2.gz DSGNJKQLGQLQGW-GFCCVEGCSA-N 1 1 377.828 3.888 20 5 GHBDMO O=C(CC[N@H+]1CCc2ccccc2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000416176898 838669723 /nfs/dbraw/zinc/66/97/23/838669723.db2.gz HDSIVDUCROHYIA-UHFFFAOYSA-N 1 1 379.460 3.534 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000104662770 838834836 /nfs/dbraw/zinc/83/48/36/838834836.db2.gz KZTWUVLGMZZBJZ-UHFFFAOYSA-N 1 1 397.431 3.812 20 5 GHBDMO O=C([C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000378411394 839072667 /nfs/dbraw/zinc/07/26/67/839072667.db2.gz VGUNSBAUCRCHPM-QGZVFWFLSA-N 1 1 391.899 3.863 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000549168952 839139217 /nfs/dbraw/zinc/13/92/17/839139217.db2.gz PDWBQIZIDTXUGL-UHFFFAOYSA-N 1 1 392.337 3.737 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000549168952 839139224 /nfs/dbraw/zinc/13/92/24/839139224.db2.gz PDWBQIZIDTXUGL-UHFFFAOYSA-N 1 1 392.337 3.737 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000378633290 839451308 /nfs/dbraw/zinc/45/13/08/839451308.db2.gz MLBHNXIMPUWYDM-ZDUSSCGKSA-N 1 1 392.374 3.545 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000549290401 839856478 /nfs/dbraw/zinc/85/64/78/839856478.db2.gz PTVBMQJEUZDPJN-UHFFFAOYSA-N 1 1 385.464 3.634 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000412177093 839873834 /nfs/dbraw/zinc/87/38/34/839873834.db2.gz LELMXZOGYCXGBG-UHVFKWDWSA-N 1 1 393.487 3.868 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000580603085 839876501 /nfs/dbraw/zinc/87/65/01/839876501.db2.gz VHAAAHKQEZUPDP-LJQANCHMSA-N 1 1 386.448 3.793 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000610466768 840391774 /nfs/dbraw/zinc/39/17/74/840391774.db2.gz ULZBHLFZZVDGJC-QFIPXVFZSA-N 1 1 379.460 3.723 20 5 GHBDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000477012534 840681979 /nfs/dbraw/zinc/68/19/79/840681979.db2.gz SMBSURQDAURHAU-QWHCGFSZSA-N 1 1 375.856 3.971 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000511838237 840917387 /nfs/dbraw/zinc/91/73/87/840917387.db2.gz MZAXCMDXEQLESR-ZHHKINOHSA-N 1 1 382.460 3.603 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048322809 840966124 /nfs/dbraw/zinc/96/61/24/840966124.db2.gz HDVZXBIAJGJGJW-UHFFFAOYSA-N 1 1 380.448 3.846 20 5 GHBDMO C[C@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610400891 841328325 /nfs/dbraw/zinc/32/83/25/841328325.db2.gz ORRKZOYUQUCLRW-JXFKEZNVSA-N 1 1 382.464 3.572 20 5 GHBDMO C[N@@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000600178196 861194077 /nfs/dbraw/zinc/19/40/77/861194077.db2.gz GWIFUWLAAPDKLC-LJQANCHMSA-N 1 1 392.839 3.624 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000500101506 841438238 /nfs/dbraw/zinc/43/82/38/841438238.db2.gz YMGONQYETJFCTB-MRXNPFEDSA-N 1 1 385.464 3.885 20 5 GHBDMO Cc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302087279 861202049 /nfs/dbraw/zinc/20/20/49/861202049.db2.gz NYJBLFIHTQGGMV-GOSISDBHSA-N 1 1 384.480 3.533 20 5 GHBDMO COc1c(O)ccc(C[NH+]2CCC(OCc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000893433830 841511594 /nfs/dbraw/zinc/51/15/94/841511594.db2.gz NDDDTLKYGIXPSS-UHFFFAOYSA-N 1 1 390.411 3.629 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2)C1 ZINC000603812843 861215869 /nfs/dbraw/zinc/21/58/69/861215869.db2.gz KWDIUDHKYXDBIE-CQSZACIVSA-N 1 1 397.431 3.808 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133261 841858422 /nfs/dbraw/zinc/85/84/22/841858422.db2.gz UYXOMPVYXUXFHN-PGRDOPGGSA-N 1 1 397.475 3.941 20 5 GHBDMO C[C@H]1C[N@@H+](CCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000432427725 842463398 /nfs/dbraw/zinc/46/33/98/842463398.db2.gz DSRSDQPROVRZGH-PGRDOPGGSA-N 1 1 383.492 3.775 20 5 GHBDMO CCc1nc(C[NH+]2CCC(CNc3nc(C)ccc3[N+](=O)[O-])CC2)cs1 ZINC000178222137 842521618 /nfs/dbraw/zinc/52/16/18/842521618.db2.gz MDTVZYPOQIERIR-UHFFFAOYSA-N 1 1 375.498 3.641 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000512111287 842532052 /nfs/dbraw/zinc/53/20/52/842532052.db2.gz GHSCHRFKYYVXSG-YLJYHZDGSA-N 1 1 396.491 3.614 20 5 GHBDMO CCc1oc2ccccc2c1C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610556455 842587118 /nfs/dbraw/zinc/58/71/18/842587118.db2.gz FLSVUFVMGBMJNC-INIZCTEOSA-N 1 1 384.432 3.775 20 5 GHBDMO CC(=O)c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000302780522 861360905 /nfs/dbraw/zinc/36/09/05/861360905.db2.gz IOOWNLICFJXSJH-LJQANCHMSA-N 1 1 383.448 3.500 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4ccnn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000510642133 843114744 /nfs/dbraw/zinc/11/47/44/843114744.db2.gz ZBXZVVOZFKYOJV-OAHLLOKOSA-N 1 1 396.447 3.977 20 5 GHBDMO Cc1c(C[N@@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000510678137 843183912 /nfs/dbraw/zinc/18/39/12/843183912.db2.gz BCFSTVDKVBMSQW-INIZCTEOSA-N 1 1 398.381 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)nc2c1 ZINC000512254416 843237553 /nfs/dbraw/zinc/23/75/53/843237553.db2.gz WDFHUQLUKGDYHN-JOCHJYFZSA-N 1 1 392.459 3.834 20 5 GHBDMO COc1cc2c(cc1OC)C[N@H+](CCNc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000510807880 843519801 /nfs/dbraw/zinc/51/98/01/843519801.db2.gz DXSKJNAAEPHCQQ-UHFFFAOYSA-N 1 1 391.855 3.736 20 5 GHBDMO COc1cc2c(cc1OC)C[N@@H+](CCNc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000510807880 843519809 /nfs/dbraw/zinc/51/98/09/843519809.db2.gz DXSKJNAAEPHCQQ-UHFFFAOYSA-N 1 1 391.855 3.736 20 5 GHBDMO C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCCC[C@H]1C ZINC000510849807 843611402 /nfs/dbraw/zinc/61/14/02/843611402.db2.gz BLHOBULIIFQSOV-NEPJUHHUSA-N 1 1 386.399 3.581 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1cccc(Cl)c1 ZINC000015049913 843824616 /nfs/dbraw/zinc/82/46/16/843824616.db2.gz YTUYGXGXBOXRFI-ZDUSSCGKSA-N 1 1 377.828 3.586 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000015049913 843824623 /nfs/dbraw/zinc/82/46/23/843824623.db2.gz YTUYGXGXBOXRFI-ZDUSSCGKSA-N 1 1 377.828 3.586 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(CCN4CCOCC4)CC3)o2)cc1 ZINC000512449533 843841900 /nfs/dbraw/zinc/84/19/00/843841900.db2.gz IDYUAXPYBXLXKN-UHFFFAOYSA-N 1 1 399.491 3.789 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc([N+](=O)[O-])c1C ZINC000500743833 843929816 /nfs/dbraw/zinc/92/98/16/843929816.db2.gz MMGHVDJGVOQQIU-UHFFFAOYSA-N 1 1 377.828 3.879 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cscc3Br)C2)nc1 ZINC000572682751 843960928 /nfs/dbraw/zinc/96/09/28/843960928.db2.gz UFHRAFPJSGLWNT-LLVKDONJSA-N 1 1 383.271 3.500 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cscc3Br)C2)nc1 ZINC000572682751 843960930 /nfs/dbraw/zinc/96/09/30/843960930.db2.gz UFHRAFPJSGLWNT-LLVKDONJSA-N 1 1 383.271 3.500 20 5 GHBDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610944740 844876124 /nfs/dbraw/zinc/87/61/24/844876124.db2.gz SMJYVJQXFBFYEO-IBGZPJMESA-N 1 1 395.459 3.720 20 5 GHBDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610944740 844876129 /nfs/dbraw/zinc/87/61/29/844876129.db2.gz SMJYVJQXFBFYEO-IBGZPJMESA-N 1 1 395.459 3.720 20 5 GHBDMO CC[C@@H](NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176244147 844921758 /nfs/dbraw/zinc/92/17/58/844921758.db2.gz ZUXXDDAKXYSTNG-LJQANCHMSA-N 1 1 397.479 3.718 20 5 GHBDMO COc1ccc([C@H]2CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1F ZINC000599680086 861518139 /nfs/dbraw/zinc/51/81/39/861518139.db2.gz QFABAAQUUWWKBP-HNNXBMFYSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1F ZINC000599680086 861518153 /nfs/dbraw/zinc/51/81/53/861518153.db2.gz QFABAAQUUWWKBP-HNNXBMFYSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1F ZINC000599680087 861518573 /nfs/dbraw/zinc/51/85/73/861518573.db2.gz QFABAAQUUWWKBP-OAHLLOKOSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1F ZINC000599680087 861518577 /nfs/dbraw/zinc/51/85/77/861518577.db2.gz QFABAAQUUWWKBP-OAHLLOKOSA-N 1 1 398.394 3.782 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000433053353 845089304 /nfs/dbraw/zinc/08/93/04/845089304.db2.gz PDWNKVYZTMFKEN-SFHVURJKSA-N 1 1 397.475 3.984 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000433828283 845443781 /nfs/dbraw/zinc/44/37/81/845443781.db2.gz JLRNNKQZCFLXOS-AWEZNQCLSA-N 1 1 385.468 3.926 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000513522000 845573719 /nfs/dbraw/zinc/57/37/19/845573719.db2.gz VRNKJHGPATUMDR-NRFANRHFSA-N 1 1 398.438 3.864 20 5 GHBDMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533873906 845581129 /nfs/dbraw/zinc/58/11/29/845581129.db2.gz BKINWQXELFAPOT-NRFANRHFSA-N 1 1 397.450 3.673 20 5 GHBDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533873906 845581140 /nfs/dbraw/zinc/58/11/40/845581140.db2.gz BKINWQXELFAPOT-NRFANRHFSA-N 1 1 397.450 3.673 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000131689109 861585778 /nfs/dbraw/zinc/58/57/78/861585778.db2.gz GYBZTWOVQSFHGT-MRXNPFEDSA-N 1 1 382.464 3.654 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000131689109 861585788 /nfs/dbraw/zinc/58/57/88/861585788.db2.gz GYBZTWOVQSFHGT-MRXNPFEDSA-N 1 1 382.464 3.654 20 5 GHBDMO COCC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCSC1 ZINC000433177712 845630506 /nfs/dbraw/zinc/63/05/06/845630506.db2.gz DSBSTEINULKMOG-KRWDZBQOSA-N 1 1 391.493 3.636 20 5 GHBDMO CCN1CCC[C@@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1c1cnn(C)c1 ZINC000434013102 845727391 /nfs/dbraw/zinc/72/73/91/845727391.db2.gz SNUMCADMWJWVFY-GHTZIAJQSA-N 1 1 385.512 3.542 20 5 GHBDMO CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1c1cnn(C)c1 ZINC000434013102 845727399 /nfs/dbraw/zinc/72/73/99/845727399.db2.gz SNUMCADMWJWVFY-GHTZIAJQSA-N 1 1 385.512 3.542 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CN(C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1c1cnn(C)c1 ZINC000434013102 845727400 /nfs/dbraw/zinc/72/74/00/845727400.db2.gz SNUMCADMWJWVFY-GHTZIAJQSA-N 1 1 385.512 3.542 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)CC)s2)cc1[N+](=O)[O-] ZINC000280182878 846324315 /nfs/dbraw/zinc/32/43/15/846324315.db2.gz RUNMVQHKTPJKRS-GFCCVEGCSA-N 1 1 398.506 3.699 20 5 GHBDMO C[C@H](CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000551673471 846474076 /nfs/dbraw/zinc/47/40/76/846474076.db2.gz KRXDCBZECPNPMN-QGZVFWFLSA-N 1 1 383.492 3.899 20 5 GHBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000513702150 846506770 /nfs/dbraw/zinc/50/67/70/846506770.db2.gz FFLVSFUFBAWTRM-UWJYYQICSA-N 1 1 394.475 3.860 20 5 GHBDMO Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000502993760 846693910 /nfs/dbraw/zinc/69/39/10/846693910.db2.gz BQKRXMCJHXLDHA-UHFFFAOYSA-N 1 1 381.211 3.627 20 5 GHBDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1SC ZINC000501152781 846701156 /nfs/dbraw/zinc/70/11/56/846701156.db2.gz YXPLZGDWZVPCPN-UHFFFAOYSA-N 1 1 389.477 3.786 20 5 GHBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000183248405 846831520 /nfs/dbraw/zinc/83/15/20/846831520.db2.gz DYUKCQLBCKWWIO-PZJWPPBQSA-N 1 1 395.459 3.620 20 5 GHBDMO CC[N@@H+](C)[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000479419101 847638786 /nfs/dbraw/zinc/63/87/86/847638786.db2.gz HBALNWCYYPLXCS-SFHVURJKSA-N 1 1 375.856 3.600 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCC[C@H]3OCc3ccccc3)n2)c1 ZINC000503527431 847758778 /nfs/dbraw/zinc/75/87/78/847758778.db2.gz YVWCXKNGBSJRAN-RTBURBONSA-N 1 1 394.431 3.872 20 5 GHBDMO Cc1nc(CC[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000503558763 847799606 /nfs/dbraw/zinc/79/96/06/847799606.db2.gz XKNPECBGSDOFOK-UHFFFAOYSA-N 1 1 387.827 3.799 20 5 GHBDMO Cc1nnc(CC[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)[nH]1 ZINC000503558763 847799616 /nfs/dbraw/zinc/79/96/16/847799616.db2.gz XKNPECBGSDOFOK-UHFFFAOYSA-N 1 1 387.827 3.799 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000303685905 861837331 /nfs/dbraw/zinc/83/73/31/861837331.db2.gz ZYYAWRAHWOBKEJ-OAQYLSRUSA-N 1 1 383.448 3.596 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000303685905 861837349 /nfs/dbraw/zinc/83/73/49/861837349.db2.gz ZYYAWRAHWOBKEJ-OAQYLSRUSA-N 1 1 383.448 3.596 20 5 GHBDMO COc1cccc(CC2CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000612123333 848479862 /nfs/dbraw/zinc/47/98/62/848479862.db2.gz UNIRCISWZGCKFJ-UHFFFAOYSA-N 1 1 397.475 3.805 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278189912 849573711 /nfs/dbraw/zinc/57/37/11/849573711.db2.gz ORRORAOXKZAVDF-INIZCTEOSA-N 1 1 377.488 3.898 20 5 GHBDMO C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504279659 849994845 /nfs/dbraw/zinc/99/48/45/849994845.db2.gz MQGPNRWRGPQZRE-SJLPKXTDSA-N 1 1 379.460 3.785 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481703528 862079897 /nfs/dbraw/zinc/07/98/97/862079897.db2.gz LABWUSGQUOBJSU-JOCHJYFZSA-N 1 1 395.459 3.753 20 5 GHBDMO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000487448651 862083833 /nfs/dbraw/zinc/08/38/33/862083833.db2.gz QRDUSEBCCWYVKL-UHFFFAOYSA-N 1 1 383.473 3.666 20 5 GHBDMO Cc1ccc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000504737328 850264613 /nfs/dbraw/zinc/26/46/13/850264613.db2.gz KYNQLMVIMSROSH-UHFFFAOYSA-N 1 1 382.464 3.862 20 5 GHBDMO COc1ccc2c(c1)CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000439771287 850398355 /nfs/dbraw/zinc/39/83/55/850398355.db2.gz SAKJRNWHSJVKRJ-UHFFFAOYSA-N 1 1 392.459 3.605 20 5 GHBDMO COc1cc(CN2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435372871 850422020 /nfs/dbraw/zinc/42/20/20/850422020.db2.gz SUYLBEMGIJOUBX-INIZCTEOSA-N 1 1 399.491 3.742 20 5 GHBDMO CC(C)(C)Oc1cc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000487076522 850428299 /nfs/dbraw/zinc/42/82/99/850428299.db2.gz SFYGSOGIRPCLLZ-MOPGFXCFSA-N 1 1 399.491 3.819 20 5 GHBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C2)C1 ZINC000569722063 850505719 /nfs/dbraw/zinc/50/57/19/850505719.db2.gz WIZRLAFCEYGFNL-NRFANRHFSA-N 1 1 381.432 3.555 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000426529127 850579819 /nfs/dbraw/zinc/57/98/19/850579819.db2.gz JSFCZBQPPHYIHU-VQIMIIECSA-N 1 1 398.459 3.833 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c2ccncc21 ZINC000018061591 850725417 /nfs/dbraw/zinc/72/54/17/850725417.db2.gz DTSDCKQCHLXLPB-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO Cc1cc(OCC(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)ccc1[N+](=O)[O-] ZINC000435767274 850841012 /nfs/dbraw/zinc/84/10/12/850841012.db2.gz GEWYPMMWVKTMBR-UHFFFAOYSA-N 1 1 383.448 3.892 20 5 GHBDMO CC(C)[N@@H+](CCO)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506790363 850932403 /nfs/dbraw/zinc/93/24/03/850932403.db2.gz ZKDKPILMNMUVLA-UHFFFAOYSA-N 1 1 380.448 3.650 20 5 GHBDMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000513840515 850933211 /nfs/dbraw/zinc/93/32/11/850933211.db2.gz CWINFINJJXTAIS-SFHVURJKSA-N 1 1 379.460 3.786 20 5 GHBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1Br ZINC000150096754 850939723 /nfs/dbraw/zinc/93/97/23/850939723.db2.gz DYRSPYLAWICOHL-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1Br ZINC000150096754 850939737 /nfs/dbraw/zinc/93/97/37/850939737.db2.gz DYRSPYLAWICOHL-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO C[N@@H+]1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000425443239 851095720 /nfs/dbraw/zinc/09/57/20/851095720.db2.gz LIEUMRUULCNXPL-WMZOPIPTSA-N 1 1 390.281 3.892 20 5 GHBDMO C[N@H+]1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000425443239 851095729 /nfs/dbraw/zinc/09/57/29/851095729.db2.gz LIEUMRUULCNXPL-WMZOPIPTSA-N 1 1 390.281 3.892 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000488054086 851125862 /nfs/dbraw/zinc/12/58/62/851125862.db2.gz PRZKQLUSXBLWLX-AEFFLSMTSA-N 1 1 396.491 3.965 20 5 GHBDMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000434510959 851191525 /nfs/dbraw/zinc/19/15/25/851191525.db2.gz OQSCNGCKXXYVTG-CQSZACIVSA-N 1 1 394.928 3.967 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514105001 851241640 /nfs/dbraw/zinc/24/16/40/851241640.db2.gz OBKVDJCVKHCCDL-LJQANCHMSA-N 1 1 380.423 3.878 20 5 GHBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436136527 851247458 /nfs/dbraw/zinc/24/74/58/851247458.db2.gz HPYXMCSVEAWRMX-HOTGVXAUSA-N 1 1 377.488 3.532 20 5 GHBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515819274 851523816 /nfs/dbraw/zinc/52/38/16/851523816.db2.gz MTPKLAFRGRTCCY-ZDUSSCGKSA-N 1 1 376.482 3.569 20 5 GHBDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604492967 862253080 /nfs/dbraw/zinc/25/30/80/862253080.db2.gz OZHQTJWGKAENIA-LLVKDONJSA-N 1 1 381.354 3.906 20 5 GHBDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604492967 862253095 /nfs/dbraw/zinc/25/30/95/862253095.db2.gz OZHQTJWGKAENIA-LLVKDONJSA-N 1 1 381.354 3.906 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000488484720 851555279 /nfs/dbraw/zinc/55/52/79/851555279.db2.gz XORMSWTYSFEHMJ-RDTXWAMCSA-N 1 1 387.867 3.889 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000425550666 851625603 /nfs/dbraw/zinc/62/56/03/851625603.db2.gz INXHWQRUGOOOFM-FQEVSTJZSA-N 1 1 387.480 3.513 20 5 GHBDMO C[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000732414553 862280734 /nfs/dbraw/zinc/28/07/34/862280734.db2.gz QQLCIHLFICEQJR-CYBMUJFWSA-N 1 1 376.844 3.890 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000729471173 852174579 /nfs/dbraw/zinc/17/45/79/852174579.db2.gz WCAOWDPDRCKNCP-MRXNPFEDSA-N 1 1 398.463 3.628 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000729471173 852174587 /nfs/dbraw/zinc/17/45/87/852174587.db2.gz WCAOWDPDRCKNCP-MRXNPFEDSA-N 1 1 398.463 3.628 20 5 GHBDMO C[N@@H+](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CCCCC1 ZINC000517671752 852250152 /nfs/dbraw/zinc/25/01/52/852250152.db2.gz WWROELOVEIJPHP-UHFFFAOYSA-N 1 1 377.488 3.676 20 5 GHBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505904962 852517216 /nfs/dbraw/zinc/51/72/16/852517216.db2.gz YJBBDXHLXBLNJX-UHFFFAOYSA-N 1 1 392.400 3.551 20 5 GHBDMO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000489768909 852596730 /nfs/dbraw/zinc/59/67/30/852596730.db2.gz FVRZPFKPVOYJHU-PKOBYXMFSA-N 1 1 396.491 3.520 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489882108 852621535 /nfs/dbraw/zinc/62/15/35/852621535.db2.gz GRYRAEZBDIYSAL-UXLLHSPISA-N 1 1 376.501 3.631 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C2CC2)cc1 ZINC000507155613 852622561 /nfs/dbraw/zinc/62/25/61/852622561.db2.gz PFPXZGHVRAYTFN-UHFFFAOYSA-N 1 1 392.415 3.878 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C2(CCCCC2)C1 ZINC000437041965 852662735 /nfs/dbraw/zinc/66/27/35/852662735.db2.gz SGFYPHMNKPBIDJ-UHFFFAOYSA-N 1 1 385.386 3.704 20 5 GHBDMO COc1ccc(CN2CCC[N@@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000507478040 852950996 /nfs/dbraw/zinc/95/09/96/852950996.db2.gz BNXHIPFYPGDUFX-UHFFFAOYSA-N 1 1 383.492 3.744 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)CCC(F)(F)F ZINC000427420345 853087646 /nfs/dbraw/zinc/08/76/46/853087646.db2.gz KFAJZUKINQINCY-UHFFFAOYSA-N 1 1 375.391 3.524 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000507639563 853119168 /nfs/dbraw/zinc/11/91/68/853119168.db2.gz WJUFPIAFIUZLOT-RHSMWYFYSA-N 1 1 385.489 3.882 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000437515807 853216335 /nfs/dbraw/zinc/21/63/35/853216335.db2.gz OHXNYTFNBITFDR-UHFFFAOYSA-N 1 1 387.358 3.557 20 5 GHBDMO Cc1sc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1[N+](=O)[O-] ZINC000518339278 853235552 /nfs/dbraw/zinc/23/55/52/853235552.db2.gz BSMMVZAEWVQCCI-UHFFFAOYSA-N 1 1 386.433 3.514 20 5 GHBDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000439066834 853259041 /nfs/dbraw/zinc/25/90/41/853259041.db2.gz DWBLSNNTZOWRSL-JXFKEZNVSA-N 1 1 383.496 3.739 20 5 GHBDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000439066834 853259044 /nfs/dbraw/zinc/25/90/44/853259044.db2.gz DWBLSNNTZOWRSL-JXFKEZNVSA-N 1 1 383.496 3.739 20 5 GHBDMO COc1cccc([C@H](C)[NH+]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000507728627 853345514 /nfs/dbraw/zinc/34/55/14/853345514.db2.gz YXAUAFHSQFKHBI-SFHVURJKSA-N 1 1 399.491 3.751 20 5 GHBDMO C[N@@H+](CCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Cc1ccccc1 ZINC000437695663 853427508 /nfs/dbraw/zinc/42/75/08/853427508.db2.gz SNPCLCMRIPOUFA-UHFFFAOYSA-N 1 1 396.491 3.791 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163659912 853507215 /nfs/dbraw/zinc/50/72/15/853507215.db2.gz YWEPVAPDCSVKRY-KRWDZBQOSA-N 1 1 388.512 3.923 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000003540502 862479441 /nfs/dbraw/zinc/47/94/41/862479441.db2.gz WDEIZDHWITVCFH-GFCCVEGCSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000003540502 862479454 /nfs/dbraw/zinc/47/94/54/862479454.db2.gz WDEIZDHWITVCFH-GFCCVEGCSA-N 1 1 392.253 3.816 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000518644293 853601582 /nfs/dbraw/zinc/60/15/82/853601582.db2.gz CXPHOJLKGIFRCA-UHFFFAOYSA-N 1 1 396.491 3.577 20 5 GHBDMO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000437853923 853606091 /nfs/dbraw/zinc/60/60/91/853606091.db2.gz TYLRSFCIEYLCCR-PBHICJAKSA-N 1 1 377.460 3.751 20 5 GHBDMO Cn1cc[nH+]c1C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC000587987836 854059614 /nfs/dbraw/zinc/05/96/14/854059614.db2.gz GRVAUZMDLRVGNB-AWEZNQCLSA-N 1 1 380.433 3.729 20 5 GHBDMO C[C@@H]1[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000441301593 854069186 /nfs/dbraw/zinc/06/91/86/854069186.db2.gz HQIHWLSXYQYASA-GDBMZVCRSA-N 1 1 385.489 3.959 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)o1 ZINC000441356140 854127538 /nfs/dbraw/zinc/12/75/38/854127538.db2.gz KXOHQVOBWKUBGS-NRFANRHFSA-N 1 1 380.400 3.615 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000249704331 854326122 /nfs/dbraw/zinc/32/61/22/854326122.db2.gz LSNRSXNNFGKRTF-IXDOHACOSA-N 1 1 397.475 3.695 20 5 GHBDMO C[C@@H](NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000249704331 854326127 /nfs/dbraw/zinc/32/61/27/854326127.db2.gz LSNRSXNNFGKRTF-IXDOHACOSA-N 1 1 397.475 3.695 20 5 GHBDMO CCc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000133471190 862559514 /nfs/dbraw/zinc/55/95/14/862559514.db2.gz RANNOMWKGXEVNX-APWZRJJASA-N 1 1 381.480 3.535 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000589200103 854745504 /nfs/dbraw/zinc/74/55/04/854745504.db2.gz PVYUTMZHYWHDNH-IRXDYDNUSA-N 1 1 384.480 3.634 20 5 GHBDMO CC[N@H+](Cc1ccoc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589252448 854760772 /nfs/dbraw/zinc/76/07/72/854760772.db2.gz PNQIVPMBKKEGLS-UHFFFAOYSA-N 1 1 386.189 3.815 20 5 GHBDMO CC[N@@H+](Cc1ccoc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589252448 854760775 /nfs/dbraw/zinc/76/07/75/854760775.db2.gz PNQIVPMBKKEGLS-UHFFFAOYSA-N 1 1 386.189 3.815 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000589499433 854911495 /nfs/dbraw/zinc/91/14/95/854911495.db2.gz QSTWWAHNXDYVNP-GHTZIAJQSA-N 1 1 398.459 3.981 20 5 GHBDMO Cc1ccc(C[N@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)nc1 ZINC000589513822 854972996 /nfs/dbraw/zinc/97/29/96/854972996.db2.gz ISJDTAGNONPJJA-UHFFFAOYSA-N 1 1 397.216 3.535 20 5 GHBDMO Cc1ccc(C[N@@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)nc1 ZINC000589513822 854973004 /nfs/dbraw/zinc/97/30/04/854973004.db2.gz ISJDTAGNONPJJA-UHFFFAOYSA-N 1 1 397.216 3.535 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589513560 854973265 /nfs/dbraw/zinc/97/32/65/854973265.db2.gz FSUMEXITMYYYRG-OAQYLSRUSA-N 1 1 386.448 3.545 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2C1 ZINC000273061033 855048295 /nfs/dbraw/zinc/04/82/95/855048295.db2.gz SUUGYLZISUGYCO-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2C1 ZINC000273061033 855048302 /nfs/dbraw/zinc/04/83/02/855048302.db2.gz SUUGYLZISUGYCO-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2C1 ZINC000273134737 855062257 /nfs/dbraw/zinc/06/22/57/855062257.db2.gz VMGCWRDDKMHAAV-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2C1 ZINC000273134737 855062266 /nfs/dbraw/zinc/06/22/66/855062266.db2.gz VMGCWRDDKMHAAV-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000589743932 855120301 /nfs/dbraw/zinc/12/03/01/855120301.db2.gz LOZWIDYZFRYNGZ-SXLOBPIMSA-N 1 1 389.496 3.637 20 5 GHBDMO CNC(=O)c1ccc(N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])c1 ZINC000301526385 855199872 /nfs/dbraw/zinc/19/98/72/855199872.db2.gz HYFMAGLVTAYEFW-CYBMUJFWSA-N 1 1 379.420 3.622 20 5 GHBDMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(-n2cc([N+](=O)[O-])cn2)n1 ZINC000301541527 855239324 /nfs/dbraw/zinc/23/93/24/855239324.db2.gz CEBSQNDOLNTMAW-UHFFFAOYSA-N 1 1 380.433 3.514 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000590035771 855244206 /nfs/dbraw/zinc/24/42/06/855244206.db2.gz AWYXFKBPUNWYEJ-GOSISDBHSA-N 1 1 395.503 3.995 20 5 GHBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273409080 855349859 /nfs/dbraw/zinc/34/98/59/855349859.db2.gz HZTVDBUSJVJUIO-APWZRJJASA-N 1 1 387.411 3.525 20 5 GHBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1(C)C ZINC000590348897 855377164 /nfs/dbraw/zinc/37/71/64/855377164.db2.gz DRACCBCRVZMXOI-UHFFFAOYSA-N 1 1 377.510 3.796 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1(C)C ZINC000590348897 855377171 /nfs/dbraw/zinc/37/71/71/855377171.db2.gz DRACCBCRVZMXOI-UHFFFAOYSA-N 1 1 377.510 3.796 20 5 GHBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248411440 855423623 /nfs/dbraw/zinc/42/36/23/855423623.db2.gz ZESOTIJKQSYILP-PKOBYXMFSA-N 1 1 395.463 3.508 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000590575411 855495843 /nfs/dbraw/zinc/49/58/43/855495843.db2.gz YVINFSUKNFMTDY-UHFFFAOYSA-N 1 1 397.903 3.983 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000441530020 855584814 /nfs/dbraw/zinc/58/48/14/855584814.db2.gz PCWIFDOWRKSKNJ-KRWDZBQOSA-N 1 1 386.448 3.698 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000018110815 856084848 /nfs/dbraw/zinc/08/48/48/856084848.db2.gz IWVHXNXZGKVNCU-UHFFFAOYSA-N 1 1 385.489 3.583 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000784012582 856200559 /nfs/dbraw/zinc/20/05/59/856200559.db2.gz SJUTXBSUJSTTJP-FOIQADDNSA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000784012582 856200569 /nfs/dbraw/zinc/20/05/69/856200569.db2.gz SJUTXBSUJSTTJP-FOIQADDNSA-N 1 1 393.447 3.903 20 5 GHBDMO CCOc1ccc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000499436080 856318479 /nfs/dbraw/zinc/31/84/79/856318479.db2.gz NESPOEQNSIBYQU-SJORKVTESA-N 1 1 397.475 3.729 20 5 GHBDMO CCOc1ccc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000499436080 856318490 /nfs/dbraw/zinc/31/84/90/856318490.db2.gz NESPOEQNSIBYQU-SJORKVTESA-N 1 1 397.475 3.729 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000591845764 856344127 /nfs/dbraw/zinc/34/41/27/856344127.db2.gz WKTZADZQGKPMMF-CYBMUJFWSA-N 1 1 399.285 3.769 20 5 GHBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000591845764 856344136 /nfs/dbraw/zinc/34/41/36/856344136.db2.gz WKTZADZQGKPMMF-CYBMUJFWSA-N 1 1 399.285 3.769 20 5 GHBDMO CNC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301437930 856361606 /nfs/dbraw/zinc/36/16/06/856361606.db2.gz SOZNPGDSKCJFCA-KSSFIOAISA-N 1 1 388.493 3.511 20 5 GHBDMO CC(C)Oc1cccc(CNC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429232964 856433377 /nfs/dbraw/zinc/43/33/77/856433377.db2.gz CLMVEQNFMPYBKZ-UHFFFAOYSA-N 1 1 385.464 3.523 20 5 GHBDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457195 856679753 /nfs/dbraw/zinc/67/97/53/856679753.db2.gz MELYQINZJFDECE-HUUCEWRRSA-N 1 1 393.509 3.916 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)cs1 ZINC000592144847 856697316 /nfs/dbraw/zinc/69/73/16/856697316.db2.gz JUPKSOAFAVQCJQ-ZDUSSCGKSA-N 1 1 376.356 3.768 20 5 GHBDMO Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592146436 856702761 /nfs/dbraw/zinc/70/27/61/856702761.db2.gz PXWQOGXBGOWDBS-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592146436 856702769 /nfs/dbraw/zinc/70/27/69/856702769.db2.gz PXWQOGXBGOWDBS-UHFFFAOYSA-N 1 1 388.855 3.802 20 5 GHBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3C)CC[N@H+]2C2CC2)c1 ZINC000245533144 856936518 /nfs/dbraw/zinc/93/65/18/856936518.db2.gz DHLGMJCYJFBENO-SFTDATJTSA-N 1 1 395.459 3.620 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000173595711 857015695 /nfs/dbraw/zinc/01/56/95/857015695.db2.gz XNJYHHIENUSVPW-OAHLLOKOSA-N 1 1 387.505 3.957 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245868624 857185241 /nfs/dbraw/zinc/18/52/41/857185241.db2.gz LSVSBFGASWVMSF-DOTOQJQBSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245868624 857185244 /nfs/dbraw/zinc/18/52/44/857185244.db2.gz LSVSBFGASWVMSF-DOTOQJQBSA-N 1 1 377.803 3.563 20 5 GHBDMO Cc1c(CC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000245963002 857207513 /nfs/dbraw/zinc/20/75/13/857207513.db2.gz SRGSPRHVELSYOB-OXQOHEQNSA-N 1 1 387.505 3.707 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000157732790 857250321 /nfs/dbraw/zinc/25/03/21/857250321.db2.gz RDAYPVZVTNKYTD-QAPCUYQASA-N 1 1 391.537 3.899 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000159653685 862896272 /nfs/dbraw/zinc/89/62/72/862896272.db2.gz QQHIXIZIUINQSQ-HNNXBMFYSA-N 1 1 379.526 3.757 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174932568 857408976 /nfs/dbraw/zinc/40/89/76/857408976.db2.gz TUBAMAYENABQAJ-KRWDZBQOSA-N 1 1 399.516 3.911 20 5 GHBDMO CCc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301721938 857419389 /nfs/dbraw/zinc/41/93/89/857419389.db2.gz RANNOMWKGXEVNX-QFBILLFUSA-N 1 1 381.480 3.535 20 5 GHBDMO CN(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113325751 857429262 /nfs/dbraw/zinc/42/92/62/857429262.db2.gz UFNIUXRGKHTLGU-GOSISDBHSA-N 1 1 396.516 3.981 20 5 GHBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000192953696 857760280 /nfs/dbraw/zinc/76/02/80/857760280.db2.gz WCHDRRWTZMPXEZ-CQSZACIVSA-N 1 1 391.269 3.686 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249966143 857793547 /nfs/dbraw/zinc/79/35/47/857793547.db2.gz KBLDOJDBKBNJHP-HRAATJIYSA-N 1 1 392.459 3.650 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000058949594 857833629 /nfs/dbraw/zinc/83/36/29/857833629.db2.gz VBGDIDKDUHGCQG-KRWDZBQOSA-N 1 1 397.475 3.522 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000521531046 858078448 /nfs/dbraw/zinc/07/84/48/858078448.db2.gz RNEFBDYHSLHSTK-KRWDZBQOSA-N 1 1 396.491 3.555 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159803280 863003995 /nfs/dbraw/zinc/00/39/95/863003995.db2.gz HUAPKGXBXGFCAF-CQSZACIVSA-N 1 1 381.436 3.904 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159803280 863004006 /nfs/dbraw/zinc/00/40/06/863004006.db2.gz HUAPKGXBXGFCAF-CQSZACIVSA-N 1 1 381.436 3.904 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C)cc1O[C@H]1CCOC1 ZINC000595022283 858353946 /nfs/dbraw/zinc/35/39/46/858353946.db2.gz UHTIHKGLAIPEEU-QAPCUYQASA-N 1 1 386.448 3.930 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000131002507 858379106 /nfs/dbraw/zinc/37/91/06/858379106.db2.gz LSVSBFGASWVMSF-WBVHZDCISA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000131002507 858379111 /nfs/dbraw/zinc/37/91/11/858379111.db2.gz LSVSBFGASWVMSF-WBVHZDCISA-N 1 1 377.803 3.563 20 5 GHBDMO CCC[N@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c2C1 ZINC000066968234 858379225 /nfs/dbraw/zinc/37/92/25/858379225.db2.gz IHAVTISNIWFWKB-AWEZNQCLSA-N 1 1 398.463 3.768 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000595050990 858379948 /nfs/dbraw/zinc/37/99/48/858379948.db2.gz WINCQXUOHHZZOK-FXAWDEMLSA-N 1 1 399.491 3.545 20 5 GHBDMO Cc1noc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000595372195 858519089 /nfs/dbraw/zinc/51/90/89/858519089.db2.gz RNKVXLYRIZGYNU-UHFFFAOYSA-N 1 1 396.806 3.534 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000593020623 858542559 /nfs/dbraw/zinc/54/25/59/858542559.db2.gz QJCOWNURUSKSPT-NSHDSACASA-N 1 1 380.347 3.834 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000595785402 858686229 /nfs/dbraw/zinc/68/62/29/858686229.db2.gz FESMTFWGJPKRGL-HNAYVOBHSA-N 1 1 375.469 3.511 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595786960 858687695 /nfs/dbraw/zinc/68/76/95/858687695.db2.gz DIVUKACZQFPSFL-BXWFABGCSA-N 1 1 375.469 3.511 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OC ZINC000482414069 863053768 /nfs/dbraw/zinc/05/37/68/863053768.db2.gz XESQPINEPVVUER-OAQYLSRUSA-N 1 1 384.432 3.634 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OC ZINC000482414069 863053783 /nfs/dbraw/zinc/05/37/83/863053783.db2.gz XESQPINEPVVUER-OAQYLSRUSA-N 1 1 384.432 3.634 20 5 GHBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596128122 858787319 /nfs/dbraw/zinc/78/73/19/858787319.db2.gz DZPIVJFXCUAWSO-CYBMUJFWSA-N 1 1 380.370 3.892 20 5 GHBDMO COc1cc(NCC2([NH+]3CCCCC3)CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596138763 858790228 /nfs/dbraw/zinc/79/02/28/858790228.db2.gz NGCZJLQMNOVCPZ-UHFFFAOYSA-N 1 1 396.919 3.619 20 5 GHBDMO COc1ccc(C[C@H](C)n2ccc(C[NH2+]Cc3ccccc3)n2)c([N+](=O)[O-])c1 ZINC001170353990 881395349 /nfs/dbraw/zinc/39/53/49/881395349.db2.gz GOTHYSQKONZFHA-INIZCTEOSA-N 1 1 380.448 3.893 20 5 GHBDMO COC(=O)[C@H]1CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001170355468 881398746 /nfs/dbraw/zinc/39/87/46/881398746.db2.gz GFFOCCBUHKUCEL-JJXUHFIVSA-N 1 1 398.459 3.771 20 5 GHBDMO O=C(C[N@@H+](CC1CC1)C1CCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483289051 859273607 /nfs/dbraw/zinc/27/36/07/859273607.db2.gz LHKXOFQEDYOJGK-UHFFFAOYSA-N 1 1 386.477 3.921 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000483440153 859376118 /nfs/dbraw/zinc/37/61/18/859376118.db2.gz QDJQZCBJCNDXDV-LJQANCHMSA-N 1 1 394.475 3.559 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000483440153 859376123 /nfs/dbraw/zinc/37/61/23/859376123.db2.gz QDJQZCBJCNDXDV-LJQANCHMSA-N 1 1 394.475 3.559 20 5 GHBDMO COc1cc(C[N@@H+](C)C2(CO)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597252852 859396824 /nfs/dbraw/zinc/39/68/24/859396824.db2.gz AHDIGYTYSSKMGU-UHFFFAOYSA-N 1 1 386.448 3.529 20 5 GHBDMO Cc1ccc(CN2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1[N+](=O)[O-] ZINC000856560570 881440604 /nfs/dbraw/zinc/44/06/04/881440604.db2.gz IYEQYRSATPTDMQ-NRFANRHFSA-N 1 1 398.507 3.792 20 5 GHBDMO Cc1ccc(CN2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1[N+](=O)[O-] ZINC000856560570 881440608 /nfs/dbraw/zinc/44/06/08/881440608.db2.gz IYEQYRSATPTDMQ-NRFANRHFSA-N 1 1 398.507 3.792 20 5 GHBDMO COc1cc(C)c(C[N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)cc1OC ZINC000764861243 859640888 /nfs/dbraw/zinc/64/08/88/859640888.db2.gz SECRKQBDTBCXET-UHFFFAOYSA-N 1 1 384.436 3.668 20 5 GHBDMO COc1cc(C)c(C[N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)cc1OC ZINC000764861243 859640895 /nfs/dbraw/zinc/64/08/95/859640895.db2.gz SECRKQBDTBCXET-UHFFFAOYSA-N 1 1 384.436 3.668 20 5 GHBDMO C[N@H+](Cc1cn[nH]c1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611271915 859675957 /nfs/dbraw/zinc/67/59/57/859675957.db2.gz MSIDRLQKDUUSQP-UHFFFAOYSA-N 1 1 388.431 3.803 20 5 GHBDMO C[N@@H+](Cc1cn[nH]c1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611271915 859675966 /nfs/dbraw/zinc/67/59/66/859675966.db2.gz MSIDRLQKDUUSQP-UHFFFAOYSA-N 1 1 388.431 3.803 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3Cn3cnc4ccccc43)nc2c1 ZINC000611281858 859681034 /nfs/dbraw/zinc/68/10/34/859681034.db2.gz IPOOGDWFGWPKKX-HNNXBMFYSA-N 1 1 377.404 3.750 20 5 GHBDMO C[C@H](c1cccc(Nc2ncnc3cccc([N+](=O)[O-])c32)c1)[NH+]1CCOCC1 ZINC000543435590 859712272 /nfs/dbraw/zinc/71/22/72/859712272.db2.gz KUUYIBLRUWMLKB-CQSZACIVSA-N 1 1 379.420 3.675 20 5 GHBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000611382743 859729739 /nfs/dbraw/zinc/72/97/39/859729739.db2.gz SNDFUTQTGPWUME-GFCCVEGCSA-N 1 1 395.419 3.871 20 5 GHBDMO Cc1oncc1CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000543445173 859740872 /nfs/dbraw/zinc/74/08/72/859740872.db2.gz IHQAWGTWFBYNIO-UHFFFAOYSA-N 1 1 398.488 3.938 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765026804 859750873 /nfs/dbraw/zinc/75/08/73/859750873.db2.gz KUESDKALNRAKLO-MGPUTAFESA-N 1 1 375.469 3.989 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000765238474 859859764 /nfs/dbraw/zinc/85/97/64/859859764.db2.gz DEYBMNPOMOQFNS-ZGAMTSKGSA-N 1 1 379.460 3.635 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000765238464 859860027 /nfs/dbraw/zinc/86/00/27/859860027.db2.gz DEYBMNPOMOQFNS-UGZQKDQTSA-N 1 1 379.460 3.635 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1F ZINC000367267898 859904462 /nfs/dbraw/zinc/90/44/62/859904462.db2.gz UIFXUXARQVCWJU-UHFFFAOYSA-N 1 1 383.221 3.530 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000252736616 860006263 /nfs/dbraw/zinc/00/62/63/860006263.db2.gz YTSUEIQSUKKPLC-HKUYNNGSSA-N 1 1 385.489 3.882 20 5 GHBDMO Cc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000154305554 860058155 /nfs/dbraw/zinc/05/81/55/860058155.db2.gz HXTINETUFXXCII-VQTJNVASSA-N 1 1 389.883 3.718 20 5 GHBDMO COc1ccc2c(c1)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000092507617 860064257 /nfs/dbraw/zinc/06/42/57/860064257.db2.gz CVKMPXICTDRYQJ-UHFFFAOYSA-N 1 1 378.432 3.562 20 5 GHBDMO C[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123854424 860116898 /nfs/dbraw/zinc/11/68/98/860116898.db2.gz ALKYBNXGSSURQE-KDOFPFPSSA-N 1 1 391.830 3.810 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000092783899 860128786 /nfs/dbraw/zinc/12/87/86/860128786.db2.gz LMSLTNKXDHLWOA-NUCSPZLJSA-N 1 1 379.460 3.750 20 5 GHBDMO CN1Cc2ccccc2[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602580455 860143613 /nfs/dbraw/zinc/14/36/13/860143613.db2.gz NXFDXIJTLDCICZ-AWEZNQCLSA-N 1 1 382.283 3.695 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000025458373 860177028 /nfs/dbraw/zinc/17/70/28/860177028.db2.gz AAHDKQJERRJIPP-OAQYLSRUSA-N 1 1 387.439 3.841 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1Br ZINC000602675825 860210923 /nfs/dbraw/zinc/21/09/23/860210923.db2.gz OQVKUWRYOXAUDW-UHTWSYAYSA-N 1 1 375.288 3.544 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1Br ZINC000602675825 860210932 /nfs/dbraw/zinc/21/09/32/860210932.db2.gz OQVKUWRYOXAUDW-UHTWSYAYSA-N 1 1 375.288 3.544 20 5 GHBDMO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000727766950 860213151 /nfs/dbraw/zinc/21/31/51/860213151.db2.gz MHXFSXZGAFVSCJ-OAHLLOKOSA-N 1 1 396.491 3.647 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1Br ZINC000602702059 860220301 /nfs/dbraw/zinc/22/03/01/860220301.db2.gz NIUQNQZTPFYMRI-GWCFXTLKSA-N 1 1 375.288 3.810 20 5 GHBDMO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1Br ZINC000602702059 860220308 /nfs/dbraw/zinc/22/03/08/860220308.db2.gz NIUQNQZTPFYMRI-GWCFXTLKSA-N 1 1 375.288 3.810 20 5 GHBDMO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)S(C)(=O)=O ZINC000093420290 860270048 /nfs/dbraw/zinc/27/00/48/860270048.db2.gz PAFBRZWURFWXQU-QWHCGFSZSA-N 1 1 382.507 3.577 20 5 GHBDMO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)S(C)(=O)=O ZINC000093420290 860270058 /nfs/dbraw/zinc/27/00/58/860270058.db2.gz PAFBRZWURFWXQU-QWHCGFSZSA-N 1 1 382.507 3.577 20 5 GHBDMO COc1cc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000602802949 860288291 /nfs/dbraw/zinc/28/82/91/860288291.db2.gz SPLNZERDDKGKLG-AWEZNQCLSA-N 1 1 376.457 3.613 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093684868 860331749 /nfs/dbraw/zinc/33/17/49/860331749.db2.gz USBXABDALIMGDY-CDVVCGDMSA-N 1 1 399.413 3.731 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000155054279 860380352 /nfs/dbraw/zinc/38/03/52/860380352.db2.gz FAPJTALZHKYNGA-QGZVFWFLSA-N 1 1 398.463 3.509 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598559479 860396741 /nfs/dbraw/zinc/39/67/41/860396741.db2.gz HZLXRIPEGMRBQK-HNNXBMFYSA-N 1 1 377.510 3.559 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000155113202 860405682 /nfs/dbraw/zinc/40/56/82/860405682.db2.gz XTNRWAYBBAKDAX-CQSZACIVSA-N 1 1 391.493 3.522 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1)CC(C)C ZINC000593581182 860464297 /nfs/dbraw/zinc/46/42/97/860464297.db2.gz NLKGKJMAPXHHEX-UHFFFAOYSA-N 1 1 393.503 3.883 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000124752748 860488375 /nfs/dbraw/zinc/48/83/75/860488375.db2.gz VPXOCSCYVNOKJY-MAUKXSAKSA-N 1 1 382.464 3.893 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000603442154 860703462 /nfs/dbraw/zinc/70/34/62/860703462.db2.gz VOEVLNLRJMUUBW-UHFFFAOYSA-N 1 1 383.448 3.812 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000302030817 861180355 /nfs/dbraw/zinc/18/03/55/861180355.db2.gz BWADPHODLORAIE-QGZVFWFLSA-N 1 1 375.856 3.817 20 5 GHBDMO C[C@H](O)CCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000475049500 863135145 /nfs/dbraw/zinc/13/51/45/863135145.db2.gz YZIUNEXVTQBCAO-INIZCTEOSA-N 1 1 389.521 3.602 20 5 GHBDMO CCc1cc(C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])[nH]n1 ZINC000733900698 863331130 /nfs/dbraw/zinc/33/11/30/863331130.db2.gz BPASXEROGGAVJV-UHFFFAOYSA-N 1 1 396.447 3.758 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC[C@@H]21 ZINC000160158764 863380957 /nfs/dbraw/zinc/38/09/57/863380957.db2.gz KZMJXDDNCWCGFF-FZMZJTMJSA-N 1 1 386.374 3.562 20 5 GHBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444092834 863382518 /nfs/dbraw/zinc/38/25/18/863382518.db2.gz GIYHEHDRXWPVQX-UHFFFAOYSA-N 1 1 392.434 3.536 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000593949132 863451013 /nfs/dbraw/zinc/45/10/13/863451013.db2.gz WJOQKEXFBLEWPC-UHFFFAOYSA-N 1 1 384.358 3.737 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000593949132 863451018 /nfs/dbraw/zinc/45/10/18/863451018.db2.gz WJOQKEXFBLEWPC-UHFFFAOYSA-N 1 1 384.358 3.737 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000734843090 864472707 /nfs/dbraw/zinc/47/27/07/864472707.db2.gz GWBDQKWGKBSOGR-HZPDHXFCSA-N 1 1 388.773 3.872 20 5 GHBDMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000137511764 864548554 /nfs/dbraw/zinc/54/85/54/864548554.db2.gz DRXMTCPBSHISHU-KRWDZBQOSA-N 1 1 397.479 3.512 20 5 GHBDMO C[C@@]12CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]1C2(Cl)Cl ZINC000792902007 881788576 /nfs/dbraw/zinc/78/85/76/881788576.db2.gz KPOCPBBNGPAYDB-DZGCQCFKSA-N 1 1 390.242 3.578 20 5 GHBDMO COc1ccc([C@H](NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000554845910 865009592 /nfs/dbraw/zinc/00/95/92/865009592.db2.gz HOVRPJRPICRAGI-JOCHJYFZSA-N 1 1 399.491 3.591 20 5 GHBDMO COc1ccc([C@H](NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000554845910 865009604 /nfs/dbraw/zinc/00/96/04/865009604.db2.gz HOVRPJRPICRAGI-JOCHJYFZSA-N 1 1 399.491 3.591 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)c3cccc(C)c3[N+](=O)[O-])CC[N@H+]2C)cc1 ZINC000735902587 865043753 /nfs/dbraw/zinc/04/37/53/865043753.db2.gz FEFRBNGEJXXNRF-OXQOHEQNSA-N 1 1 384.432 3.762 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000735940798 865063747 /nfs/dbraw/zinc/06/37/47/865063747.db2.gz WDKPKNFHTSOIPD-QGZVFWFLSA-N 1 1 384.432 3.559 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000554875214 865075510 /nfs/dbraw/zinc/07/55/10/865075510.db2.gz VPJXEQWGTVYYBM-MRXNPFEDSA-N 1 1 381.432 3.618 20 5 GHBDMO CC[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@H+]1CCc2ccccc2C1 ZINC000063768885 865325777 /nfs/dbraw/zinc/32/57/77/865325777.db2.gz YAYUFJPDJRPUNB-KRWDZBQOSA-N 1 1 392.459 3.643 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594195123 865342105 /nfs/dbraw/zinc/34/21/05/865342105.db2.gz CFEVLAHXINLBEU-IAGOWNOFSA-N 1 1 377.510 3.842 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](Cc4ccc(F)cc4)C3)n2)c1 ZINC000121308727 865432516 /nfs/dbraw/zinc/43/25/16/865432516.db2.gz FGUFFUMQXFXNFR-HNNXBMFYSA-N 1 1 382.395 3.849 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000063852795 865468812 /nfs/dbraw/zinc/46/88/12/865468812.db2.gz VQXGBKSTJDRPNL-INIZCTEOSA-N 1 1 382.464 3.800 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000252152038 881873641 /nfs/dbraw/zinc/87/36/41/881873641.db2.gz OSCFDLXAQDRILE-QXSJWSMHSA-N 1 1 379.526 3.558 20 5 GHBDMO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594232843 865494514 /nfs/dbraw/zinc/49/45/14/865494514.db2.gz IFHMROBZCZJIOS-AWEZNQCLSA-N 1 1 391.374 3.657 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC000537633000 881930427 /nfs/dbraw/zinc/93/04/27/881930427.db2.gz CGVYCHCZFDOQHJ-CYBMUJFWSA-N 1 1 382.342 3.575 20 5 GHBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)CC2 ZINC000897300175 866028528 /nfs/dbraw/zinc/02/85/28/866028528.db2.gz XGERRWAULBTECV-UHFFFAOYSA-N 1 1 390.242 3.741 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740884505 866074017 /nfs/dbraw/zinc/07/40/17/866074017.db2.gz OTQBTFFKAFHCEO-BLLLJJGKSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740884505 866074026 /nfs/dbraw/zinc/07/40/26/866074026.db2.gz OTQBTFFKAFHCEO-BLLLJJGKSA-N 1 1 383.876 3.983 20 5 GHBDMO COc1ccc(CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)Cc2ccccc2)cc1 ZINC000475526305 866212814 /nfs/dbraw/zinc/21/28/14/866212814.db2.gz AJKLJVQBLLKQDN-UHFFFAOYSA-N 1 1 380.448 3.582 20 5 GHBDMO COc1ccc(CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)Cc2ccccc2)cc1 ZINC000475526305 866212835 /nfs/dbraw/zinc/21/28/35/866212835.db2.gz AJKLJVQBLLKQDN-UHFFFAOYSA-N 1 1 380.448 3.582 20 5 GHBDMO C[N@@H+]1CCc2c(NCc3cccc4c3OC(F)(F)O4)ccc([N+](=O)[O-])c2C1 ZINC001168361011 866479328 /nfs/dbraw/zinc/47/93/28/866479328.db2.gz TZJFGSZUDVGUSK-UHFFFAOYSA-N 1 1 377.347 3.516 20 5 GHBDMO C[N@H+]1CCc2c(NCc3cccc4c3OC(F)(F)O4)ccc([N+](=O)[O-])c2C1 ZINC001168361011 866479330 /nfs/dbraw/zinc/47/93/30/866479330.db2.gz TZJFGSZUDVGUSK-UHFFFAOYSA-N 1 1 377.347 3.516 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C2)nc1 ZINC000440489745 866961582 /nfs/dbraw/zinc/96/15/82/866961582.db2.gz DMCYFFWQKJSUNS-OAHLLOKOSA-N 1 1 399.838 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C2)nc1 ZINC000440489745 866961604 /nfs/dbraw/zinc/96/16/04/866961604.db2.gz DMCYFFWQKJSUNS-OAHLLOKOSA-N 1 1 399.838 3.985 20 5 GHBDMO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000440504387 866998731 /nfs/dbraw/zinc/99/87/31/866998731.db2.gz WOHDJDMDKRUAFZ-GDBMZVCRSA-N 1 1 394.435 3.596 20 5 GHBDMO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000440504387 866998741 /nfs/dbraw/zinc/99/87/41/866998741.db2.gz WOHDJDMDKRUAFZ-GDBMZVCRSA-N 1 1 394.435 3.596 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000553404665 867360990 /nfs/dbraw/zinc/36/09/90/867360990.db2.gz JSBACJLHYFLCJT-UHFFFAOYSA-N 1 1 399.369 3.801 20 5 GHBDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000523705098 867781962 /nfs/dbraw/zinc/78/19/62/867781962.db2.gz AIFIBUJVDMFFOG-JXFKEZNVSA-N 1 1 382.464 3.620 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000553740447 868027928 /nfs/dbraw/zinc/02/79/28/868027928.db2.gz LNSQJFHZVLEYQD-UHFFFAOYSA-N 1 1 391.493 3.894 20 5 GHBDMO COc1cc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc([N+](=O)[O-])c1C ZINC000479648137 868248827 /nfs/dbraw/zinc/24/88/27/868248827.db2.gz IVRRJYTZPSAJSQ-UHFFFAOYSA-N 1 1 389.496 3.640 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000535244801 868423761 /nfs/dbraw/zinc/42/37/61/868423761.db2.gz ALQVGEFYOOWZLE-ZDUSSCGKSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000535244801 868423779 /nfs/dbraw/zinc/42/37/79/868423779.db2.gz ALQVGEFYOOWZLE-ZDUSSCGKSA-N 1 1 397.258 3.700 20 5 GHBDMO C[N@@H+](CCOc1cccc(CNc2ccsc2[N+](=O)[O-])c1)C1CCOCC1 ZINC000609075101 868752708 /nfs/dbraw/zinc/75/27/08/868752708.db2.gz DGYFWCWCWYOUDR-UHFFFAOYSA-N 1 1 391.493 3.758 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029825059 868791383 /nfs/dbraw/zinc/79/13/83/868791383.db2.gz IFIGIIYJNFZTFF-HNNXBMFYSA-N 1 1 394.431 3.863 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029825059 868791389 /nfs/dbraw/zinc/79/13/89/868791389.db2.gz IFIGIIYJNFZTFF-HNNXBMFYSA-N 1 1 394.431 3.863 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000744743452 869062711 /nfs/dbraw/zinc/06/27/11/869062711.db2.gz VFJKONISEQHWNI-DPTHPHEISA-N 1 1 395.459 3.967 20 5 GHBDMO CC1(C)CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000446062783 869330166 /nfs/dbraw/zinc/33/01/66/869330166.db2.gz OVMDHQPBTJFLJW-UHFFFAOYSA-N 1 1 381.476 3.650 20 5 GHBDMO C[N@H+](CCCOc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000029852026 869567123 /nfs/dbraw/zinc/56/71/23/869567123.db2.gz KCVGGMMFHFBMPT-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO C[N@@H+](CCCOc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000029852026 869567127 /nfs/dbraw/zinc/56/71/27/869567127.db2.gz KCVGGMMFHFBMPT-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441043308 869920036 /nfs/dbraw/zinc/92/00/36/869920036.db2.gz HCKMDISNOIXGLE-FOIQADDNSA-N 1 1 383.448 3.556 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1O ZINC000539897530 869985003 /nfs/dbraw/zinc/98/50/03/869985003.db2.gz BBVHUTLUYUMYLM-MEDUHNTESA-N 1 1 395.253 3.820 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC[N@@H+]1Cc1ccccc1 ZINC000476594612 882370726 /nfs/dbraw/zinc/37/07/26/882370726.db2.gz JSDCTAPLAFDJMK-SFHVURJKSA-N 1 1 397.475 3.730 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC[N@H+]1Cc1ccccc1 ZINC000476594612 882370746 /nfs/dbraw/zinc/37/07/46/882370746.db2.gz JSDCTAPLAFDJMK-SFHVURJKSA-N 1 1 397.475 3.730 20 5 GHBDMO COc1cc(CNCC[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525288224 870292189 /nfs/dbraw/zinc/29/21/89/870292189.db2.gz IUNYSJFXWACLQK-QGZVFWFLSA-N 1 1 399.491 3.614 20 5 GHBDMO COc1cc(C[NH2+]CCN2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525288224 870292208 /nfs/dbraw/zinc/29/22/08/870292208.db2.gz IUNYSJFXWACLQK-QGZVFWFLSA-N 1 1 399.491 3.614 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)OCCc2ccsc23)c([N+](=O)[O-])c1 ZINC001192545817 870508662 /nfs/dbraw/zinc/50/86/62/870508662.db2.gz IPRGSYPWDAVQHB-UHFFFAOYSA-N 1 1 389.433 3.629 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000766439344 870768856 /nfs/dbraw/zinc/76/88/56/870768856.db2.gz BOVYMMPMCFYIAA-HOTGVXAUSA-N 1 1 394.475 3.579 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000441188869 870933215 /nfs/dbraw/zinc/93/32/15/870933215.db2.gz MGERAFGZHVBINM-UHFFFAOYSA-N 1 1 395.253 3.877 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000463128666 870946567 /nfs/dbraw/zinc/94/65/67/870946567.db2.gz RLFIRTVSUATESG-KRWDZBQOSA-N 1 1 396.491 3.902 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(CNc3[nH+]cccc3N3CCOCC3)o2)c1 ZINC000463252168 871300724 /nfs/dbraw/zinc/30/07/24/871300724.db2.gz ZPMOKLYNPFSAHD-UHFFFAOYSA-N 1 1 380.404 3.699 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000121340087 871387059 /nfs/dbraw/zinc/38/70/59/871387059.db2.gz NDDYIUAZYGAVJK-FUHWJXTLSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000121340087 871387070 /nfs/dbraw/zinc/38/70/70/871387070.db2.gz NDDYIUAZYGAVJK-FUHWJXTLSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000618469915 871653978 /nfs/dbraw/zinc/65/39/78/871653978.db2.gz OTYGEZFORLMGKZ-VAMGGRTRSA-N 1 1 393.487 3.934 20 5 GHBDMO C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N(C)Cc1ccccc1 ZINC000447529829 871762448 /nfs/dbraw/zinc/76/24/48/871762448.db2.gz LCBHDMGDPJOSMH-MISYRCLQSA-N 1 1 385.512 3.775 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598304 871914248 /nfs/dbraw/zinc/91/42/48/871914248.db2.gz UZNHVHXOEZKTSW-FYYLOGMGSA-N 1 1 395.503 3.853 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598304 871914261 /nfs/dbraw/zinc/91/42/61/871914261.db2.gz UZNHVHXOEZKTSW-FYYLOGMGSA-N 1 1 395.503 3.853 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000447677540 872083558 /nfs/dbraw/zinc/08/35/58/872083558.db2.gz GOOKZGHRNCPADL-KOLCDFICSA-N 1 1 380.317 3.683 20 5 GHBDMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182251109 872104233 /nfs/dbraw/zinc/10/42/33/872104233.db2.gz FSKFVLMVWZAMCA-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000478048716 872423697 /nfs/dbraw/zinc/42/36/97/872423697.db2.gz WEEDVOGRCIGLIB-UHFFFAOYSA-N 1 1 375.469 3.657 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000552349280 872508959 /nfs/dbraw/zinc/50/89/59/872508959.db2.gz FMIZPFGBPUCBOK-QHCPKHFHSA-N 1 1 393.487 3.652 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000619489813 872686486 /nfs/dbraw/zinc/68/64/86/872686486.db2.gz PCBIAPRKLJTUIM-GUDVDZBRSA-N 1 1 383.496 3.832 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]([C@H](C)O)C2)cc1OC ZINC000541059427 872816782 /nfs/dbraw/zinc/81/67/82/872816782.db2.gz GIPXEAYLEHPOFD-JYJNAYRXSA-N 1 1 380.485 3.621 20 5 GHBDMO Cc1c(CC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001127247489 872910682 /nfs/dbraw/zinc/91/06/82/872910682.db2.gz XLNCUKZDHLJVDG-DLBZAZTESA-N 1 1 381.476 3.567 20 5 GHBDMO CC(C)c1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000527386947 873099192 /nfs/dbraw/zinc/09/91/92/873099192.db2.gz QVRVGXBITLDGKW-UHFFFAOYSA-N 1 1 396.491 3.718 20 5 GHBDMO O=C(C[NH+]1CCC2(CCSCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001196685540 873325051 /nfs/dbraw/zinc/32/50/51/873325051.db2.gz XWFMTDGWFGKGRT-UHFFFAOYSA-N 1 1 383.901 3.796 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001196848797 873405617 /nfs/dbraw/zinc/40/56/17/873405617.db2.gz CIGHLLOIACWGFP-INIZCTEOSA-N 1 1 393.484 3.743 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000541392120 873466156 /nfs/dbraw/zinc/46/61/56/873466156.db2.gz FISVWOHPKWNJDH-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000541392120 873466163 /nfs/dbraw/zinc/46/61/63/873466163.db2.gz FISVWOHPKWNJDH-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO C[C@]12CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001196960977 873498665 /nfs/dbraw/zinc/49/86/65/873498665.db2.gz GUJVIRUQIJBLSH-ZRZAMGCNSA-N 1 1 395.503 3.818 20 5 GHBDMO CC1CC[NH+](Cc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000768867952 873631200 /nfs/dbraw/zinc/63/12/00/873631200.db2.gz UIDDJZADKQJUER-UHFFFAOYSA-N 1 1 395.506 3.689 20 5 GHBDMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)nc1 ZINC000858039864 882767954 /nfs/dbraw/zinc/76/79/54/882767954.db2.gz KOFFAUQVYCTEBR-OAHLLOKOSA-N 1 1 381.354 3.970 20 5 GHBDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)nc1 ZINC000858039864 882767957 /nfs/dbraw/zinc/76/79/57/882767957.db2.gz KOFFAUQVYCTEBR-OAHLLOKOSA-N 1 1 381.354 3.970 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000448773292 873948661 /nfs/dbraw/zinc/94/86/61/873948661.db2.gz HCASVWNJBILPMH-QFBILLFUSA-N 1 1 395.459 3.509 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000448775283 873951686 /nfs/dbraw/zinc/95/16/86/873951686.db2.gz QTIKOEKPGHHYOU-UHFFFAOYSA-N 1 1 395.381 3.995 20 5 GHBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000769405501 874026130 /nfs/dbraw/zinc/02/61/30/874026130.db2.gz ZWWGDNREZWJEAA-LLVKDONJSA-N 1 1 389.399 3.541 20 5 GHBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000769405501 874026143 /nfs/dbraw/zinc/02/61/43/874026143.db2.gz ZWWGDNREZWJEAA-LLVKDONJSA-N 1 1 389.399 3.541 20 5 GHBDMO O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000921275005 882796931 /nfs/dbraw/zinc/79/69/31/882796931.db2.gz ZMUNFBMOPYWQKO-IBGZPJMESA-N 1 1 384.505 3.936 20 5 GHBDMO CN(C)c1nccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1 ZINC000541774441 874272165 /nfs/dbraw/zinc/27/21/65/874272165.db2.gz REKWSWCAQUYTQF-UHFFFAOYSA-N 1 1 387.827 3.654 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1cccc(F)c1 ZINC000026257735 874278861 /nfs/dbraw/zinc/27/88/61/874278861.db2.gz DIZHYSPUTSVHOQ-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000475721213 882814518 /nfs/dbraw/zinc/81/45/18/882814518.db2.gz MSLVMQHIODUPFT-INIZCTEOSA-N 1 1 388.420 3.857 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000475721213 882814528 /nfs/dbraw/zinc/81/45/28/882814528.db2.gz MSLVMQHIODUPFT-INIZCTEOSA-N 1 1 388.420 3.857 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c([N+](=O)[O-])cc1F ZINC000464692044 874323671 /nfs/dbraw/zinc/32/36/71/874323671.db2.gz RKAURMWRLFKBDO-OAHLLOKOSA-N 1 1 384.411 3.757 20 5 GHBDMO COC(=O)N1CC([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000769934283 874375675 /nfs/dbraw/zinc/37/56/75/874375675.db2.gz OMXAUVVGQBVMJN-UHFFFAOYSA-N 1 1 391.811 3.581 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000770327291 874601666 /nfs/dbraw/zinc/60/16/66/874601666.db2.gz RZBOTCORUPNSRN-LRDDRELGSA-N 1 1 379.258 3.637 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000770327291 874601673 /nfs/dbraw/zinc/60/16/73/874601673.db2.gz RZBOTCORUPNSRN-LRDDRELGSA-N 1 1 379.258 3.637 20 5 GHBDMO COc1ccc(OCCN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000464842852 874614935 /nfs/dbraw/zinc/61/49/35/874614935.db2.gz MNBFLYOJCOBFSL-GOSISDBHSA-N 1 1 399.491 3.579 20 5 GHBDMO C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000464888635 874721704 /nfs/dbraw/zinc/72/17/04/874721704.db2.gz CBGQBZWMGMTWEJ-SFHVURJKSA-N 1 1 395.503 3.995 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)sc2C1 ZINC000542200509 875135162 /nfs/dbraw/zinc/13/51/62/875135162.db2.gz JXFNATAYXZMEOW-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)sc2C1 ZINC000542200509 875135165 /nfs/dbraw/zinc/13/51/65/875135165.db2.gz JXFNATAYXZMEOW-UHFFFAOYSA-N 1 1 380.857 3.724 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000542232326 875191247 /nfs/dbraw/zinc/19/12/47/875191247.db2.gz YNQOCHUJALTRJZ-FUHWJXTLSA-N 1 1 399.516 3.856 20 5 GHBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)C1 ZINC000465185702 875265721 /nfs/dbraw/zinc/26/57/21/875265721.db2.gz NNUKXRHJFQOMSX-AWEZNQCLSA-N 1 1 387.411 3.707 20 5 GHBDMO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542280515 875293408 /nfs/dbraw/zinc/29/34/08/875293408.db2.gz PILWWNSSGGNJFZ-SFHVURJKSA-N 1 1 390.505 3.630 20 5 GHBDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542280515 875293422 /nfs/dbraw/zinc/29/34/22/875293422.db2.gz PILWWNSSGGNJFZ-SFHVURJKSA-N 1 1 390.505 3.630 20 5 GHBDMO Cc1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000491368184 875626873 /nfs/dbraw/zinc/62/68/73/875626873.db2.gz PLVMRILIQUQTSN-AEFFLSMTSA-N 1 1 382.464 3.935 20 5 GHBDMO CC(C)c1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC001201626841 875802105 /nfs/dbraw/zinc/80/21/05/875802105.db2.gz QEPCOERMNUZHNW-OAQYLSRUSA-N 1 1 397.519 3.965 20 5 GHBDMO CC(C)c1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC001201626841 875802110 /nfs/dbraw/zinc/80/21/10/875802110.db2.gz QEPCOERMNUZHNW-OAQYLSRUSA-N 1 1 397.519 3.965 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000153114993 875914417 /nfs/dbraw/zinc/91/44/17/875914417.db2.gz LZVJNEOYIDYTAY-UHFFFAOYSA-N 1 1 375.856 3.889 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)cc1 ZINC000776273780 876135958 /nfs/dbraw/zinc/13/59/58/876135958.db2.gz AKHWZTQENQFNLO-MJGOQNOKSA-N 1 1 376.840 3.825 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000776275300 876143897 /nfs/dbraw/zinc/14/38/97/876143897.db2.gz CRFIXCASYPYTGO-YJBOKZPZSA-N 1 1 387.505 3.843 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000776275297 876143988 /nfs/dbraw/zinc/14/39/88/876143988.db2.gz CRFIXCASYPYTGO-CRAIPNDOSA-N 1 1 387.505 3.843 20 5 GHBDMO COC(=O)Cc1ccc(NCc2ccccc2C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000450256472 876152560 /nfs/dbraw/zinc/15/25/60/876152560.db2.gz QHKZYZQIEXCPJN-UHFFFAOYSA-N 1 1 385.464 3.763 20 5 GHBDMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000494717259 883009152 /nfs/dbraw/zinc/00/91/52/883009152.db2.gz CBSWPSLMFDWTCT-OCCSQVGLSA-N 1 1 387.436 3.557 20 5 GHBDMO COc1cc(Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)c([N+](=O)[O-])cc1OCC(F)F ZINC000451000029 877208618 /nfs/dbraw/zinc/20/86/18/877208618.db2.gz MXDPSHHCJDJZEK-NWDGAFQWSA-N 1 1 395.406 3.863 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000746659840 877217718 /nfs/dbraw/zinc/21/77/18/877217718.db2.gz ZVNGNTVSZWRNPZ-CQSZACIVSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000746659840 877217737 /nfs/dbraw/zinc/21/77/37/877217737.db2.gz ZVNGNTVSZWRNPZ-CQSZACIVSA-N 1 1 388.855 3.802 20 5 GHBDMO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000610001717 877273496 /nfs/dbraw/zinc/27/34/96/877273496.db2.gz ONHHKIPNTUIOTK-HXUWFJFHSA-N 1 1 384.411 3.568 20 5 GHBDMO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000610001717 877273502 /nfs/dbraw/zinc/27/35/02/877273502.db2.gz ONHHKIPNTUIOTK-HXUWFJFHSA-N 1 1 384.411 3.568 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615283888 877594032 /nfs/dbraw/zinc/59/40/32/877594032.db2.gz RNSCQTFGGUOKQK-OAQYLSRUSA-N 1 1 386.448 3.529 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000787812156 877632128 /nfs/dbraw/zinc/63/21/28/877632128.db2.gz OFEUDANOLNJZKO-UHFFFAOYSA-N 1 1 388.855 3.640 20 5 GHBDMO Cc1oc2nc(C[N@@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)nc(N)c2c1C ZINC000451549669 878125275 /nfs/dbraw/zinc/12/52/75/878125275.db2.gz QBBXXJJYIHKTGS-OAHLLOKOSA-N 1 1 381.436 3.710 20 5 GHBDMO Cc1oc2nc(C[N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)nc(N)c2c1C ZINC000451549669 878125283 /nfs/dbraw/zinc/12/52/83/878125283.db2.gz QBBXXJJYIHKTGS-OAHLLOKOSA-N 1 1 381.436 3.710 20 5 GHBDMO CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000776581739 878200897 /nfs/dbraw/zinc/20/08/97/878200897.db2.gz LOMQHCAXSUUDNB-HSQYWUDLSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000776581739 878200914 /nfs/dbraw/zinc/20/09/14/878200914.db2.gz LOMQHCAXSUUDNB-HSQYWUDLSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000776581739 878200933 /nfs/dbraw/zinc/20/09/33/878200933.db2.gz LOMQHCAXSUUDNB-HSQYWUDLSA-N 1 1 383.492 3.786 20 5 GHBDMO Cc1ccc(CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]2CCCO2)cc1 ZINC000776588660 878292237 /nfs/dbraw/zinc/29/22/37/878292237.db2.gz MYXDQINNPZBCDE-YADHBBJMSA-N 1 1 384.476 3.660 20 5 GHBDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591618 878299009 /nfs/dbraw/zinc/29/90/09/878299009.db2.gz LGKMAIMZPIRQCL-UXHICEINSA-N 1 1 380.448 3.835 20 5 GHBDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000789366539 878903280 /nfs/dbraw/zinc/90/32/80/878903280.db2.gz OWTYOJCQYKKBEU-OAHLLOKOSA-N 1 1 385.420 3.623 20 5 GHBDMO NC(=O)c1ccc(C[NH2+][C@H](COc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538216389 879032452 /nfs/dbraw/zinc/03/24/52/879032452.db2.gz XSBSBRGLGBHHSG-HXUWFJFHSA-N 1 1 391.427 3.604 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000795690555 912410846 /nfs/dbraw/zinc/41/08/46/912410846.db2.gz AQABPFUZQZCKJS-NJDAHSKKSA-N 1 1 392.459 3.715 20 5 GHBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853487712 879057218 /nfs/dbraw/zinc/05/72/18/879057218.db2.gz VEEGDCNCGXIDII-FQEVSTJZSA-N 1 1 391.418 3.606 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)nc1-c1ccccn1 ZINC000853498670 879065343 /nfs/dbraw/zinc/06/53/43/879065343.db2.gz DNXVZPRAYJMEJF-INIZCTEOSA-N 1 1 395.488 3.925 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](CSc3ccccc3)C2)nc1-c1ccccn1 ZINC000853498670 879065361 /nfs/dbraw/zinc/06/53/61/879065361.db2.gz DNXVZPRAYJMEJF-INIZCTEOSA-N 1 1 395.488 3.925 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@@H]([C@H]4CCCCO4)C3)c2c(Cl)c1 ZINC000853571655 879129864 /nfs/dbraw/zinc/12/98/64/879129864.db2.gz MMFJFPXTWUGJDJ-CXAGYDPISA-N 1 1 378.860 3.837 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@@H]([C@H]4CCCCO4)C3)c2c(Cl)c1 ZINC000853571655 879129877 /nfs/dbraw/zinc/12/98/77/879129877.db2.gz MMFJFPXTWUGJDJ-CXAGYDPISA-N 1 1 378.860 3.837 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000069016333 879446891 /nfs/dbraw/zinc/44/68/91/879446891.db2.gz BDGFIMZJDNCNKY-HNNXBMFYSA-N 1 1 388.493 3.998 20 5 GHBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000069016333 879446898 /nfs/dbraw/zinc/44/68/98/879446898.db2.gz BDGFIMZJDNCNKY-HNNXBMFYSA-N 1 1 388.493 3.998 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069089740 879526372 /nfs/dbraw/zinc/52/63/72/879526372.db2.gz KOCADORMUKROIB-CQSZACIVSA-N 1 1 379.420 3.658 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000069089740 879526387 /nfs/dbraw/zinc/52/63/87/879526387.db2.gz KOCADORMUKROIB-CQSZACIVSA-N 1 1 379.420 3.658 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000617402883 879712139 /nfs/dbraw/zinc/71/21/39/879712139.db2.gz KOMDMJNBAJOYSV-UHFFFAOYSA-N 1 1 390.465 3.688 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1 ZINC000452726853 879925211 /nfs/dbraw/zinc/92/52/11/879925211.db2.gz GCMFIZGVFPUFFJ-UHFFFAOYSA-N 1 1 397.475 3.778 20 5 GHBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@H](O)c4cccc([N+](=O)[O-])c4)C3)nc2c1 ZINC000181151126 879929819 /nfs/dbraw/zinc/92/98/19/879929819.db2.gz WCDRTPFZEHKPSJ-UZLBHIALSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@@H]3CCC[N@H+](C[C@H](O)c4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000181151126 879929831 /nfs/dbraw/zinc/92/98/31/879929831.db2.gz WCDRTPFZEHKPSJ-UZLBHIALSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](C[C@H](O)c4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000181151126 879929836 /nfs/dbraw/zinc/92/98/36/879929836.db2.gz WCDRTPFZEHKPSJ-UZLBHIALSA-N 1 1 380.448 3.693 20 5 GHBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000531494343 879965541 /nfs/dbraw/zinc/96/55/41/879965541.db2.gz UHVAXGARMDWYDA-UHFFFAOYSA-N 1 1 396.491 3.594 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000791056809 880180440 /nfs/dbraw/zinc/18/04/40/880180440.db2.gz YAJSDSUDBJRZDB-NRFANRHFSA-N 1 1 385.439 3.684 20 5 GHBDMO C/C(=C/C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000791828951 880736624 /nfs/dbraw/zinc/73/66/24/880736624.db2.gz SBINGJMFXXPKFE-BLMOFCDVSA-N 1 1 379.460 3.636 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000152987528 881287076 /nfs/dbraw/zinc/28/70/76/881287076.db2.gz WXWRJCRICPTKKR-KGLIPLIRSA-N 1 1 377.510 3.698 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(NC[C@H]3CCC[N@H+](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000609384563 883131204 /nfs/dbraw/zinc/13/12/04/883131204.db2.gz PPVXLUZXGDDHEU-MRXNPFEDSA-N 1 1 382.464 3.909 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000609546300 883338968 /nfs/dbraw/zinc/33/89/68/883338968.db2.gz ADPAEMXSCRZHOT-HZPDHXFCSA-N 1 1 376.501 3.856 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000609664357 883508588 /nfs/dbraw/zinc/50/85/88/883508588.db2.gz CRFXKJYVISVONH-MRXNPFEDSA-N 1 1 382.464 3.752 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859382890 883787006 /nfs/dbraw/zinc/78/70/06/883787006.db2.gz WLBSBZQKJKDVMP-GJZGRUSLSA-N 1 1 379.888 3.975 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615982 884135936 /nfs/dbraw/zinc/13/59/36/884135936.db2.gz GMSFRRFGPAYGMM-LYKUJDHUSA-N 1 1 378.354 3.906 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000026224311 884186706 /nfs/dbraw/zinc/18/67/06/884186706.db2.gz IHBDQWVHZUTBBU-UHFFFAOYSA-N 1 1 393.390 3.965 20 5 GHBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000494966518 884302176 /nfs/dbraw/zinc/30/21/76/884302176.db2.gz WFMGRZOAIIKBLL-LJQANCHMSA-N 1 1 394.475 3.516 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000153257763 884308716 /nfs/dbraw/zinc/30/87/16/884308716.db2.gz TWLPFDPKOLSOLD-OAHLLOKOSA-N 1 1 385.464 3.661 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000843796964 884719426 /nfs/dbraw/zinc/71/94/26/884719426.db2.gz XKZNMWUEVCVUNZ-AYHJJNSGSA-N 1 1 397.450 3.968 20 5 GHBDMO CCOc1cc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000619432777 885050345 /nfs/dbraw/zinc/05/03/45/885050345.db2.gz SXXLCINYPWPESI-UHFFFAOYSA-N 1 1 380.448 3.797 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000919195413 885071849 /nfs/dbraw/zinc/07/18/49/885071849.db2.gz GTYNTGPRXQGADQ-LBPRGKRZSA-N 1 1 390.358 3.567 20 5 GHBDMO COc1cccc(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000194883494 885309016 /nfs/dbraw/zinc/30/90/16/885309016.db2.gz FWJHQQGEBDWPID-UHFFFAOYSA-N 1 1 383.448 3.730 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000532573210 886143853 /nfs/dbraw/zinc/14/38/53/886143853.db2.gz DLTFPZMTNYOHIP-ZFWWWQNUSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000532573210 886143863 /nfs/dbraw/zinc/14/38/63/886143863.db2.gz DLTFPZMTNYOHIP-ZFWWWQNUSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000532576470 886156289 /nfs/dbraw/zinc/15/62/89/886156289.db2.gz BJCYEVSQWLENOT-CRAIPNDOSA-N 1 1 383.448 3.668 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000532576470 886156304 /nfs/dbraw/zinc/15/63/04/886156304.db2.gz BJCYEVSQWLENOT-CRAIPNDOSA-N 1 1 383.448 3.668 20 5 GHBDMO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Br)cc1F ZINC000862349978 886308346 /nfs/dbraw/zinc/30/83/46/886308346.db2.gz ZSNURFQUYVTUJI-UHFFFAOYSA-N 1 1 397.248 3.838 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000118959041 886396837 /nfs/dbraw/zinc/39/68/37/886396837.db2.gz SWYLFIXQVBWCFQ-UHFFFAOYSA-N 1 1 384.411 3.722 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556872852 886432293 /nfs/dbraw/zinc/43/22/93/886432293.db2.gz RPCJSVTZMSYDJL-FUHIMQAGSA-N 1 1 399.539 3.764 20 5 GHBDMO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000863301571 887015096 /nfs/dbraw/zinc/01/50/96/887015096.db2.gz FPHCVQVPOTXOFR-XJKSGUPXSA-N 1 1 388.468 3.510 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000863301571 887015109 /nfs/dbraw/zinc/01/51/09/887015109.db2.gz FPHCVQVPOTXOFR-XJKSGUPXSA-N 1 1 388.468 3.510 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(Cl)nc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272399264 887386575 /nfs/dbraw/zinc/38/65/75/887386575.db2.gz JSSBSVXOYCPFGO-UHFFFAOYSA-N 1 1 387.770 3.586 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000322464662 887540299 /nfs/dbraw/zinc/54/02/99/887540299.db2.gz MRRAYJLACZCAAM-BFYDXBDKSA-N 1 1 383.286 3.873 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1Cl ZINC000809791453 887844270 /nfs/dbraw/zinc/84/42/70/887844270.db2.gz ZGUCJNZUDFRUGP-IBGZPJMESA-N 1 1 378.831 3.814 20 5 GHBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[N@H+]1CCc2ccccc2C1 ZINC000809912574 887934364 /nfs/dbraw/zinc/93/43/64/887934364.db2.gz HTJQZYFGPVZHBX-CYBMUJFWSA-N 1 1 388.855 3.817 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809913160 887937964 /nfs/dbraw/zinc/93/79/64/887937964.db2.gz XBUITRXGRRLMGG-CQSZACIVSA-N 1 1 388.855 3.986 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809913160 887937970 /nfs/dbraw/zinc/93/79/70/887937970.db2.gz XBUITRXGRRLMGG-CQSZACIVSA-N 1 1 388.855 3.986 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](CCc2cccs2)CC1 ZINC000809916548 887942371 /nfs/dbraw/zinc/94/23/71/887942371.db2.gz NLTCCQOLIJJKJQ-UHFFFAOYSA-N 1 1 394.884 3.702 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000120260286 888030155 /nfs/dbraw/zinc/03/01/55/888030155.db2.gz HWAKIPZDYRWGCC-ZDUSSCGKSA-N 1 1 390.871 3.773 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000120260286 888030165 /nfs/dbraw/zinc/03/01/65/888030165.db2.gz HWAKIPZDYRWGCC-ZDUSSCGKSA-N 1 1 390.871 3.773 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001168265576 888556531 /nfs/dbraw/zinc/55/65/31/888556531.db2.gz SRRATECVUFVQQT-UGSOOPFHSA-N 1 1 394.313 3.806 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000488060618 888561148 /nfs/dbraw/zinc/56/11/48/888561148.db2.gz XIEVMLWIMFZRCI-XLIONFOSSA-N 1 1 381.476 3.993 20 5 GHBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000810617757 888684112 /nfs/dbraw/zinc/68/41/12/888684112.db2.gz FXECGOHBGWWDEG-LSDHHAIUSA-N 1 1 386.452 3.582 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC001170614041 888801463 /nfs/dbraw/zinc/80/14/63/888801463.db2.gz GSGPWELYGRRZAO-UHFFFAOYSA-N 1 1 397.475 3.649 20 5 GHBDMO C[C@@H]1CCCN(c2ccc(C(=O)O[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000810847188 888938593 /nfs/dbraw/zinc/93/85/93/888938593.db2.gz MWTZXPMYJVGWCJ-BPQIPLTHSA-N 1 1 387.480 3.615 20 5 GHBDMO C/C(=C/C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000810864834 888966461 /nfs/dbraw/zinc/96/64/61/888966461.db2.gz HQUUPUKBENRTQV-PTNGSMBKSA-N 1 1 380.448 3.618 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCCCc1ccccc1 ZINC000532920185 889333551 /nfs/dbraw/zinc/33/35/51/889333551.db2.gz XYMIWRFRFKRFIZ-INIZCTEOSA-N 1 1 385.464 3.885 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000533019807 889566435 /nfs/dbraw/zinc/56/64/35/889566435.db2.gz BTVNLTFZOQJVSB-OAQYLSRUSA-N 1 1 399.491 3.751 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000811484209 889634952 /nfs/dbraw/zinc/63/49/52/889634952.db2.gz RUKLYYAYIDVNKD-UHFFFAOYSA-N 1 1 383.157 3.950 20 5 GHBDMO CC[C@@H](C)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000533056787 889641003 /nfs/dbraw/zinc/64/10/03/889641003.db2.gz DMQSNNSZUBVINQ-OAHLLOKOSA-N 1 1 396.447 3.923 20 5 GHBDMO CC[C@@H](C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000533056787 889641006 /nfs/dbraw/zinc/64/10/06/889641006.db2.gz DMQSNNSZUBVINQ-OAHLLOKOSA-N 1 1 396.447 3.923 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000533215476 890020078 /nfs/dbraw/zinc/02/00/78/890020078.db2.gz ARIKNXBVGOVEFU-UHFFFAOYSA-N 1 1 399.422 3.860 20 5 GHBDMO CC(C)(CNc1ncnc2cccc([N+](=O)[O-])c21)[N@H+]1CCc2ccccc2C1 ZINC001184750943 913413402 /nfs/dbraw/zinc/41/34/02/913413402.db2.gz WMITVZXMGUKZFY-UHFFFAOYSA-N 1 1 377.448 3.787 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H](c2ccccc2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533399167 890412952 /nfs/dbraw/zinc/41/29/52/890412952.db2.gz LYMBZSZFLJBOLQ-INIZCTEOSA-N 1 1 397.431 3.532 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H](c2ccccc2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533399167 890412961 /nfs/dbraw/zinc/41/29/61/890412961.db2.gz LYMBZSZFLJBOLQ-INIZCTEOSA-N 1 1 397.431 3.532 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000455168877 890416028 /nfs/dbraw/zinc/41/60/28/890416028.db2.gz LVYGUWFUOMCVAC-MRXNPFEDSA-N 1 1 398.463 3.589 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000105670600 890499281 /nfs/dbraw/zinc/49/92/81/890499281.db2.gz PZVDSPVUELAWQN-UHFFFAOYSA-N 1 1 397.475 3.892 20 5 GHBDMO COc1cccc([C@H](C)CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813173018 891331235 /nfs/dbraw/zinc/33/12/35/891331235.db2.gz VVEXWGHQUHJELC-IERDGZPVSA-N 1 1 398.459 3.915 20 5 GHBDMO COc1cccc([C@H](C)CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813173018 891331248 /nfs/dbraw/zinc/33/12/48/891331248.db2.gz VVEXWGHQUHJELC-IERDGZPVSA-N 1 1 398.459 3.915 20 5 GHBDMO O=C(Nc1cc[nH+]c(N2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001134221274 892476707 /nfs/dbraw/zinc/47/67/07/892476707.db2.gz QZCWSZHFGDTUQL-UHFFFAOYSA-N 1 1 392.362 3.834 20 5 GHBDMO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000774830836 913676645 /nfs/dbraw/zinc/67/66/45/913676645.db2.gz DNTOFKCQMXWIQU-IBGZPJMESA-N 1 1 389.883 3.720 20 5 GHBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000509684018 892785081 /nfs/dbraw/zinc/78/50/81/892785081.db2.gz JVVFBTRSLCVSFL-HUUCEWRRSA-N 1 1 385.489 3.911 20 5 GHBDMO Cc1cc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn2cc[nH+]c12 ZINC000455623886 892809379 /nfs/dbraw/zinc/80/93/79/892809379.db2.gz MNOSIFCHDCFOSQ-INIZCTEOSA-N 1 1 379.420 3.962 20 5 GHBDMO O=C(N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001134821193 893329420 /nfs/dbraw/zinc/32/94/20/893329420.db2.gz PGSGFLBPRXTJAJ-QYZOEREBSA-N 1 1 379.460 3.625 20 5 GHBDMO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498154672 893426158 /nfs/dbraw/zinc/42/61/58/893426158.db2.gz YLLXXOYNDDVAQA-OXQOHEQNSA-N 1 1 389.521 3.823 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+]Cc2ccc(C3OCCO3)cc2)cc1Br ZINC000877031636 893447604 /nfs/dbraw/zinc/44/76/04/893447604.db2.gz ZVMIJXJPZDZVIQ-UHFFFAOYSA-N 1 1 399.266 3.754 20 5 GHBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C2 ZINC000536661245 893466557 /nfs/dbraw/zinc/46/65/57/893466557.db2.gz NYPJKZWMFURLNM-LJQANCHMSA-N 1 1 389.839 3.610 20 5 GHBDMO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000459478207 893588843 /nfs/dbraw/zinc/58/88/43/893588843.db2.gz KIYKXSRKADCAQL-CQSZACIVSA-N 1 1 375.856 3.763 20 5 GHBDMO COCC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CCCC1 ZINC000877989851 893932069 /nfs/dbraw/zinc/93/20/69/893932069.db2.gz GLJWTHAFYFTRKA-UHFFFAOYSA-N 1 1 380.832 3.689 20 5 GHBDMO CCOC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878105921 894021291 /nfs/dbraw/zinc/02/12/91/894021291.db2.gz COAUHCSWLKWLQF-GFCCVEGCSA-N 1 1 380.832 3.547 20 5 GHBDMO CCOC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878105921 894021308 /nfs/dbraw/zinc/02/13/08/894021308.db2.gz COAUHCSWLKWLQF-GFCCVEGCSA-N 1 1 380.832 3.547 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878122077 894035343 /nfs/dbraw/zinc/03/53/43/894035343.db2.gz WFZBHRDGVMKZTN-CQSZACIVSA-N 1 1 380.404 3.643 20 5 GHBDMO COc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459744382 894171079 /nfs/dbraw/zinc/17/10/79/894171079.db2.gz HYDBSAJJSNXVJI-HNNXBMFYSA-N 1 1 396.447 3.767 20 5 GHBDMO C[C@H](C[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)OC(C)(C)C ZINC000459800950 894213629 /nfs/dbraw/zinc/21/36/29/894213629.db2.gz GDNWHDSOTSYSKO-CQSZACIVSA-N 1 1 389.452 3.702 20 5 GHBDMO CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000563840341 894246588 /nfs/dbraw/zinc/24/65/88/894246588.db2.gz GRATYPKSHLNDQM-CGTJXYLNSA-N 1 1 386.452 3.670 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000935316231 894355475 /nfs/dbraw/zinc/35/54/75/894355475.db2.gz RVAUXWNVXKVPLE-KBPBESRZSA-N 1 1 377.510 3.700 20 5 GHBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc4nsnc4c([N+](=O)[O-])c3)c2C1 ZINC000778390650 894859294 /nfs/dbraw/zinc/85/92/94/894859294.db2.gz CVXDYNDKAVRVLF-UHFFFAOYSA-N 1 1 397.460 3.823 20 5 GHBDMO C[C@@H]1C[C@@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000564526715 895053443 /nfs/dbraw/zinc/05/34/43/895053443.db2.gz FCXXBAJCMOFTRU-RKDXNWHRSA-N 1 1 380.317 3.681 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000816812567 895107181 /nfs/dbraw/zinc/10/71/81/895107181.db2.gz TTWFOHFKXXBDFJ-OAHLLOKOSA-N 1 1 377.828 3.798 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccnn2C)cc1OC ZINC000879684886 895233785 /nfs/dbraw/zinc/23/37/85/895233785.db2.gz BHVLQABFUUNRPM-KGLIPLIRSA-N 1 1 376.457 3.613 20 5 GHBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817380733 895554194 /nfs/dbraw/zinc/55/41/94/895554194.db2.gz INGLPURUNHGGBY-UHFFFAOYSA-N 1 1 384.480 3.859 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000565565196 895726580 /nfs/dbraw/zinc/72/65/80/895726580.db2.gz LWBSZHJCWLJREF-OXFYSEKESA-N 1 1 386.452 3.640 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000565565196 895726595 /nfs/dbraw/zinc/72/65/95/895726595.db2.gz LWBSZHJCWLJREF-OXFYSEKESA-N 1 1 386.452 3.640 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774908408 914004050 /nfs/dbraw/zinc/00/40/50/914004050.db2.gz HEBNJZQBKRWKAY-MRXNPFEDSA-N 1 1 390.484 3.980 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000565814005 895903885 /nfs/dbraw/zinc/90/38/85/895903885.db2.gz VNAFUVFJJUORNK-CXAGYDPISA-N 1 1 384.354 3.990 20 5 GHBDMO CC(C)[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000565882694 895956303 /nfs/dbraw/zinc/95/63/03/895956303.db2.gz CUTSGSBXRGYBCQ-VQTJNVASSA-N 1 1 379.464 3.842 20 5 GHBDMO Cc1ccc(Cn2cc(C[NH2+][C@H]3CCCc4ccccc43)nn2)cc1[N+](=O)[O-] ZINC000881212725 896241248 /nfs/dbraw/zinc/24/12/48/896241248.db2.gz SSEIVBUUGPTYSP-FQEVSTJZSA-N 1 1 377.448 3.710 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC3(CC2)OCCc2ccsc23)c1 ZINC000778578023 897023960 /nfs/dbraw/zinc/02/39/60/897023960.db2.gz PEBBCXUTAZGUKM-UHFFFAOYSA-N 1 1 384.461 3.528 20 5 GHBDMO CCOc1cc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000568123026 897613552 /nfs/dbraw/zinc/61/35/52/897613552.db2.gz CRXLNVMNMPIFQQ-DLBZAZTESA-N 1 1 388.489 3.994 20 5 GHBDMO CCOc1cc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000568123026 897613557 /nfs/dbraw/zinc/61/35/57/897613557.db2.gz CRXLNVMNMPIFQQ-DLBZAZTESA-N 1 1 388.489 3.994 20 5 GHBDMO C[C@H](NC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000568638733 898000373 /nfs/dbraw/zinc/00/03/73/898000373.db2.gz GCNLGLNHXGLULQ-KKSFZXQISA-N 1 1 382.464 3.620 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC[C@@H]4CC4(Cl)Cl)CC3)nc2c1 ZINC000822852178 898675638 /nfs/dbraw/zinc/67/56/38/898675638.db2.gz QFTIJBVRFSBNAJ-GFCCVEGCSA-N 1 1 398.294 3.567 20 5 GHBDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCC2 ZINC000111312832 898796471 /nfs/dbraw/zinc/79/64/71/898796471.db2.gz LTOLGIZLBFYXRI-INIZCTEOSA-N 1 1 375.450 3.736 20 5 GHBDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCC2 ZINC000111312832 898796477 /nfs/dbraw/zinc/79/64/77/898796477.db2.gz LTOLGIZLBFYXRI-INIZCTEOSA-N 1 1 375.450 3.736 20 5 GHBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000569829795 898974204 /nfs/dbraw/zinc/97/42/04/898974204.db2.gz OAKNKECKKUVMMC-HYXAFXHYSA-N 1 1 375.432 3.853 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001136832703 899442999 /nfs/dbraw/zinc/44/29/99/899442999.db2.gz QYIWZSNMCYPCFK-OAHLLOKOSA-N 1 1 391.830 3.782 20 5 GHBDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000332502650 899715946 /nfs/dbraw/zinc/71/59/46/899715946.db2.gz AABSNLCFPMETIQ-UHFFFAOYSA-N 1 1 379.888 3.909 20 5 GHBDMO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc(N2CCCC2)n1 ZINC000289898196 914411066 /nfs/dbraw/zinc/41/10/66/914411066.db2.gz TXOWGZQHPMXCOC-UHFFFAOYSA-N 1 1 392.406 3.790 20 5 GHBDMO Cc1cc(CN2CC[NH+](Cc3cc(=O)oc4ccc5ccccc5c34)CC2)no1 ZINC000050275219 900774047 /nfs/dbraw/zinc/77/40/47/900774047.db2.gz HHWGVIPAWATRAI-UHFFFAOYSA-N 1 1 389.455 3.560 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000574510083 900913665 /nfs/dbraw/zinc/91/36/65/900913665.db2.gz AXGRMIAYSKWZSM-INIZCTEOSA-N 1 1 385.464 3.803 20 5 GHBDMO CC[N@H+](Cc1ccncc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577801781 903211441 /nfs/dbraw/zinc/21/14/41/903211441.db2.gz VJMSYPOHQFPYEA-UHFFFAOYSA-N 1 1 397.216 3.617 20 5 GHBDMO CC[N@@H+](Cc1ccncc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577801781 903211453 /nfs/dbraw/zinc/21/14/53/903211453.db2.gz VJMSYPOHQFPYEA-UHFFFAOYSA-N 1 1 397.216 3.617 20 5 GHBDMO CC(=O)c1ccc(NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c([N+](=O)[O-])c1 ZINC000264705199 903328038 /nfs/dbraw/zinc/32/80/38/903328038.db2.gz FNTNFAOBAWWTIY-UHFFFAOYSA-N 1 1 386.452 3.726 20 5 GHBDMO COc1cccc(C(C)(C)C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000577943920 903373548 /nfs/dbraw/zinc/37/35/48/903373548.db2.gz JMEAFOJGQPQQIA-HXUWFJFHSA-N 1 1 394.475 3.994 20 5 GHBDMO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000847008411 903391611 /nfs/dbraw/zinc/39/16/11/903391611.db2.gz HBYVSKZWIHMATR-UHFFFAOYSA-N 1 1 379.432 3.567 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)s1 ZINC000578898824 904210897 /nfs/dbraw/zinc/21/08/97/904210897.db2.gz GXZLUGCTSDDZSL-AWEZNQCLSA-N 1 1 391.468 3.698 20 5 GHBDMO COc1cc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)c([N+](=O)[O-])cc1F ZINC001171521381 904797957 /nfs/dbraw/zinc/79/79/57/904797957.db2.gz GSOLRFZKLJWRQP-FQEVSTJZSA-N 1 1 388.439 3.906 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@H]1c1ccccc1 ZINC000365786300 921161717 /nfs/dbraw/zinc/16/17/17/921161717.db2.gz NHQOUKVVYKJVSK-JTHBVZDNSA-N 1 1 397.478 3.857 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@H]1c1ccccc1 ZINC000365786300 921161723 /nfs/dbraw/zinc/16/17/23/921161723.db2.gz NHQOUKVVYKJVSK-JTHBVZDNSA-N 1 1 397.478 3.857 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176724748 905921154 /nfs/dbraw/zinc/92/11/54/905921154.db2.gz JXWHPYBBADIETN-UKRRQHHQSA-N 1 1 389.402 3.656 20 5 GHBDMO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921330 905992546 /nfs/dbraw/zinc/99/25/46/905992546.db2.gz OSKIBMGWPDMDON-CTNGQTDRSA-N 1 1 382.460 3.558 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCc3ncnc(C4CC4)c3CC1)CC2 ZINC001172909530 906016458 /nfs/dbraw/zinc/01/64/58/906016458.db2.gz IDNGIGWCUJENKK-SFHVURJKSA-N 1 1 378.476 3.610 20 5 GHBDMO O=C([C@@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)N1CCCCC1 ZINC001172910702 906018159 /nfs/dbraw/zinc/01/81/59/906018159.db2.gz ODBRKYNBODEWGC-UXHICEINSA-N 1 1 385.508 3.567 20 5 GHBDMO COc1cccnc1O[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913072 906023341 /nfs/dbraw/zinc/02/33/41/906023341.db2.gz OPODXBXHDZSRAI-UYAOXDASSA-N 1 1 397.475 3.789 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCc4ccsc4C3)CC2)c(F)c1 ZINC001173017857 906095245 /nfs/dbraw/zinc/09/52/45/906095245.db2.gz KNNHSJKSGXCWEE-UHFFFAOYSA-N 1 1 379.432 3.962 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1F ZINC001173182411 906263396 /nfs/dbraw/zinc/26/33/96/906263396.db2.gz RPNUEGQSROGZOT-BMIGLBTASA-N 1 1 382.329 3.897 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c1F ZINC001173190738 906271167 /nfs/dbraw/zinc/27/11/67/906271167.db2.gz WKWKQXSQJFTYBG-NJAFHUGGSA-N 1 1 399.466 3.632 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)CC[N@@H+](C)Cc2ccccc2)c1F ZINC001173191373 906272803 /nfs/dbraw/zinc/27/28/03/906272803.db2.gz CUNANNSCTIBHRH-MRXNPFEDSA-N 1 1 389.471 3.737 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CCN(C)Cc2ccccc2)c1F ZINC001173191373 906272818 /nfs/dbraw/zinc/27/28/18/906272818.db2.gz CUNANNSCTIBHRH-MRXNPFEDSA-N 1 1 389.471 3.737 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CCN(C)Cc2ccccc2)c1F ZINC001173191373 906272834 /nfs/dbraw/zinc/27/28/34/906272834.db2.gz CUNANNSCTIBHRH-MRXNPFEDSA-N 1 1 389.471 3.737 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001173223066 906300983 /nfs/dbraw/zinc/30/09/83/906300983.db2.gz XASKWRJHZYDQGS-JCGIZDLHSA-N 1 1 375.469 3.610 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cnn(CC3CC3)c21 ZINC001173223223 906302980 /nfs/dbraw/zinc/30/29/80/906302980.db2.gz AHDCJDCUHRPOAL-UZLBHIALSA-N 1 1 398.507 3.768 20 5 GHBDMO Cc1cccc(N2C[C@]3(CC[N@H+]([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C3)CC2=O)c1 ZINC001173223791 906306084 /nfs/dbraw/zinc/30/60/84/906306084.db2.gz CRPNZWXZOFGVGX-FDDCHVKYSA-N 1 1 393.487 3.963 20 5 GHBDMO CCC[NH+](CCC)CCCN1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173231183 906315985 /nfs/dbraw/zinc/31/59/85/906315985.db2.gz KHRFXDHFVCRWTE-FQEVSTJZSA-N 1 1 390.572 3.656 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173233779 906321026 /nfs/dbraw/zinc/32/10/26/906321026.db2.gz YJJMETZUQGYEAR-OAHLLOKOSA-N 1 1 387.867 3.637 20 5 GHBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179768749 906589369 /nfs/dbraw/zinc/58/93/69/906589369.db2.gz LBIONAZUDPKQDD-LBPRGKRZSA-N 1 1 380.404 3.935 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000365974958 921272499 /nfs/dbraw/zinc/27/24/99/921272499.db2.gz IYUVCKUIALBQBF-MSOLQXFVSA-N 1 1 395.459 3.530 20 5 GHBDMO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000191450361 907015452 /nfs/dbraw/zinc/01/54/52/907015452.db2.gz SDNBOIAAVVRHAA-INIZCTEOSA-N 1 1 375.450 3.608 20 5 GHBDMO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000191450361 907015469 /nfs/dbraw/zinc/01/54/69/907015469.db2.gz SDNBOIAAVVRHAA-INIZCTEOSA-N 1 1 375.450 3.608 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299304876 921286273 /nfs/dbraw/zinc/28/62/73/921286273.db2.gz DQURQHYMWJDCOM-GOSISDBHSA-N 1 1 394.431 3.861 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)CCCO)cc1 ZINC001175121821 907391400 /nfs/dbraw/zinc/39/14/00/907391400.db2.gz XMEHDIMMTXPIIY-HNNXBMFYSA-N 1 1 376.428 3.906 20 5 GHBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001175348654 907486786 /nfs/dbraw/zinc/48/67/86/907486786.db2.gz AOGWNEDXDNSOTF-INIZCTEOSA-N 1 1 385.247 3.773 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001175312322 907496268 /nfs/dbraw/zinc/49/62/68/907496268.db2.gz PDMQALXFAOPVGD-OPNNQBFTSA-N 1 1 395.459 3.666 20 5 GHBDMO C[C@](CO)([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001175323324 907501882 /nfs/dbraw/zinc/50/18/82/907501882.db2.gz LIXMHHXOGUSMSI-MRXNPFEDSA-N 1 1 399.325 3.519 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000773692412 908658896 /nfs/dbraw/zinc/65/88/96/908658896.db2.gz DOBKQSMJLJEXAI-ILXRZTDVSA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000773692412 908658904 /nfs/dbraw/zinc/65/89/04/908658904.db2.gz DOBKQSMJLJEXAI-ILXRZTDVSA-N 1 1 395.887 3.714 20 5 GHBDMO C[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC001177804414 908764447 /nfs/dbraw/zinc/76/44/47/908764447.db2.gz OGBKAMHUFOZOSQ-SNVBAGLBSA-N 1 1 393.241 3.699 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000192596538 908802852 /nfs/dbraw/zinc/80/28/52/908802852.db2.gz WRUVAXGCBCIUOE-FUHWJXTLSA-N 1 1 397.475 3.729 20 5 GHBDMO Cc1ccc([C@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)cc1[N+](=O)[O-] ZINC000268716917 909985388 /nfs/dbraw/zinc/98/53/88/909985388.db2.gz GYOKHKBYEODDAX-NSHDSACASA-N 1 1 379.342 3.816 20 5 GHBDMO COc1ccc(C[NH2+][C@H](C)c2cc(Br)ncc2F)cc1[N+](=O)[O-] ZINC000273911170 911102483 /nfs/dbraw/zinc/10/24/83/911102483.db2.gz XQEPXEBXWLXGLK-SECBINFHSA-N 1 1 384.205 3.751 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000274216902 911265069 /nfs/dbraw/zinc/26/50/69/911265069.db2.gz JBNWCHPSHYUTLZ-CEWLAPEOSA-N 1 1 392.459 3.928 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000774270066 911597281 /nfs/dbraw/zinc/59/72/81/911597281.db2.gz CDTRXXSPCAMWEU-IBGZPJMESA-N 1 1 384.505 3.792 20 5 GHBDMO CC(C)(CCc1noc([C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)n1)[N+](=O)[O-] ZINC000291076022 914958937 /nfs/dbraw/zinc/95/89/37/914958937.db2.gz MNXGPOIPZBAWBR-HNNXBMFYSA-N 1 1 394.422 3.682 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000303871439 915209583 /nfs/dbraw/zinc/20/95/83/915209583.db2.gz HWTYISZBTDOUIZ-UHFFFAOYSA-N 1 1 380.347 3.599 20 5 GHBDMO COc1ccc([C@@H](O)C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000291751431 915348960 /nfs/dbraw/zinc/34/89/60/915348960.db2.gz KNPYTFNMPTZLBS-OAQYLSRUSA-N 1 1 397.431 3.690 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccn(C(F)F)n1 ZINC001189452263 916655781 /nfs/dbraw/zinc/65/57/81/916655781.db2.gz ADZYJRGEWCMRLQ-UHFFFAOYSA-N 1 1 397.385 3.535 20 5 GHBDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001191212902 917826956 /nfs/dbraw/zinc/82/69/56/917826956.db2.gz DSTNMJUVZPWFJC-SLFFLAALSA-N 1 1 384.476 3.911 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC001275869566 919027764 /nfs/dbraw/zinc/02/77/64/919027764.db2.gz SJXNOFIFHJKKHG-OAHLLOKOSA-N 1 1 387.867 3.903 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC001275869566 919027789 /nfs/dbraw/zinc/02/77/89/919027789.db2.gz SJXNOFIFHJKKHG-OAHLLOKOSA-N 1 1 387.867 3.903 20 5 GHBDMO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114197940 919385215 /nfs/dbraw/zinc/38/52/15/919385215.db2.gz QFBLQGSCPRHSAZ-UHFFFAOYSA-N 1 1 383.496 3.883 20 5 GHBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116103675 919498137 /nfs/dbraw/zinc/49/81/37/919498137.db2.gz WIFCWVMHRKHSTQ-GOSISDBHSA-N 1 1 391.830 3.954 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000117438700 919542364 /nfs/dbraw/zinc/54/23/64/919542364.db2.gz GPBPSFAXKKTLRP-SFHVURJKSA-N 1 1 375.469 3.977 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000119835428 919659945 /nfs/dbraw/zinc/65/99/45/919659945.db2.gz VJMJADRJQFMKHU-IBGZPJMESA-N 1 1 396.491 3.898 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000298762440 920896983 /nfs/dbraw/zinc/89/69/83/920896983.db2.gz DDODHXHYMZYCHO-INIZCTEOSA-N 1 1 393.447 3.918 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368626359 922780689 /nfs/dbraw/zinc/78/06/89/922780689.db2.gz SPMGEOSXMOHSCJ-HIFRSBDPSA-N 1 1 388.855 3.535 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368626359 922780702 /nfs/dbraw/zinc/78/07/02/922780702.db2.gz SPMGEOSXMOHSCJ-HIFRSBDPSA-N 1 1 388.855 3.535 20 5 GHBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000803536092 923074314 /nfs/dbraw/zinc/07/43/14/923074314.db2.gz IBNYRNRXYOIFFH-JXOZOUPFSA-N 1 1 391.471 3.733 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000410548345 925727194 /nfs/dbraw/zinc/72/71/94/925727194.db2.gz QVSQCEMRFIJLAK-YLJYHZDGSA-N 1 1 395.503 3.899 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1F ZINC000827714414 925935688 /nfs/dbraw/zinc/93/56/88/925935688.db2.gz CMVHAMYJJIKMTC-CABCVRRESA-N 1 1 395.450 3.908 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000411140394 926116634 /nfs/dbraw/zinc/11/66/34/926116634.db2.gz ZYHRPKOTGTUVHC-SFHVURJKSA-N 1 1 387.411 3.908 20 5 GHBDMO CC(C)Oc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000411142479 926122613 /nfs/dbraw/zinc/12/26/13/926122613.db2.gz WYYYBFYUUBQLNC-QGZVFWFLSA-N 1 1 387.436 3.542 20 5 GHBDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000411153115 926138625 /nfs/dbraw/zinc/13/86/25/926138625.db2.gz IUIZIZQPXJKMIC-LJQANCHMSA-N 1 1 399.447 3.778 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000411294541 926280281 /nfs/dbraw/zinc/28/02/81/926280281.db2.gz IFDMOTJZAFAXFP-KBXCAEBGSA-N 1 1 387.436 3.998 20 5 GHBDMO O=C(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)c(F)c1 ZINC000726605519 926758443 /nfs/dbraw/zinc/75/84/43/926758443.db2.gz QVUNRARAEFPKGL-UHFFFAOYSA-N 1 1 387.342 3.861 20 5 GHBDMO COc1ccc(C[N@@H+](C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000749479680 927127170 /nfs/dbraw/zinc/12/71/70/927127170.db2.gz HJRKNHVSCIWEGB-INIZCTEOSA-N 1 1 391.468 3.577 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CCCc3c2cnn3CCO)c2ccccc2)c1 ZINC000374917423 927698017 /nfs/dbraw/zinc/69/80/17/927698017.db2.gz YEJXVFNHTZDINZ-UNMCSNQZSA-N 1 1 392.459 3.540 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000751959133 928512048 /nfs/dbraw/zinc/51/20/48/928512048.db2.gz LFDRFSALFBCNKH-FQEVSTJZSA-N 1 1 380.448 3.626 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000751959133 928512055 /nfs/dbraw/zinc/51/20/55/928512055.db2.gz LFDRFSALFBCNKH-FQEVSTJZSA-N 1 1 380.448 3.626 20 5 GHBDMO Cc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000544071349 928766441 /nfs/dbraw/zinc/76/64/41/928766441.db2.gz CQAMBFAUZNPNGJ-FQEVSTJZSA-N 1 1 388.489 3.822 20 5 GHBDMO Cc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000544071349 928766444 /nfs/dbraw/zinc/76/64/44/928766444.db2.gz CQAMBFAUZNPNGJ-FQEVSTJZSA-N 1 1 388.489 3.822 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000544088254 928791688 /nfs/dbraw/zinc/79/16/88/928791688.db2.gz GYVMZBXRGZMDFL-OAHLLOKOSA-N 1 1 391.880 3.643 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000544088254 928791694 /nfs/dbraw/zinc/79/16/94/928791694.db2.gz GYVMZBXRGZMDFL-OAHLLOKOSA-N 1 1 391.880 3.643 20 5 GHBDMO Cc1cc(C)cc(C2=CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000544129175 928843662 /nfs/dbraw/zinc/84/36/62/928843662.db2.gz VASFPOVKTVEFEY-HXUWFJFHSA-N 1 1 382.460 3.741 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000544191709 928913860 /nfs/dbraw/zinc/91/38/60/928913860.db2.gz QHTGQAOGIIYIMQ-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO CCOc1ccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000753914349 929590539 /nfs/dbraw/zinc/59/05/39/929590539.db2.gz CTCVFHVKDNFZFN-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469451401 929904992 /nfs/dbraw/zinc/90/49/92/929904992.db2.gz AVCJBGXZXBCQMS-CQSZACIVSA-N 1 1 389.402 4.000 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC[N@@H+]1C ZINC000758286476 930002034 /nfs/dbraw/zinc/00/20/34/930002034.db2.gz UOCBXRYRLPPZBE-CQSZACIVSA-N 1 1 377.510 3.653 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC[N@H+]1C ZINC000758286476 930002039 /nfs/dbraw/zinc/00/20/39/930002039.db2.gz UOCBXRYRLPPZBE-CQSZACIVSA-N 1 1 377.510 3.653 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758336263 930014243 /nfs/dbraw/zinc/01/42/43/930014243.db2.gz TZQFRQJNDZHCRP-HNAYVOBHSA-N 1 1 384.411 3.882 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000758779363 930164649 /nfs/dbraw/zinc/16/46/49/930164649.db2.gz IMEGFGUXSDFPHM-ZBFHGGJFSA-N 1 1 393.484 3.729 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](N(C)Cc2noc(C)n2)CC1 ZINC000470216340 930459158 /nfs/dbraw/zinc/45/91/58/930459158.db2.gz RKTGFVUUVPUAPC-APEZIOSESA-N 1 1 399.495 3.676 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000547275177 930872083 /nfs/dbraw/zinc/87/20/83/930872083.db2.gz OQBVOFOVQVMHCI-UHFFFAOYSA-N 1 1 379.476 3.590 20 5 GHBDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000782183346 931111265 /nfs/dbraw/zinc/11/12/65/931111265.db2.gz KFXDIYYRRTVQDP-AWEZNQCLSA-N 1 1 385.420 3.753 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000471039637 931111695 /nfs/dbraw/zinc/11/16/95/931111695.db2.gz PXERDPYYLCTJDZ-LJQANCHMSA-N 1 1 397.475 3.604 20 5 GHBDMO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000557096738 931209427 /nfs/dbraw/zinc/20/94/27/931209427.db2.gz CCQZUTPGLJFGAJ-OAHLLOKOSA-N 1 1 382.420 3.523 20 5 GHBDMO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000557096738 931209437 /nfs/dbraw/zinc/20/94/37/931209437.db2.gz CCQZUTPGLJFGAJ-OAHLLOKOSA-N 1 1 382.420 3.523 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(Cl)c(F)c1 ZINC000782524602 931256469 /nfs/dbraw/zinc/25/64/69/931256469.db2.gz OKXFSGZXMICPSN-UHFFFAOYSA-N 1 1 383.782 3.987 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000783566029 931583800 /nfs/dbraw/zinc/58/38/00/931583800.db2.gz CRCLLEAZDIKRFB-IUODEOHRSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000783566029 931583804 /nfs/dbraw/zinc/58/38/04/931583804.db2.gz CRCLLEAZDIKRFB-IUODEOHRSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC000557837176 931714283 /nfs/dbraw/zinc/71/42/83/931714283.db2.gz GDIDOUGKFUFISV-LBPRGKRZSA-N 1 1 385.386 3.560 20 5 GHBDMO C/C(=C\C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000783928945 931720752 /nfs/dbraw/zinc/72/07/52/931720752.db2.gz VFUIUXTYPOTNHW-QRKDJSQXSA-N 1 1 379.460 3.950 20 5 GHBDMO C/C(=C\C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000783928946 931720892 /nfs/dbraw/zinc/72/08/92/931720892.db2.gz VFUIUXTYPOTNHW-VCYKGMCDSA-N 1 1 379.460 3.950 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000784506642 931917198 /nfs/dbraw/zinc/91/71/98/931917198.db2.gz GYEBZJYPHWUOMY-CGTJXYLNSA-N 1 1 375.469 3.720 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000796674019 932025197 /nfs/dbraw/zinc/02/51/97/932025197.db2.gz DMJVWZMEDPYLBK-UHFFFAOYSA-N 1 1 396.285 3.904 20 5 GHBDMO CN(CCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1)Cc1ccco1 ZINC000796674019 932025205 /nfs/dbraw/zinc/02/52/05/932025205.db2.gz DMJVWZMEDPYLBK-UHFFFAOYSA-N 1 1 396.285 3.904 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1)Cc1ccco1 ZINC000796674019 932025215 /nfs/dbraw/zinc/02/52/15/932025215.db2.gz DMJVWZMEDPYLBK-UHFFFAOYSA-N 1 1 396.285 3.904 20 5 GHBDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000558745947 932207991 /nfs/dbraw/zinc/20/79/91/932207991.db2.gz OOTSQPFJUNQICW-UHFFFAOYSA-N 1 1 378.469 3.937 20 5 GHBDMO Cc1c(CC(=O)O[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000797252090 932233825 /nfs/dbraw/zinc/23/38/25/932233825.db2.gz UWZVMUIWEBADFK-FXAWDEMLSA-N 1 1 382.460 3.900 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CC[N@@H+]2C2CCOCC2)c2ccccc2)c1 ZINC000927104567 932413681 /nfs/dbraw/zinc/41/36/81/932413681.db2.gz NMTUNLKKOZFKAJ-FCHUYYIVSA-N 1 1 381.476 3.527 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CC[N@H+]2C2CCOCC2)c2ccccc2)c1 ZINC000927104567 932413688 /nfs/dbraw/zinc/41/36/88/932413688.db2.gz NMTUNLKKOZFKAJ-FCHUYYIVSA-N 1 1 381.476 3.527 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000927113535 932417596 /nfs/dbraw/zinc/41/75/96/932417596.db2.gz ZUWAUVIEZFLAJP-NHCUHLMSSA-N 1 1 392.459 3.711 20 5 GHBDMO Cc1c(NC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000798479347 932662949 /nfs/dbraw/zinc/66/29/49/932662949.db2.gz OJPYCJYVZYVMOG-OAQYLSRUSA-N 1 1 382.464 3.937 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560541668 933328582 /nfs/dbraw/zinc/32/85/82/933328582.db2.gz RZFZJTMSGWZEQX-IBGZPJMESA-N 1 1 383.492 3.947 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000561315216 934045581 /nfs/dbraw/zinc/04/55/81/934045581.db2.gz NOZRUTQPSGTANT-GOSISDBHSA-N 1 1 390.365 3.667 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000561316077 934046486 /nfs/dbraw/zinc/04/64/86/934046486.db2.gz WEXCSBIFWMYBFM-FQEVSTJZSA-N 1 1 376.416 3.996 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@](O)(c4ccccc4)C3)co2)cc1 ZINC001118845766 934262012 /nfs/dbraw/zinc/26/20/12/934262012.db2.gz UQHDIJBDQDIRDT-OAQYLSRUSA-N 1 1 379.416 3.733 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@H](COCc4ccccc4)C3)c2)c1 ZINC000777956323 934382635 /nfs/dbraw/zinc/38/26/35/934382635.db2.gz FGMUBKLOOALGTI-IBGZPJMESA-N 1 1 392.459 3.955 20 5 GHBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000562216944 934765120 /nfs/dbraw/zinc/76/51/20/934765120.db2.gz ABUWXWXPBSCEPW-LLVKDONJSA-N 1 1 386.290 3.516 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@H]1c1ccc(F)cc1 ZINC001137563855 935588639 /nfs/dbraw/zinc/58/86/39/935588639.db2.gz AKZROMWKFUWOQH-WOJBJXKFSA-N 1 1 397.450 3.717 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@H]1c1ccc(F)cc1 ZINC001137563855 935588642 /nfs/dbraw/zinc/58/86/42/935588642.db2.gz AKZROMWKFUWOQH-WOJBJXKFSA-N 1 1 397.450 3.717 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1F ZINC000830010705 935890097 /nfs/dbraw/zinc/89/00/97/935890097.db2.gz YSBHVEUARKCNRH-ZFWWWQNUSA-N 1 1 389.402 3.574 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC001226789472 1032129682 /nfs/dbraw/zinc/12/96/82/1032129682.db2.gz TZDOAGQNVWSEIT-GXTWGEPZSA-N 1 1 392.253 3.967 20 5 GHBDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000468944887 1016255121 /nfs/dbraw/zinc/25/51/21/1016255121.db2.gz LDDXEQLCIRRDPR-MRXNPFEDSA-N 1 1 399.447 3.605 20 5 GHBDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000469117741 1016512624 /nfs/dbraw/zinc/51/26/24/1016512624.db2.gz YCFBFJAHWLSODN-QGZVFWFLSA-N 1 1 385.464 3.885 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094427 1032267939 /nfs/dbraw/zinc/26/79/39/1032267939.db2.gz AZELEEWCSJTAPR-IFXJQAMLSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094427 1032267946 /nfs/dbraw/zinc/26/79/46/1032267946.db2.gz AZELEEWCSJTAPR-IFXJQAMLSA-N 1 1 394.431 3.533 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001227122637 1032279027 /nfs/dbraw/zinc/27/90/27/1032279027.db2.gz SECIYHXWYPPJQM-BEFAXECRSA-N 1 1 384.432 3.671 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001155091411 1032409939 /nfs/dbraw/zinc/40/99/39/1032409939.db2.gz KNDICOMCVNMHNQ-HNNXBMFYSA-N 1 1 379.247 3.716 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001155091411 1032409941 /nfs/dbraw/zinc/40/99/41/1032409941.db2.gz KNDICOMCVNMHNQ-HNNXBMFYSA-N 1 1 379.247 3.716 20 5 GHBDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC001155366618 1032521635 /nfs/dbraw/zinc/52/16/35/1032521635.db2.gz BRPFHAQHKPUORW-UHFFFAOYSA-N 1 1 394.431 3.686 20 5 GHBDMO CO[C@H](C[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1)c1ccccc1 ZINC001155713840 1032657021 /nfs/dbraw/zinc/65/70/21/1032657021.db2.gz ARSGTZBKJRCHAN-OAQYLSRUSA-N 1 1 392.459 3.653 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000777969363 1017938634 /nfs/dbraw/zinc/93/86/34/1017938634.db2.gz ISKYYQHAPORDCO-AWEZNQCLSA-N 1 1 385.395 3.869 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000777969363 1017938637 /nfs/dbraw/zinc/93/86/37/1017938637.db2.gz ISKYYQHAPORDCO-AWEZNQCLSA-N 1 1 385.395 3.869 20 5 GHBDMO Cc1nc(CC2CC[NH+](Cc3cccc([N+](=O)[O-])c3Br)CC2)no1 ZINC000932241727 1018155911 /nfs/dbraw/zinc/15/59/11/1018155911.db2.gz LJMKSILJEYIEAL-UHFFFAOYSA-N 1 1 395.257 3.503 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000935339464 1018988728 /nfs/dbraw/zinc/98/87/28/1018988728.db2.gz FHJSSXZDKXTEPJ-UHFFFAOYSA-N 1 1 392.506 3.792 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000935339464 1018988737 /nfs/dbraw/zinc/98/87/37/1018988737.db2.gz FHJSSXZDKXTEPJ-UHFFFAOYSA-N 1 1 392.506 3.792 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c2ccccc2)c1 ZINC000779057482 1020342444 /nfs/dbraw/zinc/34/24/44/1020342444.db2.gz BIRXYMIIKRLXTR-XZOQPEGZSA-N 1 1 395.503 3.917 20 5 GHBDMO COc1cccc(OC)c1OCCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000579034717 1020382388 /nfs/dbraw/zinc/38/23/88/1020382388.db2.gz OTMPHXWQMRLEDX-UHFFFAOYSA-N 1 1 386.448 3.829 20 5 GHBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000191493267 1020772775 /nfs/dbraw/zinc/77/27/75/1020772775.db2.gz RATIPSKBYNDLCO-HXUWFJFHSA-N 1 1 395.459 3.982 20 5 GHBDMO C[N@@H+](C[C@H]1CC=CCC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795451642 1021069511 /nfs/dbraw/zinc/06/95/11/1021069511.db2.gz QKXXXOXEHZRSEM-LBPRGKRZSA-N 1 1 394.269 3.559 20 5 GHBDMO C[N@@H+](C[C@@H]1CC=CCC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795451640 1021069852 /nfs/dbraw/zinc/06/98/52/1021069852.db2.gz QKXXXOXEHZRSEM-GFCCVEGCSA-N 1 1 394.269 3.559 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000754993851 1023006445 /nfs/dbraw/zinc/00/64/45/1023006445.db2.gz RXDIVLHFVJHVME-INIZCTEOSA-N 1 1 393.484 3.730 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000836782132 1023363080 /nfs/dbraw/zinc/36/30/80/1023363080.db2.gz WTHQGDNMVJMVTH-KBPBESRZSA-N 1 1 379.888 3.939 20 5 GHBDMO COc1ccc(CC(=O)O[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000755874754 1023413743 /nfs/dbraw/zinc/41/37/43/1023413743.db2.gz SRFHWVUTHMKFEP-QFBILLFUSA-N 1 1 398.459 3.600 20 5 GHBDMO O=C(CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000831538351 1024626778 /nfs/dbraw/zinc/62/67/78/1024626778.db2.gz BBACTFVKSPYZDE-INIZCTEOSA-N 1 1 398.419 3.711 20 5 GHBDMO COC(=O)c1c(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC001229049715 1033249829 /nfs/dbraw/zinc/24/98/29/1033249829.db2.gz IYNQHOIRRTXOLM-AWEZNQCLSA-N 1 1 390.823 3.688 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N[C@H]2CCOc3c(F)cc(F)cc32)ncc1[N+](=O)[O-] ZINC001162405348 1025737667 /nfs/dbraw/zinc/73/76/67/1025737667.db2.gz FQOVNHJWKATVRK-UJAVWCLSSA-N 1 1 376.363 3.736 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000832697940 1025850054 /nfs/dbraw/zinc/85/00/54/1025850054.db2.gz LAVUJYWYNKRHIP-MRXNPFEDSA-N 1 1 377.422 3.558 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)c2c1 ZINC001162707492 1025886083 /nfs/dbraw/zinc/88/60/83/1025886083.db2.gz YSDILHMMHXHBQR-MRXNPFEDSA-N 1 1 394.475 3.896 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3c(F)cccc3[N+](=O)[O-])cc2)C1 ZINC001141632576 1025967698 /nfs/dbraw/zinc/96/76/98/1025967698.db2.gz GBWAFLACYMGPLJ-HNNXBMFYSA-N 1 1 385.439 3.896 20 5 GHBDMO O=[N+]([O-])c1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1Br ZINC000839525636 1026011414 /nfs/dbraw/zinc/01/14/14/1026011414.db2.gz VOORONYMARQNAR-CJNGLKHVSA-N 1 1 394.313 3.806 20 5 GHBDMO Cc1noc(C2(C)CC[NH+](Cc3cccc([N+](=O)[O-])c3Br)CC2)n1 ZINC000839548020 1026043445 /nfs/dbraw/zinc/04/34/45/1026043445.db2.gz XGFWXUQYWHKCEF-UHFFFAOYSA-N 1 1 395.257 3.602 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001163173507 1026076403 /nfs/dbraw/zinc/07/64/03/1026076403.db2.gz QPVVZSUDYOAGHE-MRXNPFEDSA-N 1 1 375.469 3.899 20 5 GHBDMO CCC(=O)Nc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC001461059074 1069367576 /nfs/dbraw/zinc/36/75/76/1069367576.db2.gz RJUOQSBXSVSPAE-UHFFFAOYSA-N 1 1 379.363 3.835 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839636189 1026142556 /nfs/dbraw/zinc/14/25/56/1026142556.db2.gz OPRDJEOOYUSEMX-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839636189 1026142565 /nfs/dbraw/zinc/14/25/65/1026142565.db2.gz OPRDJEOOYUSEMX-MRXNPFEDSA-N 1 1 395.253 3.531 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1cccc(Br)c1 ZINC000839641245 1026149335 /nfs/dbraw/zinc/14/93/35/1026149335.db2.gz NQUNBGYOGPZUCN-KRWDZBQOSA-N 1 1 379.254 3.565 20 5 GHBDMO Cc1c(Br)c(NC[C@@H]2CC[N@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC001163740088 1026299229 /nfs/dbraw/zinc/29/92/29/1026299229.db2.gz PFYHBUJIMJRPQA-ZDUSSCGKSA-N 1 1 383.290 3.880 20 5 GHBDMO Cn1cc(N2C[C@@H]3C[N@@H+](Cc4c5ccccc5cc5ccccc54)C[C@@H]3C2=O)cn1 ZINC001141724447 1026348332 /nfs/dbraw/zinc/34/83/32/1026348332.db2.gz FYGUTGIMTCBGAL-CVDCTZTESA-N 1 1 396.494 3.821 20 5 GHBDMO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001141724751 1026349275 /nfs/dbraw/zinc/34/92/75/1026349275.db2.gz QORZOFKVKYUYPZ-RPWUZVMVSA-N 1 1 396.494 3.873 20 5 GHBDMO COc1nc(C)c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1[N+](=O)[O-] ZINC001164491649 1026529499 /nfs/dbraw/zinc/52/94/99/1026529499.db2.gz FXSUFXWRWOMBQU-OKZBNKHCSA-N 1 1 382.464 3.629 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001141775930 1027216620 /nfs/dbraw/zinc/21/66/20/1027216620.db2.gz XHUQPKKEJCBCFE-VQIMIIECSA-N 1 1 397.475 3.775 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)c2c(Cl)c1 ZINC000840116592 1027224086 /nfs/dbraw/zinc/22/40/86/1027224086.db2.gz PYCLLDGCAPVSJV-DJIMGWMZSA-N 1 1 378.860 3.571 20 5 GHBDMO CC1(C)C(=O)N(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[C@@H]1c1ccncc1 ZINC000840125885 1027249338 /nfs/dbraw/zinc/24/93/38/1027249338.db2.gz QBNUSAQMDKRBRE-UYAOXDASSA-N 1 1 394.475 3.736 20 5 GHBDMO CC1(C)C(=O)N(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[C@@H]1c1ccncc1 ZINC000840125885 1027249353 /nfs/dbraw/zinc/24/93/53/1027249353.db2.gz QBNUSAQMDKRBRE-UYAOXDASSA-N 1 1 394.475 3.736 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001150144143 1030426776 /nfs/dbraw/zinc/42/67/76/1030426776.db2.gz YKRPSQRMQXSZFX-KXBFYZLASA-N 1 1 393.443 3.981 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@@H]1C[NH2+][C@H]1C ZINC001218389902 1030916297 /nfs/dbraw/zinc/91/62/97/1030916297.db2.gz ZTHOBZSRTLKWAE-HXPMCKFVSA-N 1 1 381.428 3.605 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001461724476 1069704114 /nfs/dbraw/zinc/70/41/14/1069704114.db2.gz QNBMZIPOWHAIPK-KCQSEKJDSA-N 1 1 393.487 3.977 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCO[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC001224777997 1031114799 /nfs/dbraw/zinc/11/47/99/1031114799.db2.gz HUURHLHQIHEVFC-LJQANCHMSA-N 1 1 376.840 3.918 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001225451809 1031421837 /nfs/dbraw/zinc/42/18/37/1031421837.db2.gz VBDWKLAUALLVKL-MRXNPFEDSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001225451809 1031421849 /nfs/dbraw/zinc/42/18/49/1031421849.db2.gz VBDWKLAUALLVKL-MRXNPFEDSA-N 1 1 388.395 3.564 20 5 GHBDMO Cc1ccc(N2CCC(Oc3ncc(Br)cc3[N+](=O)[O-])CC2)[nH+]c1 ZINC001225750605 1031580734 /nfs/dbraw/zinc/58/07/34/1031580734.db2.gz OSMQGEQCSFQTEC-UHFFFAOYSA-N 1 1 393.241 3.504 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226437042 1031959709 /nfs/dbraw/zinc/95/97/09/1031959709.db2.gz SCRJKWBFUUFIOM-FOIQADDNSA-N 1 1 378.432 3.827 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001226441710 1031961540 /nfs/dbraw/zinc/96/15/40/1031961540.db2.gz UFCMMBMHMZDWET-LDQXTDLNSA-N 1 1 390.443 3.827 20 5 GHBDMO CC[N@@H+]1CC[C@H](Oc2c(OC)cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001229203876 1033338656 /nfs/dbraw/zinc/33/86/56/1033338656.db2.gz UPDJSHOPQYCBEK-KRWDZBQOSA-N 1 1 384.432 3.616 20 5 GHBDMO CC[N@H+]1CC[C@H](Oc2c(OC)cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001229203876 1033338664 /nfs/dbraw/zinc/33/86/64/1033338664.db2.gz UPDJSHOPQYCBEK-KRWDZBQOSA-N 1 1 384.432 3.616 20 5 GHBDMO CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001229244920 1033365046 /nfs/dbraw/zinc/36/50/46/1033365046.db2.gz UFFSRIKAPWNERN-LLVKDONJSA-N 1 1 394.225 3.540 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001157066175 1033398891 /nfs/dbraw/zinc/39/88/91/1033398891.db2.gz CXSPPCRVTVIYAJ-UHFFFAOYSA-N 1 1 378.835 3.883 20 5 GHBDMO C[C@H](Oc1cc([N+](=O)[O-])cc2cccnc21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229342497 1033426261 /nfs/dbraw/zinc/42/62/61/1033426261.db2.gz AFADQQVXEOVPBD-HRAATJIYSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@H](Oc1cc([N+](=O)[O-])cc2cccnc21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229342497 1033426273 /nfs/dbraw/zinc/42/62/73/1033426273.db2.gz AFADQQVXEOVPBD-HRAATJIYSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229374853 1033444709 /nfs/dbraw/zinc/44/47/09/1033444709.db2.gz SZTCGJWMKQPDAA-KDOFPFPSSA-N 1 1 394.431 3.533 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229400236 1033457939 /nfs/dbraw/zinc/45/79/39/1033457939.db2.gz SPZFTTSBXPDMGH-MGPUTAFESA-N 1 1 378.432 3.827 20 5 GHBDMO C[C@@H]1COCC[C@H]1Oc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229808290 1033731274 /nfs/dbraw/zinc/73/12/74/1033731274.db2.gz PBYZPCOTZRXICT-QVKFZJNVSA-N 1 1 393.487 3.692 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001229956258 1033815959 /nfs/dbraw/zinc/81/59/59/1033815959.db2.gz AYIYOKVMKXZHAO-KRWDZBQOSA-N 1 1 384.432 3.733 20 5 GHBDMO O=C(c1ccc2oc3ccccc3c(=O)c2c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157969830 1033843257 /nfs/dbraw/zinc/84/32/57/1033843257.db2.gz NIUMMVRVMXQNCY-FQEVSTJZSA-N 1 1 384.435 3.733 20 5 GHBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001230464362 1034075789 /nfs/dbraw/zinc/07/57/89/1034075789.db2.gz HNCKIJQBJLGEFU-SXLOBPIMSA-N 1 1 386.496 3.501 20 5 GHBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]1[N@H+]2C ZINC001230941540 1034300081 /nfs/dbraw/zinc/30/00/81/1034300081.db2.gz URWXTNYQSBEXMG-UVUJQTEASA-N 1 1 396.443 3.807 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231056486 1034369704 /nfs/dbraw/zinc/36/97/04/1034369704.db2.gz SSJVBVMDDMSFAT-CABCVRRESA-N 1 1 379.420 3.537 20 5 GHBDMO COc1ccc(F)cc1C[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C)c2C)CC1 ZINC001161152784 1035161071 /nfs/dbraw/zinc/16/10/71/1035161071.db2.gz GVBMGQYBBJUXIM-UHFFFAOYSA-N 1 1 388.443 3.831 20 5 GHBDMO c1cnc(N2CC[C@@H]3C[N@H+](Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)nc1 ZINC001232222010 1035170046 /nfs/dbraw/zinc/17/00/46/1035170046.db2.gz FFOOWDUULCUYKZ-WOJBJXKFSA-N 1 1 396.498 3.531 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232225322 1035171408 /nfs/dbraw/zinc/17/14/08/1035171408.db2.gz ATZLLJCZPKWKJA-IEBWSBKVSA-N 1 1 390.487 3.834 20 5 GHBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3ccc4c(cccc4[N+](=O)[O-])n3)C2)c1 ZINC001161188162 1035171502 /nfs/dbraw/zinc/17/15/02/1035171502.db2.gz RHOBWVICNPBOGZ-INIZCTEOSA-N 1 1 378.432 3.838 20 5 GHBDMO CCN(Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001461948020 1069908965 /nfs/dbraw/zinc/90/89/65/1069908965.db2.gz HOQQLWGUJJBWOJ-VQIMIIECSA-N 1 1 399.491 3.966 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001248208115 1035639495 /nfs/dbraw/zinc/63/94/95/1035639495.db2.gz ITIUXBJSFHDXTC-CQSZACIVSA-N 1 1 380.738 3.819 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cc(Cl)c(F)cc2F)no1 ZINC001248209748 1035640725 /nfs/dbraw/zinc/64/07/25/1035640725.db2.gz VGXBBCZDIARSOI-CQSZACIVSA-N 1 1 380.738 3.819 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N(Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1)C2 ZINC001246959714 1037776849 /nfs/dbraw/zinc/77/68/49/1037776849.db2.gz XULKGOBWZCYMFO-IBGZPJMESA-N 1 1 387.430 3.594 20 5 GHBDMO Cc1ccc2c(c1)nc(-c1n[nH]c3cc([N+](=O)[O-])ccc31)n2C1CC[NH2+]CC1 ZINC001247038142 1037861584 /nfs/dbraw/zinc/86/15/84/1037861584.db2.gz ALNRJCUBMRMNAV-UHFFFAOYSA-N 1 1 376.420 3.721 20 5 GHBDMO O=[N+]([O-])c1cc2nc(O[C@H]3CCN4Cc5ccccc5[NH+]=C34)[nH]c2cc1Cl ZINC001233505837 1039396346 /nfs/dbraw/zinc/39/63/46/1039396346.db2.gz HYVPWOHVQLYRBP-INIZCTEOSA-N 1 1 383.795 3.821 20 5 GHBDMO CCC1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)(C(=O)OC)CC1 ZINC001254470535 1040257010 /nfs/dbraw/zinc/25/70/10/1040257010.db2.gz WOMBKZUDHIFUOX-UHFFFAOYSA-N 1 1 389.496 3.665 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC001254474027 1040260926 /nfs/dbraw/zinc/26/09/26/1040260926.db2.gz NDUHOLPYCVNJNY-FUHWJXTLSA-N 1 1 382.464 3.538 20 5 GHBDMO CN(C)CC[N@@H+](Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476956 1040264409 /nfs/dbraw/zinc/26/44/09/1040264409.db2.gz XWRICVZYSLVCHY-UHFFFAOYSA-N 1 1 382.508 3.627 20 5 GHBDMO C[NH+](C)CCN(Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476956 1040264421 /nfs/dbraw/zinc/26/44/21/1040264421.db2.gz XWRICVZYSLVCHY-UHFFFAOYSA-N 1 1 382.508 3.627 20 5 GHBDMO C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1Cc1ccccc1 ZINC001254480508 1040268067 /nfs/dbraw/zinc/26/80/67/1040268067.db2.gz HZKDCKDHEYBWSS-IBGZPJMESA-N 1 1 394.519 3.770 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001254551742 1040318485 /nfs/dbraw/zinc/31/84/85/1040318485.db2.gz FAPCLESHSQBNHC-JKSUJKDBSA-N 1 1 377.485 3.715 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]2C ZINC001254556443 1040326003 /nfs/dbraw/zinc/32/60/03/1040326003.db2.gz KZTISJQJFBTXLL-IRXDYDNUSA-N 1 1 385.512 3.639 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001254556914 1040326053 /nfs/dbraw/zinc/32/60/53/1040326053.db2.gz NFGQXIOCDQGHGU-KBAYOESNSA-N 1 1 386.521 3.579 20 5 GHBDMO CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001254560466 1040331580 /nfs/dbraw/zinc/33/15/80/1040331580.db2.gz SXUOZABAOOZVTE-DOTOQJQBSA-N 1 1 377.485 3.857 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(CC3CC3)nc21 ZINC001254560363 1040331728 /nfs/dbraw/zinc/33/17/28/1040331728.db2.gz FLRGDKWEPVPRPL-UZLBHIALSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001254560037 1040332646 /nfs/dbraw/zinc/33/26/46/1040332646.db2.gz OTAAZCOVSCLLON-DOTOQJQBSA-N 1 1 377.485 3.905 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593412 1040366276 /nfs/dbraw/zinc/36/62/76/1040366276.db2.gz MEDNSHXPEYEUSU-NZSAHSFTSA-N 1 1 387.480 3.536 20 5 GHBDMO CN1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605677 1040377228 /nfs/dbraw/zinc/37/72/28/1040377228.db2.gz CFKIUIZRYSSBRK-JOCHJYFZSA-N 1 1 383.467 3.798 20 5 GHBDMO CCOc1cc2c(cc1OCC)C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254606393 1040378106 /nfs/dbraw/zinc/37/81/06/1040378106.db2.gz DZBATQWYFLXFEJ-HXUWFJFHSA-N 1 1 382.460 3.918 20 5 GHBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(O)cc(Br)cc1[N+](=O)[O-])C2 ZINC001234878436 1040392808 /nfs/dbraw/zinc/39/28/08/1040392808.db2.gz VIHWXVZIGHPBDA-ITGUQSILSA-N 1 1 385.258 3.846 20 5 GHBDMO COc1ccc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255388585 1040977370 /nfs/dbraw/zinc/97/73/70/1040977370.db2.gz YPGUXDWKUDFTDU-MRXNPFEDSA-N 1 1 380.404 3.643 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]nc(-c3nnc([C@@H]4CC[N@@H+](Cc5ccccc5)C4)o3)c2c1 ZINC001255404637 1040991509 /nfs/dbraw/zinc/99/15/09/1040991509.db2.gz IMMDYUZBJSOBFC-CQSZACIVSA-N 1 1 390.403 3.511 20 5 GHBDMO Cc1ccc(Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255444806 1041043967 /nfs/dbraw/zinc/04/39/67/1041043967.db2.gz FCKUXPHPEPJJAM-GOSISDBHSA-N 1 1 378.432 3.867 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255486357 1041083533 /nfs/dbraw/zinc/08/35/33/1041083533.db2.gz IEZDHTSZUMXROD-HNNXBMFYSA-N 1 1 395.375 3.543 20 5 GHBDMO COc1cc(N2CCC([N@@H+]3C[C@@H]4CC(F)(F)C[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256094204 1041523478 /nfs/dbraw/zinc/52/34/78/1041523478.db2.gz VJVZDYIKJAUUHV-OKILXGFUSA-N 1 1 381.423 3.549 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@H]3Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001256099547 1041527052 /nfs/dbraw/zinc/52/70/52/1041527052.db2.gz REQONRYLSGGHIK-FQEVSTJZSA-N 1 1 396.491 3.674 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C)CCc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC001256101181 1041528226 /nfs/dbraw/zinc/52/82/26/1041528226.db2.gz ATZQGLIBMPMNOK-UHFFFAOYSA-N 1 1 387.455 3.886 20 5 GHBDMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C)C1 ZINC001291113129 1043084575 /nfs/dbraw/zinc/08/45/75/1043084575.db2.gz XSAUWGMPHSDENE-SJORKVTESA-N 1 1 398.511 3.574 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001292110058 1043597200 /nfs/dbraw/zinc/59/72/00/1043597200.db2.gz QYBNSEUKGQECBA-PBHICJAKSA-N 1 1 387.867 3.742 20 5 GHBDMO CC/C(=C\c1cccc([N+](=O)[O-])c1)c1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001258104050 1044396961 /nfs/dbraw/zinc/39/69/61/1044396961.db2.gz YQFTWSFZMBQKTQ-SBSYXSKNSA-N 1 1 386.452 3.580 20 5 GHBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498637819 1046135330 /nfs/dbraw/zinc/13/53/30/1046135330.db2.gz IKRLSCUBUCGZKP-OAHLLOKOSA-N 1 1 389.839 3.865 20 5 GHBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@@H]1C)[N@@H+](C)C1CC1 ZINC001305079239 1047881231 /nfs/dbraw/zinc/88/12/31/1047881231.db2.gz KUNAAYXTMOWNSM-PMPSAXMXSA-N 1 1 398.511 3.571 20 5 GHBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001306523694 1048714659 /nfs/dbraw/zinc/71/46/59/1048714659.db2.gz DTPAUZYUPJDMIM-LJQANCHMSA-N 1 1 391.487 3.827 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001307515159 1049356253 /nfs/dbraw/zinc/35/62/53/1049356253.db2.gz IGXPZVYPFVVEIY-AUSIDOKSSA-N 1 1 396.487 3.705 20 5 GHBDMO Cc1noc(CN2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC001307582626 1049421610 /nfs/dbraw/zinc/42/16/10/1049421610.db2.gz IOEJEVUTMNBUJL-UHFFFAOYSA-N 1 1 384.480 3.912 20 5 GHBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCN(C)C(=O)OC(C)(C)C ZINC001308093883 1049840638 /nfs/dbraw/zinc/84/06/38/1049840638.db2.gz ZPNCIBQHXFYKBZ-UHFFFAOYSA-N 1 1 381.473 3.551 20 5 GHBDMO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC001308114693 1049858895 /nfs/dbraw/zinc/85/88/95/1049858895.db2.gz QBYHVUVAOSKZFZ-LBPRGKRZSA-N 1 1 384.358 3.760 20 5 GHBDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC001308114693 1049858907 /nfs/dbraw/zinc/85/89/07/1049858907.db2.gz QBYHVUVAOSKZFZ-LBPRGKRZSA-N 1 1 384.358 3.760 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001308479443 1049985558 /nfs/dbraw/zinc/98/55/58/1049985558.db2.gz QMEAURSAGIZBRV-CQSZACIVSA-N 1 1 382.302 3.569 20 5 GHBDMO CCOC(=O)N1CCC(C)(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001308570773 1050014047 /nfs/dbraw/zinc/01/40/47/1050014047.db2.gz MUBMICOUPCLEHJ-UHFFFAOYSA-N 1 1 375.469 3.818 20 5 GHBDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308825064 1050109659 /nfs/dbraw/zinc/10/96/59/1050109659.db2.gz ILEYVTMCYBPWTL-STQMWFEESA-N 1 1 375.425 3.678 20 5 GHBDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308825064 1050109662 /nfs/dbraw/zinc/10/96/62/1050109662.db2.gz ILEYVTMCYBPWTL-STQMWFEESA-N 1 1 375.425 3.678 20 5 GHBDMO O=c1[nH]c2c(cc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCCC2 ZINC001308908735 1050157464 /nfs/dbraw/zinc/15/74/64/1050157464.db2.gz KPIWVHSIODFEIS-UHFFFAOYSA-N 1 1 381.354 3.883 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)o1 ZINC001328041746 1050370083 /nfs/dbraw/zinc/37/00/83/1050370083.db2.gz PJSFCBQJQJWWJQ-AWEZNQCLSA-N 1 1 387.827 3.937 20 5 GHBDMO CN1CC[NH+](Cc2cccc(CNc3ccc4cnccc4c3[N+](=O)[O-])c2)CC1 ZINC001328789472 1050638973 /nfs/dbraw/zinc/63/89/73/1050638973.db2.gz QSRMBEDKDBXBMP-UHFFFAOYSA-N 1 1 391.475 3.503 20 5 GHBDMO Cc1cc(NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001311322254 1052018614 /nfs/dbraw/zinc/01/86/14/1052018614.db2.gz GTJYGIMTHLLIFJ-IBGZPJMESA-N 1 1 382.464 3.684 20 5 GHBDMO C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001311429595 1052133784 /nfs/dbraw/zinc/13/37/84/1052133784.db2.gz BKPBBVHVCTVTAY-SJORKVTESA-N 1 1 376.501 3.652 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001335694074 1052151417 /nfs/dbraw/zinc/15/14/17/1052151417.db2.gz ADDCHBXNZBFHRW-AGRHKRQWSA-N 1 1 386.427 3.540 20 5 GHBDMO Cc1ccc(CNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001311712038 1052349614 /nfs/dbraw/zinc/34/96/14/1052349614.db2.gz IUGVYZICCRLEHV-LPHOPBHVSA-N 1 1 382.464 3.538 20 5 GHBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC001343546834 1053864342 /nfs/dbraw/zinc/86/43/42/1053864342.db2.gz GZVMYBJYSDAVQB-UHFFFAOYSA-N 1 1 396.491 3.629 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC001320174709 1055691274 /nfs/dbraw/zinc/69/12/74/1055691274.db2.gz BAGNVLLYOPMKLG-DLBZAZTESA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC001320174709 1055691277 /nfs/dbraw/zinc/69/12/77/1055691277.db2.gz BAGNVLLYOPMKLG-DLBZAZTESA-N 1 1 377.803 3.563 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c(Br)c1 ZINC001320530795 1055862843 /nfs/dbraw/zinc/86/28/43/1055862843.db2.gz DRILMFFVYZOQAH-UHFFFAOYSA-N 1 1 391.265 3.841 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)c1ccc([S@@](C)=O)cc1 ZINC001320530677 1055863161 /nfs/dbraw/zinc/86/31/61/1055863161.db2.gz AZWBRTOROWXTNG-QVQLBTGDSA-N 1 1 397.294 3.946 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320664691 1055921065 /nfs/dbraw/zinc/92/10/65/1055921065.db2.gz NANRERAUHJZVJE-LPHOPBHVSA-N 1 1 386.427 3.918 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320664691 1055921068 /nfs/dbraw/zinc/92/10/68/1055921068.db2.gz NANRERAUHJZVJE-LPHOPBHVSA-N 1 1 386.427 3.918 20 5 GHBDMO O=C(c1ccn(-c2cc[nH+]cc2)n1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001320800951 1055967090 /nfs/dbraw/zinc/96/70/90/1055967090.db2.gz ZBWKANDHUKVRMM-UHFFFAOYSA-N 1 1 377.404 3.765 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)cc1Cl ZINC001320940763 1056025987 /nfs/dbraw/zinc/02/59/87/1056025987.db2.gz CPVHNSAEVIHWHP-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO Cc1nc(NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC001472746764 1056799735 /nfs/dbraw/zinc/79/97/35/1056799735.db2.gz NLFGMZBDKOJLTB-CALCHBBNSA-N 1 1 398.507 3.919 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000848484818 1057120627 /nfs/dbraw/zinc/12/06/27/1057120627.db2.gz QVXIFXPSOFAKGW-OAQYLSRUSA-N 1 1 376.416 3.547 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000848484818 1057120632 /nfs/dbraw/zinc/12/06/32/1057120632.db2.gz QVXIFXPSOFAKGW-OAQYLSRUSA-N 1 1 376.416 3.547 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000848484817 1057120747 /nfs/dbraw/zinc/12/07/47/1057120747.db2.gz QVXIFXPSOFAKGW-NRFANRHFSA-N 1 1 376.416 3.547 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000848484817 1057120752 /nfs/dbraw/zinc/12/07/52/1057120752.db2.gz QVXIFXPSOFAKGW-NRFANRHFSA-N 1 1 376.416 3.547 20 5 GHBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000848488100 1057123114 /nfs/dbraw/zinc/12/31/14/1057123114.db2.gz GFZHHHMLZLWHQG-CJNGLKHVSA-N 1 1 385.386 3.533 20 5 GHBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000848488100 1057123118 /nfs/dbraw/zinc/12/31/18/1057123118.db2.gz GFZHHHMLZLWHQG-CJNGLKHVSA-N 1 1 385.386 3.533 20 5 GHBDMO O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001324815903 1057232041 /nfs/dbraw/zinc/23/20/41/1057232041.db2.gz SKBKICNTFJYQEI-MRXNPFEDSA-N 1 1 397.269 3.808 20 5 GHBDMO C[N@H+](CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)Cc1ccccc1 ZINC001325553149 1057340034 /nfs/dbraw/zinc/34/00/34/1057340034.db2.gz CEEVAOADHNSCCF-KRWDZBQOSA-N 1 1 399.344 3.586 20 5 GHBDMO C[N@@H+](CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)Cc1ccccc1 ZINC001325553149 1057340038 /nfs/dbraw/zinc/34/00/38/1057340038.db2.gz CEEVAOADHNSCCF-KRWDZBQOSA-N 1 1 399.344 3.586 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001441457372 1058785980 /nfs/dbraw/zinc/78/59/80/1058785980.db2.gz AFBSGJGSIURSGX-IYBDPMFKSA-N 1 1 396.491 3.706 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001441525063 1058805862 /nfs/dbraw/zinc/80/58/62/1058805862.db2.gz TYBVANAIIULEOC-HNNXBMFYSA-N 1 1 384.480 3.715 20 5 GHBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1 ZINC001441639240 1058830175 /nfs/dbraw/zinc/83/01/75/1058830175.db2.gz DXSJCBVXSOJBEE-UHFFFAOYSA-N 1 1 388.815 3.592 20 5 GHBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001441639335 1058831396 /nfs/dbraw/zinc/83/13/96/1058831396.db2.gz FZAJDYUMUDLCKY-UHFFFAOYSA-N 1 1 379.420 3.798 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001442662813 1058990827 /nfs/dbraw/zinc/99/08/27/1058990827.db2.gz MDGXSKJCOWVKND-LZWOXQAQSA-N 1 1 379.888 3.655 20 5 GHBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001443722940 1059181358 /nfs/dbraw/zinc/18/13/58/1059181358.db2.gz HLYNHFWZVDCGFH-CALCHBBNSA-N 1 1 390.528 3.539 20 5 GHBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001443722948 1059181687 /nfs/dbraw/zinc/18/16/87/1059181687.db2.gz HLYNHFWZVDCGFH-IAGOWNOFSA-N 1 1 390.528 3.539 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC001443906207 1059230129 /nfs/dbraw/zinc/23/01/29/1059230129.db2.gz KLCZWKBCGZOBFA-HNNXBMFYSA-N 1 1 399.495 3.615 20 5 GHBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001341603921 1060770443 /nfs/dbraw/zinc/77/04/43/1060770443.db2.gz DCPFDTUBFDFDBE-CQSZACIVSA-N 1 1 391.855 3.808 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001454395630 1061750393 /nfs/dbraw/zinc/75/03/93/1061750393.db2.gz COTHNOKLHSKYME-RDTXWAMCSA-N 1 1 387.867 3.889 20 5 GHBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC001458249370 1063694063 /nfs/dbraw/zinc/69/40/63/1063694063.db2.gz VKWVGUIYFPKMLC-UHFFFAOYSA-N 1 1 393.241 3.641 20 5 GHBDMO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc[nH+]c(N(C)C)c3)cc2[N+](=O)[O-])C1 ZINC001458491906 1063844497 /nfs/dbraw/zinc/84/44/97/1063844497.db2.gz MHIWLMODWLLFSB-GJZGRUSLSA-N 1 1 397.479 3.790 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001458631121 1063910041 /nfs/dbraw/zinc/91/00/41/1063910041.db2.gz NFACRMCWVZWIRA-DYESRHJHSA-N 1 1 393.487 3.653 20 5 GHBDMO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1Cc2ccccc2C1 ZINC001459355815 1064073139 /nfs/dbraw/zinc/07/31/39/1064073139.db2.gz SCZQWFQGJACGNH-UHFFFAOYSA-N 1 1 384.823 3.897 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001459479666 1064109793 /nfs/dbraw/zinc/10/97/93/1064109793.db2.gz LMRWZACDPPWFSV-GOSISDBHSA-N 1 1 397.475 3.948 20 5 GHBDMO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[N@H+]1Cc1ccccc1 ZINC001465158763 1065425506 /nfs/dbraw/zinc/42/55/06/1065425506.db2.gz XVEYDRMGKRVRGJ-QGZVFWFLSA-N 1 1 398.463 3.732 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001465915926 1065920162 /nfs/dbraw/zinc/92/01/62/1065920162.db2.gz OIFGADPVGHAGLJ-ZBFHGGJFSA-N 1 1 385.489 3.710 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001466376545 1066121653 /nfs/dbraw/zinc/12/16/53/1066121653.db2.gz OHVRLLBYUVJJQN-QAPCUYQASA-N 1 1 398.463 3.778 20 5 GHBDMO CCC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC001473359810 1067460414 /nfs/dbraw/zinc/46/04/14/1067460414.db2.gz DGKFUNSLORLWGY-AWEZNQCLSA-N 1 1 391.493 3.947 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC001473544553 1067564735 /nfs/dbraw/zinc/56/47/35/1067564735.db2.gz CPOIQROMONJSRI-FUHWJXTLSA-N 1 1 393.528 3.943 20 5 GHBDMO C[C@@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001478110008 1078722832 /nfs/dbraw/zinc/72/28/32/1078722832.db2.gz BGNWMRHCHCKAFW-ROUUACIJSA-N 1 1 398.507 3.908 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001360681717 1068598335 /nfs/dbraw/zinc/59/83/35/1068598335.db2.gz JSLFWSBSFAURQT-QGZVFWFLSA-N 1 1 385.489 3.711 20 5 GHBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000774601258 1068747821 /nfs/dbraw/zinc/74/78/21/1068747821.db2.gz BHYYYUBCBOZHJE-GHMZBOCLSA-N 1 1 392.799 3.834 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001460209013 1068860462 /nfs/dbraw/zinc/86/04/62/1068860462.db2.gz YDPHMQKHMFRYRT-UONOGXRCSA-N 1 1 381.448 3.717 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001460209013 1068860473 /nfs/dbraw/zinc/86/04/73/1068860473.db2.gz YDPHMQKHMFRYRT-UONOGXRCSA-N 1 1 381.448 3.717 20 5 GHBDMO CC[N@@H+](CCOc1ccccc1C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001460282154 1068905749 /nfs/dbraw/zinc/90/57/49/1068905749.db2.gz DNDFGMHYYBGJQD-QGZVFWFLSA-N 1 1 385.464 3.940 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@]1(O)CCc2ccccc21 ZINC001460284643 1068906937 /nfs/dbraw/zinc/90/69/37/1068906937.db2.gz UCWVZGSUPINOMK-GOSISDBHSA-N 1 1 391.265 3.623 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460459777 1068970310 /nfs/dbraw/zinc/97/03/10/1068970310.db2.gz OGKRLDWHELCZTM-QAPCUYQASA-N 1 1 377.485 3.763 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001460691702 1069090310 /nfs/dbraw/zinc/09/03/10/1069090310.db2.gz NNNUULHSKMGFMH-OAHLLOKOSA-N 1 1 395.887 3.715 20 5 GHBDMO O=C(C[N@H+]1CCCC[C@@H](C2CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001460691702 1069090312 /nfs/dbraw/zinc/09/03/12/1069090312.db2.gz NNNUULHSKMGFMH-OAHLLOKOSA-N 1 1 395.887 3.715 20 5 GHBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001471062664 1072910121 /nfs/dbraw/zinc/91/01/21/1072910121.db2.gz CUKUHTQIPNTBLI-IBGZPJMESA-N 1 1 399.466 3.837 20 5 GHBDMO CC[N@@H+](CCCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001478928124 1079029270 /nfs/dbraw/zinc/02/92/70/1079029270.db2.gz NZKXTQCPBIDXKL-UHFFFAOYSA-N 1 1 390.528 3.823 20 5 GHBDMO C[N@@H+](CCc1cccc(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1)C1CC1 ZINC001472745818 1073647637 /nfs/dbraw/zinc/64/76/37/1073647637.db2.gz APHISHPCLTVXJB-UHFFFAOYSA-N 1 1 394.475 3.867 20 5 GHBDMO CCc1cc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472793517 1073668524 /nfs/dbraw/zinc/66/85/24/1073668524.db2.gz DUBFNWYKMZWLNU-OAHLLOKOSA-N 1 1 381.480 3.535 20 5 GHBDMO COc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)c1 ZINC001472857995 1073696981 /nfs/dbraw/zinc/69/69/81/1073696981.db2.gz NEDIBZGPNINVRU-UHFFFAOYSA-N 1 1 395.381 3.944 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](CC2CCCCC2)C2CC2)c([N+](=O)[O-])c1 ZINC001473113357 1073786880 /nfs/dbraw/zinc/78/68/80/1073786880.db2.gz FPJRYJLAZKEMRS-UHFFFAOYSA-N 1 1 375.469 3.977 20 5 GHBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001473427314 1073960404 /nfs/dbraw/zinc/96/04/04/1073960404.db2.gz XNQGBKORIJLIAY-KRWDZBQOSA-N 1 1 399.285 3.769 20 5 GHBDMO CC1CCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC001473455300 1073972334 /nfs/dbraw/zinc/97/23/34/1073972334.db2.gz IQEMDVYFSHYRHT-GOSISDBHSA-N 1 1 375.469 3.818 20 5 GHBDMO CC1CCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC001473455300 1073972335 /nfs/dbraw/zinc/97/23/35/1073972335.db2.gz IQEMDVYFSHYRHT-GOSISDBHSA-N 1 1 375.469 3.818 20 5 GHBDMO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001473466943 1073978846 /nfs/dbraw/zinc/97/88/46/1073978846.db2.gz RLVORIGHMGUZKM-KRWDZBQOSA-N 1 1 393.484 3.874 20 5 GHBDMO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001473466943 1073978851 /nfs/dbraw/zinc/97/88/51/1073978851.db2.gz RLVORIGHMGUZKM-KRWDZBQOSA-N 1 1 393.484 3.874 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC001473506986 1073993198 /nfs/dbraw/zinc/99/31/98/1073993198.db2.gz QWWICQYPDQLRGZ-IIDMSEBBSA-N 1 1 383.448 3.808 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1 ZINC001473582522 1074029581 /nfs/dbraw/zinc/02/95/81/1074029581.db2.gz OLRDFJPANQUJDI-FGZHOGPDSA-N 1 1 384.476 3.822 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001473849774 1074174495 /nfs/dbraw/zinc/17/44/95/1074174495.db2.gz KBXYBICMSCNGLR-GOEBONIOSA-N 1 1 377.485 3.886 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC001474312860 1074335350 /nfs/dbraw/zinc/33/53/50/1074335350.db2.gz SABKUYIPLYJVOZ-UHFFFAOYSA-N 1 1 383.448 3.918 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC001474312860 1074335353 /nfs/dbraw/zinc/33/53/53/1074335353.db2.gz SABKUYIPLYJVOZ-UHFFFAOYSA-N 1 1 383.448 3.918 20 5 GHBDMO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001474710830 1074528785 /nfs/dbraw/zinc/52/87/85/1074528785.db2.gz XCZBLIPGAXBAHM-UHFFFAOYSA-N 1 1 399.266 3.822 20 5 GHBDMO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001474710830 1074528791 /nfs/dbraw/zinc/52/87/91/1074528791.db2.gz XCZBLIPGAXBAHM-UHFFFAOYSA-N 1 1 399.266 3.822 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC001164629094 719086001 /nfs/dbraw/zinc/08/60/01/719086001.db2.gz VNXIPLXQXNRHDJ-LPHOPBHVSA-N 1 1 377.448 3.572 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176581580 837436797 /nfs/dbraw/zinc/43/67/97/837436797.db2.gz KOSHPAYDKKJLGT-IEBWSBKVSA-N 1 1 396.491 3.566 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000173264363 837601601 /nfs/dbraw/zinc/60/16/01/837601601.db2.gz ZXFKZCFZCKLLGK-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000173264363 837601604 /nfs/dbraw/zinc/60/16/04/837601604.db2.gz ZXFKZCFZCKLLGK-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472323392 834658191 /nfs/dbraw/zinc/65/81/91/834658191.db2.gz SZUCCQRAQXYOJU-WMZOPIPTSA-N 1 1 397.475 3.885 20 5 GHBDMO C[C@@H]1C[C@@H](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000510067908 834816214 /nfs/dbraw/zinc/81/62/14/834816214.db2.gz BGPFWVTZYYPEJX-NVXWUHKLSA-N 1 1 385.439 3.764 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000510068820 834829271 /nfs/dbraw/zinc/82/92/71/834829271.db2.gz DLEDBOOVGJWJTQ-WMZOPIPTSA-N 1 1 399.466 3.693 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000480499765 834872761 /nfs/dbraw/zinc/87/27/61/834872761.db2.gz QJGUGCSPXLEBPN-ROUUACIJSA-N 1 1 394.475 3.564 20 5 GHBDMO C[N@H+]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000097617305 835319015 /nfs/dbraw/zinc/31/90/15/835319015.db2.gz SPBUULUUELBKFJ-UHFFFAOYSA-N 1 1 389.839 3.818 20 5 GHBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000254942027 835332859 /nfs/dbraw/zinc/33/28/59/835332859.db2.gz ICNXISBMYPKOPK-UKSYNSBOSA-N 1 1 394.475 3.516 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000612093803 835469488 /nfs/dbraw/zinc/46/94/88/835469488.db2.gz PNWYDGYAFIWJJR-ZWKOTPCHSA-N 1 1 395.459 3.695 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000612101669 835478030 /nfs/dbraw/zinc/47/80/30/835478030.db2.gz CUIYYIZDUCTUJC-YJBOKZPZSA-N 1 1 397.431 3.703 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000612101669 835478034 /nfs/dbraw/zinc/47/80/34/835478034.db2.gz CUIYYIZDUCTUJC-YJBOKZPZSA-N 1 1 397.431 3.703 20 5 GHBDMO Cc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000432860343 844058227 /nfs/dbraw/zinc/05/82/27/844058227.db2.gz RXVGYVGRIVWHLH-CYBMUJFWSA-N 1 1 386.290 3.579 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1csc([N+](=O)[O-])c1 ZINC000612127881 835570033 /nfs/dbraw/zinc/57/00/33/835570033.db2.gz AHOMLIFNZNMUNM-CGTJXYLNSA-N 1 1 385.489 3.687 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000052865646 835748012 /nfs/dbraw/zinc/74/80/12/835748012.db2.gz RCYQSYZJCKRBJE-FQEVSTJZSA-N 1 1 384.432 3.643 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000052865646 835748021 /nfs/dbraw/zinc/74/80/21/835748021.db2.gz RCYQSYZJCKRBJE-FQEVSTJZSA-N 1 1 384.432 3.643 20 5 GHBDMO COc1ccc(C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C2CC2)cc1 ZINC000052866959 835748133 /nfs/dbraw/zinc/74/81/33/835748133.db2.gz VELMZVYKMINGPG-MRXNPFEDSA-N 1 1 397.475 3.867 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179512982 835786630 /nfs/dbraw/zinc/78/66/30/835786630.db2.gz TUJYEWLAMWXPOU-HNNXBMFYSA-N 1 1 385.468 3.757 20 5 GHBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609194072 835832684 /nfs/dbraw/zinc/83/26/84/835832684.db2.gz HORQETTUNPZNHZ-INIZCTEOSA-N 1 1 377.485 3.510 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000609614068 835983391 /nfs/dbraw/zinc/98/33/91/835983391.db2.gz LSPDGIHTTHRLGO-IAGOWNOFSA-N 1 1 389.496 3.548 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000411329868 836138613 /nfs/dbraw/zinc/13/86/13/836138613.db2.gz LAFYDKXZKXBZPN-CQSZACIVSA-N 1 1 387.436 3.721 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411387996 836160975 /nfs/dbraw/zinc/16/09/75/836160975.db2.gz KNCAPYGJCZRYGL-INIZCTEOSA-N 1 1 387.461 3.722 20 5 GHBDMO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928087 836193545 /nfs/dbraw/zinc/19/35/45/836193545.db2.gz OLMISYCEAZSOKJ-SFHVURJKSA-N 1 1 383.492 3.895 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134900276 836205967 /nfs/dbraw/zinc/20/59/67/836205967.db2.gz QGQYODRYPFXQNH-IDHHARJASA-N 1 1 397.479 3.655 20 5 GHBDMO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612482558 836294590 /nfs/dbraw/zinc/29/45/90/836294590.db2.gz FJXQFZNJEPAONU-SJLPKXTDSA-N 1 1 399.466 3.866 20 5 GHBDMO Nc1c(F)c(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000471253138 836370988 /nfs/dbraw/zinc/37/09/88/836370988.db2.gz CMUCYYFCUATHJO-UHFFFAOYSA-N 1 1 378.835 3.682 20 5 GHBDMO Nc1c(F)c(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000471253138 836370997 /nfs/dbraw/zinc/37/09/97/836370997.db2.gz CMUCYYFCUATHJO-UHFFFAOYSA-N 1 1 378.835 3.682 20 5 GHBDMO C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000246986047 836518333 /nfs/dbraw/zinc/51/83/33/836518333.db2.gz NUOJDPMROXPQTN-OKZBNKHCSA-N 1 1 388.512 3.952 20 5 GHBDMO Cc1cccc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000510190535 836710807 /nfs/dbraw/zinc/71/08/07/836710807.db2.gz FTSIKUOHNBDRNP-HKUYNNGSSA-N 1 1 381.476 3.934 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000053126912 836751120 /nfs/dbraw/zinc/75/11/20/836751120.db2.gz LHMGFBCVALJYLD-GFCCVEGCSA-N 1 1 393.390 3.903 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133863985 837237196 /nfs/dbraw/zinc/23/71/96/837237196.db2.gz YAHKMIPCTQBZRQ-UHFFFAOYSA-N 1 1 387.823 3.605 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133863985 837237204 /nfs/dbraw/zinc/23/72/04/837237204.db2.gz YAHKMIPCTQBZRQ-UHFFFAOYSA-N 1 1 387.823 3.605 20 5 GHBDMO Cn1cc[nH+]c1C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000610282256 837915452 /nfs/dbraw/zinc/91/54/52/837915452.db2.gz BHPIXFUXBOFVJI-KRWDZBQOSA-N 1 1 391.431 3.609 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177533523 837974118 /nfs/dbraw/zinc/97/41/18/837974118.db2.gz TUSHJIAGJONSLP-CRAIPNDOSA-N 1 1 383.448 3.810 20 5 GHBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275612596 838011528 /nfs/dbraw/zinc/01/15/28/838011528.db2.gz HGMNMISEFKQEST-WYRIXSBYSA-N 1 1 397.425 3.584 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000025183535 844299671 /nfs/dbraw/zinc/29/96/71/844299671.db2.gz XUXOUAGMJUQAFY-UHFFFAOYSA-N 1 1 395.459 3.660 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000025183535 844299682 /nfs/dbraw/zinc/29/96/82/844299682.db2.gz XUXOUAGMJUQAFY-UHFFFAOYSA-N 1 1 395.459 3.660 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[N@H+]1C1CC1 ZINC000275658468 838244818 /nfs/dbraw/zinc/24/48/18/838244818.db2.gz MLUPLCIJIRJYAD-RISCZKNCSA-N 1 1 397.425 3.727 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000189308589 838252335 /nfs/dbraw/zinc/25/23/35/838252335.db2.gz UUAVRXNFXDVVCP-OAHLLOKOSA-N 1 1 383.448 3.594 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1OC ZINC000541059228 838256767 /nfs/dbraw/zinc/25/67/67/838256767.db2.gz IBOKXXIHHNOPJM-IFXJQAMLSA-N 1 1 380.485 3.764 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(CC(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c1F ZINC000412316891 838307661 /nfs/dbraw/zinc/30/76/61/838307661.db2.gz NQDAJJVMCOUTPR-UHFFFAOYSA-N 1 1 395.818 3.639 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000189727744 838389270 /nfs/dbraw/zinc/38/92/70/838389270.db2.gz FJDIAGGXLOMBOC-OAQYLSRUSA-N 1 1 385.464 3.505 20 5 GHBDMO CC1CCN(c2ccc(C(=O)N3CCC(c4cnc[nH]4)CC3)cc2[N+](=O)[O-])CC1 ZINC000378081838 838397347 /nfs/dbraw/zinc/39/73/47/838397347.db2.gz FGHNLERKCAHAMB-UHFFFAOYSA-N 1 1 397.479 3.574 20 5 GHBDMO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000579257821 838560372 /nfs/dbraw/zinc/56/03/72/838560372.db2.gz NXEUTJSGDDSKAW-MGPUTAFESA-N 1 1 385.439 3.570 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000122919778 838947815 /nfs/dbraw/zinc/94/78/15/838947815.db2.gz GSHLGDFNMUNPCH-UHFFFAOYSA-N 1 1 378.473 3.579 20 5 GHBDMO CCOc1c(OC)cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000892739575 838950842 /nfs/dbraw/zinc/95/08/42/838950842.db2.gz IMCNMTHEPDCCJC-UHFFFAOYSA-N 1 1 380.828 3.954 20 5 GHBDMO COc1ccc(CN[C@H]2CC[NH2+]CC2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414967820 839020592 /nfs/dbraw/zinc/02/05/92/839020592.db2.gz HPQHDRICEHSFNZ-NRFANRHFSA-N 1 1 399.491 3.660 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CCc1cccc([N+](=O)[O-])c1 ZINC000549172894 839156260 /nfs/dbraw/zinc/15/62/60/839156260.db2.gz PQBZDNCZRBWLQZ-UHFFFAOYSA-N 1 1 379.819 3.890 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCCC2(CC2)C1 ZINC000473434605 844430730 /nfs/dbraw/zinc/43/07/30/844430730.db2.gz CWFVKTJASHFHGO-ZDUSSCGKSA-N 1 1 386.477 3.921 20 5 GHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCCC2(CC2)C1 ZINC000473434605 844430736 /nfs/dbraw/zinc/43/07/36/844430736.db2.gz CWFVKTJASHFHGO-ZDUSSCGKSA-N 1 1 386.477 3.921 20 5 GHBDMO CC[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+]1CCc2ccccc2C1 ZINC000109891398 839474841 /nfs/dbraw/zinc/47/48/41/839474841.db2.gz JABPPMMPZKOGMX-KRWDZBQOSA-N 1 1 392.459 3.643 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncc(-c4cccc(Cl)c4)o3)CC2)n1 ZINC000365823694 839568163 /nfs/dbraw/zinc/56/81/63/839568163.db2.gz VWLZUHBHSYWJQC-UHFFFAOYSA-N 1 1 387.827 3.937 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@@H]1O ZINC000190066064 839724462 /nfs/dbraw/zinc/72/44/62/839724462.db2.gz VDXMYSWPJWDOTQ-BZNIZROVSA-N 1 1 395.253 3.820 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000610458537 840109221 /nfs/dbraw/zinc/10/92/21/840109221.db2.gz NNXNDZKQOCQVTB-ZWKOTPCHSA-N 1 1 396.491 3.962 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167434578 840187440 /nfs/dbraw/zinc/18/74/40/840187440.db2.gz WINSKDSGPXSIKU-CQSZACIVSA-N 1 1 391.830 3.890 20 5 GHBDMO COc1cc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1[N+](=O)[O-] ZINC000119351900 840344034 /nfs/dbraw/zinc/34/40/34/840344034.db2.gz KCMWUNHDWSGSIH-CYBMUJFWSA-N 1 1 380.404 3.589 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000053721382 840354910 /nfs/dbraw/zinc/35/49/10/840354910.db2.gz CQSLTPFZFNWLMX-UHFFFAOYSA-N 1 1 385.489 3.665 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000511739603 840578355 /nfs/dbraw/zinc/57/83/55/840578355.db2.gz DDENJLWAMRWHSU-FQEVSTJZSA-N 1 1 381.476 3.934 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000511763453 840675740 /nfs/dbraw/zinc/67/57/40/840675740.db2.gz SPQJBEWDNLOLRQ-LMMKCTJWSA-N 1 1 386.423 3.747 20 5 GHBDMO Cc1c(CC(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000124387985 840943552 /nfs/dbraw/zinc/94/35/52/840943552.db2.gz VKCNUBFOKIUCBS-HZPDHXFCSA-N 1 1 397.475 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000072716222 840988437 /nfs/dbraw/zinc/98/84/37/840988437.db2.gz GLWYQWXIBSULOW-SFHVURJKSA-N 1 1 375.469 3.655 20 5 GHBDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000106876459 841127534 /nfs/dbraw/zinc/12/75/34/841127534.db2.gz NIAFYPWMQCTCBR-CYBMUJFWSA-N 1 1 376.482 3.998 20 5 GHBDMO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000164246339 841149875 /nfs/dbraw/zinc/14/98/75/841149875.db2.gz XYKQIMNJXSCAFL-ZDUSSCGKSA-N 1 1 396.403 3.957 20 5 GHBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000164246339 841149878 /nfs/dbraw/zinc/14/98/78/841149878.db2.gz XYKQIMNJXSCAFL-ZDUSSCGKSA-N 1 1 396.403 3.957 20 5 GHBDMO O=[N+]([O-])c1c(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc2ncccc21 ZINC000302066627 861192419 /nfs/dbraw/zinc/19/24/19/861192419.db2.gz WIEWBHTWFAZUJT-SFHVURJKSA-N 1 1 392.459 3.712 20 5 GHBDMO COc1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc(Br)c1OC ZINC000105481087 841352277 /nfs/dbraw/zinc/35/22/77/841352277.db2.gz GYRKPXBRGAJGHK-UHFFFAOYSA-N 1 1 387.255 3.726 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510422506 841359223 /nfs/dbraw/zinc/35/92/23/841359223.db2.gz ADGGPFWJOAMLSN-GOSISDBHSA-N 1 1 393.447 3.529 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302129105 861212766 /nfs/dbraw/zinc/21/27/66/861212766.db2.gz BLDDMDHQYNWQNT-CVEARBPZSA-N 1 1 379.823 3.813 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302129105 861212787 /nfs/dbraw/zinc/21/27/87/861212787.db2.gz BLDDMDHQYNWQNT-CVEARBPZSA-N 1 1 379.823 3.813 20 5 GHBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000500171800 841568829 /nfs/dbraw/zinc/56/88/29/841568829.db2.gz LEZPCSBSTQJJOU-UHFFFAOYSA-N 1 1 397.475 3.600 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@H+]1C ZINC000123404711 841767232 /nfs/dbraw/zinc/76/72/32/841767232.db2.gz NFNACNUOWJHWFX-AEFFLSMTSA-N 1 1 396.491 3.762 20 5 GHBDMO C[C@H]([NH2+][C@@H](C)c1ccccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000181786565 841816730 /nfs/dbraw/zinc/81/67/30/841816730.db2.gz RKMOCZRHAKQTIR-STQMWFEESA-N 1 1 397.460 3.791 20 5 GHBDMO CCOc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000581699574 842054464 /nfs/dbraw/zinc/05/44/64/842054464.db2.gz NLTUYTHSWMRAGT-OALUTQOASA-N 1 1 381.476 3.952 20 5 GHBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126818422 842131154 /nfs/dbraw/zinc/13/11/54/842131154.db2.gz NCBSIMWHWNQUFW-AUUYWEPGSA-N 1 1 387.411 3.525 20 5 GHBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126818422 842131167 /nfs/dbraw/zinc/13/11/67/842131167.db2.gz NCBSIMWHWNQUFW-AUUYWEPGSA-N 1 1 387.411 3.525 20 5 GHBDMO COc1cc2c(cc1OC)CC[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000541998906 842163806 /nfs/dbraw/zinc/16/38/06/842163806.db2.gz PRBPPCATXKIRJV-UHFFFAOYSA-N 1 1 376.840 3.866 20 5 GHBDMO C[C@H]1C[N@H+](CCCNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCO1 ZINC000432361995 842184864 /nfs/dbraw/zinc/18/48/64/842184864.db2.gz GNKOVIIVQPMXDT-INIZCTEOSA-N 1 1 389.521 3.914 20 5 GHBDMO C[C@H]1C[N@@H+](CCCNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCO1 ZINC000432361995 842184871 /nfs/dbraw/zinc/18/48/71/842184871.db2.gz GNKOVIIVQPMXDT-INIZCTEOSA-N 1 1 389.521 3.914 20 5 GHBDMO CC(C)[C@H](CO)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000112657340 842358105 /nfs/dbraw/zinc/35/81/05/842358105.db2.gz HCSDVXRWSOGRCZ-IBGZPJMESA-N 1 1 396.447 3.664 20 5 GHBDMO CC(C)[C@H](CO)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000112657340 842358115 /nfs/dbraw/zinc/35/81/15/842358115.db2.gz HCSDVXRWSOGRCZ-IBGZPJMESA-N 1 1 396.447 3.664 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000512104126 842506122 /nfs/dbraw/zinc/50/61/22/842506122.db2.gz HKIJEFJACRHEOC-GJZGRUSLSA-N 1 1 399.447 3.560 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000512104126 842506133 /nfs/dbraw/zinc/50/61/33/842506133.db2.gz HKIJEFJACRHEOC-GJZGRUSLSA-N 1 1 399.447 3.560 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000512111285 842531877 /nfs/dbraw/zinc/53/18/77/842531877.db2.gz GHSCHRFKYYVXSG-PXNSSMCTSA-N 1 1 396.491 3.614 20 5 GHBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178302009 842776191 /nfs/dbraw/zinc/77/61/91/842776191.db2.gz WGDFCLLSQIKHLV-AEFFLSMTSA-N 1 1 385.489 3.783 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000430704191 842856382 /nfs/dbraw/zinc/85/63/82/842856382.db2.gz XCGREKORJIWCMN-QAPCUYQASA-N 1 1 392.459 3.859 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)cc1 ZINC000728900894 842920508 /nfs/dbraw/zinc/92/05/08/842920508.db2.gz SHSIUFUEWWONDA-GOSISDBHSA-N 1 1 378.432 3.914 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582715 843129184 /nfs/dbraw/zinc/12/91/84/843129184.db2.gz QMFLJRWPIHUDLH-MRXNPFEDSA-N 1 1 380.448 3.832 20 5 GHBDMO COc1cc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])cc1F ZINC000512243729 843196350 /nfs/dbraw/zinc/19/63/50/843196350.db2.gz KVSLSIOQPCHSJR-QFIPXVFZSA-N 1 1 399.466 3.841 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512246440 843212439 /nfs/dbraw/zinc/21/24/39/843212439.db2.gz UQISMWYJFTYBGB-JOCHJYFZSA-N 1 1 381.476 3.701 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000603919593 861401701 /nfs/dbraw/zinc/40/17/01/861401701.db2.gz QPLATPHDYRDLKD-JKSUJKDBSA-N 1 1 381.432 3.744 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247457013 843321826 /nfs/dbraw/zinc/32/18/26/843321826.db2.gz PZASWGBORSEORL-YJBOKZPZSA-N 1 1 388.493 3.539 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1 ZINC000510800843 843509488 /nfs/dbraw/zinc/50/94/88/843509488.db2.gz YBNJYXWZBCTQTE-UHFFFAOYSA-N 1 1 376.407 3.785 20 5 GHBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000131504652 861431604 /nfs/dbraw/zinc/43/16/04/861431604.db2.gz OOMYUNZOINYNAY-CYBMUJFWSA-N 1 1 383.370 3.858 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433273660 843945854 /nfs/dbraw/zinc/94/58/54/843945854.db2.gz RZXVFKUNOKNURW-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO C[NH+](C)Cc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1Cl ZINC000500777532 844006179 /nfs/dbraw/zinc/00/61/79/844006179.db2.gz HANBRYYARADKPI-UHFFFAOYSA-N 1 1 399.838 3.748 20 5 GHBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000279972254 844749662 /nfs/dbraw/zinc/74/96/62/844749662.db2.gz DBMKXQSPDHQPQC-MRXNPFEDSA-N 1 1 394.518 3.962 20 5 GHBDMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000500979091 844944988 /nfs/dbraw/zinc/94/49/88/844944988.db2.gz ALSZSEFHYIRJEL-KRWDZBQOSA-N 1 1 398.463 3.632 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000599680650 861519403 /nfs/dbraw/zinc/51/94/03/861519403.db2.gz VLHGEMKTGRGEMU-ZFWWWQNUSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000599680650 861519417 /nfs/dbraw/zinc/51/94/17/861519417.db2.gz VLHGEMKTGRGEMU-ZFWWWQNUSA-N 1 1 387.411 3.559 20 5 GHBDMO COC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599683236 861523215 /nfs/dbraw/zinc/52/32/15/861523215.db2.gz OMZCIKZTRDWEDB-DNVCBOLYSA-N 1 1 383.448 3.558 20 5 GHBDMO COC[C@@H](C)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21 ZINC000599683244 861523875 /nfs/dbraw/zinc/52/38/75/861523875.db2.gz OWMJYGNLSXHSTA-QVKFZJNVSA-N 1 1 398.459 3.986 20 5 GHBDMO CCOc1cc2c(cc1OCC)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000065223286 845082895 /nfs/dbraw/zinc/08/28/95/845082895.db2.gz BSFLLKVJWIMFLL-UHFFFAOYSA-N 1 1 386.448 3.829 20 5 GHBDMO CCOc1cc2c(cc1OCC)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000065223286 845082901 /nfs/dbraw/zinc/08/29/01/845082901.db2.gz BSFLLKVJWIMFLL-UHFFFAOYSA-N 1 1 386.448 3.829 20 5 GHBDMO COc1ccccc1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000065223009 845085292 /nfs/dbraw/zinc/08/52/92/845085292.db2.gz XLRQAUHWWOEJEL-FQEVSTJZSA-N 1 1 386.448 3.663 20 5 GHBDMO CCCCO[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000611560798 845431063 /nfs/dbraw/zinc/43/10/63/845431063.db2.gz YNKINUPJHOGRLH-QRVBRYPASA-N 1 1 386.496 3.991 20 5 GHBDMO C[C@H](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+](C)Cc1ccccc1 ZINC000472049600 845591917 /nfs/dbraw/zinc/59/19/17/845591917.db2.gz RXQRPVRCCDYBFE-OAHLLOKOSA-N 1 1 380.448 3.717 20 5 GHBDMO C[N@H+](Cc1cccc(Br)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000604016192 861587628 /nfs/dbraw/zinc/58/76/28/861587628.db2.gz KBJQNZZYUOMUQA-UHFFFAOYSA-N 1 1 393.237 3.856 20 5 GHBDMO C[N@@H+](Cc1cccc(Br)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000604016192 861587638 /nfs/dbraw/zinc/58/76/38/861587638.db2.gz KBJQNZZYUOMUQA-UHFFFAOYSA-N 1 1 393.237 3.856 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2CCCOC2)cc1OC ZINC000543846041 845765780 /nfs/dbraw/zinc/76/57/80/845765780.db2.gz YVIXDSHHGOSANX-JKSUJKDBSA-N 1 1 380.485 3.887 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCCCC2 ZINC001167540029 846108005 /nfs/dbraw/zinc/10/80/05/846108005.db2.gz UICFAZBVYMRYPU-RTBURBONSA-N 1 1 390.480 3.941 20 5 GHBDMO COc1cc(C[NH2+]Cc2cc(C)nc(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000421388473 846204222 /nfs/dbraw/zinc/20/42/22/846204222.db2.gz TWECLCLTYPYQGP-UHFFFAOYSA-N 1 1 381.379 3.549 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)CC)s2)cc1[N+](=O)[O-] ZINC000280182881 846324682 /nfs/dbraw/zinc/32/46/82/846324682.db2.gz RUNMVQHKTPJKRS-LBPRGKRZSA-N 1 1 398.506 3.699 20 5 GHBDMO C[C@@H](CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000551673470 846474316 /nfs/dbraw/zinc/47/43/16/846474316.db2.gz KRXDCBZECPNPMN-KRWDZBQOSA-N 1 1 383.492 3.899 20 5 GHBDMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413241397 847032514 /nfs/dbraw/zinc/03/25/14/847032514.db2.gz OBUAFPCZFPOTSO-HNNXBMFYSA-N 1 1 397.504 3.866 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127561259 847072584 /nfs/dbraw/zinc/07/25/84/847072584.db2.gz UQTVIZSPQBAGIY-SFHVURJKSA-N 1 1 378.375 3.812 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127561259 847072593 /nfs/dbraw/zinc/07/25/93/847072593.db2.gz UQTVIZSPQBAGIY-SFHVURJKSA-N 1 1 378.375 3.812 20 5 GHBDMO C[N@@H+](CCCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 ZINC000413350033 847236964 /nfs/dbraw/zinc/23/69/64/847236964.db2.gz UYNQZMKNQZBWJE-UHFFFAOYSA-N 1 1 382.333 3.930 20 5 GHBDMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511125447 847243406 /nfs/dbraw/zinc/24/34/06/847243406.db2.gz MVBYRFUXZDPOBV-CYBMUJFWSA-N 1 1 384.461 3.706 20 5 GHBDMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511125447 847243414 /nfs/dbraw/zinc/24/34/14/847243414.db2.gz MVBYRFUXZDPOBV-CYBMUJFWSA-N 1 1 384.461 3.706 20 5 GHBDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501869537 847276324 /nfs/dbraw/zinc/27/63/24/847276324.db2.gz ILZWFPMRJNWQFV-SFHVURJKSA-N 1 1 391.855 3.896 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000420940004 847558691 /nfs/dbraw/zinc/55/86/91/847558691.db2.gz CQMAYZJKJDRRKU-GFCCVEGCSA-N 1 1 389.374 3.596 20 5 GHBDMO CSc1cccc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000375726465 847937976 /nfs/dbraw/zinc/93/79/76/847937976.db2.gz WKRDCIKNHRNCHC-UHFFFAOYSA-N 1 1 387.461 3.704 20 5 GHBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000480011497 848021127 /nfs/dbraw/zinc/02/11/27/848021127.db2.gz IMEXUMPWXXCJDD-DOTOQJQBSA-N 1 1 377.485 3.736 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611709788 848105466 /nfs/dbraw/zinc/10/54/66/848105466.db2.gz KNAQZUVWFGEDNF-UHFFFAOYSA-N 1 1 391.475 3.886 20 5 GHBDMO CC[NH+](CC)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000029620797 862016101 /nfs/dbraw/zinc/01/61/01/862016101.db2.gz AQPSCQORKIOMRF-KRWDZBQOSA-N 1 1 397.522 3.555 20 5 GHBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@@H]1CCCc2ccccc21 ZINC000536003307 849727074 /nfs/dbraw/zinc/72/70/74/849727074.db2.gz PIZYERCUACJKFV-HXUWFJFHSA-N 1 1 379.460 3.537 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001143558685 849806348 /nfs/dbraw/zinc/80/63/48/849806348.db2.gz UORJUTYTFQOCSM-UHFFFAOYSA-N 1 1 399.466 3.647 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434907288 849889622 /nfs/dbraw/zinc/88/96/22/849889622.db2.gz WRYIJTVQRJQFTQ-MPGHIAIKSA-N 1 1 383.448 3.808 20 5 GHBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C2)C1 ZINC000505627480 850216908 /nfs/dbraw/zinc/21/69/08/850216908.db2.gz DACYYGDOVBMBPQ-QFIPXVFZSA-N 1 1 394.475 3.896 20 5 GHBDMO CC(C)[NH+]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000486966033 850306069 /nfs/dbraw/zinc/30/60/69/850306069.db2.gz KHCVYARVHYIFBB-UHFFFAOYSA-N 1 1 385.489 3.912 20 5 GHBDMO Cc1c(NC(=O)NCC[N@H+](C)C2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435327758 850359376 /nfs/dbraw/zinc/35/93/76/850359376.db2.gz IPLJGVHMYKBPJD-UHFFFAOYSA-N 1 1 399.289 3.662 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000514877470 850399881 /nfs/dbraw/zinc/39/98/81/850399881.db2.gz LQHYTXRECBXWKQ-HXUWFJFHSA-N 1 1 387.411 3.503 20 5 GHBDMO COCC[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426513296 850507215 /nfs/dbraw/zinc/50/72/15/850507215.db2.gz HJQUQBVODCXBJH-QGZVFWFLSA-N 1 1 390.411 3.764 20 5 GHBDMO COCC[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426513296 850507220 /nfs/dbraw/zinc/50/72/20/850507220.db2.gz HJQUQBVODCXBJH-QGZVFWFLSA-N 1 1 390.411 3.764 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H](C)c1cccc(O)c1 ZINC000174618533 850538049 /nfs/dbraw/zinc/53/80/49/850538049.db2.gz QIEDIQWZCBQHGA-CQSZACIVSA-N 1 1 387.436 3.721 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000439913790 850579042 /nfs/dbraw/zinc/57/90/42/850579042.db2.gz WZFUBRYFARSCNS-VQIMIIECSA-N 1 1 384.436 3.560 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000426529125 850579059 /nfs/dbraw/zinc/57/90/59/850579059.db2.gz JSFCZBQPPHYIHU-LPHOPBHVSA-N 1 1 398.459 3.833 20 5 GHBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCN(c2ccccc2)C1 ZINC000174680667 850681987 /nfs/dbraw/zinc/68/19/87/850681987.db2.gz YUOXIFZBUGATAN-IBGZPJMESA-N 1 1 393.447 3.746 20 5 GHBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCN(c2ccccc2)C1 ZINC000174680667 850681994 /nfs/dbraw/zinc/68/19/94/850681994.db2.gz YUOXIFZBUGATAN-IBGZPJMESA-N 1 1 393.447 3.746 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435836219 850899091 /nfs/dbraw/zinc/89/90/91/850899091.db2.gz PYCVNMWNLMUGQZ-OAHLLOKOSA-N 1 1 395.478 3.815 20 5 GHBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513881328 850969275 /nfs/dbraw/zinc/96/92/75/850969275.db2.gz NFGHXGKFDVPNMH-IBGZPJMESA-N 1 1 381.476 3.968 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000174909142 851076758 /nfs/dbraw/zinc/07/67/58/851076758.db2.gz JCKACMCOARRYCW-NRFANRHFSA-N 1 1 397.475 3.604 20 5 GHBDMO CO[C@@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000514085507 851222881 /nfs/dbraw/zinc/22/28/81/851222881.db2.gz XJDCIQIUWISIKQ-WBVHZDCISA-N 1 1 376.844 3.517 20 5 GHBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)c1ccccc1 ZINC000514088187 851227594 /nfs/dbraw/zinc/22/75/94/851227594.db2.gz KHFBHKNKSMKKMV-OXJNMPFZSA-N 1 1 379.464 3.532 20 5 GHBDMO C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@H+]1CCC[C@@H](C)C1 ZINC000436113435 851241349 /nfs/dbraw/zinc/24/13/49/851241349.db2.gz YVSDYONLNTYTSF-CABCVRRESA-N 1 1 395.478 3.671 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000481774137 862230252 /nfs/dbraw/zinc/23/02/52/862230252.db2.gz XIBYVDDPWHMPNG-MRXNPFEDSA-N 1 1 397.475 3.765 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000505787024 851443970 /nfs/dbraw/zinc/44/39/70/851443970.db2.gz JFMDYCRYPAZXOQ-HUUCEWRRSA-N 1 1 379.526 3.947 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000488529583 851586134 /nfs/dbraw/zinc/58/61/34/851586134.db2.gz JDBSPCJNFLGOSV-MAUKXSAKSA-N 1 1 399.516 3.957 20 5 GHBDMO Cc1ccc([C@@]2(C)CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000434742417 851610644 /nfs/dbraw/zinc/61/06/44/851610644.db2.gz NQROBNQVVVTVKU-QFIPXVFZSA-N 1 1 395.459 3.865 20 5 GHBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000028503108 851681909 /nfs/dbraw/zinc/68/19/09/851681909.db2.gz BYLIPWJGVWOPJN-UHFFFAOYSA-N 1 1 396.491 3.521 20 5 GHBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@@H](OCC)C1(C)C ZINC000303818845 851685661 /nfs/dbraw/zinc/68/56/61/851685661.db2.gz JREBVTJWMZDNQL-ZWKOTPCHSA-N 1 1 378.469 3.877 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000163099410 862277182 /nfs/dbraw/zinc/27/71/82/862277182.db2.gz LHVHKUNKRNLSEM-GOSISDBHSA-N 1 1 382.464 3.589 20 5 GHBDMO CC(=O)c1cc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000516220901 852281439 /nfs/dbraw/zinc/28/14/39/852281439.db2.gz FPEXOCHWYFKZNM-OAHLLOKOSA-N 1 1 383.448 3.630 20 5 GHBDMO CC(=O)c1cc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000516220901 852281442 /nfs/dbraw/zinc/28/14/42/852281442.db2.gz FPEXOCHWYFKZNM-OAHLLOKOSA-N 1 1 383.448 3.630 20 5 GHBDMO CCOCC[N@H+](CC)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000489424183 852321215 /nfs/dbraw/zinc/32/12/15/852321215.db2.gz PUFMNHNKMONDMB-FQEVSTJZSA-N 1 1 385.464 3.941 20 5 GHBDMO CCOCC[N@@H+](CC)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000489424183 852321226 /nfs/dbraw/zinc/32/12/26/852321226.db2.gz PUFMNHNKMONDMB-FQEVSTJZSA-N 1 1 385.464 3.941 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000489501573 852390404 /nfs/dbraw/zinc/39/04/04/852390404.db2.gz WXFDTNYZMNTKHU-FXAWDEMLSA-N 1 1 396.491 3.647 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000505924749 852615579 /nfs/dbraw/zinc/61/55/79/852615579.db2.gz KHOWRJNRWQUKGV-ROUUACIJSA-N 1 1 398.507 3.663 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507174749 852644625 /nfs/dbraw/zinc/64/46/25/852644625.db2.gz SKPHRSXEWBXKHR-FQEVSTJZSA-N 1 1 384.432 3.979 20 5 GHBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437842170 852762211 /nfs/dbraw/zinc/76/22/11/852762211.db2.gz MKIPRKIPERBEBQ-QGZVFWFLSA-N 1 1 377.510 3.600 20 5 GHBDMO COc1ccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000543891558 852820387 /nfs/dbraw/zinc/82/03/87/852820387.db2.gz VUYKPDBWDXMJTL-JKSUJKDBSA-N 1 1 398.463 3.730 20 5 GHBDMO COc1cc(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000509559023 852959481 /nfs/dbraw/zinc/95/94/81/852959481.db2.gz KHXCJSGRPWANTB-IBGZPJMESA-N 1 1 399.491 3.708 20 5 GHBDMO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000913062093 853044233 /nfs/dbraw/zinc/04/42/33/853044233.db2.gz HTSJURPAVGVDCS-OAHLLOKOSA-N 1 1 399.882 3.934 20 5 GHBDMO Cc1sc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140037259 853256385 /nfs/dbraw/zinc/25/63/85/853256385.db2.gz TWUMCBCNTATHCI-CYBMUJFWSA-N 1 1 379.507 3.668 20 5 GHBDMO O=C(CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000490828472 853280804 /nfs/dbraw/zinc/28/08/04/853280804.db2.gz QUBGYEUOOFRNJK-UHFFFAOYSA-N 1 1 375.375 3.866 20 5 GHBDMO COc1cc(C[N@@H+](C)C2Cc3ccccc3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491111926 853440759 /nfs/dbraw/zinc/44/07/59/853440759.db2.gz HXIABTHIVVAHMM-UHFFFAOYSA-N 1 1 392.402 3.847 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000517266946 853597333 /nfs/dbraw/zinc/59/73/33/853597333.db2.gz BAHLNZRXEXBXNB-GOSISDBHSA-N 1 1 397.475 3.636 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441373564 854157092 /nfs/dbraw/zinc/15/70/92/854157092.db2.gz BRRWDUWPTRAHRH-UONOGXRCSA-N 1 1 387.402 3.779 20 5 GHBDMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374095 854706222 /nfs/dbraw/zinc/70/62/22/854706222.db2.gz NUNAKUREVRAHPV-UONOGXRCSA-N 1 1 387.461 3.637 20 5 GHBDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374095 854706227 /nfs/dbraw/zinc/70/62/27/854706227.db2.gz NUNAKUREVRAHPV-UONOGXRCSA-N 1 1 387.461 3.637 20 5 GHBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000589209316 854751786 /nfs/dbraw/zinc/75/17/86/854751786.db2.gz FAQBWQCGRQYQCY-AWEZNQCLSA-N 1 1 389.839 3.738 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)c1 ZINC000589495751 854907993 /nfs/dbraw/zinc/90/79/93/854907993.db2.gz IKQKCQQYSUFNFJ-UHFFFAOYSA-N 1 1 384.432 3.733 20 5 GHBDMO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000441467529 855088590 /nfs/dbraw/zinc/08/85/90/855088590.db2.gz DXNKEMFFEJVSNI-LZQZEXGQSA-N 1 1 378.469 3.508 20 5 GHBDMO Cc1ccc(-c2noc([C@@H](C)[NH2+]CCOc3ccccc3[N+](=O)[O-])n2)cc1F ZINC000543545241 862642721 /nfs/dbraw/zinc/64/27/21/862642721.db2.gz RWRAKUNWCPACQS-CYBMUJFWSA-N 1 1 386.383 3.822 20 5 GHBDMO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000273332708 855280367 /nfs/dbraw/zinc/28/03/67/855280367.db2.gz JMMSSVLUARRQRL-LBPRGKRZSA-N 1 1 378.812 3.651 20 5 GHBDMO O=[N+]([O-])c1ccsc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000590145524 855297347 /nfs/dbraw/zinc/29/73/47/855297347.db2.gz FLQMDEAAGYHIJH-KRWDZBQOSA-N 1 1 387.505 3.997 20 5 GHBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)[C@@H]2C1 ZINC000590444257 855423588 /nfs/dbraw/zinc/42/35/88/855423588.db2.gz NJWYCCWIBMTEAV-KBXCAEBGSA-N 1 1 383.473 3.522 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000542684632 855425977 /nfs/dbraw/zinc/42/59/77/855425977.db2.gz XKXAJZDSFQOTKH-NSHDSACASA-N 1 1 392.456 3.699 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000542684632 855425979 /nfs/dbraw/zinc/42/59/79/855425979.db2.gz XKXAJZDSFQOTKH-NSHDSACASA-N 1 1 392.456 3.699 20 5 GHBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C2)C1 ZINC000553796246 855449274 /nfs/dbraw/zinc/44/92/74/855449274.db2.gz MBVPNESEWSAONT-OAQYLSRUSA-N 1 1 380.448 3.506 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000427604101 855791707 /nfs/dbraw/zinc/79/17/07/855791707.db2.gz XLPCGKPESNNAJK-CQSZACIVSA-N 1 1 399.413 3.884 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000198102813 855900431 /nfs/dbraw/zinc/90/04/31/855900431.db2.gz MSEMDBUUWJWUHT-MRXNPFEDSA-N 1 1 383.448 3.603 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000843776355 856118679 /nfs/dbraw/zinc/11/86/79/856118679.db2.gz MBRUAXZXRQYSFK-QGZVFWFLSA-N 1 1 385.439 3.684 20 5 GHBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000614660577 856162390 /nfs/dbraw/zinc/16/23/90/856162390.db2.gz DZFBCGIRJQQJNY-JOCHJYFZSA-N 1 1 389.411 3.951 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000760881303 856209647 /nfs/dbraw/zinc/20/96/47/856209647.db2.gz QHQZOSHTSPKRCO-FALVCHGGSA-N 1 1 393.487 3.881 20 5 GHBDMO CCCOc1ccc(CNC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429232267 856380666 /nfs/dbraw/zinc/38/06/66/856380666.db2.gz TTXAXBLJMMDVFN-UHFFFAOYSA-N 1 1 385.464 3.525 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485397854 856443820 /nfs/dbraw/zinc/44/38/20/856443820.db2.gz YZZMLUDQSQOKLK-INIZCTEOSA-N 1 1 384.455 3.964 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265650732 856483336 /nfs/dbraw/zinc/48/33/36/856483336.db2.gz ODRALLMKGHLLGI-CQSZACIVSA-N 1 1 394.903 3.526 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CC[C@H](O)CC1 ZINC000592133595 856662092 /nfs/dbraw/zinc/66/20/92/856662092.db2.gz YMXFGMCJZBZANJ-WGSAOQKQSA-N 1 1 398.459 3.672 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2CCC[C@H]2O)cc1OC ZINC000542915785 856784410 /nfs/dbraw/zinc/78/44/10/856784410.db2.gz OOOKLXCCYBRIBM-HDMKZQKVSA-N 1 1 380.485 3.621 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301670073 856930998 /nfs/dbraw/zinc/93/09/98/856930998.db2.gz NVZBCRAXZHDIBR-OAHLLOKOSA-N 1 1 399.495 3.725 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000173528520 856978840 /nfs/dbraw/zinc/97/88/40/856978840.db2.gz ZULYJBSSNLDHJL-BETUJISGSA-N 1 1 387.402 3.711 20 5 GHBDMO COc1ccc(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 ZINC000485795579 857082364 /nfs/dbraw/zinc/08/23/64/857082364.db2.gz SXIKESWOTBNWBG-UHFFFAOYSA-N 1 1 384.432 3.707 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000173695557 857092384 /nfs/dbraw/zinc/09/23/84/857092384.db2.gz FBRSETAOQWFBBB-CQSZACIVSA-N 1 1 382.420 3.716 20 5 GHBDMO COc1cc(C[NH+]2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000593073407 857336177 /nfs/dbraw/zinc/33/61/77/857336177.db2.gz SGTFAQZVKHPOPH-UHFFFAOYSA-N 1 1 392.349 3.869 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000593075712 857337261 /nfs/dbraw/zinc/33/72/61/857337261.db2.gz RFYQESRRHGJWHM-IFXJQAMLSA-N 1 1 391.468 3.537 20 5 GHBDMO Cc1ccc(C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C(C)C)s1 ZINC000065162034 857460307 /nfs/dbraw/zinc/46/03/07/857460307.db2.gz ZHBNRQNKFYIYGG-UHFFFAOYSA-N 1 1 391.449 3.543 20 5 GHBDMO Cc1ccc(C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C(C)C)s1 ZINC000065162034 857460312 /nfs/dbraw/zinc/46/03/12/857460312.db2.gz ZHBNRQNKFYIYGG-UHFFFAOYSA-N 1 1 391.449 3.543 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246837227 857475366 /nfs/dbraw/zinc/47/53/66/857475366.db2.gz ASNYTORLQLQXDM-RBBKRZOGSA-N 1 1 393.487 3.650 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486499513 857798251 /nfs/dbraw/zinc/79/82/51/857798251.db2.gz YAYYLFAHZZCOAW-HUUCEWRRSA-N 1 1 395.450 3.529 20 5 GHBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001128353214 857941001 /nfs/dbraw/zinc/94/10/01/857941001.db2.gz OMTNWVWTTOPBGA-FQEVSTJZSA-N 1 1 398.507 3.547 20 5 GHBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000046599294 858108999 /nfs/dbraw/zinc/10/89/99/858108999.db2.gz AMZNFAFSSPGODL-CYBMUJFWSA-N 1 1 385.247 3.773 20 5 GHBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000046599294 858109001 /nfs/dbraw/zinc/10/90/01/858109001.db2.gz AMZNFAFSSPGODL-CYBMUJFWSA-N 1 1 385.247 3.773 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000543053181 858113879 /nfs/dbraw/zinc/11/38/79/858113879.db2.gz ZEECTCZUCGPLTG-QGZVFWFLSA-N 1 1 399.447 3.514 20 5 GHBDMO COc1ccccc1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000158061979 858157511 /nfs/dbraw/zinc/15/75/11/858157511.db2.gz CFTXHAHYIFSMMI-MRXNPFEDSA-N 1 1 383.448 3.730 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000078881443 858286765 /nfs/dbraw/zinc/28/67/65/858286765.db2.gz JHPYDZXYHUNIDB-SJORKVTESA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000078881443 858286770 /nfs/dbraw/zinc/28/67/70/858286770.db2.gz JHPYDZXYHUNIDB-SJORKVTESA-N 1 1 399.516 3.808 20 5 GHBDMO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033195 858374850 /nfs/dbraw/zinc/37/48/50/858374850.db2.gz BOPDKPOFZQWYIJ-LSDHHAIUSA-N 1 1 392.477 3.507 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000521924661 858448089 /nfs/dbraw/zinc/44/80/89/858448089.db2.gz BQGVGMACJTXNSE-UHFFFAOYSA-N 1 1 380.448 3.846 20 5 GHBDMO C/C=C\c1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000046835979 858512661 /nfs/dbraw/zinc/51/26/61/858512661.db2.gz PJYGIVLFDFRHPC-GINYUPMKSA-N 1 1 386.448 3.508 20 5 GHBDMO C/C=C\c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000046835979 858512668 /nfs/dbraw/zinc/51/26/68/858512668.db2.gz PJYGIVLFDFRHPC-GINYUPMKSA-N 1 1 386.448 3.508 20 5 GHBDMO COC(=O)C[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccncc1 ZINC000595485737 858534103 /nfs/dbraw/zinc/53/41/03/858534103.db2.gz CJKLJITVIKLILW-KRWDZBQOSA-N 1 1 397.353 3.577 20 5 GHBDMO C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000543150477 858663768 /nfs/dbraw/zinc/66/37/68/858663768.db2.gz DVUNVWACRCFWIL-QWHCGFSZSA-N 1 1 385.917 3.719 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595784886 858686895 /nfs/dbraw/zinc/68/68/95/858686895.db2.gz CFNXJSDYWCVPGI-APWZRJJASA-N 1 1 375.469 3.513 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595829801 858702503 /nfs/dbraw/zinc/70/25/03/858702503.db2.gz YXDOCFZISPTKIZ-DNVCBOLYSA-N 1 1 393.447 3.917 20 5 GHBDMO C[C@@H](NC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596167118 858811381 /nfs/dbraw/zinc/81/13/81/858811381.db2.gz DHYZPVPIDZTTDH-UTKZUKDTSA-N 1 1 396.491 3.614 20 5 GHBDMO Cc1cc(N2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c([N+](=O)[O-])s1 ZINC000856535401 881347618 /nfs/dbraw/zinc/34/76/18/881347618.db2.gz XVVKKIAPOGRKBK-QGZVFWFLSA-N 1 1 390.509 3.858 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)c1ccccc1[N+](=O)[O-] ZINC000429261167 858855240 /nfs/dbraw/zinc/85/52/40/858855240.db2.gz AJMMAVPPRXXWGY-UHFFFAOYSA-N 1 1 388.424 3.807 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000160396692 858874301 /nfs/dbraw/zinc/87/43/01/858874301.db2.gz QCAGXWYBXBLCOF-MRXNPFEDSA-N 1 1 389.477 3.867 20 5 GHBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])sc2C1 ZINC000593176861 858887506 /nfs/dbraw/zinc/88/75/06/858887506.db2.gz YGZBZBXJGXPCHX-UHFFFAOYSA-N 1 1 392.456 3.528 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000429283011 858924161 /nfs/dbraw/zinc/92/41/61/858924161.db2.gz HRLBCXFHHIZROB-NSHDSACASA-N 1 1 376.425 3.780 20 5 GHBDMO COCCCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000509309491 859016875 /nfs/dbraw/zinc/01/68/75/859016875.db2.gz FPWXITMIQHMEGI-UHFFFAOYSA-N 1 1 389.521 3.868 20 5 GHBDMO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487432997 859027826 /nfs/dbraw/zinc/02/78/26/859027826.db2.gz XOZYLROWQQQQKO-SJLPKXTDSA-N 1 1 399.516 3.714 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000439322407 859054374 /nfs/dbraw/zinc/05/43/74/859054374.db2.gz VPKYSCMPTGPZGG-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000439322407 859054385 /nfs/dbraw/zinc/05/43/85/859054385.db2.gz VPKYSCMPTGPZGG-RDJZCZTQSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000543254235 859060895 /nfs/dbraw/zinc/06/08/95/859060895.db2.gz VCTCOYKVYQWZLB-QGZVFWFLSA-N 1 1 383.448 3.730 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000596953792 859193499 /nfs/dbraw/zinc/19/34/99/859193499.db2.gz CWYRKDFAWYCSDQ-NRFANRHFSA-N 1 1 396.491 3.789 20 5 GHBDMO C[C@@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000597094050 859281257 /nfs/dbraw/zinc/28/12/57/859281257.db2.gz AKZRPMYXUGNLLC-VXGBXAGGSA-N 1 1 395.891 3.605 20 5 GHBDMO COc1cc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597212307 859350146 /nfs/dbraw/zinc/35/01/46/859350146.db2.gz TZCJVKWJEOMLNB-XMSQKQJNSA-N 1 1 398.459 3.651 20 5 GHBDMO COc1cc([C@H](C)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc([N+](=O)[O-])c1 ZINC000903167518 859524885 /nfs/dbraw/zinc/52/48/85/859524885.db2.gz ZSAGSFSVFGEMPT-INIZCTEOSA-N 1 1 399.491 3.927 20 5 GHBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3c4ccccc4cc4ccccc43)C2)nn1 ZINC000761225331 859624540 /nfs/dbraw/zinc/62/45/40/859624540.db2.gz DFWPMLYSMGQUGI-GOSISDBHSA-N 1 1 386.455 3.818 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611196435 859638517 /nfs/dbraw/zinc/63/85/17/859638517.db2.gz TZRRQBLDXODTJN-MRXNPFEDSA-N 1 1 392.459 3.813 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[NH+](CC2CC2)CC1 ZINC000611201251 859648090 /nfs/dbraw/zinc/64/80/90/859648090.db2.gz JGHBOXDIHWRMFV-UHFFFAOYSA-N 1 1 389.521 3.797 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000474231877 859655075 /nfs/dbraw/zinc/65/50/75/859655075.db2.gz LVBPKXZURNOSGD-APWZRJJASA-N 1 1 397.431 3.703 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000474231877 859655080 /nfs/dbraw/zinc/65/50/80/859655080.db2.gz LVBPKXZURNOSGD-APWZRJJASA-N 1 1 397.431 3.703 20 5 GHBDMO C[C@H](c1ccsc1)[NH+]1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000764956969 859699352 /nfs/dbraw/zinc/69/93/52/859699352.db2.gz XBHNLADQQPCTRV-MRXNPFEDSA-N 1 1 397.504 3.856 20 5 GHBDMO CCN(Cc1ccc(C[NH+](C)C)cc1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764960783 859709582 /nfs/dbraw/zinc/70/95/82/859709582.db2.gz FJJANYUVKUICST-UHFFFAOYSA-N 1 1 381.480 3.794 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCc3cc(OC)c(OC)cc3C2)c([N+](=O)[O-])c1 ZINC001170348223 881472627 /nfs/dbraw/zinc/47/26/27/881472627.db2.gz VTSWJLOPLIOUAB-CQSZACIVSA-N 1 1 386.448 3.610 20 5 GHBDMO CC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000474343211 859887107 /nfs/dbraw/zinc/88/71/07/859887107.db2.gz BITHHEYYZQSVGY-INIZCTEOSA-N 1 1 394.374 3.666 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CCc3c([nH]nc3C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170351491 881485855 /nfs/dbraw/zinc/48/58/55/881485855.db2.gz CRSCXALCKKLZKO-MGPLVRAMSA-N 1 1 384.358 3.891 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170351491 881485863 /nfs/dbraw/zinc/48/58/63/881485863.db2.gz CRSCXALCKKLZKO-MGPLVRAMSA-N 1 1 384.358 3.891 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000252735626 860006092 /nfs/dbraw/zinc/00/60/92/860006092.db2.gz PIKFBWAWCGZOTO-IAGOWNOFSA-N 1 1 396.491 3.870 20 5 GHBDMO O=C(CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000602453376 860028609 /nfs/dbraw/zinc/02/86/09/860028609.db2.gz LIIUVDMEFBGIQX-UHFFFAOYSA-N 1 1 399.413 3.838 20 5 GHBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602453407 860028677 /nfs/dbraw/zinc/02/86/77/860028677.db2.gz IOJQFJJISPRRFN-ZDUSSCGKSA-N 1 1 387.402 3.742 20 5 GHBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602453405 860028709 /nfs/dbraw/zinc/02/87/09/860028709.db2.gz IOJQFJJISPRRFN-CYBMUJFWSA-N 1 1 387.402 3.742 20 5 GHBDMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000154272355 860044211 /nfs/dbraw/zinc/04/42/11/860044211.db2.gz HMLJONGOPKJKMR-HNNXBMFYSA-N 1 1 384.432 3.700 20 5 GHBDMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000154297588 860053593 /nfs/dbraw/zinc/05/35/93/860053593.db2.gz HYFVQDZFNYORDM-HNNXBMFYSA-N 1 1 384.432 3.700 20 5 GHBDMO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000154323041 860067807 /nfs/dbraw/zinc/06/78/07/860067807.db2.gz LKFOPKXFHATJOM-OAHLLOKOSA-N 1 1 384.432 3.700 20 5 GHBDMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000154323041 860067820 /nfs/dbraw/zinc/06/78/20/860067820.db2.gz LKFOPKXFHATJOM-OAHLLOKOSA-N 1 1 384.432 3.700 20 5 GHBDMO COc1cc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000092661011 860099013 /nfs/dbraw/zinc/09/90/13/860099013.db2.gz QJQZHJCUONJRHY-UHFFFAOYSA-N 1 1 390.411 3.795 20 5 GHBDMO C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598195809 860123846 /nfs/dbraw/zinc/12/38/46/860123846.db2.gz TWNZQPAQXTYHCP-APWZRJJASA-N 1 1 399.466 3.613 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474489907 860194316 /nfs/dbraw/zinc/19/43/16/860194316.db2.gz BUKNVGDLXNOIQO-FQEVSTJZSA-N 1 1 385.439 3.747 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474489907 860194324 /nfs/dbraw/zinc/19/43/24/860194324.db2.gz BUKNVGDLXNOIQO-FQEVSTJZSA-N 1 1 385.439 3.747 20 5 GHBDMO COc1ccccc1CC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093105064 860210770 /nfs/dbraw/zinc/21/07/70/860210770.db2.gz IHWCLAVXFGROFM-UHFFFAOYSA-N 1 1 380.448 3.678 20 5 GHBDMO C[C@@H]1CC2(C[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1)CCOCC2 ZINC000602701105 860219545 /nfs/dbraw/zinc/21/95/45/860219545.db2.gz AJYNQXUJYXYDGQ-SNVBAGLBSA-N 1 1 375.288 3.810 20 5 GHBDMO C[C@@H]1CC2(C[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1)CCOCC2 ZINC000602701105 860219554 /nfs/dbraw/zinc/21/95/54/860219554.db2.gz AJYNQXUJYXYDGQ-SNVBAGLBSA-N 1 1 375.288 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)nc1 ZINC000093534389 860297635 /nfs/dbraw/zinc/29/76/35/860297635.db2.gz WJZJSHWEMITIIA-IBGZPJMESA-N 1 1 375.432 3.738 20 5 GHBDMO CC1=Nc2ccccc2C12CC[NH+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000602858859 860316627 /nfs/dbraw/zinc/31/66/27/860316627.db2.gz CEUBUGDLIVBCNU-UHFFFAOYSA-N 1 1 378.432 3.673 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@]3(CCOC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093820735 860357561 /nfs/dbraw/zinc/35/75/61/860357561.db2.gz YLJBOXCWCQAGEP-QFIPXVFZSA-N 1 1 398.459 3.795 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155054176 860379987 /nfs/dbraw/zinc/37/99/87/860379987.db2.gz FAPJTALZHKYNGA-KRWDZBQOSA-N 1 1 398.463 3.509 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccncc3[N+](=O)[O-])cc2)C1 ZINC000124683595 860469104 /nfs/dbraw/zinc/46/91/04/860469104.db2.gz DZGIWQJWMCLTIH-HNNXBMFYSA-N 1 1 383.452 3.543 20 5 GHBDMO Cc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)[nH+]c1 ZINC000301407082 860471900 /nfs/dbraw/zinc/47/19/00/860471900.db2.gz VLXIRJNEIWGVSG-UHFFFAOYSA-N 1 1 378.379 3.981 20 5 GHBDMO O=C([C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)N1CCCC1 ZINC000537629140 881564716 /nfs/dbraw/zinc/56/47/16/881564716.db2.gz VUSZIMJUGFBREZ-KRWDZBQOSA-N 1 1 383.448 3.689 20 5 GHBDMO O=[N+]([O-])c1c(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc2cnccc21 ZINC000599066596 860773408 /nfs/dbraw/zinc/77/34/08/860773408.db2.gz SUGZFVIQNGPAAI-LJQANCHMSA-N 1 1 392.459 3.712 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599078072 860783635 /nfs/dbraw/zinc/78/36/35/860783635.db2.gz GGEFAHCSFJNTBY-ZDUSSCGKSA-N 1 1 398.301 3.599 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000125873202 860806831 /nfs/dbraw/zinc/80/68/31/860806831.db2.gz NACIVPWUPIRRDU-INIZCTEOSA-N 1 1 385.464 3.803 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2cccc([N+](=O)[O-])c2)CC1 ZINC000509080973 860868688 /nfs/dbraw/zinc/86/86/88/860868688.db2.gz JAQLZQKHRSASKH-INIZCTEOSA-N 1 1 385.489 3.592 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000111261452 861065604 /nfs/dbraw/zinc/06/56/04/861065604.db2.gz VUNPESRRJFUYAI-UHFFFAOYSA-N 1 1 397.475 3.771 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000439693760 863394519 /nfs/dbraw/zinc/39/45/19/863394519.db2.gz HACDWKZOUVBEGZ-CQSZACIVSA-N 1 1 398.301 3.598 20 5 GHBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000172842733 864024285 /nfs/dbraw/zinc/02/42/85/864024285.db2.gz GFNZAYXJQSOFAH-KRWDZBQOSA-N 1 1 388.512 3.532 20 5 GHBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734145309 864033800 /nfs/dbraw/zinc/03/38/00/864033800.db2.gz NNANZYHWRGJSIT-LJQANCHMSA-N 1 1 394.475 3.564 20 5 GHBDMO O=C(CCNc1ccccc1[N+](=O)[O-])OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000734300129 864133543 /nfs/dbraw/zinc/13/35/43/864133543.db2.gz MABMEFCRAUFQQG-LJQANCHMSA-N 1 1 397.475 3.852 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC=C(c3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000475092586 864145069 /nfs/dbraw/zinc/14/50/69/864145069.db2.gz LYOUSABMUXBPLU-UHFFFAOYSA-N 1 1 396.443 3.744 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CC=C(c3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000475092586 864145075 /nfs/dbraw/zinc/14/50/75/864145075.db2.gz LYOUSABMUXBPLU-UHFFFAOYSA-N 1 1 396.443 3.744 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c([N+](=O)[O-])c1 ZINC000792870714 881741902 /nfs/dbraw/zinc/74/19/02/881741902.db2.gz JLIUUKYNVDGWKG-INIZCTEOSA-N 1 1 381.392 3.517 20 5 GHBDMO CC(=O)c1ccc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c([N+](=O)[O-])c1 ZINC000063248336 864433600 /nfs/dbraw/zinc/43/36/00/864433600.db2.gz FIUKOTKKQRPUCZ-HNNXBMFYSA-N 1 1 383.448 3.630 20 5 GHBDMO CC(=O)c1ccc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c([N+](=O)[O-])c1 ZINC000063248336 864433613 /nfs/dbraw/zinc/43/36/13/864433613.db2.gz FIUKOTKKQRPUCZ-HNNXBMFYSA-N 1 1 383.448 3.630 20 5 GHBDMO Cc1c(Cl)cccc1N1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792881694 881770842 /nfs/dbraw/zinc/77/08/42/881770842.db2.gz ANNBUNGGQZRJMQ-FQEVSTJZSA-N 1 1 389.883 3.802 20 5 GHBDMO CC1(C)OCc2cc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)ccc2O1 ZINC000186287936 864645682 /nfs/dbraw/zinc/64/56/82/864645682.db2.gz XBHXCKGANFHKAX-UHFFFAOYSA-N 1 1 383.448 3.562 20 5 GHBDMO CSc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475310120 864760316 /nfs/dbraw/zinc/76/03/16/864760316.db2.gz ANCUJEPALNQPQV-KRWDZBQOSA-N 1 1 385.489 3.663 20 5 GHBDMO CCOC(=O)CCCCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792915617 881809231 /nfs/dbraw/zinc/80/92/31/881809231.db2.gz UYNKBTWYKVHBHM-UHFFFAOYSA-N 1 1 399.285 3.839 20 5 GHBDMO CCOC(=O)CCCCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792915617 881809241 /nfs/dbraw/zinc/80/92/41/881809241.db2.gz UYNKBTWYKVHBHM-UHFFFAOYSA-N 1 1 399.285 3.839 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3C)CC[N@H+]2C)cc1 ZINC000735900632 865041349 /nfs/dbraw/zinc/04/13/49/865041349.db2.gz IUMORXPNCKQBFO-OXQOHEQNSA-N 1 1 384.432 3.762 20 5 GHBDMO COc1ccc([C@H]2[C@@H](COC(=O)c3cc([N+](=O)[O-])ccc3C)CC[N@H+]2C)cc1 ZINC000735902259 865042015 /nfs/dbraw/zinc/04/20/15/865042015.db2.gz DEOMUYHLHCEHHF-UZLBHIALSA-N 1 1 384.432 3.762 20 5 GHBDMO COc1ccc([C@H]2[C@@H](COC(=O)c3cccc(C)c3[N+](=O)[O-])CC[N@H+]2C)cc1 ZINC000735902588 865043523 /nfs/dbraw/zinc/04/35/23/865043523.db2.gz FEFRBNGEJXXNRF-UZLBHIALSA-N 1 1 384.432 3.762 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185005724 865111337 /nfs/dbraw/zinc/11/13/37/865111337.db2.gz WFRCMMZZKOJGCC-OAHLLOKOSA-N 1 1 387.455 3.994 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CCc2ccccc2)C2CCCC2)c1 ZINC000063754776 865302336 /nfs/dbraw/zinc/30/23/36/865302336.db2.gz KQNGIGMBSVQPDJ-OAQYLSRUSA-N 1 1 384.476 3.822 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000716275981 865384403 /nfs/dbraw/zinc/38/44/03/865384403.db2.gz DUMSCTCDICUCRF-AUUYWEPGSA-N 1 1 387.867 3.889 20 5 GHBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccc(OCc3ccccc3F)nc1)CC2 ZINC000480866633 865413737 /nfs/dbraw/zinc/41/37/37/865413737.db2.gz KCUPAYXAYAEHBC-UHFFFAOYSA-N 1 1 394.406 3.661 20 5 GHBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccc(OCc3ccccc3F)nc1)CC2 ZINC000480866633 865413743 /nfs/dbraw/zinc/41/37/43/865413743.db2.gz KCUPAYXAYAEHBC-UHFFFAOYSA-N 1 1 394.406 3.661 20 5 GHBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)C[C@H](C)O1 ZINC000608870374 865771557 /nfs/dbraw/zinc/77/15/57/865771557.db2.gz CUZLWRVNKNSPRX-KBPBESRZSA-N 1 1 387.411 3.595 20 5 GHBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000608915842 865811883 /nfs/dbraw/zinc/81/18/83/865811883.db2.gz MOBLMDYSHPPHOF-ZACQAIPSSA-N 1 1 390.528 3.537 20 5 GHBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000608915559 865813153 /nfs/dbraw/zinc/81/31/53/865813153.db2.gz KEYIJALYIUWRTA-JKSUJKDBSA-N 1 1 399.495 3.623 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000740803036 866015624 /nfs/dbraw/zinc/01/56/24/866015624.db2.gz MCUCKPXGLUVRGO-ADYSOMBNSA-N 1 1 379.460 3.731 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000740803037 866016463 /nfs/dbraw/zinc/01/64/63/866016463.db2.gz MCUCKPXGLUVRGO-GFBZKKKVSA-N 1 1 379.460 3.731 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000475530260 866204971 /nfs/dbraw/zinc/20/49/71/866204971.db2.gz MKJGZEAPTAJGSA-QGZVFWFLSA-N 1 1 394.475 3.970 20 5 GHBDMO COc1ccccc1C[C@@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000475530260 866204990 /nfs/dbraw/zinc/20/49/90/866204990.db2.gz MKJGZEAPTAJGSA-QGZVFWFLSA-N 1 1 394.475 3.970 20 5 GHBDMO Cc1c(CNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000478793746 866644057 /nfs/dbraw/zinc/64/40/57/866644057.db2.gz JFAPDHCJICVFEH-LPHOPBHVSA-N 1 1 382.464 3.538 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@@H](COCc4ccccc4)C3)c2)cc1 ZINC000742177418 867137946 /nfs/dbraw/zinc/13/79/46/867137946.db2.gz FSVSAFMPGNEPLO-LJQANCHMSA-N 1 1 392.459 3.955 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cccs3)CC2)c(Br)c1 ZINC000742395685 867260322 /nfs/dbraw/zinc/26/03/22/867260322.db2.gz FHRUSKVRIJLNIZ-UHFFFAOYSA-N 1 1 396.310 3.784 20 5 GHBDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)c2)C1 ZINC000857165384 882072241 /nfs/dbraw/zinc/07/22/41/882072241.db2.gz WQIYLYJRUXYCOR-HNNXBMFYSA-N 1 1 379.420 3.533 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248782283 867364419 /nfs/dbraw/zinc/36/44/19/867364419.db2.gz IAVHLXZSFMBIAK-QMMLZNLJSA-N 1 1 381.476 3.725 20 5 GHBDMO COc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000920404408 882082889 /nfs/dbraw/zinc/08/28/89/882082889.db2.gz CZGRABQXWNEJLH-LBPRGKRZSA-N 1 1 377.828 3.888 20 5 GHBDMO COc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000920404408 882082899 /nfs/dbraw/zinc/08/28/99/882082899.db2.gz CZGRABQXWNEJLH-LBPRGKRZSA-N 1 1 377.828 3.888 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1c1ccccc1C(F)(F)F ZINC000479414730 867739935 /nfs/dbraw/zinc/73/99/35/867739935.db2.gz GAYORYQQMGSPPO-HNNXBMFYSA-N 1 1 397.328 3.648 20 5 GHBDMO Cc1ccc(N2CC[C@H]([NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1 ZINC000743862763 868479472 /nfs/dbraw/zinc/47/94/72/868479472.db2.gz LWQAXHLSAFCVTL-NRFANRHFSA-N 1 1 395.459 3.552 20 5 GHBDMO COCCC[N@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000109260587 882235947 /nfs/dbraw/zinc/23/59/47/882235947.db2.gz NKCWVWLODGAJOC-GOSISDBHSA-N 1 1 391.855 3.896 20 5 GHBDMO COCCC[N@@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000109260587 882235961 /nfs/dbraw/zinc/23/59/61/882235961.db2.gz NKCWVWLODGAJOC-GOSISDBHSA-N 1 1 391.855 3.896 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000535558985 868986486 /nfs/dbraw/zinc/98/64/86/868986486.db2.gz PSZUYUGJNJVJCT-MDKPJZGXSA-N 1 1 397.475 3.676 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000535558985 868986489 /nfs/dbraw/zinc/98/64/89/868986489.db2.gz PSZUYUGJNJVJCT-MDKPJZGXSA-N 1 1 397.475 3.676 20 5 GHBDMO C[C@H](C1CC1)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000029842756 869209881 /nfs/dbraw/zinc/20/98/81/869209881.db2.gz FVACDYQBKVYYCP-CQSZACIVSA-N 1 1 397.431 3.563 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000440909637 869218990 /nfs/dbraw/zinc/21/89/90/869218990.db2.gz AXCOWNHYCRJWNZ-YOEHRIQHSA-N 1 1 380.448 3.693 20 5 GHBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539697991 869626337 /nfs/dbraw/zinc/62/63/37/869626337.db2.gz IEQPYPSOQFVICN-DOTOQJQBSA-N 1 1 394.834 3.669 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539697991 869626340 /nfs/dbraw/zinc/62/63/40/869626340.db2.gz IEQPYPSOQFVICN-DOTOQJQBSA-N 1 1 394.834 3.669 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000524890433 869734804 /nfs/dbraw/zinc/73/48/04/869734804.db2.gz DXIUBVYAAULPDB-BBRMVZONSA-N 1 1 388.493 3.663 20 5 GHBDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000539824908 869831996 /nfs/dbraw/zinc/83/19/96/869831996.db2.gz KHYHQKOOICQCIF-UHFFFAOYSA-N 1 1 386.448 3.530 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3csc(-c4ccccc4)n3)C2)nc1 ZINC000539835789 869875040 /nfs/dbraw/zinc/87/50/40/869875040.db2.gz VPVLBYIVOLLZBH-OAHLLOKOSA-N 1 1 381.461 3.800 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)nc1 ZINC000539835789 869875050 /nfs/dbraw/zinc/87/50/50/869875050.db2.gz VPVLBYIVOLLZBH-OAHLLOKOSA-N 1 1 381.461 3.800 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Br ZINC000539836613 869877242 /nfs/dbraw/zinc/87/72/42/869877242.db2.gz SFQDPIKEVWBNFG-AWEZNQCLSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Br ZINC000539836613 869877247 /nfs/dbraw/zinc/87/72/47/869877247.db2.gz SFQDPIKEVWBNFG-AWEZNQCLSA-N 1 1 391.269 3.747 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2SC)cc1[N+](=O)[O-] ZINC000524991426 869885845 /nfs/dbraw/zinc/88/58/45/869885845.db2.gz WYYHKVHJBKQDGV-UHFFFAOYSA-N 1 1 392.477 3.975 20 5 GHBDMO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2SC)cc1[N+](=O)[O-] ZINC000524991426 869885859 /nfs/dbraw/zinc/88/58/59/869885859.db2.gz WYYHKVHJBKQDGV-UHFFFAOYSA-N 1 1 392.477 3.975 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000462752835 870001306 /nfs/dbraw/zinc/00/13/06/870001306.db2.gz JFSIAUILGPIOJY-GOSISDBHSA-N 1 1 375.513 3.934 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCS[C@H]4COCC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000539909997 870009817 /nfs/dbraw/zinc/00/98/17/870009817.db2.gz MHOJBMYKIDMDDE-APWZRJJASA-N 1 1 390.461 3.570 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000540016271 870205003 /nfs/dbraw/zinc/20/50/03/870205003.db2.gz AXTKEUZMCWTQLH-LSDHHAIUSA-N 1 1 399.447 3.560 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000540016271 870205012 /nfs/dbraw/zinc/20/50/12/870205012.db2.gz AXTKEUZMCWTQLH-LSDHHAIUSA-N 1 1 399.447 3.560 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)c1 ZINC000460135925 870222524 /nfs/dbraw/zinc/22/25/24/870222524.db2.gz DOKVTRIMZNNTLZ-HOTGVXAUSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)c1 ZINC000460135927 870230022 /nfs/dbraw/zinc/23/00/22/870230022.db2.gz DOKVTRIMZNNTLZ-HZPDHXFCSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Br)c1 ZINC000538738573 870495614 /nfs/dbraw/zinc/49/56/14/870495614.db2.gz DXZCYQIQHYHSBC-AWEZNQCLSA-N 1 1 391.269 3.747 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Br)c1 ZINC000538738573 870495623 /nfs/dbraw/zinc/49/56/23/870495623.db2.gz DXZCYQIQHYHSBC-AWEZNQCLSA-N 1 1 391.269 3.747 20 5 GHBDMO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000446833532 870511618 /nfs/dbraw/zinc/51/16/18/870511618.db2.gz TVGGSSBKUBDPEV-OAHLLOKOSA-N 1 1 394.518 3.722 20 5 GHBDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000446833532 870511632 /nfs/dbraw/zinc/51/16/32/870511632.db2.gz TVGGSSBKUBDPEV-OAHLLOKOSA-N 1 1 394.518 3.722 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC001192636596 870582441 /nfs/dbraw/zinc/58/24/41/870582441.db2.gz YBGQQNLGOXSXRT-LLVKDONJSA-N 1 1 397.353 3.933 20 5 GHBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000461620267 870643846 /nfs/dbraw/zinc/64/38/46/870643846.db2.gz OCXQODRDFQKBQK-CQSZACIVSA-N 1 1 383.467 3.671 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)N3CCCCc4ccc([N+](=O)[O-])cc43)CC2)[nH+]c1 ZINC000857666500 882451011 /nfs/dbraw/zinc/45/10/11/882451011.db2.gz UXLGPHQNMNXTES-UHFFFAOYSA-N 1 1 394.475 3.884 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)cs1 ZINC000237976973 882451242 /nfs/dbraw/zinc/45/12/42/882451242.db2.gz YQMRJWOLLHFUIC-UHFFFAOYSA-N 1 1 385.445 3.799 20 5 GHBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)c1 ZINC000441192148 870978393 /nfs/dbraw/zinc/97/83/93/870978393.db2.gz FXCGTZWXQZPSJH-UHFFFAOYSA-N 1 1 395.381 3.858 20 5 GHBDMO O=[N+]([O-])c1ccc(CN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000429698542 871048490 /nfs/dbraw/zinc/04/84/90/871048490.db2.gz NRLJZJLCVDJPTR-QHCPKHFHSA-N 1 1 395.503 3.850 20 5 GHBDMO CC(C)[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001169010008 871094753 /nfs/dbraw/zinc/09/47/53/871094753.db2.gz AGWKRHANCJTUKJ-KSZLIROESA-N 1 1 383.533 3.932 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011917 871095688 /nfs/dbraw/zinc/09/56/88/871095688.db2.gz NJVAEXVENJLZNE-ABSDTBQOSA-N 1 1 381.517 3.687 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)[C@]2(c3ccccc3)CCCCC2=O)c([N+](=O)[O-])c1 ZINC001193461911 871111512 /nfs/dbraw/zinc/11/15/12/871111512.db2.gz RCQASVRJEMAULB-QFIPXVFZSA-N 1 1 398.459 3.953 20 5 GHBDMO CC(C)C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169057971 871144340 /nfs/dbraw/zinc/14/43/40/871144340.db2.gz ZVFRSXRZDWXAKA-FGTMMUONSA-N 1 1 383.533 3.789 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001193725379 871244130 /nfs/dbraw/zinc/24/41/30/871244130.db2.gz SUAMELBEXHKXMM-MRXNPFEDSA-N 1 1 386.349 3.689 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001193725379 871244171 /nfs/dbraw/zinc/24/41/71/871244171.db2.gz SUAMELBEXHKXMM-MRXNPFEDSA-N 1 1 386.349 3.689 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000463278549 871315241 /nfs/dbraw/zinc/31/52/41/871315241.db2.gz NRHYDYBQPCYADC-UZLBHIALSA-N 1 1 396.491 3.650 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])c1 ZINC000441246489 871513518 /nfs/dbraw/zinc/51/35/18/871513518.db2.gz OZUWWXUKYOCBSO-UHFFFAOYSA-N 1 1 385.464 3.714 20 5 GHBDMO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2c(cc1Br)OCCO2 ZINC000069787675 871534019 /nfs/dbraw/zinc/53/40/19/871534019.db2.gz OYXPWRPBKQIAFW-LLVKDONJSA-N 1 1 393.237 3.979 20 5 GHBDMO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)cc1OC(F)F ZINC000462092343 871610909 /nfs/dbraw/zinc/61/09/09/871610909.db2.gz WIFIBVDTFRPZLP-UHFFFAOYSA-N 1 1 393.390 3.641 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000618462266 871628439 /nfs/dbraw/zinc/62/84/39/871628439.db2.gz MGIJWVIGACRYRJ-KRWDZBQOSA-N 1 1 387.867 3.903 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462192343 871821760 /nfs/dbraw/zinc/82/17/60/871821760.db2.gz BLAOUEICJPJMHQ-FTRWYGJKSA-N 1 1 399.516 3.712 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000552067365 871971673 /nfs/dbraw/zinc/97/16/73/871971673.db2.gz HZNNPVAOECWSJE-GOSISDBHSA-N 1 1 390.365 3.667 20 5 GHBDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182258023 872090062 /nfs/dbraw/zinc/09/00/62/872090062.db2.gz MELYQINZJFDECE-CABCVRRESA-N 1 1 393.509 3.916 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c2ccncc21 ZINC000619073762 872281176 /nfs/dbraw/zinc/28/11/76/872281176.db2.gz SPXOQZUPXBNVRV-UHFFFAOYSA-N 1 1 387.443 3.947 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000478028792 872377245 /nfs/dbraw/zinc/37/72/45/872377245.db2.gz UWHNUXIBNPDCMR-QZTJIDSGSA-N 1 1 375.469 3.511 20 5 GHBDMO CSc1ccc(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001127693952 872702802 /nfs/dbraw/zinc/70/28/02/872702802.db2.gz YDYCYCCHWUXHNG-UHFFFAOYSA-N 1 1 387.505 3.957 20 5 GHBDMO Cc1c(C[NH2+][C@@H](CCO)c2ccccc2Br)cccc1[N+](=O)[O-] ZINC000541019219 872770394 /nfs/dbraw/zinc/77/03/94/872770394.db2.gz CJDFUIYDXPLLNG-INIZCTEOSA-N 1 1 379.254 3.879 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000460355512 872935063 /nfs/dbraw/zinc/93/50/63/872935063.db2.gz XNMRYWZFMPAQFG-OEWRPIJISA-N 1 1 383.492 3.720 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768716434 873515774 /nfs/dbraw/zinc/51/57/74/873515774.db2.gz MHXZDKNJNVEIAD-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001197077483 873583225 /nfs/dbraw/zinc/58/32/25/873583225.db2.gz LPIBDCKGSPYQMR-HXUWFJFHSA-N 1 1 389.402 3.569 20 5 GHBDMO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768866635 873629942 /nfs/dbraw/zinc/62/99/42/873629942.db2.gz NKVFHDMQWFXHFW-CYBMUJFWSA-N 1 1 395.506 3.832 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768866635 873629948 /nfs/dbraw/zinc/62/99/48/873629948.db2.gz NKVFHDMQWFXHFW-CYBMUJFWSA-N 1 1 395.506 3.832 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)ccc1[N+](=O)[O-] ZINC000858050140 882788499 /nfs/dbraw/zinc/78/84/99/882788499.db2.gz DADXSSFLLLUZTM-GOSISDBHSA-N 1 1 383.448 3.919 20 5 GHBDMO COc1ccc(C[N@H+]2CCOC[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000769455711 874081527 /nfs/dbraw/zinc/08/15/27/874081527.db2.gz JNLQNRKCAQZIKX-INIZCTEOSA-N 1 1 386.448 3.651 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC(c4cccc(F)c4F)CC3)n2)cc1 ZINC000769782647 874287336 /nfs/dbraw/zinc/28/73/36/874287336.db2.gz UHZNGXAWIWPOKO-UHFFFAOYSA-N 1 1 399.401 3.969 20 5 GHBDMO CCOC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)C1 ZINC000769989676 874388251 /nfs/dbraw/zinc/38/82/51/874388251.db2.gz WHYAOFDMPRQPIE-HNAYVOBHSA-N 1 1 387.436 3.660 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464785101 874491414 /nfs/dbraw/zinc/49/14/14/874491414.db2.gz LSJZAQARCSYYRO-QINHECLXSA-N 1 1 389.496 3.521 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H]3[C@H]3CCCOC3)s2)cc1 ZINC000449437068 874889944 /nfs/dbraw/zinc/88/99/44/874889944.db2.gz YOXVZCNLKINUAV-WDYCEAGBSA-N 1 1 388.489 3.685 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cnnn3Cc3ccccc3)C2)cc1 ZINC000449498888 874956890 /nfs/dbraw/zinc/95/68/90/874956890.db2.gz LIQNZYLXAFQENZ-LJQANCHMSA-N 1 1 377.448 3.614 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(-c2ccncc2)n1 ZINC000449506243 874970650 /nfs/dbraw/zinc/97/06/50/874970650.db2.gz YUJFRWMTXHZALS-GOSISDBHSA-N 1 1 377.448 3.770 20 5 GHBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542208661 875183354 /nfs/dbraw/zinc/18/33/54/875183354.db2.gz ICCOTYDQWDPMOK-HNNXBMFYSA-N 1 1 385.247 3.773 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491382581 875661738 /nfs/dbraw/zinc/66/17/38/875661738.db2.gz QURHIRZSXSPDME-WMZOPIPTSA-N 1 1 382.464 3.935 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000030201648 875911434 /nfs/dbraw/zinc/91/14/34/875911434.db2.gz PSDLYESDYXNCCZ-CYBMUJFWSA-N 1 1 391.269 3.636 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@]3(CO)Cc3ccccc3)co2)cc1 ZINC000475663474 875977774 /nfs/dbraw/zinc/97/77/74/875977774.db2.gz DFPGDTROCZDRQE-QFIPXVFZSA-N 1 1 393.443 3.819 20 5 GHBDMO CC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450424354 876388857 /nfs/dbraw/zinc/38/88/57/876388857.db2.gz QMNMQXODPWFMNW-GOEBONIOSA-N 1 1 379.823 3.733 20 5 GHBDMO CC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450424354 876388869 /nfs/dbraw/zinc/38/88/69/876388869.db2.gz QMNMQXODPWFMNW-GOEBONIOSA-N 1 1 379.823 3.733 20 5 GHBDMO CCc1ccc(OC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c([N+](=O)[O-])c1 ZINC000786421543 876683790 /nfs/dbraw/zinc/68/37/90/876683790.db2.gz XYOBTVCQGBLDGN-UHFFFAOYSA-N 1 1 388.330 3.895 20 5 GHBDMO COCC[N@@H+](C)CCCC1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492372331 876731257 /nfs/dbraw/zinc/73/12/57/876731257.db2.gz BRWCPQAZHNQQOE-UHFFFAOYSA-N 1 1 383.920 3.819 20 5 GHBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804581202 883081714 /nfs/dbraw/zinc/08/17/14/883081714.db2.gz FKJGQWHWMMEEFK-UHFFFAOYSA-N 1 1 396.447 3.996 20 5 GHBDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746663435 877242376 /nfs/dbraw/zinc/24/23/76/877242376.db2.gz RDHKHRSDBXAPGA-UHFFFAOYSA-N 1 1 379.888 3.909 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001129703215 883112617 /nfs/dbraw/zinc/11/26/17/883112617.db2.gz DNLFKGFEERVBHY-KRWDZBQOSA-N 1 1 381.476 3.867 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001129703215 883112621 /nfs/dbraw/zinc/11/26/21/883112621.db2.gz DNLFKGFEERVBHY-KRWDZBQOSA-N 1 1 381.476 3.867 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610041857 877322669 /nfs/dbraw/zinc/32/26/69/877322669.db2.gz GKRBDJLCAFKGJR-QFBILLFUSA-N 1 1 381.476 3.824 20 5 GHBDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451149363 877457991 /nfs/dbraw/zinc/45/79/91/877457991.db2.gz SRUVAWICCMYWDJ-SCRDCRAPSA-N 1 1 385.386 3.535 20 5 GHBDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451149363 877458000 /nfs/dbraw/zinc/45/80/00/877458000.db2.gz SRUVAWICCMYWDJ-SCRDCRAPSA-N 1 1 385.386 3.535 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC(C)(C)CO)c([N+](=O)[O-])c1 ZINC000451248861 877661722 /nfs/dbraw/zinc/66/17/22/877661722.db2.gz PIHHLZIFMAHQRU-LJQANCHMSA-N 1 1 385.464 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC(C)(C)CO)c([N+](=O)[O-])c1 ZINC000451248861 877661736 /nfs/dbraw/zinc/66/17/36/877661736.db2.gz PIHHLZIFMAHQRU-LJQANCHMSA-N 1 1 385.464 3.533 20 5 GHBDMO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000179627496 877759730 /nfs/dbraw/zinc/75/97/30/877759730.db2.gz SXTCGIFSJYBARL-KRWDZBQOSA-N 1 1 375.375 3.503 20 5 GHBDMO COc1c(C)c[nH+]c(CN(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C ZINC000451372345 877893130 /nfs/dbraw/zinc/89/31/30/877893130.db2.gz FYIZRCGUGADRLK-UHFFFAOYSA-N 1 1 382.420 3.902 20 5 GHBDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000179792051 878016222 /nfs/dbraw/zinc/01/62/22/878016222.db2.gz SVTUDLAQXLJCNT-ZBEGNZNMSA-N 1 1 393.390 3.950 20 5 GHBDMO C[C@@H](NC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOCC1)c1ccccc1 ZINC000788600030 878197096 /nfs/dbraw/zinc/19/70/96/878197096.db2.gz BGTKKBYJFLXSMH-IAGOWNOFSA-N 1 1 398.507 3.728 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000776586210 878231710 /nfs/dbraw/zinc/23/17/10/878231710.db2.gz KTGRXOIUYSGXKI-ACIOBRDBSA-N 1 1 395.503 3.615 20 5 GHBDMO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591447 878298824 /nfs/dbraw/zinc/29/88/24/878298824.db2.gz MIHCFHCRLKCNCR-GOSISDBHSA-N 1 1 389.427 3.507 20 5 GHBDMO CNc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1[N+](=O)[O-] ZINC000530778881 878476871 /nfs/dbraw/zinc/47/68/71/878476871.db2.gz PRIWLWRTOHLWEP-ZDUSSCGKSA-N 1 1 379.420 3.622 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)cc1[N+](=O)[O-] ZINC000597352015 878941548 /nfs/dbraw/zinc/94/15/48/878941548.db2.gz WIPAKDBMMNFYEY-CQSZACIVSA-N 1 1 392.459 3.863 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)cc1[N+](=O)[O-] ZINC000597352015 878941556 /nfs/dbraw/zinc/94/15/56/878941556.db2.gz WIPAKDBMMNFYEY-CQSZACIVSA-N 1 1 392.459 3.863 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180513096 879003395 /nfs/dbraw/zinc/00/33/95/879003395.db2.gz MLZOWNDFUGDQAV-UHFFFAOYSA-N 1 1 381.354 3.781 20 5 GHBDMO Cc1ccncc1N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000467550378 879182265 /nfs/dbraw/zinc/18/22/65/879182265.db2.gz JRKZNAFXJIYVLS-UHFFFAOYSA-N 1 1 378.432 3.880 20 5 GHBDMO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761506909 879184794 /nfs/dbraw/zinc/18/47/94/879184794.db2.gz PHSGMJXPQNLBCC-UHFFFAOYSA-N 1 1 383.876 3.985 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761534043 879245618 /nfs/dbraw/zinc/24/56/18/879245618.db2.gz YZAJBFFNZLVLCY-OCCSQVGLSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1F ZINC000854254065 879665128 /nfs/dbraw/zinc/66/51/28/879665128.db2.gz ZALWBIDBUQPZOM-AWEZNQCLSA-N 1 1 397.809 3.868 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000538568026 879731521 /nfs/dbraw/zinc/73/15/21/879731521.db2.gz KYCAPUDTMMTQRQ-GUYCJALGSA-N 1 1 377.510 3.700 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000538568024 879732003 /nfs/dbraw/zinc/73/20/03/879732003.db2.gz KYCAPUDTMMTQRQ-CXAGYDPISA-N 1 1 377.510 3.700 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000531381956 879746394 /nfs/dbraw/zinc/74/63/94/879746394.db2.gz JWZRHHQXJJDKJT-GXTWGEPZSA-N 1 1 387.427 3.509 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790540375 879832005 /nfs/dbraw/zinc/83/20/05/879832005.db2.gz WNUWWOVYHDGPMJ-ZDUSSCGKSA-N 1 1 385.867 3.558 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790545037 879836952 /nfs/dbraw/zinc/83/69/52/879836952.db2.gz BYSSGQVCGDRQSU-VNHYZAJKSA-N 1 1 397.878 3.794 20 5 GHBDMO C[C@@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000494060061 879867196 /nfs/dbraw/zinc/86/71/96/879867196.db2.gz KVGDRXZZWCQSDU-DNVCBOLYSA-N 1 1 394.475 3.562 20 5 GHBDMO C[C@@H](CCN(C)C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237552479 880009960 /nfs/dbraw/zinc/00/99/60/880009960.db2.gz BHKKVGJCYYDVKD-KRWDZBQOSA-N 1 1 393.491 3.877 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1Cc1ccccc1 ZINC000520221756 880315664 /nfs/dbraw/zinc/31/56/64/880315664.db2.gz WFRQOVVRUJUTFY-FQEVSTJZSA-N 1 1 391.427 3.746 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000801540066 921112516 /nfs/dbraw/zinc/11/25/16/921112516.db2.gz IKYWZDBOPUQXEI-LJQANCHMSA-N 1 1 379.432 3.567 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000801540066 921112520 /nfs/dbraw/zinc/11/25/20/921112520.db2.gz IKYWZDBOPUQXEI-LJQANCHMSA-N 1 1 379.432 3.567 20 5 GHBDMO COc1ccccc1OCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636602 912569247 /nfs/dbraw/zinc/56/92/47/912569247.db2.gz VQIMFVXCMAEWLW-UHFFFAOYSA-N 1 1 390.827 3.575 20 5 GHBDMO COc1ccccc1OCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636602 912569256 /nfs/dbraw/zinc/56/92/56/912569256.db2.gz VQIMFVXCMAEWLW-UHFFFAOYSA-N 1 1 390.827 3.575 20 5 GHBDMO CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000453291746 880738404 /nfs/dbraw/zinc/73/84/04/880738404.db2.gz VONPKMBZDHSHEH-JENIJYKNSA-N 1 1 387.524 3.920 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791938900 880791511 /nfs/dbraw/zinc/79/15/11/880791511.db2.gz JRDUYWRMVAHWFF-QZZDSHNUSA-N 1 1 391.471 3.589 20 5 GHBDMO Cc1ccccc1-c1nc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000792174909 880963548 /nfs/dbraw/zinc/96/35/48/880963548.db2.gz MZSPXHSUSASNCY-UHFFFAOYSA-N 1 1 393.447 3.712 20 5 GHBDMO CC(C)Oc1cccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350692 883162861 /nfs/dbraw/zinc/16/28/61/883162861.db2.gz BJFLFKJKXOUQDR-UHFFFAOYSA-N 1 1 399.491 3.909 20 5 GHBDMO CC(C)Oc1cccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350692 883162866 /nfs/dbraw/zinc/16/28/66/883162866.db2.gz BJFLFKJKXOUQDR-UHFFFAOYSA-N 1 1 399.491 3.909 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC1CC([NH+]2CCOCC2)C1 ZINC000858599754 883225454 /nfs/dbraw/zinc/22/54/54/883225454.db2.gz LCLRJLSMVOJQSY-UHFFFAOYSA-N 1 1 379.766 3.542 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000609799787 883659376 /nfs/dbraw/zinc/65/93/76/883659376.db2.gz JJXLCFORGLPJBB-KRWDZBQOSA-N 1 1 384.354 3.620 20 5 GHBDMO CC(C)c1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000428539252 883833598 /nfs/dbraw/zinc/83/35/98/883833598.db2.gz PPSSEPNMNVMGJM-GOSISDBHSA-N 1 1 383.448 3.537 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000859523461 883869381 /nfs/dbraw/zinc/86/93/81/883869381.db2.gz WTYHJGQOTKJURI-AWEZNQCLSA-N 1 1 389.279 3.655 20 5 GHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000859523461 883869393 /nfs/dbraw/zinc/86/93/93/883869393.db2.gz WTYHJGQOTKJURI-AWEZNQCLSA-N 1 1 389.279 3.655 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000760232027 884028914 /nfs/dbraw/zinc/02/89/14/884028914.db2.gz KRJLZTJZDCNYJU-IAGOWNOFSA-N 1 1 390.896 3.980 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000760232027 884028922 /nfs/dbraw/zinc/02/89/22/884028922.db2.gz KRJLZTJZDCNYJU-IAGOWNOFSA-N 1 1 390.896 3.980 20 5 GHBDMO O=C(CC[N@@H+]1CCCn2c(cc3ccccc32)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000805841793 884113902 /nfs/dbraw/zinc/11/39/02/884113902.db2.gz USJCFJCINYYFCS-UHFFFAOYSA-N 1 1 396.422 3.923 20 5 GHBDMO O=C(CC[N@H+]1CCCn2c(cc3ccccc32)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000805841793 884113906 /nfs/dbraw/zinc/11/39/06/884113906.db2.gz USJCFJCINYYFCS-UHFFFAOYSA-N 1 1 396.422 3.923 20 5 GHBDMO C[NH+](C)C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000859848006 884118582 /nfs/dbraw/zinc/11/85/82/884118582.db2.gz ZJWXDGJXPVUREO-QZTJIDSGSA-N 1 1 398.290 3.828 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cnc4n3CCOC4)o2)c(Cl)c1 ZINC000898270233 884689898 /nfs/dbraw/zinc/68/98/98/884689898.db2.gz HVARAZSAWDWJDO-UHFFFAOYSA-N 1 1 388.811 3.525 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495369186 885540037 /nfs/dbraw/zinc/54/00/37/885540037.db2.gz OQIRTXGNPQBQKP-LBPRGKRZSA-N 1 1 397.353 3.952 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495369186 885540044 /nfs/dbraw/zinc/54/00/44/885540044.db2.gz OQIRTXGNPQBQKP-LBPRGKRZSA-N 1 1 397.353 3.952 20 5 GHBDMO COc1cc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)c([N+](=O)[O-])cc1O ZINC000532471663 885678843 /nfs/dbraw/zinc/67/88/43/885678843.db2.gz VEYDPEVATUQZOA-AWEZNQCLSA-N 1 1 376.384 3.840 20 5 GHBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OC(F)F)cc1 ZINC000171127741 885735873 /nfs/dbraw/zinc/73/58/73/885735873.db2.gz MPFAEVQXBPSBLF-NSHDSACASA-N 1 1 380.347 3.914 20 5 GHBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000808049233 885994191 /nfs/dbraw/zinc/99/41/91/885994191.db2.gz JSTOOINHRNRIPE-IBGZPJMESA-N 1 1 383.448 3.500 20 5 GHBDMO CCC(CC)[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000915307604 886296755 /nfs/dbraw/zinc/29/67/55/886296755.db2.gz MTTUBMRVRUQCDF-KRWDZBQOSA-N 1 1 398.891 3.507 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](C)Cc2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000026263267 886317083 /nfs/dbraw/zinc/31/70/83/886317083.db2.gz GJVGOWVYLACTNI-UHFFFAOYSA-N 1 1 384.461 3.974 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000026263267 886317101 /nfs/dbraw/zinc/31/71/01/886317101.db2.gz GJVGOWVYLACTNI-UHFFFAOYSA-N 1 1 384.461 3.974 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000556867842 886418079 /nfs/dbraw/zinc/41/80/79/886418079.db2.gz JJWLXTLTCNVJCZ-UZLBHIALSA-N 1 1 378.432 3.574 20 5 GHBDMO Cn1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000556889119 886508612 /nfs/dbraw/zinc/50/86/12/886508612.db2.gz CGYISZDJXHWCRO-FQEVSTJZSA-N 1 1 377.448 3.973 20 5 GHBDMO Cn1cc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000556889119 886508621 /nfs/dbraw/zinc/50/86/21/886508621.db2.gz CGYISZDJXHWCRO-FQEVSTJZSA-N 1 1 377.448 3.973 20 5 GHBDMO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000795954486 913108865 /nfs/dbraw/zinc/10/88/65/913108865.db2.gz JPJDZCFBQLQVBN-SFHVURJKSA-N 1 1 387.427 3.902 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cnn(C)c2)cc1OC ZINC000542574732 887188437 /nfs/dbraw/zinc/18/84/37/887188437.db2.gz UMWOVYFZJGXNNB-KGLIPLIRSA-N 1 1 376.457 3.613 20 5 GHBDMO CCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000032516418 887246137 /nfs/dbraw/zinc/24/61/37/887246137.db2.gz LDVBLXDTWQFHBU-QGZVFWFLSA-N 1 1 387.436 3.544 20 5 GHBDMO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272489184 887577234 /nfs/dbraw/zinc/57/72/34/887577234.db2.gz DNXQHDTYFALGSY-UIAACRFSSA-N 1 1 380.448 3.520 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC000794595278 887640067 /nfs/dbraw/zinc/64/00/67/887640067.db2.gz VGWHAWUSCUXZCL-UHFFFAOYSA-N 1 1 391.468 3.579 20 5 GHBDMO COc1ccc(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC000794595278 887640071 /nfs/dbraw/zinc/64/00/71/887640071.db2.gz VGWHAWUSCUXZCL-UHFFFAOYSA-N 1 1 391.468 3.579 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000794636472 887703426 /nfs/dbraw/zinc/70/34/26/887703426.db2.gz IOZSWEIUVJWXOK-AWEZNQCLSA-N 1 1 385.445 3.574 20 5 GHBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000794636472 887703434 /nfs/dbraw/zinc/70/34/34/887703434.db2.gz IOZSWEIUVJWXOK-AWEZNQCLSA-N 1 1 385.445 3.574 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272565431 887766285 /nfs/dbraw/zinc/76/62/85/887766285.db2.gz UWLNBNOUNBZMNN-YLJYHZDGSA-N 1 1 385.512 3.519 20 5 GHBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[N@H+]1CCc2ccccc2C1 ZINC000809912575 887934016 /nfs/dbraw/zinc/93/40/16/887934016.db2.gz HTJQZYFGPVZHBX-ZDUSSCGKSA-N 1 1 388.855 3.817 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001132338049 888623265 /nfs/dbraw/zinc/62/32/65/888623265.db2.gz HFKROMLHMXNHKM-SFHVURJKSA-N 1 1 397.475 3.778 20 5 GHBDMO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272760333 888640399 /nfs/dbraw/zinc/64/03/99/888640399.db2.gz CJHMSQGRLFWPFP-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000794891179 888717857 /nfs/dbraw/zinc/71/78/57/888717857.db2.gz CXRCTCTZKPHEAI-FQEVSTJZSA-N 1 1 381.411 3.614 20 5 GHBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000794899937 888749281 /nfs/dbraw/zinc/74/92/81/888749281.db2.gz JWJMEBNESUPLIP-HXUWFJFHSA-N 1 1 381.411 3.614 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000796111352 913288071 /nfs/dbraw/zinc/28/80/71/913288071.db2.gz DNJTXWXUPKQQHA-QGZVFWFLSA-N 1 1 397.244 3.704 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000532754869 888888869 /nfs/dbraw/zinc/88/88/69/888888869.db2.gz KVUUHLFEUVGPFF-UHFFFAOYSA-N 1 1 398.301 3.550 20 5 GHBDMO O=C(c1ccccc1)c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000301144841 888912319 /nfs/dbraw/zinc/91/23/19/888912319.db2.gz FWBAUZJDXCTZNA-KRWDZBQOSA-N 1 1 376.416 3.933 20 5 GHBDMO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454435833 889021180 /nfs/dbraw/zinc/02/11/80/889021180.db2.gz OOEGLAPHJFZNRM-HKUYNNGSSA-N 1 1 396.491 3.520 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000532969105 889409408 /nfs/dbraw/zinc/40/94/08/889409408.db2.gz HEVCXYXAZIUYHK-CRAIPNDOSA-N 1 1 383.448 3.668 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000532969105 889409419 /nfs/dbraw/zinc/40/94/19/889409419.db2.gz HEVCXYXAZIUYHK-CRAIPNDOSA-N 1 1 383.448 3.668 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000532970578 889409697 /nfs/dbraw/zinc/40/96/97/889409697.db2.gz QJSNULFCOPIDRU-UHFFFAOYSA-N 1 1 383.448 3.823 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000532970578 889409706 /nfs/dbraw/zinc/40/97/06/889409706.db2.gz QJSNULFCOPIDRU-UHFFFAOYSA-N 1 1 383.448 3.823 20 5 GHBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001132801316 889588359 /nfs/dbraw/zinc/58/83/59/889588359.db2.gz ONLWJUDCJSUIMZ-MRXNPFEDSA-N 1 1 377.510 3.701 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)c2c(Cl)c1 ZINC000811784418 889953922 /nfs/dbraw/zinc/95/39/22/889953922.db2.gz WQZSUBFYTKMBHV-QGZVFWFLSA-N 1 1 397.866 3.692 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)c2c(Cl)c1 ZINC000811784418 889953934 /nfs/dbraw/zinc/95/39/34/889953934.db2.gz WQZSUBFYTKMBHV-QGZVFWFLSA-N 1 1 397.866 3.692 20 5 GHBDMO C[C@H](c1c(F)cccc1F)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533247738 890087492 /nfs/dbraw/zinc/08/74/92/890087492.db2.gz ACCHPOPGGDMOAU-GFCCVEGCSA-N 1 1 391.374 3.864 20 5 GHBDMO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533247738 890087510 /nfs/dbraw/zinc/08/75/10/890087510.db2.gz ACCHPOPGGDMOAU-GFCCVEGCSA-N 1 1 391.374 3.864 20 5 GHBDMO COCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154169739 890174769 /nfs/dbraw/zinc/17/47/69/890174769.db2.gz BQTBVVMGVFLZNV-SFHVURJKSA-N 1 1 382.819 3.569 20 5 GHBDMO COCC[N@H+](Cc1ccc(F)cc1Cl)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154169739 890174778 /nfs/dbraw/zinc/17/47/78/890174778.db2.gz BQTBVVMGVFLZNV-SFHVURJKSA-N 1 1 382.819 3.569 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000533531065 890767365 /nfs/dbraw/zinc/76/73/65/890767365.db2.gz HHHUXDOVZRDDGW-UHFFFAOYSA-N 1 1 389.455 3.749 20 5 GHBDMO COC(=O)/C=C/c1ccc(NCCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000917073046 891011438 /nfs/dbraw/zinc/01/14/38/891011438.db2.gz BEAHWLQUSHCLBU-SOGBHIHOSA-N 1 1 375.469 3.848 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847148 891037147 /nfs/dbraw/zinc/03/71/47/891037147.db2.gz BBJCXCKWSDEIOQ-BFUOFWGJSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847148 891037155 /nfs/dbraw/zinc/03/71/55/891037155.db2.gz BBJCXCKWSDEIOQ-BFUOFWGJSA-N 1 1 391.855 3.631 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848557 891038975 /nfs/dbraw/zinc/03/89/75/891038975.db2.gz KWSQXPJXPKCNSQ-AUUYWEPGSA-N 1 1 382.420 3.589 20 5 GHBDMO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872060830 891133511 /nfs/dbraw/zinc/13/35/11/891133511.db2.gz URGAIABUWOZMOQ-CRAIPNDOSA-N 1 1 387.455 3.541 20 5 GHBDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1SC ZINC000064344324 891227092 /nfs/dbraw/zinc/22/70/92/891227092.db2.gz QTYFAFFRWSIDQL-CYBMUJFWSA-N 1 1 389.477 3.784 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1SC ZINC000064344324 891227110 /nfs/dbraw/zinc/22/71/10/891227110.db2.gz QTYFAFFRWSIDQL-CYBMUJFWSA-N 1 1 389.477 3.784 20 5 GHBDMO O=C(Cc1coc2ccccc12)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171145 891327430 /nfs/dbraw/zinc/32/74/30/891327430.db2.gz DPWBGJSPNYKOQD-SFHVURJKSA-N 1 1 380.400 3.701 20 5 GHBDMO O=C(Cc1coc2ccccc12)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171145 891327441 /nfs/dbraw/zinc/32/74/41/891327441.db2.gz DPWBGJSPNYKOQD-SFHVURJKSA-N 1 1 380.400 3.701 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(c2cccc(F)c2)CC1 ZINC000813170914 891328536 /nfs/dbraw/zinc/32/85/36/891328536.db2.gz NEHWMWVNDPJHFC-IBGZPJMESA-N 1 1 384.407 3.583 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(c2cccc(F)c2)CC1 ZINC000813170914 891328544 /nfs/dbraw/zinc/32/85/44/891328544.db2.gz NEHWMWVNDPJHFC-IBGZPJMESA-N 1 1 384.407 3.583 20 5 GHBDMO O=C(CCc1ccc2[nH]ccc2c1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172569 891335122 /nfs/dbraw/zinc/33/51/22/891335122.db2.gz OBZXPVMUBIPGNF-FQEVSTJZSA-N 1 1 393.443 3.826 20 5 GHBDMO O=C(CCc1ccc2[nH]ccc2c1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172569 891335132 /nfs/dbraw/zinc/33/51/32/891335132.db2.gz OBZXPVMUBIPGNF-FQEVSTJZSA-N 1 1 393.443 3.826 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2sccc2[C@@H]1C ZINC000026335649 891350631 /nfs/dbraw/zinc/35/06/31/891350631.db2.gz POCBVKYKDHQECH-LBPRGKRZSA-N 1 1 375.450 3.613 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000813300577 891490819 /nfs/dbraw/zinc/49/08/19/891490819.db2.gz ZOMVFTYWPZFWSO-KRWDZBQOSA-N 1 1 385.439 3.766 20 5 GHBDMO CC(=O)c1ccc2c(c1)CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000533766533 892894447 /nfs/dbraw/zinc/89/44/47/892894447.db2.gz LHIDYFNIHGQJFF-UHFFFAOYSA-N 1 1 395.459 3.535 20 5 GHBDMO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000498019872 893018690 /nfs/dbraw/zinc/01/86/90/893018690.db2.gz UIPSHDMKBORVLS-YLJYHZDGSA-N 1 1 397.475 3.658 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000428665617 893145632 /nfs/dbraw/zinc/14/56/32/893145632.db2.gz FBLPUUKLPVIGCG-LJQANCHMSA-N 1 1 387.505 3.771 20 5 GHBDMO Cc1cc(Br)c2c(c1)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000778189626 893180672 /nfs/dbraw/zinc/18/06/72/893180672.db2.gz IAYAHJDDSLCDPX-SFHVURJKSA-N 1 1 391.265 3.757 20 5 GHBDMO Cc1cc(Br)c2c(c1)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000778189626 893180677 /nfs/dbraw/zinc/18/06/77/893180677.db2.gz IAYAHJDDSLCDPX-SFHVURJKSA-N 1 1 391.265 3.757 20 5 GHBDMO COc1ccc2cc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2c1 ZINC000536678808 893525673 /nfs/dbraw/zinc/52/56/73/893525673.db2.gz JZHLRKLYVPRLJK-GOSISDBHSA-N 1 1 378.432 3.838 20 5 GHBDMO CC1(C)C[N@H+](C2(CNc3c4ccccc4ncc3[N+](=O)[O-])CCCCC2)CCO1 ZINC001185323729 913815661 /nfs/dbraw/zinc/81/56/61/913815661.db2.gz VYQVHGCCGMUHTF-UHFFFAOYSA-N 1 1 398.507 3.791 20 5 GHBDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C12CCC2 ZINC000878684546 894508974 /nfs/dbraw/zinc/50/89/74/894508974.db2.gz JANROQOXQVBQQH-CABCVRRESA-N 1 1 392.843 3.688 20 5 GHBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C12CCC2 ZINC000878684546 894508982 /nfs/dbraw/zinc/50/89/82/894508982.db2.gz JANROQOXQVBQQH-CABCVRRESA-N 1 1 392.843 3.688 20 5 GHBDMO COC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878692945 894516191 /nfs/dbraw/zinc/51/61/91/894516191.db2.gz HTSXABIQAMJXPC-LBPRGKRZSA-N 1 1 380.832 3.547 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)o1 ZINC000878846721 894662923 /nfs/dbraw/zinc/66/29/23/894662923.db2.gz XARURWLZTHNKGY-CQSZACIVSA-N 1 1 392.843 3.832 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)o1 ZINC000878846721 894662931 /nfs/dbraw/zinc/66/29/31/894662931.db2.gz XARURWLZTHNKGY-CQSZACIVSA-N 1 1 392.843 3.832 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000564498294 895038624 /nfs/dbraw/zinc/03/86/24/895038624.db2.gz QJYXMGFYDSYGMV-QZTJIDSGSA-N 1 1 380.448 3.581 20 5 GHBDMO Cc1c(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000564676217 895172347 /nfs/dbraw/zinc/17/23/47/895172347.db2.gz ORWDDPIFLWWYKG-UXHICEINSA-N 1 1 389.883 3.718 20 5 GHBDMO C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000817021519 895265184 /nfs/dbraw/zinc/26/51/84/895265184.db2.gz LAIJJFJVAPWAAQ-LLVKDONJSA-N 1 1 386.279 3.848 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000565386701 895582784 /nfs/dbraw/zinc/58/27/84/895582784.db2.gz QKQOJGHWDYAQDY-HUUCEWRRSA-N 1 1 381.839 3.769 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000565386701 895582789 /nfs/dbraw/zinc/58/27/89/895582789.db2.gz QKQOJGHWDYAQDY-HUUCEWRRSA-N 1 1 381.839 3.769 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000567111621 896883410 /nfs/dbraw/zinc/88/34/10/896883410.db2.gz QICAQRMMNUMURF-QUCCMNQESA-N 1 1 398.459 3.793 20 5 GHBDMO CCc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567452383 897171569 /nfs/dbraw/zinc/17/15/69/897171569.db2.gz QYTOCQSKFKHMPO-OAQYLSRUSA-N 1 1 381.480 3.536 20 5 GHBDMO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000568329138 897745516 /nfs/dbraw/zinc/74/55/16/897745516.db2.gz DMVJIYNNOUWMFF-YWZLYKJASA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000568329138 897745525 /nfs/dbraw/zinc/74/55/25/897745525.db2.gz DMVJIYNNOUWMFF-YWZLYKJASA-N 1 1 390.867 3.790 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001136452169 897918321 /nfs/dbraw/zinc/91/83/21/897918321.db2.gz QFQWTDRNQUAKKL-QGZVFWFLSA-N 1 1 385.439 3.684 20 5 GHBDMO COc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1SC ZINC000103070147 898065874 /nfs/dbraw/zinc/06/58/74/898065874.db2.gz ZBIJUZSKQCGTOE-AWEZNQCLSA-N 1 1 395.525 3.710 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(CNc3c[nH+]ccc3-n3ccnn3)s2)cc1 ZINC000569046597 898296636 /nfs/dbraw/zinc/29/66/36/898296636.db2.gz CKXRDLWVKAZUFU-UHFFFAOYSA-N 1 1 378.417 3.911 20 5 GHBDMO COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000043343037 898475534 /nfs/dbraw/zinc/47/55/34/898475534.db2.gz BGFUTVPTAFFGJT-MRXNPFEDSA-N 1 1 392.843 3.681 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000805794528 898506915 /nfs/dbraw/zinc/50/69/15/898506915.db2.gz VVMBBYYROBRMMB-HXUWFJFHSA-N 1 1 375.469 3.818 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000823974642 899336375 /nfs/dbraw/zinc/33/63/75/899336375.db2.gz SVQDNSPKCNRSME-WBVHZDCISA-N 1 1 397.479 3.599 20 5 GHBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000824451288 899607582 /nfs/dbraw/zinc/60/75/82/899607582.db2.gz RMCSCDSHXNXLIM-AWEZNQCLSA-N 1 1 387.461 3.597 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1cccc([N+](=O)[O-])c1 ZINC000570914523 899674698 /nfs/dbraw/zinc/67/46/98/899674698.db2.gz XRQWGJIBMQWLOJ-HXUWFJFHSA-N 1 1 393.422 3.870 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000570977932 899695336 /nfs/dbraw/zinc/69/53/36/899695336.db2.gz HWKFFMMNMXSNTL-SFHVURJKSA-N 1 1 396.491 3.843 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000825215285 900030902 /nfs/dbraw/zinc/03/09/02/900030902.db2.gz KZRAFIAKGFECOJ-YWZLYKJASA-N 1 1 383.448 3.641 20 5 GHBDMO COc1cc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000574846972 901034736 /nfs/dbraw/zinc/03/47/36/901034736.db2.gz MQQPZKQNWOTBFH-IEBWSBKVSA-N 1 1 399.466 3.696 20 5 GHBDMO O=[N+]([O-])c1cccc(Cl)c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000575910189 901460428 /nfs/dbraw/zinc/46/04/28/901460428.db2.gz KRXPJSXNRFCGTK-INIZCTEOSA-N 1 1 376.840 3.918 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H](CO)C(C)C)cc1 ZINC000778995653 902614758 /nfs/dbraw/zinc/61/47/58/902614758.db2.gz FHOQFRPBAVTSGJ-HXUWFJFHSA-N 1 1 376.428 3.762 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001144717959 902702545 /nfs/dbraw/zinc/70/25/45/902702545.db2.gz PPJJATQNWHZGCF-UHFFFAOYSA-N 1 1 387.455 3.823 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)s1 ZINC000846100882 902713705 /nfs/dbraw/zinc/71/37/05/902713705.db2.gz BLDWKRFHNWIBJD-AWEZNQCLSA-N 1 1 391.468 3.698 20 5 GHBDMO COCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000130783298 903022352 /nfs/dbraw/zinc/02/23/52/903022352.db2.gz DPFYFVCBHHLCPB-SFHVURJKSA-N 1 1 387.436 3.808 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@@](C)(O)c1ccccc1 ZINC001171390677 904473737 /nfs/dbraw/zinc/47/37/37/904473737.db2.gz QNDNOYYCTQMEPW-QGZVFWFLSA-N 1 1 379.254 3.697 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@@](C)(O)c1ccccc1 ZINC001171390677 904473747 /nfs/dbraw/zinc/47/37/47/904473747.db2.gz QNDNOYYCTQMEPW-QGZVFWFLSA-N 1 1 379.254 3.697 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001171521384 904797877 /nfs/dbraw/zinc/79/78/77/904797877.db2.gz GTHXTAVRCUQYEM-JSGCOSHPSA-N 1 1 382.432 3.542 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001171521384 904797880 /nfs/dbraw/zinc/79/78/80/904797880.db2.gz GTHXTAVRCUQYEM-JSGCOSHPSA-N 1 1 382.432 3.542 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCSC(F)(F)F)[C@H]1CC[C@H](O)CC1 ZINC001171559910 904827837 /nfs/dbraw/zinc/82/78/37/904827837.db2.gz AUBDONRSUUQNMB-HDJSIYSDSA-N 1 1 378.416 3.953 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000173804282 905130294 /nfs/dbraw/zinc/13/02/94/905130294.db2.gz BXURARZWCFYVCH-CQSZACIVSA-N 1 1 388.493 3.522 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176243235 905793063 /nfs/dbraw/zinc/79/30/63/905793063.db2.gz FYWKQAHNDWNCRB-MRXNPFEDSA-N 1 1 382.468 3.602 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000801600888 921179650 /nfs/dbraw/zinc/17/96/50/921179650.db2.gz VMHXNCMXZZWKJK-UHFFFAOYSA-N 1 1 396.491 3.698 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000801600888 921179658 /nfs/dbraw/zinc/17/96/58/921179658.db2.gz VMHXNCMXZZWKJK-UHFFFAOYSA-N 1 1 396.491 3.698 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1)CC2 ZINC001172903608 905927633 /nfs/dbraw/zinc/92/76/33/905927633.db2.gz HQJVIILRGBULIP-PVAVHDDUSA-N 1 1 390.377 3.570 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]31)CC2 ZINC001172906778 905933779 /nfs/dbraw/zinc/93/37/79/905933779.db2.gz IBPVOXYUSLXLCL-VXSCBNMQSA-N 1 1 386.492 3.501 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]31)CC2 ZINC001172906778 905933803 /nfs/dbraw/zinc/93/38/03/905933803.db2.gz IBPVOXYUSLXLCL-VXSCBNMQSA-N 1 1 386.492 3.501 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H]3CN(Cc4ccccc4)C[C@H]3C1)CC2 ZINC001172913604 905984007 /nfs/dbraw/zinc/98/40/07/905984007.db2.gz SPVSCNCHVVJUKE-XPWALMASSA-N 1 1 391.515 3.906 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H]3CN(Cc4ccccc4)C[C@H]3C1)CC2 ZINC001172913604 905984022 /nfs/dbraw/zinc/98/40/22/905984022.db2.gz SPVSCNCHVVJUKE-XPWALMASSA-N 1 1 391.515 3.906 20 5 GHBDMO CCCC[N@@H+](CC(=O)OCC)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015617 906092003 /nfs/dbraw/zinc/09/20/03/906092003.db2.gz UIYPZADYPAOYMK-UHFFFAOYSA-N 1 1 399.438 3.507 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1F ZINC001173188903 906269747 /nfs/dbraw/zinc/26/97/47/906269747.db2.gz HSJXASQETITGHV-CYBMUJFWSA-N 1 1 396.459 3.727 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c1F ZINC001173191295 906274215 /nfs/dbraw/zinc/27/42/15/906274215.db2.gz BJZQDJZNQYTWME-ZIAGYGMSSA-N 1 1 396.459 3.727 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)c1F ZINC001173192868 906274859 /nfs/dbraw/zinc/27/48/59/906274859.db2.gz NCRWRXKIIGSDAT-OAHLLOKOSA-N 1 1 398.438 3.991 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1F ZINC001173192033 906275113 /nfs/dbraw/zinc/27/51/13/906275113.db2.gz HIUQLWLUHLIMMM-XJKSGUPXSA-N 1 1 392.402 3.966 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001173221730 906300017 /nfs/dbraw/zinc/30/00/17/906300017.db2.gz LKROYZDWXLLBAC-RDJZCZTQSA-N 1 1 389.496 3.715 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001173223454 906303781 /nfs/dbraw/zinc/30/37/81/906303781.db2.gz FXUQKSAOYLGBMO-CVDCTZTESA-N 1 1 395.503 3.897 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2c1cnn2CC1CC1 ZINC001173223794 906305166 /nfs/dbraw/zinc/30/51/66/906305166.db2.gz HRQDDCNWHHKQNM-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2c1cnn2CC1CC1 ZINC001173223794 906305186 /nfs/dbraw/zinc/30/51/86/906305186.db2.gz HRQDDCNWHHKQNM-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC001173235346 906321925 /nfs/dbraw/zinc/32/19/25/906321925.db2.gz WHJMOJUQDCVJNH-OAHLLOKOSA-N 1 1 387.867 3.637 20 5 GHBDMO COc1cc(C[N@H+]2CCSC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000190843459 906347428 /nfs/dbraw/zinc/34/74/28/906347428.db2.gz ZVRXCOALJSRZBH-NSHDSACASA-N 1 1 394.415 3.729 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(O)cc3)CC2)c(C(F)(F)F)c1 ZINC000779434664 907069517 /nfs/dbraw/zinc/06/95/17/907069517.db2.gz SOEGUEAXDMLNHV-UHFFFAOYSA-N 1 1 381.354 3.641 20 5 GHBDMO COc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc([N+](=O)[O-])c1C ZINC000191797918 907248886 /nfs/dbraw/zinc/24/88/86/907248886.db2.gz SENXZNUPOPQZSU-RDJZCZTQSA-N 1 1 389.496 3.638 20 5 GHBDMO COc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc([N+](=O)[O-])c1C ZINC000191797900 907249378 /nfs/dbraw/zinc/24/93/78/907249378.db2.gz SENXZNUPOPQZSU-DOTOQJQBSA-N 1 1 389.496 3.638 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001174914807 907286132 /nfs/dbraw/zinc/28/61/32/907286132.db2.gz GHPWFPSSUQHLJP-IFXJQAMLSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001174914807 907286145 /nfs/dbraw/zinc/28/61/45/907286145.db2.gz GHPWFPSSUQHLJP-IFXJQAMLSA-N 1 1 379.432 3.613 20 5 GHBDMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1nccs1 ZINC000184014373 907499735 /nfs/dbraw/zinc/49/97/35/907499735.db2.gz UYZBTHDWTLPZMD-MNOVXSKESA-N 1 1 382.873 3.767 20 5 GHBDMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1nccs1 ZINC000184014373 907499742 /nfs/dbraw/zinc/49/97/42/907499742.db2.gz UYZBTHDWTLPZMD-MNOVXSKESA-N 1 1 382.873 3.767 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185525695 907786648 /nfs/dbraw/zinc/78/66/48/907786648.db2.gz APGXXONOFCGVAD-OAHLLOKOSA-N 1 1 394.431 3.689 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001176112790 907943989 /nfs/dbraw/zinc/94/39/89/907943989.db2.gz BIZWDDMSKJUNGY-UHFFFAOYSA-N 1 1 397.479 3.673 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001176112790 907943994 /nfs/dbraw/zinc/94/39/94/907943994.db2.gz BIZWDDMSKJUNGY-UHFFFAOYSA-N 1 1 397.479 3.673 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC001176698973 908214723 /nfs/dbraw/zinc/21/47/23/908214723.db2.gz DNWTURMCDIOTKW-KBPBESRZSA-N 1 1 381.448 3.717 20 5 GHBDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC001178972717 909339612 /nfs/dbraw/zinc/33/96/12/909339612.db2.gz YOHUJJJSHOHZKW-IFMALSPDSA-N 1 1 383.492 3.530 20 5 GHBDMO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001178972717 909339627 /nfs/dbraw/zinc/33/96/27/909339627.db2.gz YOHUJJJSHOHZKW-IFMALSPDSA-N 1 1 383.492 3.530 20 5 GHBDMO COC(=O)c1c[nH]c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C1CC1 ZINC001180092550 909913271 /nfs/dbraw/zinc/91/32/71/909913271.db2.gz MDUYLRVCWNCNLC-UHFFFAOYSA-N 1 1 399.447 3.630 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000246258599 910206581 /nfs/dbraw/zinc/20/65/81/910206581.db2.gz KOMATUCVFWACAS-MDNUFGMLSA-N 1 1 395.503 3.615 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269529236 910296343 /nfs/dbraw/zinc/29/63/43/910296343.db2.gz RSZHSVIPDFJFGS-NVXWUHKLSA-N 1 1 399.495 3.566 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269529236 910296354 /nfs/dbraw/zinc/29/63/54/910296354.db2.gz RSZHSVIPDFJFGS-NVXWUHKLSA-N 1 1 399.495 3.566 20 5 GHBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269529236 910296363 /nfs/dbraw/zinc/29/63/63/910296363.db2.gz RSZHSVIPDFJFGS-NVXWUHKLSA-N 1 1 399.495 3.566 20 5 GHBDMO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269681600 910333599 /nfs/dbraw/zinc/33/35/99/910333599.db2.gz MEYDVCRKGKWYML-MLGOLLRUSA-N 1 1 397.397 3.703 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000774535683 911967040 /nfs/dbraw/zinc/96/70/40/911967040.db2.gz SCJCKHFZLXQTRU-UHFFFAOYSA-N 1 1 375.335 3.697 20 5 GHBDMO Cc1cc(N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC001186922920 914903600 /nfs/dbraw/zinc/90/36/00/914903600.db2.gz SGTODLVHNLITAZ-NHCUHLMSSA-N 1 1 385.439 3.522 20 5 GHBDMO C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000303799995 915114212 /nfs/dbraw/zinc/11/42/12/915114212.db2.gz WOYQJRUDRUPJIZ-UYAOXDASSA-N 1 1 383.492 3.959 20 5 GHBDMO C[C@@H]1C[C@H](N(C)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303799995 915114219 /nfs/dbraw/zinc/11/42/19/915114219.db2.gz WOYQJRUDRUPJIZ-UYAOXDASSA-N 1 1 383.492 3.959 20 5 GHBDMO C[C@@H]1C[C@H](N(C)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303799995 915114224 /nfs/dbraw/zinc/11/42/24/915114224.db2.gz WOYQJRUDRUPJIZ-UYAOXDASSA-N 1 1 383.492 3.959 20 5 GHBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000292054367 915496192 /nfs/dbraw/zinc/49/61/92/915496192.db2.gz ZJZPQMPRYFKQOX-CVEARBPZSA-N 1 1 399.495 3.621 20 5 GHBDMO CS(=O)(=O)CC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000292816173 915858635 /nfs/dbraw/zinc/85/86/35/915858635.db2.gz PJMCKAZFULZGDN-UHFFFAOYSA-N 1 1 394.518 3.580 20 5 GHBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)C1 ZINC000293842800 916416144 /nfs/dbraw/zinc/41/61/44/916416144.db2.gz CQQBHBNTUWDXKY-QHCPKHFHSA-N 1 1 375.472 3.652 20 5 GHBDMO C[S@](=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000294606194 916885651 /nfs/dbraw/zinc/88/56/51/916885651.db2.gz NYPXNQIZIGJEDC-QMTYFTJSSA-N 1 1 386.395 3.823 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)Cc1cccs1 ZINC001191465323 918031714 /nfs/dbraw/zinc/03/17/14/918031714.db2.gz ZUVUCTCHAWFPRX-ZDUSSCGKSA-N 1 1 377.466 3.557 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001191519639 918039470 /nfs/dbraw/zinc/03/94/70/918039470.db2.gz ADGASMHHUTWMLZ-NFBKMPQASA-N 1 1 395.503 3.960 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000296682565 918579361 /nfs/dbraw/zinc/57/93/61/918579361.db2.gz ISUXCDHASFKJMQ-UHFFFAOYSA-N 1 1 388.399 3.821 20 5 GHBDMO C[C@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000296822614 918802603 /nfs/dbraw/zinc/80/26/03/918802603.db2.gz XMVJVAUYZYVGQX-HOTGVXAUSA-N 1 1 398.463 3.871 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCOc1ccccc1 ZINC000016560934 919440638 /nfs/dbraw/zinc/44/06/38/919440638.db2.gz IMFZUVNGCHIEHU-ZDUSSCGKSA-N 1 1 377.828 3.586 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCOc1ccccc1 ZINC000016560934 919440646 /nfs/dbraw/zinc/44/06/46/919440646.db2.gz IMFZUVNGCHIEHU-ZDUSSCGKSA-N 1 1 377.828 3.586 20 5 GHBDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000800472733 920151075 /nfs/dbraw/zinc/15/10/75/920151075.db2.gz ZJJSFWOPFYMKGF-HXUWFJFHSA-N 1 1 389.402 3.942 20 5 GHBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000803536093 923073817 /nfs/dbraw/zinc/07/38/17/923073817.db2.gz IBNYRNRXYOIFFH-OXHGWOFKSA-N 1 1 391.471 3.733 20 5 GHBDMO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000369255256 923234739 /nfs/dbraw/zinc/23/47/39/923234739.db2.gz VXDDRMBXTQZIER-IBGZPJMESA-N 1 1 377.460 3.737 20 5 GHBDMO C[C@H](OC(=O)CC[C@H]1CCCC[N@H+]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000803856295 923320170 /nfs/dbraw/zinc/32/01/70/923320170.db2.gz PDPZVXALFSRGFW-DZGCQCFKSA-N 1 1 388.424 3.514 20 5 GHBDMO O=C1OCCN1[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000826994768 924508806 /nfs/dbraw/zinc/50/88/06/924508806.db2.gz NGXCZURHQOPYDI-CYBMUJFWSA-N 1 1 391.811 3.535 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c([N+](=O)[O-])c1 ZINC000411621333 926577218 /nfs/dbraw/zinc/57/72/18/926577218.db2.gz RACIICYTWYJVCF-CQSZACIVSA-N 1 1 389.374 3.595 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000726599715 926753948 /nfs/dbraw/zinc/75/39/48/926753948.db2.gz KCXXVKOKUPWIBT-HOCLYGCPSA-N 1 1 393.484 3.871 20 5 GHBDMO COc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000726599715 926753955 /nfs/dbraw/zinc/75/39/55/926753955.db2.gz KCXXVKOKUPWIBT-HOCLYGCPSA-N 1 1 393.484 3.871 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000374224862 926912763 /nfs/dbraw/zinc/91/27/63/926912763.db2.gz YKXHPJWKFBZDOK-KBXCAEBGSA-N 1 1 380.404 3.859 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000374224862 926912772 /nfs/dbraw/zinc/91/27/72/926912772.db2.gz YKXHPJWKFBZDOK-KBXCAEBGSA-N 1 1 380.404 3.859 20 5 GHBDMO CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000750050963 927406172 /nfs/dbraw/zinc/40/61/72/927406172.db2.gz FUWQEISICVBJNQ-YHYVQYDKSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000750050963 927406181 /nfs/dbraw/zinc/40/61/81/927406181.db2.gz FUWQEISICVBJNQ-YHYVQYDKSA-N 1 1 383.492 3.786 20 5 GHBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000750050963 927406191 /nfs/dbraw/zinc/40/61/91/927406191.db2.gz FUWQEISICVBJNQ-YHYVQYDKSA-N 1 1 383.492 3.786 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750055964 927409674 /nfs/dbraw/zinc/40/96/74/927409674.db2.gz WRUUSHZIGMWOEO-NRFANRHFSA-N 1 1 399.422 3.987 20 5 GHBDMO CN(C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000750291284 927537895 /nfs/dbraw/zinc/53/78/95/927537895.db2.gz VWWXEOMQWUDTED-MRXNPFEDSA-N 1 1 393.484 3.553 20 5 GHBDMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc([S@](C)=O)cc1 ZINC000543908432 928559075 /nfs/dbraw/zinc/55/90/75/928559075.db2.gz HTPUMCNZNJXOHE-QWVSSGJLSA-N 1 1 385.445 3.838 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@]2(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000467239830 928867159 /nfs/dbraw/zinc/86/71/59/928867159.db2.gz YJARFOAOASOIMU-OAQYLSRUSA-N 1 1 383.448 3.639 20 5 GHBDMO CO[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC[C@H]1C ZINC000467291747 928925000 /nfs/dbraw/zinc/92/50/00/928925000.db2.gz XYBKGQGICVIJOQ-MAODMQOUSA-N 1 1 397.475 3.940 20 5 GHBDMO CO[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC[C@H]1C ZINC000467291747 928925013 /nfs/dbraw/zinc/92/50/13/928925013.db2.gz XYBKGQGICVIJOQ-MAODMQOUSA-N 1 1 397.475 3.940 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000467690207 929306639 /nfs/dbraw/zinc/30/66/39/929306639.db2.gz CCJRBQCWZQGZAK-DNVCBOLYSA-N 1 1 394.475 3.562 20 5 GHBDMO C[N@@H+](CCOc1cccc(Cl)c1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000753914552 929589607 /nfs/dbraw/zinc/58/96/07/929589607.db2.gz GFURPLNILAUSNP-UHFFFAOYSA-N 1 1 395.818 3.727 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](c3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000469474718 929924278 /nfs/dbraw/zinc/92/42/78/929924278.db2.gz PZIFVNKBMRTDGU-AWEZNQCLSA-N 1 1 389.402 4.000 20 5 GHBDMO COc1ccc(Br)c(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000759648015 930438164 /nfs/dbraw/zinc/43/81/64/930438164.db2.gz DFUBGJYVWMSOFV-QGZVFWFLSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1ccc(Br)c(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000759648015 930438166 /nfs/dbraw/zinc/43/81/66/930438166.db2.gz DFUBGJYVWMSOFV-QGZVFWFLSA-N 1 1 395.253 3.531 20 5 GHBDMO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780768684 930595162 /nfs/dbraw/zinc/59/51/62/930595162.db2.gz TYICVIMHBZEVJE-RPVQJOFSSA-N 1 1 386.477 3.581 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@](C)(O)CC2)cc1OC ZINC000471076109 931135786 /nfs/dbraw/zinc/13/57/86/931135786.db2.gz SVZWOKSVCSKPGQ-QRWLVFNGSA-N 1 1 380.485 3.765 20 5 GHBDMO C[N@@H+](CCCOc1ccc(F)cc1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782477496 931236665 /nfs/dbraw/zinc/23/66/65/931236665.db2.gz SHFSJUBDJDTPKZ-UHFFFAOYSA-N 1 1 393.390 3.603 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000782487870 931240387 /nfs/dbraw/zinc/24/03/87/931240387.db2.gz NKAANUACTAEAJT-WBMJQRKESA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000782487870 931240392 /nfs/dbraw/zinc/24/03/92/931240392.db2.gz NKAANUACTAEAJT-WBMJQRKESA-N 1 1 383.876 3.983 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000557363943 931378127 /nfs/dbraw/zinc/37/81/27/931378127.db2.gz PQRWIJNZCSMEJG-LJQANCHMSA-N 1 1 399.466 3.647 20 5 GHBDMO C/C(=C\C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895275 931707182 /nfs/dbraw/zinc/70/71/82/931707182.db2.gz YPGORIPUYVBILZ-ATGUSINASA-N 1 1 385.489 3.623 20 5 GHBDMO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000784005661 931750940 /nfs/dbraw/zinc/75/09/40/931750940.db2.gz QUGOLBAKFWRIDY-FPOVZHCZSA-N 1 1 378.432 3.988 20 5 GHBDMO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000784005661 931750948 /nfs/dbraw/zinc/75/09/48/931750948.db2.gz QUGOLBAKFWRIDY-FPOVZHCZSA-N 1 1 378.432 3.988 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000558467428 932019408 /nfs/dbraw/zinc/01/94/08/932019408.db2.gz WDHPRPGNVIDEDR-JOCHJYFZSA-N 1 1 395.459 3.702 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000796683910 932029658 /nfs/dbraw/zinc/02/96/58/932029658.db2.gz QFKNFAZAGUHLMD-KRWDZBQOSA-N 1 1 391.468 3.627 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000796683910 932029665 /nfs/dbraw/zinc/02/96/65/932029665.db2.gz QFKNFAZAGUHLMD-KRWDZBQOSA-N 1 1 391.468 3.627 20 5 GHBDMO Cc1c(CC(=O)O[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000797252094 932233801 /nfs/dbraw/zinc/23/38/01/932233801.db2.gz UWZVMUIWEBADFK-YLJYHZDGSA-N 1 1 382.460 3.900 20 5 GHBDMO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000797840823 932426881 /nfs/dbraw/zinc/42/68/81/932426881.db2.gz PVBRQTMDLPHEBD-MRXNPFEDSA-N 1 1 392.456 3.513 20 5 GHBDMO COc1ccc(NC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000799225863 932924113 /nfs/dbraw/zinc/92/41/13/932924113.db2.gz QLVKKTXQRRWTPN-OAQYLSRUSA-N 1 1 398.463 3.637 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799226667 932925000 /nfs/dbraw/zinc/92/50/00/932925000.db2.gz HFTUHNFRCNLXOQ-OAQYLSRUSA-N 1 1 398.463 3.637 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000799359620 932968856 /nfs/dbraw/zinc/96/88/56/932968856.db2.gz XSQJJKJACPOVLB-CQSZACIVSA-N 1 1 381.448 3.861 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000799359620 932968861 /nfs/dbraw/zinc/96/88/61/932968861.db2.gz XSQJJKJACPOVLB-CQSZACIVSA-N 1 1 381.448 3.861 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531765 933316778 /nfs/dbraw/zinc/31/67/78/933316778.db2.gz LQFPDNIWBHPQCX-FXAWDEMLSA-N 1 1 385.512 3.519 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)nc2c1 ZINC001116350589 933502183 /nfs/dbraw/zinc/50/21/83/933502183.db2.gz GHQGVCPXZTYFIS-ZDUSSCGKSA-N 1 1 377.404 3.992 20 5 GHBDMO C[C@@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001116497321 933591922 /nfs/dbraw/zinc/59/19/22/933591922.db2.gz IHFDNNWCYQAZTD-SJLPKXTDSA-N 1 1 394.475 3.531 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000929862972 933676679 /nfs/dbraw/zinc/67/66/79/933676679.db2.gz FIHVWQWMLHBPQM-MJGOQNOKSA-N 1 1 378.856 3.555 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000929862972 933676685 /nfs/dbraw/zinc/67/66/85/933676685.db2.gz FIHVWQWMLHBPQM-MJGOQNOKSA-N 1 1 378.856 3.555 20 5 GHBDMO COc1ccc([C@H](CCO)[NH2+]Cc2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000930188041 933883069 /nfs/dbraw/zinc/88/30/69/933883069.db2.gz KHPJHUABZYXYNR-KRWDZBQOSA-N 1 1 395.253 3.579 20 5 GHBDMO C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)C[C@H](C)O1 ZINC000930811900 934255503 /nfs/dbraw/zinc/25/55/03/934255503.db2.gz YUEDXIBQTWYDBG-YUUAAKCUSA-N 1 1 376.497 3.904 20 5 GHBDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000561784982 934452492 /nfs/dbraw/zinc/45/24/92/934452492.db2.gz NMLGHABFHCOYIL-SFHVURJKSA-N 1 1 399.447 3.985 20 5 GHBDMO COc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC001123372628 935173168 /nfs/dbraw/zinc/17/31/68/935173168.db2.gz XQHXTOHVAMSNHG-OAHLLOKOSA-N 1 1 376.457 3.522 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000468251252 1015504145 /nfs/dbraw/zinc/50/41/45/1015504145.db2.gz OBWXLDVOHCKACE-SFHVURJKSA-N 1 1 381.476 3.823 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000468251252 1015504153 /nfs/dbraw/zinc/50/41/53/1015504153.db2.gz OBWXLDVOHCKACE-SFHVURJKSA-N 1 1 381.476 3.823 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001226807857 1032137104 /nfs/dbraw/zinc/13/71/04/1032137104.db2.gz QJELRWYYRUJVEO-DJJJIMSYSA-N 1 1 382.395 3.576 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470153004 1016738374 /nfs/dbraw/zinc/73/83/74/1016738374.db2.gz QMDYDMBOTVIZNS-IFXJQAMLSA-N 1 1 386.427 3.766 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000470611165 1016835977 /nfs/dbraw/zinc/83/59/77/1016835977.db2.gz HGMYRBMSFFPMEQ-AWEZNQCLSA-N 1 1 388.493 3.532 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001227299404 1032361452 /nfs/dbraw/zinc/36/14/52/1032361452.db2.gz ZICLHLWSXXEZEV-CMKODMSKSA-N 1 1 396.443 3.671 20 5 GHBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001227544215 1032458561 /nfs/dbraw/zinc/45/85/61/1032458561.db2.gz JQYZYRABHIROAC-ZFWWWQNUSA-N 1 1 390.461 3.732 20 5 GHBDMO CC[N@@H+]1CC[C@H](Oc2c(Br)cc(Br)cc2[N+](=O)[O-])C1 ZINC001227639995 1032498042 /nfs/dbraw/zinc/49/80/42/1032498042.db2.gz MGBSZQSIDKJJIR-VIFPVBQESA-N 1 1 394.063 3.593 20 5 GHBDMO CC[N@H+]1CC[C@H](Oc2c(Br)cc(Br)cc2[N+](=O)[O-])C1 ZINC001227639995 1032498046 /nfs/dbraw/zinc/49/80/46/1032498046.db2.gz MGBSZQSIDKJJIR-VIFPVBQESA-N 1 1 394.063 3.593 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(-c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)cc1 ZINC000564213390 1019029494 /nfs/dbraw/zinc/02/94/94/1019029494.db2.gz OJJQQRNERWGXOL-UHFFFAOYSA-N 1 1 384.302 3.830 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(OC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)sc2c1 ZINC001228211105 1032843553 /nfs/dbraw/zinc/84/35/53/1032843553.db2.gz MODUBSNBSIDQIT-QGZVFWFLSA-N 1 1 399.472 3.874 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)CC1 ZINC000834631619 1021333808 /nfs/dbraw/zinc/33/38/08/1021333808.db2.gz OLISHBDCUSHWED-UHFFFAOYSA-N 1 1 391.374 3.568 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C12CCCCC2 ZINC001204616431 1032995851 /nfs/dbraw/zinc/99/58/51/1032995851.db2.gz WOFPOWIPWLRDBY-SJORKVTESA-N 1 1 378.469 3.869 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C12CCCCC2 ZINC001204616428 1032995893 /nfs/dbraw/zinc/99/58/93/1032995893.db2.gz WOFPOWIPWLRDBY-DLBZAZTESA-N 1 1 378.469 3.869 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755866781 1023409224 /nfs/dbraw/zinc/40/92/24/1023409224.db2.gz CHFBMYRMABEYTG-WBVHZDCISA-N 1 1 384.432 3.671 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000831539382 1024627175 /nfs/dbraw/zinc/62/71/75/1024627175.db2.gz QNPWSQDMCMHLIV-CQSZACIVSA-N 1 1 381.392 3.759 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000831539382 1024627185 /nfs/dbraw/zinc/62/71/85/1024627185.db2.gz QNPWSQDMCMHLIV-CQSZACIVSA-N 1 1 381.392 3.759 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001138608388 1025097386 /nfs/dbraw/zinc/09/73/86/1025097386.db2.gz XYJLCUGMDKBFMQ-LJQANCHMSA-N 1 1 394.475 3.963 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001141558866 1025535522 /nfs/dbraw/zinc/53/55/22/1025535522.db2.gz XTDKDEGZCGHUGP-MRXNPFEDSA-N 1 1 385.489 3.711 20 5 GHBDMO COC(=O)/C=C\c1ccc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001162244341 1025688288 /nfs/dbraw/zinc/68/82/88/1025688288.db2.gz KOZQTMUBASWZPS-KEUCVTBVSA-N 1 1 375.469 3.559 20 5 GHBDMO COc1ccccc1C[NH+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001162413203 1025739795 /nfs/dbraw/zinc/73/97/95/1025739795.db2.gz JIRAIUKMSWJVKY-UHFFFAOYSA-N 1 1 395.381 3.944 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000832697939 1025848919 /nfs/dbraw/zinc/84/89/19/1025848919.db2.gz LAVUJYWYNKRHIP-INIZCTEOSA-N 1 1 377.422 3.558 20 5 GHBDMO O=[N+]([O-])c1cc(-c2ccc(NCC[C@@H]3CC[NH2+]CC3(F)F)nn2)ccc1Cl ZINC001162813723 1025926447 /nfs/dbraw/zinc/92/64/47/1025926447.db2.gz AXUUXQPGXAAKKE-LBPRGKRZSA-N 1 1 397.813 3.752 20 5 GHBDMO CCC[C@@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC001162854873 1025940429 /nfs/dbraw/zinc/94/04/29/1025940429.db2.gz DIVMGNAVRXAGIZ-CQSZACIVSA-N 1 1 375.391 3.551 20 5 GHBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001162891621 1025956573 /nfs/dbraw/zinc/95/65/73/1025956573.db2.gz IMAUOKCUTMSTJP-UHFFFAOYSA-N 1 1 392.887 3.591 20 5 GHBDMO CCCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@@H]1CC[N@@H+](C)C1 ZINC001162975452 1025994913 /nfs/dbraw/zinc/99/49/13/1025994913.db2.gz YKJTYEJEAQOQHG-SECBINFHSA-N 1 1 378.231 3.597 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](Nc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC001163371387 1026164877 /nfs/dbraw/zinc/16/48/77/1026164877.db2.gz PIASTCHFMWNUDZ-RKDXNWHRSA-N 1 1 381.786 3.588 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000839654010 1026174281 /nfs/dbraw/zinc/17/42/81/1026174281.db2.gz CSHLDTLILGCABL-LJQANCHMSA-N 1 1 390.867 3.868 20 5 GHBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC001163827494 1026328643 /nfs/dbraw/zinc/32/86/43/1026328643.db2.gz UIUZDRLJZPFQMJ-UHFFFAOYSA-N 1 1 397.866 3.904 20 5 GHBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001163942389 1026368793 /nfs/dbraw/zinc/36/87/93/1026368793.db2.gz WCGJBNHVDOUSBJ-SFHVURJKSA-N 1 1 386.496 3.696 20 5 GHBDMO Cc1nc(N(C)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001165133487 1026625901 /nfs/dbraw/zinc/62/59/01/1026625901.db2.gz YCIUIXPNRCCUSC-UHFFFAOYSA-N 1 1 389.459 3.603 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001165202066 1026663140 /nfs/dbraw/zinc/66/31/40/1026663140.db2.gz RRTGVXDFYPUHCU-JKSUJKDBSA-N 1 1 377.448 3.637 20 5 GHBDMO Cc1ccnc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1[N+](=O)[O-] ZINC001166571984 1027030659 /nfs/dbraw/zinc/03/06/59/1027030659.db2.gz LCSBYOKJEYAGTH-UHFFFAOYSA-N 1 1 383.839 3.826 20 5 GHBDMO CC(=O)C1(c2ccccc2)CCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC1 ZINC001166838059 1027102726 /nfs/dbraw/zinc/10/27/26/1027102726.db2.gz LRNKBKFSFGAFGP-FMIVXFBMSA-N 1 1 394.475 3.649 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000840164027 1027297311 /nfs/dbraw/zinc/29/73/11/1027297311.db2.gz RACYDAMXHXAKJY-INIZCTEOSA-N 1 1 398.385 3.583 20 5 GHBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000840164027 1027297316 /nfs/dbraw/zinc/29/73/16/1027297316.db2.gz RACYDAMXHXAKJY-INIZCTEOSA-N 1 1 398.385 3.583 20 5 GHBDMO C[N@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000841688433 1028836093 /nfs/dbraw/zinc/83/60/93/1028836093.db2.gz HIZGUFUCTKVDEM-MJGOQNOKSA-N 1 1 384.480 3.923 20 5 GHBDMO C[N@@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000841688433 1028836094 /nfs/dbraw/zinc/83/60/94/1028836094.db2.gz HIZGUFUCTKVDEM-MJGOQNOKSA-N 1 1 384.480 3.923 20 5 GHBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@H]2C1 ZINC001215270394 1029123890 /nfs/dbraw/zinc/12/38/90/1029123890.db2.gz UBROAXRWNIGPFB-PNHOKKKMSA-N 1 1 396.447 3.849 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001461526117 1069592662 /nfs/dbraw/zinc/59/26/62/1069592662.db2.gz ACIUFVKIHBMFKW-MRXNPFEDSA-N 1 1 383.448 3.990 20 5 GHBDMO COc1ccc(CSCC(=O)OC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000842836888 1029624675 /nfs/dbraw/zinc/62/46/75/1029624675.db2.gz SMQURTDKCDCHQH-MRXNPFEDSA-N 1 1 396.509 3.500 20 5 GHBDMO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@]1(O)CCc2ccccc21 ZINC000843420285 1029993913 /nfs/dbraw/zinc/99/39/13/1029993913.db2.gz AYXYOLIFOVBUKH-OAQYLSRUSA-N 1 1 395.484 3.984 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001222778720 1030305213 /nfs/dbraw/zinc/30/52/13/1030305213.db2.gz YODUUWFTYCLEKJ-HRAATJIYSA-N 1 1 398.459 3.809 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001150120174 1030405648 /nfs/dbraw/zinc/40/56/48/1030405648.db2.gz UEGMJMDYZCAOMS-WMLDXEAASA-N 1 1 391.537 3.946 20 5 GHBDMO COC(=O)c1cc(CO[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001223688375 1030706076 /nfs/dbraw/zinc/70/60/76/1030706076.db2.gz KWJDVVBDNJBHKE-KKSFZXQISA-N 1 1 398.459 3.809 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@H]4CC[C@@]45CC[NH2+]C5)ccc3c21 ZINC001218115717 1030780694 /nfs/dbraw/zinc/78/06/94/1030780694.db2.gz GSWFMKQZIMUNHI-AVRDEDQJSA-N 1 1 377.396 3.919 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001223871220 1030783900 /nfs/dbraw/zinc/78/39/00/1030783900.db2.gz XODNWGYGBOHYFS-MSOLQXFVSA-N 1 1 396.491 3.819 20 5 GHBDMO O=C1C[C@H]2C[C@H](OCCc3ccc([N+](=O)[O-])cc3)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001224334295 1030972092 /nfs/dbraw/zinc/97/20/92/1030972092.db2.gz VTZMAENGKSYBAS-NNWRFLSQSA-N 1 1 380.444 3.529 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001225450408 1031421948 /nfs/dbraw/zinc/42/19/48/1031421948.db2.gz GXOJAJQHLBZXIJ-DZFIZOCASA-N 1 1 396.443 3.956 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccc2c(c1)OCC2 ZINC001153361046 1031555870 /nfs/dbraw/zinc/55/58/70/1031555870.db2.gz YAWMFHPRDULOCT-UHFFFAOYSA-N 1 1 399.450 3.878 20 5 GHBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001220193269 1031828029 /nfs/dbraw/zinc/82/80/29/1031828029.db2.gz PLAGNUSKEADHHY-UHFFFAOYSA-N 1 1 389.843 3.955 20 5 GHBDMO COC(=O)Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001226216739 1031858702 /nfs/dbraw/zinc/85/87/02/1031858702.db2.gz KWLWLHMMYDDOAQ-UZLBHIALSA-N 1 1 398.459 3.600 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001229959535 1033816920 /nfs/dbraw/zinc/81/69/20/1033816920.db2.gz DRDARRFFTFYMQN-UZLBHIALSA-N 1 1 398.459 3.979 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001230251160 1033962617 /nfs/dbraw/zinc/96/26/17/1033962617.db2.gz LNMWVDGUEUGQDZ-MRXNPFEDSA-N 1 1 389.839 3.860 20 5 GHBDMO CCOc1cc(NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001207138082 1034121282 /nfs/dbraw/zinc/12/12/82/1034121282.db2.gz QRDHWTTYMIAKOE-OAQYLSRUSA-N 1 1 398.463 3.780 20 5 GHBDMO CC(=O)Cc1c(F)c(O[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)ccc1[N+](=O)[O-] ZINC001230797337 1034230311 /nfs/dbraw/zinc/23/03/11/1034230311.db2.gz XVHHINGASLTCAZ-OAHLLOKOSA-N 1 1 387.411 3.617 20 5 GHBDMO CC(=O)Cc1c(F)c(O[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)ccc1[N+](=O)[O-] ZINC001230797336 1034230534 /nfs/dbraw/zinc/23/05/34/1034230534.db2.gz XVHHINGASLTCAZ-HNNXBMFYSA-N 1 1 387.411 3.617 20 5 GHBDMO O=C(c1ccco1)N1CC[C@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232222828 1035169879 /nfs/dbraw/zinc/16/98/79/1035169879.db2.gz REPPDMVHEPJCTM-AZUAARDMSA-N 1 1 398.466 3.723 20 5 GHBDMO O=C1[C@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@H]2CN1c1ccccc1 ZINC001232222997 1035169980 /nfs/dbraw/zinc/16/99/80/1035169980.db2.gz SSOOJDUAYOXPHO-UGKGYDQZSA-N 1 1 394.478 3.878 20 5 GHBDMO COc1ccc(O[C@H]2CC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)nc1 ZINC001232225534 1035172310 /nfs/dbraw/zinc/17/23/10/1035172310.db2.gz DDSGBEIFENRQBJ-FQEVSTJZSA-N 1 1 386.455 3.840 20 5 GHBDMO C[NH+]1CCN(C(=O)c2cccc(-c3cnc4c(ccc5cccnc54)c3)c2)CC1 ZINC001241880138 1035740727 /nfs/dbraw/zinc/74/07/27/1035740727.db2.gz GODVMDBSBAWORS-UHFFFAOYSA-N 1 1 382.467 3.838 20 5 GHBDMO COc1ccc(C[C@@H](C)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001246601007 1037495246 /nfs/dbraw/zinc/49/52/46/1037495246.db2.gz FTLVCFPUGFIGSS-DYESRHJHSA-N 1 1 375.513 3.780 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[nH]nc2-c1nc2cc(F)ccc2n1CC1CC[NH2+]CC1 ZINC001247034963 1037856224 /nfs/dbraw/zinc/85/62/24/1037856224.db2.gz DQYUJSTXWJNHGN-UHFFFAOYSA-N 1 1 394.410 3.627 20 5 GHBDMO CCOc1ccc(-c2noc([C@@H]([NH3+])Cc3ccccc3[N+](=O)[O-])n2)c(F)c1F ZINC001247665274 1038301209 /nfs/dbraw/zinc/30/12/09/1038301209.db2.gz GELXSKSXYOLPCM-LBPRGKRZSA-N 1 1 390.346 3.564 20 5 GHBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001234405968 1040008829 /nfs/dbraw/zinc/00/88/29/1040008829.db2.gz DVQHTAGRURZFKT-JLVBRIDZSA-N 1 1 376.453 3.659 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001254537791 1040308293 /nfs/dbraw/zinc/30/82/93/1040308293.db2.gz HPPSNVWGHDEWDH-BBRMVZONSA-N 1 1 399.438 3.760 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(CC3CC3)c21 ZINC001254554514 1040322925 /nfs/dbraw/zinc/32/29/25/1040322925.db2.gz BCZWYSUPUOJECP-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(CC3CC3)c21 ZINC001254554514 1040322941 /nfs/dbraw/zinc/32/29/41/1040322941.db2.gz BCZWYSUPUOJECP-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001254560434 1040331900 /nfs/dbraw/zinc/33/19/00/1040331900.db2.gz SGVZFMRGVSYJPP-RMRDIRSESA-N 1 1 389.496 3.761 20 5 GHBDMO CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254562770 1040335806 /nfs/dbraw/zinc/33/58/06/1040335806.db2.gz UHLOYGQBFFBOJV-INIZCTEOSA-N 1 1 398.507 3.727 20 5 GHBDMO [NH3+]C1(Cc2cccc(Cl)c2)CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254588452 1040363046 /nfs/dbraw/zinc/36/30/46/1040363046.db2.gz YVFFGXVBQBNBNB-HXUWFJFHSA-N 1 1 385.895 3.751 20 5 GHBDMO CC[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001254608658 1040380247 /nfs/dbraw/zinc/38/02/47/1040380247.db2.gz RXXASQUXYGSQQK-OALUTQOASA-N 1 1 389.496 3.783 20 5 GHBDMO C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001254609409 1040381732 /nfs/dbraw/zinc/38/17/32/1040381732.db2.gz WHLCBRBYYSUQTB-CEXWTWQISA-N 1 1 389.496 3.830 20 5 GHBDMO COc1cc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc([N+](=O)[O-])c1 ZINC001255479566 1041080121 /nfs/dbraw/zinc/08/01/21/1041080121.db2.gz WYEABPIDVFCZAZ-OAHLLOKOSA-N 1 1 380.404 3.643 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@@H]3c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC001256094531 1041523922 /nfs/dbraw/zinc/52/39/22/1041523922.db2.gz JGWQCCSQESBWLP-LJQANCHMSA-N 1 1 382.464 3.804 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C)CCOc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001256099298 1041527474 /nfs/dbraw/zinc/52/74/74/1041527474.db2.gz NEDHPFRZLVGOGF-UHFFFAOYSA-N 1 1 385.464 3.583 20 5 GHBDMO C[NH+]1CCN(C(=O)c2ccc(-c3cc4cccnc4c4ncccc34)cc2)CC1 ZINC001236563270 1041764044 /nfs/dbraw/zinc/76/40/44/1041764044.db2.gz MSUBHJHNSGWDNW-UHFFFAOYSA-N 1 1 382.467 3.838 20 5 GHBDMO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001291928352 1043534536 /nfs/dbraw/zinc/53/45/36/1043534536.db2.gz IJXKAHUWZSHCIL-RTWAWAEBSA-N 1 1 385.508 3.813 20 5 GHBDMO CC(C)(CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC001292157158 1043607666 /nfs/dbraw/zinc/60/76/66/1043607666.db2.gz NOETWJZUSFQXFE-UHFFFAOYSA-N 1 1 399.466 3.620 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001294804382 1044800343 /nfs/dbraw/zinc/80/03/43/1044800343.db2.gz NQVOSIDFHMQWMO-QFBILLFUSA-N 1 1 397.475 3.775 20 5 GHBDMO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001295930213 1045193885 /nfs/dbraw/zinc/19/38/85/1045193885.db2.gz JQULHWYEAYYTML-UHFFFAOYSA-N 1 1 389.358 3.927 20 5 GHBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001296188584 1045277064 /nfs/dbraw/zinc/27/70/64/1045277064.db2.gz LVKNMRGZYRWXBW-INIZCTEOSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001296188584 1045277071 /nfs/dbraw/zinc/27/70/71/1045277071.db2.gz LVKNMRGZYRWXBW-INIZCTEOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@H](NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000566321022 1046033386 /nfs/dbraw/zinc/03/33/86/1046033386.db2.gz BWCNEFNCEDPIPX-HRAATJIYSA-N 1 1 382.464 3.620 20 5 GHBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001301033193 1046297547 /nfs/dbraw/zinc/29/75/47/1046297547.db2.gz IRXMLFKJWQBXMQ-DZGCQCFKSA-N 1 1 395.887 3.539 20 5 GHBDMO Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1[N+](=O)[O-] ZINC001302607841 1047002444 /nfs/dbraw/zinc/00/24/44/1047002444.db2.gz AQIPNWWKBDVTIO-FQEVSTJZSA-N 1 1 393.487 3.822 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C(F)F)c1 ZINC000702628444 1047706949 /nfs/dbraw/zinc/70/69/49/1047706949.db2.gz LWHJQOVRTVGWFK-LJQANCHMSA-N 1 1 377.391 3.581 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001266224081 1047718675 /nfs/dbraw/zinc/71/86/75/1047718675.db2.gz BYTGUIBFWCYZRG-CABCVRRESA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001266224081 1047718678 /nfs/dbraw/zinc/71/86/78/1047718678.db2.gz BYTGUIBFWCYZRG-CABCVRRESA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001266226416 1047719676 /nfs/dbraw/zinc/71/96/76/1047719676.db2.gz SFRFKSSBSQGRRK-DLBZAZTESA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001266226416 1047719682 /nfs/dbraw/zinc/71/96/82/1047719682.db2.gz SFRFKSSBSQGRRK-DLBZAZTESA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@@H]1C)[N@@H+](C)C1CC1 ZINC001305079237 1047881166 /nfs/dbraw/zinc/88/11/66/1047881166.db2.gz KUNAAYXTMOWNSM-OAGGEKHMSA-N 1 1 398.511 3.571 20 5 GHBDMO O=[N+]([O-])c1ccc(NCCCCN2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC001306934785 1048967198 /nfs/dbraw/zinc/96/71/98/1048967198.db2.gz FYLTYWFTTZOKFA-UHFFFAOYSA-N 1 1 386.471 3.744 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001306982991 1048991561 /nfs/dbraw/zinc/99/15/61/1048991561.db2.gz VFYFBNXSHGPLGE-QAPCUYQASA-N 1 1 383.448 3.704 20 5 GHBDMO Cn1c2ccccc2c(NC[C@H]2CC[N@H+]2C2CCCCCC2)c([N+](=O)[O-])c1=O ZINC001307191045 1049128726 /nfs/dbraw/zinc/12/87/26/1049128726.db2.gz MBUWLGZIKPQSPJ-MRXNPFEDSA-N 1 1 384.480 3.656 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccc(Cl)cc1 ZINC001307781373 1049587607 /nfs/dbraw/zinc/58/76/07/1049587607.db2.gz XQVLPPVOOULJPI-KRWDZBQOSA-N 1 1 387.867 3.744 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccc(Cl)cc1 ZINC001307781373 1049587619 /nfs/dbraw/zinc/58/76/19/1049587619.db2.gz XQVLPPVOOULJPI-KRWDZBQOSA-N 1 1 387.867 3.744 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C(C)(C)O)C2)cc1OC ZINC001308050367 1049798562 /nfs/dbraw/zinc/79/85/62/1049798562.db2.gz PDKZZDFPBDBWIE-ZBFHGGJFSA-N 1 1 380.485 3.621 20 5 GHBDMO COc1cc(CNC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308541449 1050003589 /nfs/dbraw/zinc/00/35/89/1050003589.db2.gz VGWJUBLYKAKVAW-IBGZPJMESA-N 1 1 399.491 3.756 20 5 GHBDMO COc1cc(CNC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308541449 1050003592 /nfs/dbraw/zinc/00/35/92/1050003592.db2.gz VGWJUBLYKAKVAW-IBGZPJMESA-N 1 1 399.491 3.756 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC001308629554 1050040777 /nfs/dbraw/zinc/04/07/77/1050040777.db2.gz UMYAXVIXPYBFSC-UHFFFAOYSA-N 1 1 383.477 3.539 20 5 GHBDMO CC[NH+](CC)CCCC1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001308683995 1050059176 /nfs/dbraw/zinc/05/91/76/1050059176.db2.gz FAMIAIBLNNIBOH-UHFFFAOYSA-N 1 1 379.501 3.643 20 5 GHBDMO C[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[N@H+](C2CCC2)C1 ZINC001328025522 1050363579 /nfs/dbraw/zinc/36/35/79/1050363579.db2.gz BQOLDBIMGNWMKD-LBPRGKRZSA-N 1 1 375.860 3.502 20 5 GHBDMO CC(C)([NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001331996504 1051433808 /nfs/dbraw/zinc/43/38/08/1051433808.db2.gz XVPFGXPMONMQCR-UHFFFAOYSA-N 1 1 396.900 3.566 20 5 GHBDMO Cc1c(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001336365197 1052263023 /nfs/dbraw/zinc/26/30/23/1052263023.db2.gz OPVWCRFAJSJQKJ-GFCCVEGCSA-N 1 1 386.374 3.624 20 5 GHBDMO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC001336856567 1052351110 /nfs/dbraw/zinc/35/11/10/1052351110.db2.gz OBBTXPKMCKNVIX-GFCCVEGCSA-N 1 1 386.481 3.935 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001319843027 1055500723 /nfs/dbraw/zinc/50/07/23/1055500723.db2.gz SCIINZIEESXAAX-SFHVURJKSA-N 1 1 396.491 3.621 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001322971536 1056899656 /nfs/dbraw/zinc/89/96/56/1056899656.db2.gz JHOMCHCNNWRCMP-MRXNPFEDSA-N 1 1 396.491 3.798 20 5 GHBDMO C[N@H+](C[C@H]1OCCc2ccccc21)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476836 1057114665 /nfs/dbraw/zinc/11/46/65/1057114665.db2.gz IOEWEBYCINQUDH-OAQYLSRUSA-N 1 1 378.432 3.662 20 5 GHBDMO C[N@@H+](C[C@H]1OCCc2ccccc21)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476836 1057114667 /nfs/dbraw/zinc/11/46/67/1057114667.db2.gz IOEWEBYCINQUDH-OAQYLSRUSA-N 1 1 378.432 3.662 20 5 GHBDMO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001324743742 1057217105 /nfs/dbraw/zinc/21/71/05/1057217105.db2.gz GHNUKVIJWJJJIT-OAHLLOKOSA-N 1 1 377.828 3.609 20 5 GHBDMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001324743742 1057217108 /nfs/dbraw/zinc/21/71/08/1057217108.db2.gz GHNUKVIJWJJJIT-OAHLLOKOSA-N 1 1 377.828 3.609 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC001449890137 1060475852 /nfs/dbraw/zinc/47/58/52/1060475852.db2.gz FBPYLYKVKORMFY-UHFFFAOYSA-N 1 1 385.386 3.704 20 5 GHBDMO C[C@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001341738203 1060849244 /nfs/dbraw/zinc/84/92/44/1060849244.db2.gz ADBBEDBTGBYGFR-QMMMGPOBSA-N 1 1 396.266 3.513 20 5 GHBDMO CCOc1ccc(C(=O)Nc2c[nH+]ccc2Nc2ccccc2)cc1[N+](=O)[O-] ZINC001452693588 1060987909 /nfs/dbraw/zinc/98/79/09/1060987909.db2.gz DHOSEWYQCOEGKD-UHFFFAOYSA-N 1 1 378.388 3.806 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)C2)cc1 ZINC001455008696 1061975680 /nfs/dbraw/zinc/97/56/80/1061975680.db2.gz GQBVJZFZHNACBV-INIZCTEOSA-N 1 1 387.867 3.869 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC001435309944 1062495330 /nfs/dbraw/zinc/49/53/30/1062495330.db2.gz PVHCLMUFNIWAAL-IBGZPJMESA-N 1 1 383.448 3.513 20 5 GHBDMO C[NH+](C)[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001435360558 1062541200 /nfs/dbraw/zinc/54/12/00/1062541200.db2.gz XGOKLZSFSTWWII-LJQANCHMSA-N 1 1 389.883 3.990 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001435562936 1062735081 /nfs/dbraw/zinc/73/50/81/1062735081.db2.gz JHZSGXZXCDPNAT-OAHLLOKOSA-N 1 1 388.237 3.508 20 5 GHBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2c3ccccc3cc3ccccc32)[C@H](C)C1 ZINC001435715379 1062876070 /nfs/dbraw/zinc/87/60/70/1062876070.db2.gz QQEAQNHGNMKIEQ-QGZVFWFLSA-N 1 1 390.483 3.702 20 5 GHBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2c3ccccc3cc3ccccc32)[C@H](C)C1 ZINC001435715379 1062876100 /nfs/dbraw/zinc/87/61/00/1062876100.db2.gz QQEAQNHGNMKIEQ-QGZVFWFLSA-N 1 1 390.483 3.702 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccc(F)cc1 ZINC001348258471 1062969936 /nfs/dbraw/zinc/96/99/36/1062969936.db2.gz FDRQOJMSLAKMBE-WMLDXEAASA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccc(F)cc1 ZINC001348258471 1062969937 /nfs/dbraw/zinc/96/99/37/1062969937.db2.gz FDRQOJMSLAKMBE-WMLDXEAASA-N 1 1 377.803 3.563 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001457086530 1062971408 /nfs/dbraw/zinc/97/14/08/1062971408.db2.gz BERCBDGONFNZDE-KXBFYZLASA-N 1 1 385.439 3.683 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001457422635 1063168315 /nfs/dbraw/zinc/16/83/15/1063168315.db2.gz OJBUOGTVLYCNEJ-OAHLLOKOSA-N 1 1 387.505 3.957 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001457991484 1063490535 /nfs/dbraw/zinc/49/05/35/1063490535.db2.gz GSBPPVCUXZUTBE-HUUCEWRRSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001457991484 1063490551 /nfs/dbraw/zinc/49/05/51/1063490551.db2.gz GSBPPVCUXZUTBE-HUUCEWRRSA-N 1 1 387.867 3.983 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCC[NH+]1CCN(c2ccccc2)CC1 ZINC001458097253 1063563031 /nfs/dbraw/zinc/56/30/31/1063563031.db2.gz SGPNLLHKIHLNKK-UHFFFAOYSA-N 1 1 394.397 3.848 20 5 GHBDMO Cc1c(CC(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001437027875 1063743051 /nfs/dbraw/zinc/74/30/51/1063743051.db2.gz JMGXUAGOLVGVNL-OAQYLSRUSA-N 1 1 395.503 3.957 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC[N@@H+](Cc3ccccc3)CCOCC2)c(F)c1 ZINC001458665735 1063914929 /nfs/dbraw/zinc/91/49/29/1063914929.db2.gz IHASZGSUDBQUIW-UHFFFAOYSA-N 1 1 391.418 3.602 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001438200130 1064004967 /nfs/dbraw/zinc/00/49/67/1064004967.db2.gz WRXCSBOIESUSGY-MAODMQOUSA-N 1 1 379.460 3.604 20 5 GHBDMO CCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC001459359714 1064074747 /nfs/dbraw/zinc/07/47/47/1064074747.db2.gz ZBWSVLVREQYXAU-PMACEKPBSA-N 1 1 384.476 3.604 20 5 GHBDMO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001438576220 1064075806 /nfs/dbraw/zinc/07/58/06/1064075806.db2.gz VOLZWWDLCGHUOL-SFHVURJKSA-N 1 1 399.516 3.858 20 5 GHBDMO Cc1cccc(C2=CC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c1 ZINC001459816470 1064229667 /nfs/dbraw/zinc/22/96/67/1064229667.db2.gz GVDJMAJIRLQZFX-NRFANRHFSA-N 1 1 377.444 3.798 20 5 GHBDMO Cc1cccc(C2=CC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c1 ZINC001459816470 1064229680 /nfs/dbraw/zinc/22/96/80/1064229680.db2.gz GVDJMAJIRLQZFX-NRFANRHFSA-N 1 1 377.444 3.798 20 5 GHBDMO CCOC(=O)c1[nH]c(C)c(C(=O)C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)c1C ZINC001459864409 1064247984 /nfs/dbraw/zinc/24/79/84/1064247984.db2.gz YFQAOJRZDKELCY-MRXNPFEDSA-N 1 1 387.436 3.640 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001465074016 1065374429 /nfs/dbraw/zinc/37/44/29/1065374429.db2.gz FSJZFGMRNOXGQT-ZDUSSCGKSA-N 1 1 399.438 3.827 20 5 GHBDMO C[C@@H](Nc1ccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000847826902 1066218582 /nfs/dbraw/zinc/21/85/82/1066218582.db2.gz ZZRPQUQFKPCERP-CVEARBPZSA-N 1 1 398.463 3.662 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001357631835 1067206899 /nfs/dbraw/zinc/20/68/99/1067206899.db2.gz RPIOSEFQULUCQU-FXAWDEMLSA-N 1 1 393.487 3.968 20 5 GHBDMO CCC[N@@H+](CCc1cccs1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC001473359811 1067460199 /nfs/dbraw/zinc/46/01/99/1067460199.db2.gz DGKFUNSLORLWGY-CQSZACIVSA-N 1 1 391.493 3.947 20 5 GHBDMO C[C@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001478110006 1078722860 /nfs/dbraw/zinc/72/28/60/1078722860.db2.gz BGNWMRHCHCKAFW-MSOLQXFVSA-N 1 1 398.507 3.908 20 5 GHBDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001460257498 1068889968 /nfs/dbraw/zinc/88/99/68/1068889968.db2.gz LVUPTLLNBHIGAY-IBGZPJMESA-N 1 1 379.460 3.752 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001460303222 1068915364 /nfs/dbraw/zinc/91/53/64/1068915364.db2.gz WEULJEJIAJKWKN-ZWKOTPCHSA-N 1 1 383.448 3.547 20 5 GHBDMO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccc(Br)c1 ZINC001460660228 1069066225 /nfs/dbraw/zinc/06/62/25/1069066225.db2.gz HIHDAMQLCQBSSC-MRXNPFEDSA-N 1 1 395.253 3.843 20 5 GHBDMO Cc1cc2c(cc1Br)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001460829420 1069206115 /nfs/dbraw/zinc/20/61/15/1069206115.db2.gz UZRQXYKIOYKHGH-GOSISDBHSA-N 1 1 391.265 3.757 20 5 GHBDMO Cc1cc2c(cc1Br)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001460829420 1069206123 /nfs/dbraw/zinc/20/61/23/1069206123.db2.gz UZRQXYKIOYKHGH-GOSISDBHSA-N 1 1 391.265 3.757 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001471826634 1073228322 /nfs/dbraw/zinc/22/83/22/1073228322.db2.gz QAMXMJUNOLUMNF-GJZGRUSLSA-N 1 1 377.510 3.551 20 5 GHBDMO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC001472735047 1073642451 /nfs/dbraw/zinc/64/24/51/1073642451.db2.gz MWNREBXAOMRXAH-CYBMUJFWSA-N 1 1 375.391 3.551 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N(C)C[C@@H]3CCC[N@H+]3C)c([N+](=O)[O-])c2)cc1 ZINC001472812135 1073676418 /nfs/dbraw/zinc/67/64/18/1073676418.db2.gz ZGSPLRHYFYWTIX-SFHVURJKSA-N 1 1 382.464 3.686 20 5 GHBDMO COC(=O)/C=C/c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001472859335 1073697988 /nfs/dbraw/zinc/69/79/88/1073697988.db2.gz FWEMLBTXYPXULH-RQMBKDMJSA-N 1 1 395.459 3.776 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)CC2 ZINC001473218092 1073867364 /nfs/dbraw/zinc/86/73/64/1073867364.db2.gz OCUSVPHFIMDJFM-KRWDZBQOSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)CC2 ZINC001473218092 1073867373 /nfs/dbraw/zinc/86/73/73/1073867373.db2.gz OCUSVPHFIMDJFM-KRWDZBQOSA-N 1 1 397.258 3.700 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473283377 1073905334 /nfs/dbraw/zinc/90/53/34/1073905334.db2.gz PRQQYIBHRKDICD-QZTJIDSGSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1Cc1ccccc1 ZINC001473283377 1073905336 /nfs/dbraw/zinc/90/53/36/1073905336.db2.gz PRQQYIBHRKDICD-QZTJIDSGSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1Cc1ccccc1 ZINC001473283377 1073905339 /nfs/dbraw/zinc/90/53/39/1073905339.db2.gz PRQQYIBHRKDICD-QZTJIDSGSA-N 1 1 396.491 3.518 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001473506989 1073993564 /nfs/dbraw/zinc/99/35/64/1073993564.db2.gz QWWICQYPDQLRGZ-VKJFTORMSA-N 1 1 383.448 3.808 20 5 GHBDMO COC[C@H](C)[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCc2ccccc21 ZINC001473691145 1074089731 /nfs/dbraw/zinc/08/97/31/1074089731.db2.gz DJOZADHLQLKCTA-HRAATJIYSA-N 1 1 397.475 3.866 20 5 GHBDMO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(F)ccc1OC ZINC001473814058 1074156932 /nfs/dbraw/zinc/15/69/32/1074156932.db2.gz XHJRXQOXSMBSIW-ROUUACIJSA-N 1 1 387.411 3.589 20 5 GHBDMO COc1c(O)ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1[N+](=O)[O-] ZINC001474360721 1074363068 /nfs/dbraw/zinc/36/30/68/1074363068.db2.gz SXJGBXROGCQDEO-GOSISDBHSA-N 1 1 398.415 3.638 20 5 GHBDMO COc1c(O)ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1[N+](=O)[O-] ZINC001474360721 1074363075 /nfs/dbraw/zinc/36/30/75/1074363075.db2.gz SXJGBXROGCQDEO-GOSISDBHSA-N 1 1 398.415 3.638 20 5 GHBDMO CCOc1cccc(N2CC[NH+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001474378301 1074373525 /nfs/dbraw/zinc/37/35/25/1074373525.db2.gz PFVBITDQACMIIY-VKAVYKQESA-N 1 1 382.464 3.614 20 5 GHBDMO O=[N+]([O-])c1sc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cc1Br ZINC001474634323 1074492381 /nfs/dbraw/zinc/49/23/81/1074492381.db2.gz SBUWJULANJLQPK-NSHDSACASA-N 1 1 388.331 3.915 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc1Br ZINC001474634323 1074492389 /nfs/dbraw/zinc/49/23/89/1074492389.db2.gz SBUWJULANJLQPK-NSHDSACASA-N 1 1 388.331 3.915 20 5 GHBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824771135 608463058 /nfs/dbraw/zinc/46/30/58/608463058.db2.gz PKJAOSYTKFMJGL-AWEZNQCLSA-N 1 1 376.420 3.625 20 5 GHBDMO CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825419135 608549193 /nfs/dbraw/zinc/54/91/93/608549193.db2.gz IDEVHXYQPOTAJW-LYASGUKUSA-N 1 1 378.436 3.871 20 5 GHBDMO C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1n1ccnc1 ZINC000180607884 837388750 /nfs/dbraw/zinc/38/87/50/837388750.db2.gz AYULUCKZPMOJRX-KDOFPFPSSA-N 1 1 383.477 3.998 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1n1ccnc1 ZINC000180607884 837388761 /nfs/dbraw/zinc/38/87/61/837388761.db2.gz AYULUCKZPMOJRX-KDOFPFPSSA-N 1 1 383.477 3.998 20 5 GHBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000581218208 837483322 /nfs/dbraw/zinc/48/33/22/837483322.db2.gz OPJLNFXCSMLZAO-HOTGVXAUSA-N 1 1 387.505 3.618 20 5 GHBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000581218209 837483737 /nfs/dbraw/zinc/48/37/37/837483737.db2.gz OPJLNFXCSMLZAO-HZPDHXFCSA-N 1 1 387.505 3.618 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000581696501 837581409 /nfs/dbraw/zinc/58/14/09/837581409.db2.gz NQRMTDZKRQTEJH-UHFFFAOYSA-N 1 1 382.464 3.549 20 5 GHBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000180858102 837605991 /nfs/dbraw/zinc/60/59/91/837605991.db2.gz LYBRNYWHDZMJTL-NEPJUHHUSA-N 1 1 395.253 3.820 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CN3CCC[N@@H+](Cc4ccc(F)cc4)CC3)nc2c1 ZINC000176997048 837699266 /nfs/dbraw/zinc/69/92/66/837699266.db2.gz QZIYZYZZYCDPSQ-UHFFFAOYSA-N 1 1 384.411 3.583 20 5 GHBDMO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000126831428 834386370 /nfs/dbraw/zinc/38/63/70/834386370.db2.gz QISMKWQVNJSXFI-DFNIBXOVSA-N 1 1 398.459 3.670 20 5 GHBDMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000126831428 834386383 /nfs/dbraw/zinc/38/63/83/834386383.db2.gz QISMKWQVNJSXFI-DFNIBXOVSA-N 1 1 398.459 3.670 20 5 GHBDMO 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ZINC000458220350 844472549 /nfs/dbraw/zinc/47/25/49/844472549.db2.gz PAVGMMZVCVHQCL-OAHLLOKOSA-N 1 1 379.526 3.949 20 5 GHBDMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092588275 839822520 /nfs/dbraw/zinc/82/25/20/839822520.db2.gz MHPKRQJAVRKNMV-GFCCVEGCSA-N 1 1 377.828 3.738 20 5 GHBDMO C[C@]1(C[NH3+])CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000261916973 839874150 /nfs/dbraw/zinc/87/41/50/839874150.db2.gz YGAQCUCIBYVXPF-JOCHJYFZSA-N 1 1 391.475 3.618 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCN(c2ccccc2)C1 ZINC000177795060 839902436 /nfs/dbraw/zinc/90/24/36/839902436.db2.gz ZCQXCHCIDRVQTA-IBGZPJMESA-N 1 1 383.448 3.562 20 5 GHBDMO CCOc1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579768959 839970232 /nfs/dbraw/zinc/97/02/32/839970232.db2.gz YWXSQMCSYUXRSF-RTWAWAEBSA-N 1 1 395.503 3.947 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610451682 840023709 /nfs/dbraw/zinc/02/37/09/840023709.db2.gz ZGQQUXGLNOSFPI-KRWDZBQOSA-N 1 1 397.475 3.558 20 5 GHBDMO Cc1cccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000015100212 840173805 /nfs/dbraw/zinc/17/38/05/840173805.db2.gz JBISBINPFDSRCU-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1cccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000015100212 840173817 /nfs/dbraw/zinc/17/38/17/840173817.db2.gz JBISBINPFDSRCU-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO CSC[C@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566790011 840442494 /nfs/dbraw/zinc/44/24/94/840442494.db2.gz SQGJJRNFOFBNOE-GFCCVEGCSA-N 1 1 392.262 3.527 20 5 GHBDMO CSC[C@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566790011 840442498 /nfs/dbraw/zinc/44/24/98/840442498.db2.gz SQGJJRNFOFBNOE-GFCCVEGCSA-N 1 1 392.262 3.527 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000120571061 844547039 /nfs/dbraw/zinc/54/70/39/844547039.db2.gz UNVTUXFAUVTTQF-UGSOOPFHSA-N 1 1 389.477 3.755 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000120571061 844547048 /nfs/dbraw/zinc/54/70/48/844547048.db2.gz UNVTUXFAUVTTQF-UGSOOPFHSA-N 1 1 389.477 3.755 20 5 GHBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000580985176 840559364 /nfs/dbraw/zinc/55/93/64/840559364.db2.gz QUIOSSAARFFLPG-HXUWFJFHSA-N 1 1 396.491 3.696 20 5 GHBDMO COc1ccc(CC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000109964783 840595208 /nfs/dbraw/zinc/59/52/08/840595208.db2.gz JQHVZFIKBZMTFM-INIZCTEOSA-N 1 1 397.475 3.885 20 5 GHBDMO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000157046250 841046381 /nfs/dbraw/zinc/04/63/81/841046381.db2.gz SJBTWAQJGFMEDZ-HKUYNNGSSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000157045946 841047019 /nfs/dbraw/zinc/04/70/19/841047019.db2.gz SJBTWAQJGFMEDZ-PKOBYXMFSA-N 1 1 396.491 3.518 20 5 GHBDMO COc1cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000453622750 844613521 /nfs/dbraw/zinc/61/35/21/844613521.db2.gz OAUMGIJKLCERLK-UHFFFAOYSA-N 1 1 398.410 3.597 20 5 GHBDMO COc1cc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000453622750 844613530 /nfs/dbraw/zinc/61/35/30/844613530.db2.gz OAUMGIJKLCERLK-UHFFFAOYSA-N 1 1 398.410 3.597 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000123031522 841216385 /nfs/dbraw/zinc/21/63/85/841216385.db2.gz WJYCOIPDGWWNKE-CVEARBPZSA-N 1 1 390.484 3.722 20 5 GHBDMO Cc1cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc([N+](=O)[O-])c1 ZINC000299312168 841371919 /nfs/dbraw/zinc/37/19/19/841371919.db2.gz CSXNSMOKUQURPM-UHFFFAOYSA-N 1 1 379.460 3.566 20 5 GHBDMO Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000891419164 841549709 /nfs/dbraw/zinc/54/97/09/841549709.db2.gz NDGLTNLDOMMMBT-UHFFFAOYSA-N 1 1 376.460 3.950 20 5 GHBDMO CNC(=O)c1ccc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000053571959 841806086 /nfs/dbraw/zinc/80/60/86/841806086.db2.gz UYGDDJIKFSCIMT-MRXNPFEDSA-N 1 1 396.491 3.941 20 5 GHBDMO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110384004 841902228 /nfs/dbraw/zinc/90/22/28/841902228.db2.gz QZGQBZOBSSAUBO-IHWFROFDSA-N 1 1 379.460 3.829 20 5 GHBDMO CC[NH+]1CCN(C[C@H](C)CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302240998 861249954 /nfs/dbraw/zinc/24/99/54/861249954.db2.gz NPVOLRPKTKXMPD-GFCCVEGCSA-N 1 1 375.300 3.587 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489812548 861250766 /nfs/dbraw/zinc/25/07/66/861250766.db2.gz VOCBBAQAXMJQBJ-IBGZPJMESA-N 1 1 394.475 3.543 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489812550 861251092 /nfs/dbraw/zinc/25/10/92/861251092.db2.gz VOCBBAQAXMJQBJ-LJQANCHMSA-N 1 1 394.475 3.543 20 5 GHBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604520680 842055279 /nfs/dbraw/zinc/05/52/79/842055279.db2.gz BCCWQFCPAOTNOR-UWJYYQICSA-N 1 1 383.448 3.633 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000541988201 842068517 /nfs/dbraw/zinc/06/85/17/842068517.db2.gz XPIUYMNZRIDYAJ-QAPCUYQASA-N 1 1 391.512 3.697 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000510462200 842160477 /nfs/dbraw/zinc/16/04/77/842160477.db2.gz WAICACDPDPINKQ-RISCZKNCSA-N 1 1 398.301 3.611 20 5 GHBDMO Cc1cccc(OC[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C(C)C)c1 ZINC001167486989 842363828 /nfs/dbraw/zinc/36/38/28/842363828.db2.gz DAKAEXRQZHLGDE-QGZVFWFLSA-N 1 1 376.428 3.693 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Cl ZINC000049409465 842497834 /nfs/dbraw/zinc/49/78/34/842497834.db2.gz ULUABTCQMVEKIJ-INIZCTEOSA-N 1 1 382.247 3.934 20 5 GHBDMO CC[N@@H+](c1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1)C(C)C ZINC000302706713 861330057 /nfs/dbraw/zinc/33/00/57/861330057.db2.gz JYCTUFYCCWXBSL-UHFFFAOYSA-N 1 1 377.466 3.977 20 5 GHBDMO CC[N@H+](c1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1)C(C)C ZINC000302706713 861330072 /nfs/dbraw/zinc/33/00/72/861330072.db2.gz JYCTUFYCCWXBSL-UHFFFAOYSA-N 1 1 377.466 3.977 20 5 GHBDMO C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+]1CCC[C@H](C)C1 ZINC000581923231 842698496 /nfs/dbraw/zinc/69/84/96/842698496.db2.gz IWHFPDPDOFBWAL-HOTGVXAUSA-N 1 1 377.488 3.532 20 5 GHBDMO COCC[N@@H+](CCc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899865 842895253 /nfs/dbraw/zinc/89/52/53/842895253.db2.gz UGVQLYFUVHLZRY-UHFFFAOYSA-N 1 1 380.448 3.607 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC2(CCCCC2)C1 ZINC000430758488 842942713 /nfs/dbraw/zinc/94/27/13/842942713.db2.gz AWGQMCPMBGHDDQ-UHFFFAOYSA-N 1 1 377.510 3.984 20 5 GHBDMO COc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510643737 843121449 /nfs/dbraw/zinc/12/14/49/843121449.db2.gz HNHYHIPKDUEINS-WOJBJXKFSA-N 1 1 398.459 3.936 20 5 GHBDMO COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510643737 843121451 /nfs/dbraw/zinc/12/14/51/843121451.db2.gz HNHYHIPKDUEINS-WOJBJXKFSA-N 1 1 398.459 3.936 20 5 GHBDMO CC1CCC(OC2CC[NH+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)CC1 ZINC000731027049 861415901 /nfs/dbraw/zinc/41/59/01/861415901.db2.gz RKNVMRFKXQGFFY-UHFFFAOYSA-N 1 1 399.495 3.871 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc([N+](=O)[O-])c1OC ZINC000279898330 843462559 /nfs/dbraw/zinc/46/25/59/843462559.db2.gz FKTLYAIWNMEXRD-UHFFFAOYSA-N 1 1 393.827 3.579 20 5 GHBDMO COc1ccc(C[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000051709618 843589212 /nfs/dbraw/zinc/58/92/12/843589212.db2.gz OHXDUWNSXQNIET-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000051709618 843589217 /nfs/dbraw/zinc/58/92/17/843589217.db2.gz OHXDUWNSXQNIET-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599642468 861439141 /nfs/dbraw/zinc/43/91/41/861439141.db2.gz VIWXUIMLSJIRKT-UHFFFAOYSA-N 1 1 386.452 3.709 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431163916 843747495 /nfs/dbraw/zinc/74/74/95/843747495.db2.gz ZZGOWJJQFHWRMA-ZDUSSCGKSA-N 1 1 398.301 3.599 20 5 GHBDMO CSc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000614445752 844892020 /nfs/dbraw/zinc/89/20/20/844892020.db2.gz NLIHECWHVBYNCE-MRXNPFEDSA-N 1 1 385.489 3.663 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000131640798 861535913 /nfs/dbraw/zinc/53/59/13/861535913.db2.gz WZVXUVBZRRSZGV-MRXNPFEDSA-N 1 1 382.464 3.654 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000131640798 861535921 /nfs/dbraw/zinc/53/59/21/861535921.db2.gz WZVXUVBZRRSZGV-MRXNPFEDSA-N 1 1 382.464 3.654 20 5 GHBDMO Cc1cc2ncn(C[C@@H](O)C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2cc1C ZINC000513400100 845368464 /nfs/dbraw/zinc/36/84/64/845368464.db2.gz ARHSOHIPUQCSSR-FQEVSTJZSA-N 1 1 396.491 3.833 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000292111656 845425510 /nfs/dbraw/zinc/42/55/10/845425510.db2.gz HAFAHMWCMXAYBZ-LSDHHAIUSA-N 1 1 385.468 3.512 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000538568025 845520969 /nfs/dbraw/zinc/52/09/69/845520969.db2.gz KYCAPUDTMMTQRQ-DYVFJYSZSA-N 1 1 377.510 3.700 20 5 GHBDMO C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182901698 845604918 /nfs/dbraw/zinc/60/49/18/845604918.db2.gz VERXLLIFNCEULL-DLBZAZTESA-N 1 1 388.512 3.556 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000478031352 845831788 /nfs/dbraw/zinc/83/17/88/845831788.db2.gz UVHTUOVPWVGNAB-QZTJIDSGSA-N 1 1 375.469 3.511 20 5 GHBDMO COc1cc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000551734328 846492484 /nfs/dbraw/zinc/49/24/84/846492484.db2.gz DPYOWZMMFHLJPQ-UHFFFAOYSA-N 1 1 377.391 3.594 20 5 GHBDMO CC[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)[N@H+]1CCc2ccccc2C1 ZINC000501393425 846887140 /nfs/dbraw/zinc/88/71/40/846887140.db2.gz ZLZLJCCHCJKTNK-GOSISDBHSA-N 1 1 382.464 3.862 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C(F)(F)F)c1 ZINC000413289506 847100558 /nfs/dbraw/zinc/10/05/58/847100558.db2.gz YODXKOQHGLMEEF-GFCCVEGCSA-N 1 1 395.385 3.925 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599830925 861756855 /nfs/dbraw/zinc/75/68/55/861756855.db2.gz ZQRNXDIJDRUQJF-UHFFFAOYSA-N 1 1 385.468 3.727 20 5 GHBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000599832785 861761542 /nfs/dbraw/zinc/76/15/42/861761542.db2.gz JTFKSTIWWXFWSN-HUUCEWRRSA-N 1 1 397.479 3.918 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000511141866 847422294 /nfs/dbraw/zinc/42/22/94/847422294.db2.gz WZMWWOLTIXSKMI-UHFFFAOYSA-N 1 1 393.443 3.896 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000511141866 847422306 /nfs/dbraw/zinc/42/23/06/847422306.db2.gz WZMWWOLTIXSKMI-UHFFFAOYSA-N 1 1 393.443 3.896 20 5 GHBDMO COc1ccc(CNCC[NH+]2CCCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237137501 847468362 /nfs/dbraw/zinc/46/83/62/847468362.db2.gz KBIWWOICVZXBRI-UHFFFAOYSA-N 1 1 399.491 3.758 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000582520951 847473650 /nfs/dbraw/zinc/47/36/50/847473650.db2.gz ATKCKOVPPLMKLT-FASAQXTFSA-N 1 1 387.867 3.913 20 5 GHBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000582520951 847473660 /nfs/dbraw/zinc/47/36/60/847473660.db2.gz ATKCKOVPPLMKLT-FASAQXTFSA-N 1 1 387.867 3.913 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000162617965 861854982 /nfs/dbraw/zinc/85/49/82/861854982.db2.gz ZKECWXWEEYYZAC-OAHLLOKOSA-N 1 1 379.526 3.805 20 5 GHBDMO Cc1cncc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 ZINC000613042838 848865414 /nfs/dbraw/zinc/86/54/14/848865414.db2.gz GJKIQBOMYAIZGG-UHFFFAOYSA-N 1 1 395.488 3.744 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000583090782 849048765 /nfs/dbraw/zinc/04/87/65/849048765.db2.gz MROPTZPUJGOGQD-UHFFFAOYSA-N 1 1 396.834 3.759 20 5 GHBDMO C[C@@H](CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000536010862 849787318 /nfs/dbraw/zinc/78/73/18/849787318.db2.gz CRQHYASTEHXQHN-KRWDZBQOSA-N 1 1 396.491 3.573 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000425277238 850066664 /nfs/dbraw/zinc/06/66/64/850066664.db2.gz FDCRLLYWYVIUCM-HNNXBMFYSA-N 1 1 387.461 3.533 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487246304 850597773 /nfs/dbraw/zinc/59/77/73/850597773.db2.gz HQBXHYYGZVLRHU-HNNXBMFYSA-N 1 1 383.473 3.713 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCOc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000027690662 850682008 /nfs/dbraw/zinc/68/20/08/850682008.db2.gz DHAOGJHKHQYGDO-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000027690662 850682013 /nfs/dbraw/zinc/68/20/13/850682013.db2.gz DHAOGJHKHQYGDO-AWEZNQCLSA-N 1 1 391.855 3.894 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000505253880 850760230 /nfs/dbraw/zinc/76/02/30/850760230.db2.gz IIZXTWRDYXUOPS-DAXSKMNVSA-N 1 1 381.476 3.825 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000061571169 862191231 /nfs/dbraw/zinc/19/12/31/862191231.db2.gz TVEOZLFYIDOBIY-UHFFFAOYSA-N 1 1 396.472 3.877 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000604472181 862213898 /nfs/dbraw/zinc/21/38/98/862213898.db2.gz IZFMCULESMXWQW-KRWDZBQOSA-N 1 1 393.443 3.983 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436119951 851224994 /nfs/dbraw/zinc/22/49/94/851224994.db2.gz UZHWPCVITLGRDP-ZDUSSCGKSA-N 1 1 399.441 3.564 20 5 GHBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436136530 851247166 /nfs/dbraw/zinc/24/71/66/851247166.db2.gz HPYXMCSVEAWRMX-HZPDHXFCSA-N 1 1 377.488 3.532 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000519523173 851257331 /nfs/dbraw/zinc/25/73/31/851257331.db2.gz AYLRMDOGZUIBJL-HNNXBMFYSA-N 1 1 399.441 3.514 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000514182640 851335587 /nfs/dbraw/zinc/33/55/87/851335587.db2.gz IMGAEOBNGJUWLU-GOSISDBHSA-N 1 1 397.475 3.948 20 5 GHBDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000434621517 851338511 /nfs/dbraw/zinc/33/85/11/851338511.db2.gz UDLLRZRCPJCENU-PXNSSMCTSA-N 1 1 376.428 3.803 20 5 GHBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436282810 851405248 /nfs/dbraw/zinc/40/52/48/851405248.db2.gz KBZFZVQAQAQGKO-OXQOHEQNSA-N 1 1 388.512 3.699 20 5 GHBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000436282810 851405251 /nfs/dbraw/zinc/40/52/51/851405251.db2.gz KBZFZVQAQAQGKO-OXQOHEQNSA-N 1 1 388.512 3.699 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000505793515 851457693 /nfs/dbraw/zinc/45/76/93/851457693.db2.gz UWRDYEYFNSODLB-ZDUSSCGKSA-N 1 1 376.482 3.668 20 5 GHBDMO CC(C)(NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000488395560 851463960 /nfs/dbraw/zinc/46/39/60/851463960.db2.gz HHDVQIJDNSTWIR-SFHVURJKSA-N 1 1 396.491 3.794 20 5 GHBDMO CC(C)(NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000488395558 851464001 /nfs/dbraw/zinc/46/40/01/851464001.db2.gz HHDVQIJDNSTWIR-GOSISDBHSA-N 1 1 396.491 3.794 20 5 GHBDMO Cc1cc(-c2noc([C@@H](C)[NH2+]CCOc3ccccc3[N+](=O)[O-])n2)ccc1F ZINC000543543361 851697679 /nfs/dbraw/zinc/69/76/79/851697679.db2.gz BYKAPPPAIXXRBC-CYBMUJFWSA-N 1 1 386.383 3.822 20 5 GHBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)[nH+]1 ZINC000489219133 852141614 /nfs/dbraw/zinc/14/16/14/852141614.db2.gz BZFLZAWPMRMZIA-UHFFFAOYSA-N 1 1 388.493 3.888 20 5 GHBDMO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1=O ZINC000550255866 852147984 /nfs/dbraw/zinc/14/79/84/852147984.db2.gz VYGQTEBRXYZGLL-LRDDRELGSA-N 1 1 377.441 3.637 20 5 GHBDMO CC[C@H](NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000489611399 852487530 /nfs/dbraw/zinc/48/75/30/852487530.db2.gz AWZYCTXCYKLSGD-IBGZPJMESA-N 1 1 397.479 3.718 20 5 GHBDMO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)s1 ZINC000438546418 852540193 /nfs/dbraw/zinc/54/01/93/852540193.db2.gz LTUBGHILFAATEI-UHFFFAOYSA-N 1 1 383.477 3.539 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000507165148 852614259 /nfs/dbraw/zinc/61/42/59/852614259.db2.gz NUYWPKSMHYXWQU-INIZCTEOSA-N 1 1 383.448 3.730 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000505924750 852615586 /nfs/dbraw/zinc/61/55/86/852615586.db2.gz KHOWRJNRWQUKGV-ZWKOTPCHSA-N 1 1 398.507 3.663 20 5 GHBDMO Cc1cc2ncn(C[C@H](O)C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)c2cc1C ZINC000490014563 852724638 /nfs/dbraw/zinc/72/46/38/852724638.db2.gz QRFDFNRZLJEGIK-HXUWFJFHSA-N 1 1 394.475 3.587 20 5 GHBDMO CC(C)(NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000490375742 852989785 /nfs/dbraw/zinc/98/97/85/852989785.db2.gz QMZQJXRYFCIYEL-KRWDZBQOSA-N 1 1 388.512 3.926 20 5 GHBDMO COc1ccc(CNC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000518269809 853143190 /nfs/dbraw/zinc/14/31/90/853143190.db2.gz NMMQNQWWLUXVIP-OAQYLSRUSA-N 1 1 383.492 3.776 20 5 GHBDMO COc1ccc(CNC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000518269809 853143193 /nfs/dbraw/zinc/14/31/93/853143193.db2.gz NMMQNQWWLUXVIP-OAQYLSRUSA-N 1 1 383.492 3.776 20 5 GHBDMO Cc1cc2ncn(C[C@@H](O)C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2cc1C ZINC000490848894 853308440 /nfs/dbraw/zinc/30/84/40/853308440.db2.gz XVTGDSJXXKANAA-FQEVSTJZSA-N 1 1 394.475 3.587 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)[C@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000425911135 853572931 /nfs/dbraw/zinc/57/29/31/853572931.db2.gz ARGSVPOGHJPZLE-CQSZACIVSA-N 1 1 391.493 3.947 20 5 GHBDMO CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760652746 853581591 /nfs/dbraw/zinc/58/15/91/853581591.db2.gz GCOCGPBNUQTJOZ-KRWDZBQOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000517369223 853717959 /nfs/dbraw/zinc/71/79/59/853717959.db2.gz JVFFZRUGIDYQQZ-OAHLLOKOSA-N 1 1 385.439 3.896 20 5 GHBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729482705 853745476 /nfs/dbraw/zinc/74/54/76/853745476.db2.gz CTJYCQAOPLIMPI-QGZVFWFLSA-N 1 1 393.484 3.825 20 5 GHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000156526935 853840985 /nfs/dbraw/zinc/84/09/85/853840985.db2.gz IVAOWHOVWXZSSL-WBMJQRKESA-N 1 1 378.860 3.729 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000843763928 853850271 /nfs/dbraw/zinc/85/02/71/853850271.db2.gz NYFGMSNOHCKBTL-UHFFFAOYSA-N 1 1 385.439 3.609 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000018935255 853983720 /nfs/dbraw/zinc/98/37/20/853983720.db2.gz BQOSTGQDHPZGGZ-IBGZPJMESA-N 1 1 383.448 3.941 20 5 GHBDMO COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)[NH+]2CCCC2)cc1 ZINC000045116103 854249713 /nfs/dbraw/zinc/24/97/13/854249713.db2.gz QQKQEYZCPGTRTA-KRWDZBQOSA-N 1 1 389.477 3.540 20 5 GHBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000163874076 862589721 /nfs/dbraw/zinc/58/97/21/862589721.db2.gz PMGWULDBGIWHIT-UHFFFAOYSA-N 1 1 377.510 3.797 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000056459149 854738952 /nfs/dbraw/zinc/73/89/52/854738952.db2.gz NVKIURINZGPUKK-KRWDZBQOSA-N 1 1 396.491 3.969 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)sc2C1 ZINC000273067814 855050371 /nfs/dbraw/zinc/05/03/71/855050371.db2.gz UWNFAJQEYRQKIN-UHFFFAOYSA-N 1 1 386.433 3.816 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)sc2C1 ZINC000273067814 855050376 /nfs/dbraw/zinc/05/03/76/855050376.db2.gz UWNFAJQEYRQKIN-UHFFFAOYSA-N 1 1 386.433 3.816 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000590145787 855297111 /nfs/dbraw/zinc/29/71/11/855297111.db2.gz VMZXFVHFCAUOFT-KRWDZBQOSA-N 1 1 387.505 3.997 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000427590415 855575555 /nfs/dbraw/zinc/57/55/55/855575555.db2.gz ADUFZGKDAWHJCA-FUHWJXTLSA-N 1 1 397.475 3.729 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591148852 855797182 /nfs/dbraw/zinc/79/71/82/855797182.db2.gz FUNAWMGCDLICKE-AWEZNQCLSA-N 1 1 380.370 3.719 20 5 GHBDMO CC(C)c1[nH+]ccn1CCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427608171 855840031 /nfs/dbraw/zinc/84/00/31/855840031.db2.gz WRTKEINVTFHBSE-UHFFFAOYSA-N 1 1 384.358 3.640 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@H]1C ZINC000462490058 855900847 /nfs/dbraw/zinc/90/08/47/855900847.db2.gz MZXDSXQRSSFTQJ-AEFFLSMTSA-N 1 1 384.480 3.878 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000053086109 855902202 /nfs/dbraw/zinc/90/22/02/855902202.db2.gz XQIMCGNABLMCDO-AWEZNQCLSA-N 1 1 391.830 3.693 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000045806407 856029716 /nfs/dbraw/zinc/02/97/16/856029716.db2.gz LBXDFZLTSGUKDF-AWEZNQCLSA-N 1 1 387.436 3.634 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000045806407 856029723 /nfs/dbraw/zinc/02/97/23/856029723.db2.gz LBXDFZLTSGUKDF-AWEZNQCLSA-N 1 1 387.436 3.634 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000485195111 856213517 /nfs/dbraw/zinc/21/35/17/856213517.db2.gz OZSYSSFFLCYRQL-UHFFFAOYSA-N 1 1 385.306 3.701 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1c1ccc(Cl)cc1Cl ZINC000474010521 856253622 /nfs/dbraw/zinc/25/36/22/856253622.db2.gz NMKJGZHQOVLUQZ-HNNXBMFYSA-N 1 1 398.221 3.936 20 5 GHBDMO O=C(NCc1cccc([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000171904994 856304084 /nfs/dbraw/zinc/30/40/84/856304084.db2.gz CHSVOOJIAAZDCD-IHWFROFDSA-N 1 1 394.475 3.590 20 5 GHBDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000172942518 856676356 /nfs/dbraw/zinc/67/63/56/856676356.db2.gz XEGPTZSTYXBIJG-NRFANRHFSA-N 1 1 396.468 3.878 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000592144374 856696052 /nfs/dbraw/zinc/69/60/52/856696052.db2.gz AIQCKROWRVQWRV-INIZCTEOSA-N 1 1 388.317 3.846 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccc(C)nc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000592145848 856710084 /nfs/dbraw/zinc/71/00/84/856710084.db2.gz FLNPYAVTGVJDFZ-UHFFFAOYSA-N 1 1 398.463 3.548 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](Cc2ccc(C)nc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000592145848 856710089 /nfs/dbraw/zinc/71/00/89/856710089.db2.gz FLNPYAVTGVJDFZ-UHFFFAOYSA-N 1 1 398.463 3.548 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000592145801 856710294 /nfs/dbraw/zinc/71/02/94/856710294.db2.gz BMNZQDMXBBQVOU-UHFFFAOYSA-N 1 1 398.463 3.548 20 5 GHBDMO C[N@@H+](CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000173134045 856759438 /nfs/dbraw/zinc/75/94/38/856759438.db2.gz IYKVZCLIDKGNHD-UHFFFAOYSA-N 1 1 395.381 3.866 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000245431208 856834481 /nfs/dbraw/zinc/83/44/81/856834481.db2.gz APDKUWJPWXPSTE-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000245431208 856834487 /nfs/dbraw/zinc/83/44/87/856834487.db2.gz APDKUWJPWXPSTE-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO CCc1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000173355800 856884999 /nfs/dbraw/zinc/88/49/99/856884999.db2.gz PNGWYPPJXGIHHA-UHFFFAOYSA-N 1 1 385.489 3.958 20 5 GHBDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000058524100 856954402 /nfs/dbraw/zinc/95/44/02/856954402.db2.gz JKUDTOIIFGKKGO-FCEUIQTBSA-N 1 1 384.476 3.993 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000245619297 857008348 /nfs/dbraw/zinc/00/83/48/857008348.db2.gz DRBFTGGEGHEYOX-QSFXBCCZSA-N 1 1 382.464 3.709 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245724109 857146154 /nfs/dbraw/zinc/14/61/54/857146154.db2.gz IMQVFGZHUFYBEQ-PKOBYXMFSA-N 1 1 392.477 3.642 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245724109 857146157 /nfs/dbraw/zinc/14/61/57/857146157.db2.gz IMQVFGZHUFYBEQ-PKOBYXMFSA-N 1 1 392.477 3.642 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)c1 ZINC000593029845 857185153 /nfs/dbraw/zinc/18/51/53/857185153.db2.gz UOIVMCQENDVBNM-ZDUSSCGKSA-N 1 1 388.420 3.558 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000593068009 857194859 /nfs/dbraw/zinc/19/48/59/857194859.db2.gz CDETXAXQGKIJSQ-JXFKEZNVSA-N 1 1 399.466 3.788 20 5 GHBDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000593041253 857195792 /nfs/dbraw/zinc/19/57/92/857195792.db2.gz PBRCOKWIKVDMIA-OAQYLSRUSA-N 1 1 399.422 3.696 20 5 GHBDMO COc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1[N+](=O)[O-] ZINC000542961436 857201422 /nfs/dbraw/zinc/20/14/22/857201422.db2.gz KJACLMFPFNAFSQ-UHFFFAOYSA-N 1 1 399.382 3.558 20 5 GHBDMO CC(=O)c1ccccc1OCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174249328 857234306 /nfs/dbraw/zinc/23/43/06/857234306.db2.gz WVBKYWJJKUODJV-UHFFFAOYSA-N 1 1 384.432 3.720 20 5 GHBDMO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248113 857234428 /nfs/dbraw/zinc/23/44/28/857234428.db2.gz JSPDWMAXVFBXPE-INIZCTEOSA-N 1 1 383.448 3.774 20 5 GHBDMO COc1ccc(C[NH+]2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)cc1[N+](=O)[O-] ZINC000593076686 857338004 /nfs/dbraw/zinc/33/80/04/857338004.db2.gz DNKCTOYCJMBBNQ-CJNGLKHVSA-N 1 1 386.452 3.565 20 5 GHBDMO CC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000246332020 857350686 /nfs/dbraw/zinc/35/06/86/857350686.db2.gz CXNHQVKJJHHUKI-FFZOFVMBSA-N 1 1 386.496 3.704 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000543900170 857416266 /nfs/dbraw/zinc/41/62/66/857416266.db2.gz WEPIJLDTYHXTCO-UHFFFAOYSA-N 1 1 397.475 3.730 20 5 GHBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000521330983 857891547 /nfs/dbraw/zinc/89/15/47/857891547.db2.gz OGCVWYYNLQAVRH-UONOGXRCSA-N 1 1 397.903 3.642 20 5 GHBDMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027367777 857915037 /nfs/dbraw/zinc/91/50/37/857915037.db2.gz VMEMVKMWROHVJV-FQEVSTJZSA-N 1 1 395.459 3.720 20 5 GHBDMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027367777 857915046 /nfs/dbraw/zinc/91/50/46/857915046.db2.gz VMEMVKMWROHVJV-FQEVSTJZSA-N 1 1 395.459 3.720 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000114197005 857935249 /nfs/dbraw/zinc/93/52/49/857935249.db2.gz DYMRQXPMMSGTLP-UHFFFAOYSA-N 1 1 387.484 3.589 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000114193141 857935919 /nfs/dbraw/zinc/93/59/19/857935919.db2.gz HNEFWHSUZAVHBW-NRFANRHFSA-N 1 1 397.475 3.604 20 5 GHBDMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000027420848 858036286 /nfs/dbraw/zinc/03/62/86/858036286.db2.gz AKESUQVBOSBNKV-FQEVSTJZSA-N 1 1 395.459 3.720 20 5 GHBDMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000027420848 858036294 /nfs/dbraw/zinc/03/62/94/858036294.db2.gz AKESUQVBOSBNKV-FQEVSTJZSA-N 1 1 395.459 3.720 20 5 GHBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[N@@H+](C)C1CC1 ZINC000132326848 858218135 /nfs/dbraw/zinc/21/81/35/858218135.db2.gz KWKHTWZVNJSZDG-ZDUSSCGKSA-N 1 1 377.510 3.842 20 5 GHBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000592798096 858245993 /nfs/dbraw/zinc/24/59/93/858245993.db2.gz PWWVZAHHSIDGEL-JTQLQIEISA-N 1 1 381.230 3.706 20 5 GHBDMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255838821 858275130 /nfs/dbraw/zinc/27/51/30/858275130.db2.gz JSBLBDARLCHELS-UTCJRWHESA-N 1 1 383.423 3.595 20 5 GHBDMO O=C(c1ccc(F)cc1)N1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255838821 858275137 /nfs/dbraw/zinc/27/51/37/858275137.db2.gz JSBLBDARLCHELS-UTCJRWHESA-N 1 1 383.423 3.595 20 5 GHBDMO CCOc1c(OC)cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000595015498 858351186 /nfs/dbraw/zinc/35/11/86/858351186.db2.gz ONHWLCSPCMNTIJ-CYBMUJFWSA-N 1 1 390.436 3.870 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000595009204 858365218 /nfs/dbraw/zinc/36/52/18/858365218.db2.gz BCXLTILIYHQWSP-MJGOQNOKSA-N 1 1 383.492 3.819 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000595008066 858365380 /nfs/dbraw/zinc/36/53/80/858365380.db2.gz PGAYORFZIXNFNL-LLVKDONJSA-N 1 1 378.812 3.879 20 5 GHBDMO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033194 858374934 /nfs/dbraw/zinc/37/49/34/858374934.db2.gz BOPDKPOFZQWYIJ-HUUCEWRRSA-N 1 1 392.477 3.507 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000595049069 858379114 /nfs/dbraw/zinc/37/91/14/858379114.db2.gz UHWXKVPDRFBKJA-FZKQIMNGSA-N 1 1 382.420 3.929 20 5 GHBDMO COc1cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301881854 858508427 /nfs/dbraw/zinc/50/84/27/858508427.db2.gz WIZKSPREKRSWEK-UHFFFAOYSA-N 1 1 377.391 3.594 20 5 GHBDMO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000131013036 858542527 /nfs/dbraw/zinc/54/25/27/858542527.db2.gz AUGJPFRARYYTAF-YLJYHZDGSA-N 1 1 387.867 3.661 20 5 GHBDMO Cc1c(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000131013036 858542534 /nfs/dbraw/zinc/54/25/34/858542534.db2.gz AUGJPFRARYYTAF-YLJYHZDGSA-N 1 1 387.867 3.661 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000595540325 858560899 /nfs/dbraw/zinc/56/08/99/858560899.db2.gz PNTBAOYSHCFHRC-OAHLLOKOSA-N 1 1 376.350 3.915 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000595540325 858560905 /nfs/dbraw/zinc/56/09/05/858560905.db2.gz PNTBAOYSHCFHRC-OAHLLOKOSA-N 1 1 376.350 3.915 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000595540322 858560969 /nfs/dbraw/zinc/56/09/69/858560969.db2.gz PNTBAOYSHCFHRC-HNNXBMFYSA-N 1 1 376.350 3.915 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000595540322 858560974 /nfs/dbraw/zinc/56/09/74/858560974.db2.gz PNTBAOYSHCFHRC-HNNXBMFYSA-N 1 1 376.350 3.915 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908446 858714371 /nfs/dbraw/zinc/71/43/71/858714371.db2.gz IJFMSPFXGAJZKO-PNHOKKKMSA-N 1 1 384.436 3.598 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000543181820 858757884 /nfs/dbraw/zinc/75/78/84/858757884.db2.gz NNVDALKHRHGPCP-LIRRHRJNSA-N 1 1 399.447 3.634 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000543181820 858757888 /nfs/dbraw/zinc/75/78/88/858757888.db2.gz NNVDALKHRHGPCP-LIRRHRJNSA-N 1 1 399.447 3.634 20 5 GHBDMO CN(Cc1c(F)cccc1Cl)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429261551 858847116 /nfs/dbraw/zinc/84/71/16/858847116.db2.gz FZJYQPPSTMNDPG-UHFFFAOYSA-N 1 1 393.846 3.871 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1c[nH]c2ccccc12 ZINC000190490937 858866028 /nfs/dbraw/zinc/86/60/28/858866028.db2.gz GYVOXEOKPXBKPM-UHFFFAOYSA-N 1 1 396.447 3.935 20 5 GHBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000482827263 858887944 /nfs/dbraw/zinc/88/79/44/858887944.db2.gz QVJQIPXKKVXVER-NHCUHLMSSA-N 1 1 395.459 3.620 20 5 GHBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466281376 858954302 /nfs/dbraw/zinc/95/43/02/858954302.db2.gz REMMHOWCHVNKMM-QGZVFWFLSA-N 1 1 387.867 3.777 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000482914616 858964281 /nfs/dbraw/zinc/96/42/81/858964281.db2.gz IKHJSJGULHMBPS-GOSISDBHSA-N 1 1 397.475 3.506 20 5 GHBDMO Cc1cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)cc([N+](=O)[O-])c1 ZINC000596614316 858968858 /nfs/dbraw/zinc/96/88/58/858968858.db2.gz OZYOTVSPBYRMAN-BEFAXECRSA-N 1 1 394.431 3.915 20 5 GHBDMO Cc1cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)cc([N+](=O)[O-])c1 ZINC000596614316 858968870 /nfs/dbraw/zinc/96/88/70/858968870.db2.gz OZYOTVSPBYRMAN-BEFAXECRSA-N 1 1 394.431 3.915 20 5 GHBDMO Cc1c(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000596889866 859128513 /nfs/dbraw/zinc/12/85/13/859128513.db2.gz ZHGBHFCFQUEHCE-LBPRGKRZSA-N 1 1 399.289 3.660 20 5 GHBDMO C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248540535 859131551 /nfs/dbraw/zinc/13/15/51/859131551.db2.gz BGLFRZKLKONXNL-VYDXJSESSA-N 1 1 399.495 3.948 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483104784 859141555 /nfs/dbraw/zinc/14/15/55/859141555.db2.gz JEOUFCZJAOJIAP-HNNXBMFYSA-N 1 1 387.411 3.561 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483111309 859155221 /nfs/dbraw/zinc/15/52/21/859155221.db2.gz MYXIBDIXDMNXAF-ZFWWWQNUSA-N 1 1 387.411 3.559 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483111309 859155232 /nfs/dbraw/zinc/15/52/32/859155232.db2.gz MYXIBDIXDMNXAF-ZFWWWQNUSA-N 1 1 387.411 3.559 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596956886 859194077 /nfs/dbraw/zinc/19/40/77/859194077.db2.gz ZNVIDMGTCZEFDY-HXUWFJFHSA-N 1 1 394.475 3.543 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](Oc3ncccc3C)C2)c([N+](=O)[O-])c1 ZINC001170354862 881393500 /nfs/dbraw/zinc/39/35/00/881393500.db2.gz QUCFMQASBLUVBM-APWZRJJASA-N 1 1 385.464 3.781 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)CCCCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170354635 881395047 /nfs/dbraw/zinc/39/50/47/881395047.db2.gz MXWOWLKPSWNBFI-HNNXBMFYSA-N 1 1 395.500 3.771 20 5 GHBDMO COc1cc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)ccc1[N+](=O)[O-] ZINC000160878808 859307783 /nfs/dbraw/zinc/30/77/83/859307783.db2.gz WHEPXJAHGLXLAY-UHFFFAOYSA-N 1 1 390.465 3.688 20 5 GHBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCC2 ZINC000121133674 859343244 /nfs/dbraw/zinc/34/32/44/859343244.db2.gz BNSPPLFPBIGKOO-ZWKOTPCHSA-N 1 1 376.453 3.631 20 5 GHBDMO COCCC1C[NH+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000597184432 859343760 /nfs/dbraw/zinc/34/37/60/859343760.db2.gz WKRVJDGKLAGWMQ-UHFFFAOYSA-N 1 1 386.448 3.651 20 5 GHBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597228938 859363676 /nfs/dbraw/zinc/36/36/76/859363676.db2.gz QNWXQASVRUGACS-OAHLLOKOSA-N 1 1 385.489 3.768 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1(CO)CC1 ZINC000597255897 859378983 /nfs/dbraw/zinc/37/89/83/859378983.db2.gz QEVOLFZVCXATSF-UHFFFAOYSA-N 1 1 381.226 3.574 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)s1 ZINC000597252011 859398115 /nfs/dbraw/zinc/39/81/15/859398115.db2.gz HGFPCODVCFVMNM-NFBGWVBBSA-N 1 1 387.461 3.731 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)s1 ZINC000597252011 859398119 /nfs/dbraw/zinc/39/81/19/859398119.db2.gz HGFPCODVCFVMNM-NFBGWVBBSA-N 1 1 387.461 3.731 20 5 GHBDMO CSc1cccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000593336477 859449338 /nfs/dbraw/zinc/44/93/38/859449338.db2.gz HMBJOQYRCGIIJQ-FQEVSTJZSA-N 1 1 385.489 3.711 20 5 GHBDMO CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127775670 859486049 /nfs/dbraw/zinc/48/60/49/859486049.db2.gz GIZVVHUGCWIPLL-BHIFYINESA-N 1 1 393.487 3.821 20 5 GHBDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1F ZINC000161036920 859498443 /nfs/dbraw/zinc/49/84/43/859498443.db2.gz WOUUTCVZHKVSQY-BZNIZROVSA-N 1 1 393.390 3.950 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000764633086 859541082 /nfs/dbraw/zinc/54/10/82/859541082.db2.gz XNBPRYDCBAPICL-JIPZTSHUSA-N 1 1 399.466 3.929 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000474231884 859654982 /nfs/dbraw/zinc/65/49/82/859654982.db2.gz LVBPKXZURNOSGD-VQIMIIECSA-N 1 1 397.431 3.703 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000474231884 859654987 /nfs/dbraw/zinc/65/49/87/859654987.db2.gz LVBPKXZURNOSGD-VQIMIIECSA-N 1 1 397.431 3.703 20 5 GHBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611265571 859672757 /nfs/dbraw/zinc/67/27/57/859672757.db2.gz GEPXDCCQJIOZHP-KBPBESRZSA-N 1 1 377.510 3.794 20 5 GHBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611265571 859672759 /nfs/dbraw/zinc/67/27/59/859672759.db2.gz GEPXDCCQJIOZHP-KBPBESRZSA-N 1 1 377.510 3.794 20 5 GHBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)c2C1 ZINC000764933169 859689204 /nfs/dbraw/zinc/68/92/04/859689204.db2.gz FNKWYNVCNOYBLO-UHFFFAOYSA-N 1 1 393.447 3.555 20 5 GHBDMO Cc1nn(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764955422 859697224 /nfs/dbraw/zinc/69/72/24/859697224.db2.gz OTUHUDXAGQNBOH-OAHLLOKOSA-N 1 1 385.493 3.651 20 5 GHBDMO C[C@@H](c1cccc(Nc2ncnc3cccc([N+](=O)[O-])c32)c1)[NH+]1CCOCC1 ZINC000543435589 859712303 /nfs/dbraw/zinc/71/23/03/859712303.db2.gz KUUYIBLRUWMLKB-AWEZNQCLSA-N 1 1 379.420 3.675 20 5 GHBDMO CCOc1cc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])ccc1O ZINC000895610954 859716897 /nfs/dbraw/zinc/71/68/97/859716897.db2.gz NOUVXNNJMBUTCS-UHFFFAOYSA-N 1 1 381.226 3.751 20 5 GHBDMO CCc1ccc([C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000484356761 859971906 /nfs/dbraw/zinc/97/19/06/859971906.db2.gz VFZGJEYNEKPVRP-FQEVSTJZSA-N 1 1 383.448 3.559 20 5 GHBDMO CCc1ccc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000484356761 859971909 /nfs/dbraw/zinc/97/19/09/859971909.db2.gz VFZGJEYNEKPVRP-FQEVSTJZSA-N 1 1 383.448 3.559 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602470461 860045334 /nfs/dbraw/zinc/04/53/34/860045334.db2.gz YYYTWPZUICZRCF-HNNXBMFYSA-N 1 1 382.468 3.639 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3CO)o2)c(Br)c1 ZINC000092470904 860057391 /nfs/dbraw/zinc/05/73/91/860057391.db2.gz KQJZQXIRJJQTQA-GFCCVEGCSA-N 1 1 381.226 3.574 20 5 GHBDMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092588276 860082292 /nfs/dbraw/zinc/08/22/92/860082292.db2.gz MHPKRQJAVRKNMV-LBPRGKRZSA-N 1 1 377.828 3.738 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123777159 860082409 /nfs/dbraw/zinc/08/24/09/860082409.db2.gz QIHAAKIERWLSMV-CABCVRRESA-N 1 1 394.431 3.943 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123777159 860082419 /nfs/dbraw/zinc/08/24/19/860082419.db2.gz QIHAAKIERWLSMV-CABCVRRESA-N 1 1 394.431 3.943 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CNCC3CC[NH+](Cc4cccs4)CC3)nc2c1 ZINC000602529388 860099124 /nfs/dbraw/zinc/09/91/24/860099124.db2.gz BFYULKQQQTXPMV-UHFFFAOYSA-N 1 1 386.477 3.799 20 5 GHBDMO O=[N+]([O-])c1sc(C[NH2+]Cc2ccnc(OC(F)F)c2)cc1Br ZINC000602650270 860179913 /nfs/dbraw/zinc/17/99/13/860179913.db2.gz DSRKQRMUJMZJQB-UHFFFAOYSA-N 1 1 394.197 3.705 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[N@H+]1C ZINC000124086113 860226088 /nfs/dbraw/zinc/22/60/88/860226088.db2.gz NXMABBKAILUGCZ-HZPDHXFCSA-N 1 1 383.448 3.942 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000602713906 860226926 /nfs/dbraw/zinc/22/69/26/860226926.db2.gz GMPCGCQIJLYZLH-INIZCTEOSA-N 1 1 381.354 3.800 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000602713906 860226935 /nfs/dbraw/zinc/22/69/35/860226935.db2.gz GMPCGCQIJLYZLH-INIZCTEOSA-N 1 1 381.354 3.800 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598398349 860282544 /nfs/dbraw/zinc/28/25/44/860282544.db2.gz ZYFQAWBNEJJPKU-FQEVSTJZSA-N 1 1 393.487 3.556 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598511554 860371691 /nfs/dbraw/zinc/37/16/91/860371691.db2.gz SRCQCTTUSHJXFV-QGZVFWFLSA-N 1 1 385.489 3.711 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000598511554 860371699 /nfs/dbraw/zinc/37/16/99/860371699.db2.gz SRCQCTTUSHJXFV-QGZVFWFLSA-N 1 1 385.489 3.711 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598558827 860395133 /nfs/dbraw/zinc/39/51/33/860395133.db2.gz DRMPLSFXTUSMPN-INIZCTEOSA-N 1 1 391.537 3.947 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)cc1 ZINC000155213807 860443348 /nfs/dbraw/zinc/44/33/48/860443348.db2.gz HQJYKDAVSDXGSP-INIZCTEOSA-N 1 1 380.404 3.643 20 5 GHBDMO Cc1c(CN2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cccc1[N+](=O)[O-] ZINC000856598331 881571474 /nfs/dbraw/zinc/57/14/74/881571474.db2.gz HOYMWNXTRPBPMC-OAQYLSRUSA-N 1 1 398.507 3.792 20 5 GHBDMO Cc1c(CN2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cccc1[N+](=O)[O-] ZINC000856598331 881571485 /nfs/dbraw/zinc/57/14/85/881571485.db2.gz HOYMWNXTRPBPMC-OAQYLSRUSA-N 1 1 398.507 3.792 20 5 GHBDMO O=[N+]([O-])c1c(NCc2ccccc2C[NH+]2CCOCC2)ccc2cnccc21 ZINC000599019852 860743226 /nfs/dbraw/zinc/74/32/26/860743226.db2.gz JMFWMCZEANQWBQ-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CSc2cccc([N+](=O)[O-])c2)CC1 ZINC000509088218 860943448 /nfs/dbraw/zinc/94/34/48/860943448.db2.gz AQRGNUGIGWMHNK-UHFFFAOYSA-N 1 1 399.516 3.730 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000603667858 860997053 /nfs/dbraw/zinc/99/70/53/860997053.db2.gz ZJMIZRIUHGMBMB-KRWDZBQOSA-N 1 1 397.475 3.522 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000603667822 860997274 /nfs/dbraw/zinc/99/72/74/860997274.db2.gz RWDQEJXCFYNNQP-KRWDZBQOSA-N 1 1 397.475 3.522 20 5 GHBDMO C[C@H]1[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000557039189 881610623 /nfs/dbraw/zinc/61/06/23/881610623.db2.gz YINXKOOYKZRZFS-QFBILLFUSA-N 1 1 381.476 3.652 20 5 GHBDMO CC1(C)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000609192547 881612836 /nfs/dbraw/zinc/61/28/36/881612836.db2.gz NRDJFCVPSTXODR-UHFFFAOYSA-N 1 1 399.516 3.810 20 5 GHBDMO CC1(C)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000609192547 881612843 /nfs/dbraw/zinc/61/28/43/881612843.db2.gz NRDJFCVPSTXODR-UHFFFAOYSA-N 1 1 399.516 3.810 20 5 GHBDMO Cc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302042873 861183637 /nfs/dbraw/zinc/18/36/37/861183637.db2.gz IZXQXWGMKBERDF-SFHVURJKSA-N 1 1 392.459 3.630 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000733754367 863146455 /nfs/dbraw/zinc/14/64/55/863146455.db2.gz YJVFYXPZEDKOPB-JKSUJKDBSA-N 1 1 376.526 3.878 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H](O)C[C@@H]3c3cccc(F)c3)o2)c1 ZINC000281628735 863293167 /nfs/dbraw/zinc/29/31/67/863293167.db2.gz HZSVJBRRSHVDLI-RBUKOAKNSA-N 1 1 397.406 3.739 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000444214135 863687558 /nfs/dbraw/zinc/68/75/58/863687558.db2.gz QUHASRXYRRJSMH-VMWRSERWSA-N 1 1 389.496 3.901 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000475103992 864203912 /nfs/dbraw/zinc/20/39/12/864203912.db2.gz OFINWXFQRCXKQV-JARZOMNASA-N 1 1 396.443 3.824 20 5 GHBDMO COc1cc(C)[nH+]c(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 ZINC000792900416 881786050 /nfs/dbraw/zinc/78/60/50/881786050.db2.gz VONUSBRITXIPPF-UHFFFAOYSA-N 1 1 392.253 3.628 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000554846496 865009690 /nfs/dbraw/zinc/00/96/90/865009690.db2.gz YWQVIQKIXCSGDH-HNNXBMFYSA-N 1 1 385.386 3.978 20 5 GHBDMO COc1ccc([C@H]2[C@H](COC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC[N@H+]2C)cc1 ZINC000735906339 865046506 /nfs/dbraw/zinc/04/65/06/865046506.db2.gz XPERLPSMVHUBJG-PXNSSMCTSA-N 1 1 384.432 3.762 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)c1ccc(C)cc1 ZINC000173832596 865094085 /nfs/dbraw/zinc/09/40/85/865094085.db2.gz ZFACOFHCUCTHMF-SFHVURJKSA-N 1 1 391.855 3.551 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)c1ccc(C)cc1 ZINC000173832596 865094096 /nfs/dbraw/zinc/09/40/96/865094096.db2.gz ZFACOFHCUCTHMF-SFHVURJKSA-N 1 1 391.855 3.551 20 5 GHBDMO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594232844 865494619 /nfs/dbraw/zinc/49/46/19/865494619.db2.gz IFHMROBZCZJIOS-CQSZACIVSA-N 1 1 391.374 3.657 20 5 GHBDMO CC[NH+]1CCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2F)CC1 ZINC000545667045 865991586 /nfs/dbraw/zinc/99/15/86/865991586.db2.gz VVGQIUYJKKCENU-UHFFFAOYSA-N 1 1 397.410 3.593 20 5 GHBDMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)s1 ZINC000185359093 866013422 /nfs/dbraw/zinc/01/34/22/866013422.db2.gz RWDGOJVQYXLYBI-OAHLLOKOSA-N 1 1 380.857 3.693 20 5 GHBDMO COc1ccc([C@@H]2[C@@H](COC(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000741122506 866248673 /nfs/dbraw/zinc/24/86/73/866248673.db2.gz CJKJXAHXLOTFLU-AUUYWEPGSA-N 1 1 388.395 3.592 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000475552967 866250843 /nfs/dbraw/zinc/25/08/43/866250843.db2.gz NICJKSXAKUKGQX-UHFFFAOYSA-N 1 1 394.427 3.932 20 5 GHBDMO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)Cc1ccccc1Cl ZINC000475564516 866310961 /nfs/dbraw/zinc/31/09/61/866310961.db2.gz UDGZZUWHORHRFQ-UHFFFAOYSA-N 1 1 392.839 3.822 20 5 GHBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)Cc1ccccc1Cl ZINC000475564516 866310977 /nfs/dbraw/zinc/31/09/77/866310977.db2.gz UDGZZUWHORHRFQ-UHFFFAOYSA-N 1 1 392.839 3.822 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000456297074 866361466 /nfs/dbraw/zinc/36/14/66/866361466.db2.gz BVVWAHZPFCUBIY-QGZVFWFLSA-N 1 1 397.475 3.588 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000475580345 866397995 /nfs/dbraw/zinc/39/79/95/866397995.db2.gz YHYHTFGSTGXBHL-INIZCTEOSA-N 1 1 386.448 3.956 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)nc1-c1ccncc1 ZINC000742147851 867081281 /nfs/dbraw/zinc/08/12/81/867081281.db2.gz NPGPIYXZPKAUMS-LJQANCHMSA-N 1 1 377.448 3.908 20 5 GHBDMO O=[N+]([O-])c1cn(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)nc1-c1ccncc1 ZINC000742147095 867083375 /nfs/dbraw/zinc/08/33/75/867083375.db2.gz BHMKQCOXAUVGMC-UHFFFAOYSA-N 1 1 399.401 3.969 20 5 GHBDMO COc1ccc(CNCC[N@@H+]2CCC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000742387818 867254399 /nfs/dbraw/zinc/25/43/99/867254399.db2.gz XNWARRIHRULTOR-KRWDZBQOSA-N 1 1 399.491 3.756 20 5 GHBDMO COc1ccc(CNCC[N@H+]2CCC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000742387818 867254412 /nfs/dbraw/zinc/25/44/12/867254412.db2.gz XNWARRIHRULTOR-KRWDZBQOSA-N 1 1 399.491 3.756 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1cccs1 ZINC000444829895 867278660 /nfs/dbraw/zinc/27/86/60/867278660.db2.gz PZWVYQDTQRGSBR-SFHVURJKSA-N 1 1 391.496 3.776 20 5 GHBDMO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000546266546 867591345 /nfs/dbraw/zinc/59/13/45/867591345.db2.gz ZYCBZFDYJZIHFZ-UHFFFAOYSA-N 1 1 383.448 3.688 20 5 GHBDMO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000546266546 867591359 /nfs/dbraw/zinc/59/13/59/867591359.db2.gz ZYCBZFDYJZIHFZ-UHFFFAOYSA-N 1 1 383.448 3.688 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2NCC[N@@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000553535434 867595687 /nfs/dbraw/zinc/59/56/87/867595687.db2.gz GQLSNLNZCNLCMG-UHFFFAOYSA-N 1 1 389.868 3.723 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2NCC[N@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000553535434 867595699 /nfs/dbraw/zinc/59/56/99/867595699.db2.gz GQLSNLNZCNLCMG-UHFFFAOYSA-N 1 1 389.868 3.723 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000534860841 867660448 /nfs/dbraw/zinc/66/04/48/867660448.db2.gz TXUVDFYUXGEHIH-IRXDYDNUSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000534860841 867660452 /nfs/dbraw/zinc/66/04/52/867660452.db2.gz TXUVDFYUXGEHIH-IRXDYDNUSA-N 1 1 377.803 3.563 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743408748 868188287 /nfs/dbraw/zinc/18/82/87/868188287.db2.gz MCHFRCRHXXPGHD-LJQANCHMSA-N 1 1 393.491 3.746 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000479883770 868679251 /nfs/dbraw/zinc/67/92/51/868679251.db2.gz GIXDCGKGSZUJPB-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000479883770 868679259 /nfs/dbraw/zinc/67/92/59/868679259.db2.gz GIXDCGKGSZUJPB-QGZVFWFLSA-N 1 1 383.448 3.557 20 5 GHBDMO CCc1ccc([C@H]([NH2+]C[C@@H](CO)c2cccnc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000554075262 868709537 /nfs/dbraw/zinc/70/95/37/868709537.db2.gz VLIMSCXJIFSTQF-LAUBAEHRSA-N 1 1 381.432 3.600 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459812019 869063438 /nfs/dbraw/zinc/06/34/38/869063438.db2.gz RKPGUFIPAZRKGI-QWHCGFSZSA-N 1 1 390.440 3.615 20 5 GHBDMO CC[N@H+](Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000442961418 869165036 /nfs/dbraw/zinc/16/50/36/869165036.db2.gz BBMUBHXTWZZXPU-QGZVFWFLSA-N 1 1 385.489 3.765 20 5 GHBDMO CC[N@@H+](Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000442961418 869165041 /nfs/dbraw/zinc/16/50/41/869165041.db2.gz BBMUBHXTWZZXPU-QGZVFWFLSA-N 1 1 385.489 3.765 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000462503020 869565860 /nfs/dbraw/zinc/56/58/60/869565860.db2.gz QJDJWVUXAIGVHI-PXNSSMCTSA-N 1 1 383.492 3.800 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462507250 869573477 /nfs/dbraw/zinc/57/34/77/869573477.db2.gz GHBOKNGHSMQNIV-SFHVURJKSA-N 1 1 384.480 3.737 20 5 GHBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000428436273 869656535 /nfs/dbraw/zinc/65/65/35/869656535.db2.gz FOGGHSAMWMISOI-NRFANRHFSA-N 1 1 386.448 3.529 20 5 GHBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000539827834 869860605 /nfs/dbraw/zinc/86/06/05/869860605.db2.gz HHVWFLODCFVQGT-QJSCKGPTSA-N 1 1 385.851 3.999 20 5 GHBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000539827834 869860617 /nfs/dbraw/zinc/86/06/17/869860617.db2.gz HHVWFLODCFVQGT-QJSCKGPTSA-N 1 1 385.851 3.999 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000539844873 869890246 /nfs/dbraw/zinc/89/02/46/869890246.db2.gz RIIQNFROGDEUBG-UHFFFAOYSA-N 1 1 387.505 3.582 20 5 GHBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000462701251 869927889 /nfs/dbraw/zinc/92/78/89/869927889.db2.gz JUNXQUSICAHMEV-CYBMUJFWSA-N 1 1 385.449 3.590 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000446499872 869936332 /nfs/dbraw/zinc/93/63/32/869936332.db2.gz SDLLZBQCZTZESI-QGZVFWFLSA-N 1 1 376.844 3.981 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000525127846 870030026 /nfs/dbraw/zinc/03/00/26/870030026.db2.gz JBLTZUPVMKWJDK-CALCHBBNSA-N 1 1 399.491 3.963 20 5 GHBDMO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000441071925 870173485 /nfs/dbraw/zinc/17/34/85/870173485.db2.gz VWQJSXISSAIIQY-VGSWGCGISA-N 1 1 376.460 3.870 20 5 GHBDMO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)sc1Br ZINC000446830132 870492973 /nfs/dbraw/zinc/49/29/73/870492973.db2.gz OUQQURJYMDBYDS-UHFFFAOYSA-N 1 1 381.255 3.893 20 5 GHBDMO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000446833531 870512128 /nfs/dbraw/zinc/51/21/28/870512128.db2.gz TVGGSSBKUBDPEV-HNNXBMFYSA-N 1 1 394.518 3.722 20 5 GHBDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000446833531 870512144 /nfs/dbraw/zinc/51/21/44/870512144.db2.gz TVGGSSBKUBDPEV-HNNXBMFYSA-N 1 1 394.518 3.722 20 5 GHBDMO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000446840147 870561408 /nfs/dbraw/zinc/56/14/08/870561408.db2.gz DLNOPSIMGKKPLR-KRWDZBQOSA-N 1 1 394.518 3.722 20 5 GHBDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000446840147 870561617 /nfs/dbraw/zinc/56/16/17/870561617.db2.gz DLNOPSIMGKKPLR-KRWDZBQOSA-N 1 1 394.518 3.722 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000525397786 870611879 /nfs/dbraw/zinc/61/18/79/870611879.db2.gz UANBIJDCLQSZPV-DZGCQCFKSA-N 1 1 388.493 3.663 20 5 GHBDMO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc(F)ccc1[N+](=O)[O-] ZINC000804271194 870662996 /nfs/dbraw/zinc/66/29/96/870662996.db2.gz GYVJAZNBVBDKRM-QGZVFWFLSA-N 1 1 383.379 3.588 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1)CC(C)C ZINC000540237259 870826119 /nfs/dbraw/zinc/82/61/19/870826119.db2.gz VPBJZDGRRMLEAU-UHFFFAOYSA-N 1 1 376.501 3.518 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169010201 871094777 /nfs/dbraw/zinc/09/47/77/871094777.db2.gz ZVCJLVOMNXCDHN-SJORKVTESA-N 1 1 381.517 3.545 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CCCC[N@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169011556 871094848 /nfs/dbraw/zinc/09/48/48/871094848.db2.gz KYAYDTCZINXGSL-IAGOWNOFSA-N 1 1 381.517 3.687 20 5 GHBDMO C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021991 871122906 /nfs/dbraw/zinc/12/29/06/871122906.db2.gz MBBJRYCPHMFYMG-UNNPPQAFSA-N 1 1 377.554 3.726 20 5 GHBDMO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021991 871122911 /nfs/dbraw/zinc/12/29/11/871122911.db2.gz MBBJRYCPHMFYMG-UNNPPQAFSA-N 1 1 377.554 3.726 20 5 GHBDMO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021991 871122919 /nfs/dbraw/zinc/12/29/19/871122919.db2.gz MBBJRYCPHMFYMG-UNNPPQAFSA-N 1 1 377.554 3.726 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000447350006 871457409 /nfs/dbraw/zinc/45/74/09/871457409.db2.gz ZHAVFDWZAMBGIF-UHFFFAOYSA-N 1 1 377.282 3.505 20 5 GHBDMO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000447403453 871541224 /nfs/dbraw/zinc/54/12/24/871541224.db2.gz OVHMEYXNOILAJQ-KRWDZBQOSA-N 1 1 376.460 3.896 20 5 GHBDMO CSc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001169537857 871614259 /nfs/dbraw/zinc/61/42/59/871614259.db2.gz BYPHSTVFUIEOMT-MAUKXSAKSA-N 1 1 399.516 3.957 20 5 GHBDMO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182042949 871749413 /nfs/dbraw/zinc/74/94/13/871749413.db2.gz UTAWMORIHBSMDF-AWEZNQCLSA-N 1 1 390.403 3.681 20 5 GHBDMO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(F)ccc1F ZINC000539359895 871820919 /nfs/dbraw/zinc/82/09/19/871820919.db2.gz KCIMQPJBOLVCSW-ZWKOTPCHSA-N 1 1 375.375 3.719 20 5 GHBDMO CCC[N@H+]1CC[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447673114 872073004 /nfs/dbraw/zinc/07/30/04/872073004.db2.gz WPPWETKDSKHGMQ-JTQLQIEISA-N 1 1 382.333 3.788 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H]2CSC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093761094 872393699 /nfs/dbraw/zinc/39/36/99/872393699.db2.gz ABMYBGUYCCEHAV-LBPRGKRZSA-N 1 1 394.415 3.872 20 5 GHBDMO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252701 872504114 /nfs/dbraw/zinc/50/41/14/872504114.db2.gz NMCURFXRZLTXNE-PKOBYXMFSA-N 1 1 398.438 3.597 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000767426285 872513530 /nfs/dbraw/zinc/51/35/30/872513530.db2.gz OEMXLCFJVYFQQY-OAHLLOKOSA-N 1 1 385.645 3.834 20 5 GHBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC000508632481 882633228 /nfs/dbraw/zinc/63/32/28/882633228.db2.gz VEEOBMLBPNZXQV-ZDUSSCGKSA-N 1 1 388.420 3.637 20 5 GHBDMO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000619569487 872747362 /nfs/dbraw/zinc/74/73/62/872747362.db2.gz SJWBZWGZCLOJGN-OLMNPRSZSA-N 1 1 395.887 3.592 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000619569487 872747370 /nfs/dbraw/zinc/74/73/70/872747370.db2.gz SJWBZWGZCLOJGN-OLMNPRSZSA-N 1 1 395.887 3.592 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000475714446 882649247 /nfs/dbraw/zinc/64/92/47/882649247.db2.gz IGXCUFIZNAFXHC-QAPCUYQASA-N 1 1 384.432 3.525 20 5 GHBDMO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000494621074 882655361 /nfs/dbraw/zinc/65/53/61/882655361.db2.gz PUNMYRBDDDJXEU-GFCCVEGCSA-N 1 1 378.812 3.651 20 5 GHBDMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000541099136 872928073 /nfs/dbraw/zinc/92/80/73/872928073.db2.gz ALJMBABAYKBKDD-YJBOKZPZSA-N 1 1 398.463 3.636 20 5 GHBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000552684267 872995658 /nfs/dbraw/zinc/99/56/58/872995658.db2.gz GCCMSHJSRGACQZ-NRFANRHFSA-N 1 1 399.878 3.986 20 5 GHBDMO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785197 872999368 /nfs/dbraw/zinc/99/93/68/872999368.db2.gz VOIYETWJMLKQJK-HNNXBMFYSA-N 1 1 389.883 3.942 20 5 GHBDMO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785197 872999377 /nfs/dbraw/zinc/99/93/77/872999377.db2.gz VOIYETWJMLKQJK-HNNXBMFYSA-N 1 1 389.883 3.942 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000475715528 882701900 /nfs/dbraw/zinc/70/19/00/882701900.db2.gz DGOJGVVKXIRRIS-LJQANCHMSA-N 1 1 398.459 3.916 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001196899197 873465952 /nfs/dbraw/zinc/46/59/52/873465952.db2.gz NWJYFGPRGGMHMW-WLWJZTKJSA-N 1 1 395.459 3.666 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448603708 873657242 /nfs/dbraw/zinc/65/72/42/873657242.db2.gz ALWGZXFEPAKAGT-OAHLLOKOSA-N 1 1 393.365 3.618 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)n1 ZINC000768940442 873706918 /nfs/dbraw/zinc/70/69/18/873706918.db2.gz JUDKQLWXUZKBGV-AWEZNQCLSA-N 1 1 391.269 3.835 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)n1 ZINC000768940442 873706933 /nfs/dbraw/zinc/70/69/33/873706933.db2.gz JUDKQLWXUZKBGV-AWEZNQCLSA-N 1 1 391.269 3.835 20 5 GHBDMO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000769489077 874071138 /nfs/dbraw/zinc/07/11/38/874071138.db2.gz WAWCZWCYQLBYCL-MQVJKMGUSA-N 1 1 391.468 3.711 20 5 GHBDMO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000769489077 874071153 /nfs/dbraw/zinc/07/11/53/874071153.db2.gz WAWCZWCYQLBYCL-MQVJKMGUSA-N 1 1 391.468 3.711 20 5 GHBDMO COc1cc(C[N@@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000769456500 874082060 /nfs/dbraw/zinc/08/20/60/874082060.db2.gz LNIDYNVSERCKEP-MRXNPFEDSA-N 1 1 386.448 3.651 20 5 GHBDMO COc1cc(C[N@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000769456500 874082078 /nfs/dbraw/zinc/08/20/78/874082078.db2.gz LNIDYNVSERCKEP-MRXNPFEDSA-N 1 1 386.448 3.651 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000475722044 882817801 /nfs/dbraw/zinc/81/78/01/882817801.db2.gz IFGNZVOTVAWSSQ-QAPCUYQASA-N 1 1 384.432 3.525 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)nc1 ZINC000449031837 874371330 /nfs/dbraw/zinc/37/13/30/874371330.db2.gz WOYVAUVNDKYVSI-CYBMUJFWSA-N 1 1 399.451 3.939 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464766657 874458790 /nfs/dbraw/zinc/45/87/90/874458790.db2.gz UWMLVBSYBOYQMW-INIZCTEOSA-N 1 1 385.489 3.956 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464766657 874458793 /nfs/dbraw/zinc/45/87/93/874458793.db2.gz UWMLVBSYBOYQMW-INIZCTEOSA-N 1 1 385.489 3.956 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](CO)C(C)C)cc1 ZINC000491328320 874476132 /nfs/dbraw/zinc/47/61/32/874476132.db2.gz GYWCBJADYNLHNT-HXUWFJFHSA-N 1 1 388.464 3.631 20 5 GHBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000465068182 875025106 /nfs/dbraw/zinc/02/51/06/875025106.db2.gz RIJIPZNUBYCXKB-HNNXBMFYSA-N 1 1 384.436 3.959 20 5 GHBDMO CCNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC001199571771 875050585 /nfs/dbraw/zinc/05/05/85/875050585.db2.gz VFIONOILAAJHFR-UHFFFAOYSA-N 1 1 379.416 3.894 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000542201048 875134033 /nfs/dbraw/zinc/13/40/33/875134033.db2.gz NHPLHDUKBNGURG-UHFFFAOYSA-N 1 1 388.493 3.995 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000542201048 875134048 /nfs/dbraw/zinc/13/40/48/875134048.db2.gz NHPLHDUKBNGURG-UHFFFAOYSA-N 1 1 388.493 3.995 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465185914 875267076 /nfs/dbraw/zinc/26/70/76/875267076.db2.gz NWQLFBLGPXECEG-HNNXBMFYSA-N 1 1 383.448 3.876 20 5 GHBDMO O=C([C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000771466415 875297765 /nfs/dbraw/zinc/29/77/65/875297765.db2.gz DIFAXFHSNILTTK-KRWDZBQOSA-N 1 1 391.899 3.863 20 5 GHBDMO Cc1cccc([C@@H]2CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)c1 ZINC000542318482 875361239 /nfs/dbraw/zinc/36/12/39/875361239.db2.gz ZSYPIVSCBWCYKO-QGZVFWFLSA-N 1 1 381.432 3.691 20 5 GHBDMO O=C1CC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@@H]2N1C1CC1 ZINC000549915252 875894222 /nfs/dbraw/zinc/89/42/22/875894222.db2.gz CPHPUNLOLYHXSQ-PXAZEXFGSA-N 1 1 397.397 3.589 20 5 GHBDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@@H]2N1C1CC1 ZINC000549915252 875894227 /nfs/dbraw/zinc/89/42/27/875894227.db2.gz CPHPUNLOLYHXSQ-PXAZEXFGSA-N 1 1 397.397 3.589 20 5 GHBDMO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786129892 876496878 /nfs/dbraw/zinc/49/68/78/876496878.db2.gz VTLYTDZVMWBPQI-JXFKEZNVSA-N 1 1 385.464 3.676 20 5 GHBDMO CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786129892 876496881 /nfs/dbraw/zinc/49/68/81/876496881.db2.gz VTLYTDZVMWBPQI-JXFKEZNVSA-N 1 1 385.464 3.676 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000492400660 876742122 /nfs/dbraw/zinc/74/21/22/876742122.db2.gz NDCGMGXHPWWQQD-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO CNc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000609995872 877266856 /nfs/dbraw/zinc/26/68/56/877266856.db2.gz OEZXUARMWLSYQU-LPHOPBHVSA-N 1 1 396.491 3.762 20 5 GHBDMO CCNc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000610122078 877434853 /nfs/dbraw/zinc/43/48/53/877434853.db2.gz PZYQDRZUTVHTBH-QGZVFWFLSA-N 1 1 396.491 3.763 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)ccc1[N+](=O)[O-] ZINC000492730414 877437200 /nfs/dbraw/zinc/43/72/00/877437200.db2.gz UTYYMOBCJGMRKQ-AWEZNQCLSA-N 1 1 397.353 3.671 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)ccc1[N+](=O)[O-] ZINC000492730414 877437208 /nfs/dbraw/zinc/43/72/08/877437208.db2.gz UTYYMOBCJGMRKQ-AWEZNQCLSA-N 1 1 397.353 3.671 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000179439633 877566740 /nfs/dbraw/zinc/56/67/40/877566740.db2.gz JCNOAZRWQNTHPG-UHFFFAOYSA-N 1 1 396.491 3.914 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1C(F)(F)F ZINC000285349041 912255389 /nfs/dbraw/zinc/25/53/89/912255389.db2.gz PLJOGFHEYZRNSX-UHFFFAOYSA-N 1 1 381.354 3.727 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1C(F)(F)F ZINC000285349041 912255409 /nfs/dbraw/zinc/25/54/09/912255409.db2.gz PLJOGFHEYZRNSX-UHFFFAOYSA-N 1 1 381.354 3.727 20 5 GHBDMO Nc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000787893852 877722288 /nfs/dbraw/zinc/72/22/88/877722288.db2.gz CBFFRCJWMUASCS-UHFFFAOYSA-N 1 1 394.397 3.908 20 5 GHBDMO CN(C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000851743151 877891652 /nfs/dbraw/zinc/89/16/52/877891652.db2.gz QJMSSVGZROPXLU-AWEZNQCLSA-N 1 1 381.448 3.813 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000851743151 877891659 /nfs/dbraw/zinc/89/16/59/877891659.db2.gz QJMSSVGZROPXLU-AWEZNQCLSA-N 1 1 381.448 3.813 20 5 GHBDMO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000851980202 878013674 /nfs/dbraw/zinc/01/36/74/878013674.db2.gz QMQWHTRBDBBJII-NRFANRHFSA-N 1 1 398.438 3.686 20 5 GHBDMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000851980202 878013696 /nfs/dbraw/zinc/01/36/96/878013696.db2.gz QMQWHTRBDBBJII-NRFANRHFSA-N 1 1 398.438 3.686 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000776575081 878160054 /nfs/dbraw/zinc/16/00/54/878160054.db2.gz NTCKEGDPGZXPSD-IBGZPJMESA-N 1 1 384.432 3.802 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000853120661 878829123 /nfs/dbraw/zinc/82/91/23/878829123.db2.gz NWOZGNHTPQVNOT-UNMCSNQZSA-N 1 1 395.503 3.520 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000853120661 878829141 /nfs/dbraw/zinc/82/91/41/878829141.db2.gz NWOZGNHTPQVNOT-UNMCSNQZSA-N 1 1 395.503 3.520 20 5 GHBDMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)c1 ZINC000853496567 879063112 /nfs/dbraw/zinc/06/31/12/879063112.db2.gz IXTZBPYZRHEAEH-IBGZPJMESA-N 1 1 392.463 3.714 20 5 GHBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)c1 ZINC000853496567 879063130 /nfs/dbraw/zinc/06/31/30/879063130.db2.gz IXTZBPYZRHEAEH-IBGZPJMESA-N 1 1 392.463 3.714 20 5 GHBDMO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853511243 879073351 /nfs/dbraw/zinc/07/33/51/879073351.db2.gz NTRIVZIKCFJFAO-HXUWFJFHSA-N 1 1 381.411 3.614 20 5 GHBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853511243 879073356 /nfs/dbraw/zinc/07/33/56/879073356.db2.gz NTRIVZIKCFJFAO-HXUWFJFHSA-N 1 1 381.411 3.614 20 5 GHBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)C1 ZINC000068975639 879333722 /nfs/dbraw/zinc/33/37/22/879333722.db2.gz DFCFIIGPTVEQMZ-HNNXBMFYSA-N 1 1 385.439 3.896 20 5 GHBDMO O=C1[C@@H]([N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCN1Cc1ccccc1 ZINC000790299507 879604375 /nfs/dbraw/zinc/60/43/75/879604375.db2.gz CVSLCMSVZCPSTL-NRFANRHFSA-N 1 1 379.460 3.750 20 5 GHBDMO O=C1[C@@H]([N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCN1Cc1ccccc1 ZINC000790299507 879604384 /nfs/dbraw/zinc/60/43/84/879604384.db2.gz CVSLCMSVZCPSTL-NRFANRHFSA-N 1 1 379.460 3.750 20 5 GHBDMO O=C(C[N@H+](Cc1cccc(O)c1)CC1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000772758426 879833910 /nfs/dbraw/zinc/83/39/10/879833910.db2.gz ULOSUFCVYOVKPX-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO O=C(C[N@@H+](Cc1cccc(O)c1)CC1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000772758426 879833928 /nfs/dbraw/zinc/83/39/28/879833928.db2.gz ULOSUFCVYOVKPX-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO C[C@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000494060063 879866847 /nfs/dbraw/zinc/86/68/47/879866847.db2.gz KVGDRXZZWCQSDU-KXBFYZLASA-N 1 1 394.475 3.562 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1F ZINC000790812082 879985389 /nfs/dbraw/zinc/98/53/89/879985389.db2.gz CYHZHXXFXATWDV-KRWDZBQOSA-N 1 1 385.439 3.779 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)o2)cc1 ZINC000181187988 880044672 /nfs/dbraw/zinc/04/46/72/880044672.db2.gz TWJKFPXZQYGVBS-KXBFYZLASA-N 1 1 394.431 3.902 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CC[C@](O)(c4ccc(F)cc4)C3)c2c1 ZINC000776765932 880163515 /nfs/dbraw/zinc/16/35/15/880163515.db2.gz FGKLWEGNSIFHFU-GOSISDBHSA-N 1 1 389.408 3.562 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@](O)(c4ccc(F)cc4)C3)c2c1 ZINC000776765932 880163519 /nfs/dbraw/zinc/16/35/19/880163519.db2.gz FGKLWEGNSIFHFU-GOSISDBHSA-N 1 1 389.408 3.562 20 5 GHBDMO CC(C)[N@@H+](CCc1nccs1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774638203 912564083 /nfs/dbraw/zinc/56/40/83/912564083.db2.gz FASQJFPMTGSZAK-UHFFFAOYSA-N 1 1 379.873 3.965 20 5 GHBDMO CCOC(=O)CCC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774640482 912592185 /nfs/dbraw/zinc/59/21/85/912592185.db2.gz SVLORJGSOCDQPX-UHFFFAOYSA-N 1 1 394.859 3.611 20 5 GHBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(C)cc1Br ZINC000453311736 880778000 /nfs/dbraw/zinc/77/80/00/880778000.db2.gz SUKWDVVLDQJYGI-LLVKDONJSA-N 1 1 399.314 3.751 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801540349 921112620 /nfs/dbraw/zinc/11/26/20/921112620.db2.gz YWLALBSBEGKNDS-CABCVRRESA-N 1 1 379.432 3.708 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801540349 921112624 /nfs/dbraw/zinc/11/26/24/921112624.db2.gz YWLALBSBEGKNDS-CABCVRRESA-N 1 1 379.432 3.708 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453429105 880934028 /nfs/dbraw/zinc/93/40/28/880934028.db2.gz PKWFXAVNPXSBOH-SUMDDJOVSA-N 1 1 398.488 3.989 20 5 GHBDMO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001183568897 912638002 /nfs/dbraw/zinc/63/80/02/912638002.db2.gz LSSRDSGBRDYBBD-QGZVFWFLSA-N 1 1 397.482 3.826 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1Br)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000792457057 881109439 /nfs/dbraw/zinc/10/94/39/881109439.db2.gz FBLLRCSZFIQXMW-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1ccc(F)cc1Br)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000792457057 881109440 /nfs/dbraw/zinc/10/94/40/881109440.db2.gz FBLLRCSZFIQXMW-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)C/C(C)=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000494234852 881315795 /nfs/dbraw/zinc/31/57/95/881315795.db2.gz RUXLOCOHHIKPLM-DTQAZKPQSA-N 1 1 383.448 3.967 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1)[NH+]1CCOCC1 ZINC000609518546 883293148 /nfs/dbraw/zinc/29/31/48/883293148.db2.gz FJKPKBWOPNZMOD-CQSZACIVSA-N 1 1 395.415 3.987 20 5 GHBDMO COc1cccc(C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000064400150 883294738 /nfs/dbraw/zinc/29/47/38/883294738.db2.gz JIGCLFMNQIGGRS-NRFANRHFSA-N 1 1 386.448 3.663 20 5 GHBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000609530799 883320216 /nfs/dbraw/zinc/32/02/16/883320216.db2.gz GDNRTOJKWRSGBG-LJQANCHMSA-N 1 1 396.491 3.811 20 5 GHBDMO O=c1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000286408149 912733579 /nfs/dbraw/zinc/73/35/79/912733579.db2.gz HTCNQNVOPCJNKS-DOTOQJQBSA-N 1 1 391.389 3.939 20 5 GHBDMO Cc1sc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1[N+](=O)[O-] ZINC000598396584 883741274 /nfs/dbraw/zinc/74/12/74/883741274.db2.gz OJBSEUOWFAXZOR-QGZVFWFLSA-N 1 1 399.516 3.997 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859801520 884076402 /nfs/dbraw/zinc/07/64/02/884076402.db2.gz SGHYZIUZRRTOPI-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccccc1Cl ZINC000026224932 884188058 /nfs/dbraw/zinc/18/80/58/884188058.db2.gz GIIWCKLQPFYIGB-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1c(F)cccc1Cl ZINC000026225486 884202696 /nfs/dbraw/zinc/20/26/96/884202696.db2.gz RHEHLRRKJRKWSL-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000026225486 884202710 /nfs/dbraw/zinc/20/27/10/884202710.db2.gz RHEHLRRKJRKWSL-UHFFFAOYSA-N 1 1 395.818 3.857 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000494966174 884300517 /nfs/dbraw/zinc/30/05/17/884300517.db2.gz LXWSZZCTZIWOOZ-MRXNPFEDSA-N 1 1 377.510 3.652 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000806253045 884540704 /nfs/dbraw/zinc/54/07/04/884540704.db2.gz NNPNMQQOAAEGQG-UHFFFAOYSA-N 1 1 380.832 3.827 20 5 GHBDMO COc1cccc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000194882148 885302084 /nfs/dbraw/zinc/30/20/84/885302084.db2.gz HVOUQPITZLFOPX-OAHLLOKOSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1 ZINC000498728733 885534316 /nfs/dbraw/zinc/53/43/16/885534316.db2.gz LWTUMFCMPDGIRZ-OAHLLOKOSA-N 1 1 399.447 3.562 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495369185 885539829 /nfs/dbraw/zinc/53/98/29/885539829.db2.gz OQIRTXGNPQBQKP-GFCCVEGCSA-N 1 1 397.353 3.952 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495369185 885539841 /nfs/dbraw/zinc/53/98/41/885539841.db2.gz OQIRTXGNPQBQKP-GFCCVEGCSA-N 1 1 397.353 3.952 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000532486974 885818904 /nfs/dbraw/zinc/81/89/04/885818904.db2.gz RIVIBZKLBQNGGY-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000532486974 885818921 /nfs/dbraw/zinc/81/89/21/885818921.db2.gz RIVIBZKLBQNGGY-OXJNMPFZSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccc(N2CCC(c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)CC2)[nH+]c1 ZINC000762320873 886028330 /nfs/dbraw/zinc/02/83/30/886028330.db2.gz PCKHHTJRWGBZEF-UHFFFAOYSA-N 1 1 393.447 3.964 20 5 GHBDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1 ZINC000915308968 886300684 /nfs/dbraw/zinc/30/06/84/886300684.db2.gz DPRUAFSGQKDTGQ-UHFFFAOYSA-N 1 1 388.855 3.906 20 5 GHBDMO Cc1nn(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000863301563 887014492 /nfs/dbraw/zinc/01/44/92/887014492.db2.gz FPHCVQVPOTXOFR-BBRMVZONSA-N 1 1 388.468 3.510 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000863301563 887014505 /nfs/dbraw/zinc/01/45/05/887014505.db2.gz FPHCVQVPOTXOFR-BBRMVZONSA-N 1 1 388.468 3.510 20 5 GHBDMO COc1ccc(CCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272524621 887631334 /nfs/dbraw/zinc/63/13/34/887631334.db2.gz LWJJJRQGCIVHFX-HXUWFJFHSA-N 1 1 380.448 3.649 20 5 GHBDMO COc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000194026574 887966016 /nfs/dbraw/zinc/96/60/16/887966016.db2.gz XFYMYEAYIDSOJU-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc(N2CCCC2)[nH+]1 ZINC000810177843 888261820 /nfs/dbraw/zinc/26/18/20/888261820.db2.gz XYZXFEAUPZEAJA-UHFFFAOYSA-N 1 1 389.843 3.874 20 5 GHBDMO C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153788854 888577050 /nfs/dbraw/zinc/57/70/50/888577050.db2.gz JPUWDJXWQCSOFG-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO C[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153788854 888577067 /nfs/dbraw/zinc/57/70/67/888577067.db2.gz JPUWDJXWQCSOFG-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000794899936 888748865 /nfs/dbraw/zinc/74/88/65/888748865.db2.gz JWJMEBNESUPLIP-FQEVSTJZSA-N 1 1 381.411 3.614 20 5 GHBDMO CCc1cc2c(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cc(=O)oc2cc1O ZINC000796110644 913286442 /nfs/dbraw/zinc/28/64/42/913286442.db2.gz AVMAHALSUYWNNL-UHFFFAOYSA-N 1 1 382.416 3.644 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000810865238 888968856 /nfs/dbraw/zinc/96/88/56/888968856.db2.gz UYHITUSZPNCCCK-PTNGSMBKSA-N 1 1 380.448 3.618 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000532924625 889289986 /nfs/dbraw/zinc/28/99/86/889289986.db2.gz BIAPCCOPVAFOJO-GOSISDBHSA-N 1 1 397.475 3.948 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](Cc2ccccc2C)C2CC2)c([N+](=O)[O-])c1 ZINC000532926279 889295892 /nfs/dbraw/zinc/29/58/92/889295892.db2.gz DJILTAMRDKYOBG-UHFFFAOYSA-N 1 1 383.448 3.905 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccccc2C)C2CC2)c([N+](=O)[O-])c1 ZINC000532926279 889295906 /nfs/dbraw/zinc/29/59/06/889295906.db2.gz DJILTAMRDKYOBG-UHFFFAOYSA-N 1 1 383.448 3.905 20 5 GHBDMO CCc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000532918784 889326267 /nfs/dbraw/zinc/32/62/67/889326267.db2.gz YVGMNBUVILLOMN-UHFFFAOYSA-N 1 1 383.448 3.769 20 5 GHBDMO CCc1ccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000532918784 889326278 /nfs/dbraw/zinc/32/62/78/889326278.db2.gz YVGMNBUVILLOMN-UHFFFAOYSA-N 1 1 383.448 3.769 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000532935116 889378493 /nfs/dbraw/zinc/37/84/93/889378493.db2.gz PXICADNGJREEHW-IBGZPJMESA-N 1 1 383.448 3.941 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000532935118 889378636 /nfs/dbraw/zinc/37/86/36/889378636.db2.gz PXICADNGJREEHW-LJQANCHMSA-N 1 1 383.448 3.941 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@@H](O)c3ccccc3C)CC2)c1 ZINC000811506511 889699695 /nfs/dbraw/zinc/69/96/95/889699695.db2.gz WDURBMDGZNTMSG-OAQYLSRUSA-N 1 1 398.459 3.635 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)c1F ZINC000888576410 890855455 /nfs/dbraw/zinc/85/54/55/890855455.db2.gz WMLLZZQHINRBSJ-UHFFFAOYSA-N 1 1 376.363 3.819 20 5 GHBDMO COc1ccc([C@@H](O)C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)cc1 ZINC000812856247 891006672 /nfs/dbraw/zinc/00/66/72/891006672.db2.gz YFCDTGUVOKMHOY-OAQYLSRUSA-N 1 1 386.448 3.558 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000872261588 891220609 /nfs/dbraw/zinc/22/06/09/891220609.db2.gz HZXGPXLZSWUFTC-FQEVSTJZSA-N 1 1 384.480 3.919 20 5 GHBDMO COC(=O)c1ccc(C)c(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350420 891232737 /nfs/dbraw/zinc/23/27/37/891232737.db2.gz ZOKRWMDDCIRQTQ-UHFFFAOYSA-N 1 1 399.447 3.539 20 5 GHBDMO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350420 891232754 /nfs/dbraw/zinc/23/27/54/891232754.db2.gz ZOKRWMDDCIRQTQ-UHFFFAOYSA-N 1 1 399.447 3.539 20 5 GHBDMO CCSc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000813174390 891335574 /nfs/dbraw/zinc/33/55/74/891335574.db2.gz QUZRCRXYRVOCHA-KRWDZBQOSA-N 1 1 387.461 3.533 20 5 GHBDMO CCSc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000813174390 891335585 /nfs/dbraw/zinc/33/55/85/891335585.db2.gz QUZRCRXYRVOCHA-KRWDZBQOSA-N 1 1 387.461 3.533 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000497380700 891398177 /nfs/dbraw/zinc/39/81/77/891398177.db2.gz CCGRFFZIEJRUAG-INIZCTEOSA-N 1 1 391.512 3.756 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000497380700 891398191 /nfs/dbraw/zinc/39/81/91/891398191.db2.gz CCGRFFZIEJRUAG-INIZCTEOSA-N 1 1 391.512 3.756 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000813300579 891490688 /nfs/dbraw/zinc/49/06/88/891490688.db2.gz ZOMVFTYWPZFWSO-QGZVFWFLSA-N 1 1 385.439 3.766 20 5 GHBDMO COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)cc1[N+](=O)[O-] ZINC000873169949 891495856 /nfs/dbraw/zinc/49/58/56/891495856.db2.gz QMMCUAZUTACTFK-UHFFFAOYSA-N 1 1 375.734 3.960 20 5 GHBDMO Cc1c([C@@H](C)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000191839739 891563686 /nfs/dbraw/zinc/56/36/86/891563686.db2.gz KZNCRYHZHSLIFY-QUCCMNQESA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1c([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000191839739 891563692 /nfs/dbraw/zinc/56/36/92/891563692.db2.gz KZNCRYHZHSLIFY-QUCCMNQESA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000615038879 891836448 /nfs/dbraw/zinc/83/64/48/891836448.db2.gz QDNJWOUYXYVAAY-SFHVURJKSA-N 1 1 382.464 3.937 20 5 GHBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000497569102 891911822 /nfs/dbraw/zinc/91/18/22/891911822.db2.gz DDBDNKFDISQSTM-OAHLLOKOSA-N 1 1 384.436 3.945 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000026345607 891940520 /nfs/dbraw/zinc/94/05/20/891940520.db2.gz FGFVIRAUNAKOTK-SFHVURJKSA-N 1 1 387.411 3.908 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000026345604 891940693 /nfs/dbraw/zinc/94/06/93/891940693.db2.gz FGFVIRAUNAKOTK-GOSISDBHSA-N 1 1 387.411 3.908 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)c1 ZINC000154442535 892185941 /nfs/dbraw/zinc/18/59/41/892185941.db2.gz CAYHKMPFIHHSQW-RTWAWAEBSA-N 1 1 398.484 3.926 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000814175765 892330644 /nfs/dbraw/zinc/33/06/44/892330644.db2.gz JSJUXAQOVBCLGL-AEFFLSMTSA-N 1 1 375.469 3.735 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)cc1 ZINC000814225762 892417370 /nfs/dbraw/zinc/41/73/70/892417370.db2.gz WPAADPOYDUYPEY-IBGZPJMESA-N 1 1 377.448 3.863 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000497822404 892506356 /nfs/dbraw/zinc/50/63/56/892506356.db2.gz RSDMPVLUOMMZHE-IACUBPJLSA-N 1 1 387.402 3.681 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000825831354 892886063 /nfs/dbraw/zinc/88/60/63/892886063.db2.gz WNGWWPUUZGBISP-CABCVRRESA-N 1 1 379.888 3.975 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000533783887 892948383 /nfs/dbraw/zinc/94/83/83/892948383.db2.gz MSGAGWLYXPXGCN-SFHVURJKSA-N 1 1 395.381 3.663 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000508777820 893315871 /nfs/dbraw/zinc/31/58/71/893315871.db2.gz JVGUMVXEUHWLAB-GOSISDBHSA-N 1 1 393.365 3.988 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000815112238 893443521 /nfs/dbraw/zinc/44/35/21/893443521.db2.gz ZNULCCNZVNEIGF-IRXDYDNUSA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000815112238 893443530 /nfs/dbraw/zinc/44/35/30/893443530.db2.gz ZNULCCNZVNEIGF-IRXDYDNUSA-N 1 1 392.253 3.623 20 5 GHBDMO CC(=O)N(C)c1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cc1 ZINC000877653770 893744903 /nfs/dbraw/zinc/74/49/03/893744903.db2.gz DSWXBAJSWFJNNA-UHFFFAOYSA-N 1 1 398.282 3.691 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000877937469 893903815 /nfs/dbraw/zinc/90/38/15/893903815.db2.gz MTSOCZGJPRSPBZ-KRWDZBQOSA-N 1 1 380.404 3.991 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000877937469 893903824 /nfs/dbraw/zinc/90/38/24/893903824.db2.gz MTSOCZGJPRSPBZ-KRWDZBQOSA-N 1 1 380.404 3.991 20 5 GHBDMO Cc1ccc(C)n1C1CC[NH+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878034188 893967333 /nfs/dbraw/zinc/96/73/33/893967333.db2.gz AOTKTQXMOJJUBI-UHFFFAOYSA-N 1 1 381.436 3.900 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459668032 894029551 /nfs/dbraw/zinc/02/95/51/894029551.db2.gz SZRKQVROWWWVOR-INIZCTEOSA-N 1 1 388.386 3.655 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001185404002 913837999 /nfs/dbraw/zinc/83/79/99/913837999.db2.gz NDDHVADYNKKOQN-IAGOWNOFSA-N 1 1 389.496 3.781 20 5 GHBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000459775878 894177179 /nfs/dbraw/zinc/17/71/79/894177179.db2.gz XYELXGKNUVXKBK-AWEZNQCLSA-N 1 1 387.411 3.595 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)o1 ZINC000878301149 894179052 /nfs/dbraw/zinc/17/90/52/894179052.db2.gz KYQKXVNURJLJQT-CYBMUJFWSA-N 1 1 392.843 3.547 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cccc1[N+](=O)[O-] ZINC000537037674 894245869 /nfs/dbraw/zinc/24/58/69/894245869.db2.gz UPXSBRORPABRHU-MRXNPFEDSA-N 1 1 396.491 3.979 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CO)CC2)cc1OC ZINC000563901489 894308393 /nfs/dbraw/zinc/30/83/93/894308393.db2.gz FQCKCZQZXZLJAZ-CVEARBPZSA-N 1 1 380.485 3.623 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)o1 ZINC000878643960 894480099 /nfs/dbraw/zinc/48/00/99/894480099.db2.gz QGLVPHJJYWFPNM-ZDUSSCGKSA-N 1 1 392.843 3.547 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)o1 ZINC000878643960 894480107 /nfs/dbraw/zinc/48/01/07/894480107.db2.gz QGLVPHJJYWFPNM-ZDUSSCGKSA-N 1 1 392.843 3.547 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000564120252 894620288 /nfs/dbraw/zinc/62/02/88/894620288.db2.gz LGDXURAUDIKVAA-HZPDHXFCSA-N 1 1 387.505 3.712 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000537302465 894735873 /nfs/dbraw/zinc/73/58/73/894735873.db2.gz YCUHUJUZKLVKGC-SFHVURJKSA-N 1 1 389.496 3.585 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000817286239 895437566 /nfs/dbraw/zinc/43/75/66/895437566.db2.gz DXVXIRGWUMKMGU-UHFFFAOYSA-N 1 1 379.432 3.709 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000565444620 895630585 /nfs/dbraw/zinc/63/05/85/895630585.db2.gz LBESVWDUGQEBIP-SJLPKXTDSA-N 1 1 382.464 3.996 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000566011180 896047512 /nfs/dbraw/zinc/04/75/12/896047512.db2.gz MBCCGXMZIATMCW-WMLDXEAASA-N 1 1 387.867 3.889 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000819323612 896567677 /nfs/dbraw/zinc/56/76/77/896567677.db2.gz NMSCPUDHDKTVLB-SIKLNZKXSA-N 1 1 383.492 3.520 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819323612 896567685 /nfs/dbraw/zinc/56/76/85/896567685.db2.gz NMSCPUDHDKTVLB-SIKLNZKXSA-N 1 1 383.492 3.520 20 5 GHBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000129475266 896676234 /nfs/dbraw/zinc/67/62/34/896676234.db2.gz LVENKDYGQROTNX-UHFFFAOYSA-N 1 1 397.406 3.889 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000129475266 896676240 /nfs/dbraw/zinc/67/62/40/896676240.db2.gz LVENKDYGQROTNX-UHFFFAOYSA-N 1 1 397.406 3.889 20 5 GHBDMO COc1ccc(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)cc1[N+](=O)[O-] ZINC000796282515 914123923 /nfs/dbraw/zinc/12/39/23/914123923.db2.gz NRKXVEYIRZXUEB-UHFFFAOYSA-N 1 1 381.219 3.848 20 5 GHBDMO CC(C)[C@@H](C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCCCC1 ZINC000778644849 897844771 /nfs/dbraw/zinc/84/47/71/897844771.db2.gz CLDAHYBWFJJEMO-SFHVURJKSA-N 1 1 387.436 3.804 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570053325 899094103 /nfs/dbraw/zinc/09/41/03/899094103.db2.gz FCRRPDOAIPLUHR-LLVKDONJSA-N 1 1 397.216 3.787 20 5 GHBDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570053325 899094115 /nfs/dbraw/zinc/09/41/15/899094115.db2.gz FCRRPDOAIPLUHR-LLVKDONJSA-N 1 1 397.216 3.787 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000823994776 899345417 /nfs/dbraw/zinc/34/54/17/899345417.db2.gz YDIJINKFVFUQBK-MAUKXSAKSA-N 1 1 397.479 3.694 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000571121875 899749051 /nfs/dbraw/zinc/74/90/51/899749051.db2.gz UZDPWZRPGWMVRE-UHFFFAOYSA-N 1 1 396.274 3.943 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)nc2c1 ZINC000134807293 900124630 /nfs/dbraw/zinc/12/46/30/900124630.db2.gz JOBOSUZEOBKGIW-MAUKXSAKSA-N 1 1 385.395 3.963 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000575166357 901149314 /nfs/dbraw/zinc/14/93/14/901149314.db2.gz FRGYWELMTYTHAY-ICSRJNTNSA-N 1 1 381.476 3.557 20 5 GHBDMO C[C@]1(c2cccc(F)c2)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000844715854 901195286 /nfs/dbraw/zinc/19/52/86/901195286.db2.gz BGKGQBCXWLMHOX-FQEVSTJZSA-N 1 1 381.411 3.614 20 5 GHBDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000844715854 901195298 /nfs/dbraw/zinc/19/52/98/901195298.db2.gz BGKGQBCXWLMHOX-FQEVSTJZSA-N 1 1 381.411 3.614 20 5 GHBDMO COc1ccc(C[C@H]2CCCC[N@H+]2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1 ZINC000844738882 901217223 /nfs/dbraw/zinc/21/72/23/901217223.db2.gz RNNSTIOABNMMHK-QGZVFWFLSA-N 1 1 395.463 3.711 20 5 GHBDMO Cc1ccnc([C@@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000576595558 902116871 /nfs/dbraw/zinc/11/68/71/902116871.db2.gz NJUHIPBJRIGNDD-GDBMZVCRSA-N 1 1 379.420 3.899 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000845733421 902354263 /nfs/dbraw/zinc/35/42/63/902354263.db2.gz APTQMCJRUUFPGK-AWEZNQCLSA-N 1 1 375.450 3.748 20 5 GHBDMO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000801549288 921121039 /nfs/dbraw/zinc/12/10/39/921121039.db2.gz JBXADZVFVDUHKU-NRFANRHFSA-N 1 1 398.438 3.686 20 5 GHBDMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000801549288 921121044 /nfs/dbraw/zinc/12/10/44/921121044.db2.gz JBXADZVFVDUHKU-NRFANRHFSA-N 1 1 398.438 3.686 20 5 GHBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001144839884 903013435 /nfs/dbraw/zinc/01/34/35/903013435.db2.gz ZPMBEIAJTVGJOP-UHFFFAOYSA-N 1 1 380.247 3.748 20 5 GHBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000601203128 903455865 /nfs/dbraw/zinc/45/58/65/903455865.db2.gz COZNBHOPQAXROX-KBPBESRZSA-N 1 1 387.411 3.595 20 5 GHBDMO CCOc1cc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000578712230 904071098 /nfs/dbraw/zinc/07/10/98/904071098.db2.gz CFGQECBRTPTOOW-MRXNPFEDSA-N 1 1 376.375 3.519 20 5 GHBDMO C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+]1CCCC[C@@H]1C ZINC000578951298 904248479 /nfs/dbraw/zinc/24/84/79/904248479.db2.gz NQLFXINWEATTAB-HOTGVXAUSA-N 1 1 377.488 3.674 20 5 GHBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000579052336 904317635 /nfs/dbraw/zinc/31/76/35/904317635.db2.gz FCTZMYAFDJTTKP-QGZVFWFLSA-N 1 1 392.427 3.744 20 5 GHBDMO Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(N2CCCC2)[nH+]1 ZINC000579290885 904484628 /nfs/dbraw/zinc/48/46/28/904484628.db2.gz PQAUCLXVBLXZLW-UHFFFAOYSA-N 1 1 389.843 3.874 20 5 GHBDMO CC[C@@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(C)cs1 ZINC000173941824 905168252 /nfs/dbraw/zinc/16/82/52/905168252.db2.gz BFCFULSEVLTARW-MRXNPFEDSA-N 1 1 382.873 3.867 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801555258 921128253 /nfs/dbraw/zinc/12/82/53/921128253.db2.gz IPZBWSKDDZUMIO-AWEZNQCLSA-N 1 1 381.448 3.861 20 5 GHBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000174223726 905227161 /nfs/dbraw/zinc/22/71/61/905227161.db2.gz CMVJPEWHDDYIFG-QILLFSRXSA-N 1 1 385.468 3.653 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000365805664 921176324 /nfs/dbraw/zinc/17/63/24/921176324.db2.gz MMFLSXBBRCQMDA-UHFFFAOYSA-N 1 1 399.329 3.625 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001172900673 905921867 /nfs/dbraw/zinc/92/18/67/905921867.db2.gz XTPNPUDRMZNOBM-UGKGYDQZSA-N 1 1 379.504 3.954 20 5 GHBDMO O=C1Nc2ccccc2[C@H]2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]12 ZINC001172903895 905926699 /nfs/dbraw/zinc/92/66/99/905926699.db2.gz JJNDDNWWMBHSSQ-AHRSYUTCSA-N 1 1 377.444 3.510 20 5 GHBDMO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172908996 905944030 /nfs/dbraw/zinc/94/40/30/905944030.db2.gz QHKJDJXPCQCSPW-UCNVEGJOSA-N 1 1 388.508 3.750 20 5 GHBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2ccccc21 ZINC001172920998 905990224 /nfs/dbraw/zinc/99/02/24/905990224.db2.gz NOFSLJHOEPQTGA-WIYYLYMNSA-N 1 1 380.444 3.615 20 5 GHBDMO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909514 906017398 /nfs/dbraw/zinc/01/73/98/906017398.db2.gz SGGJHZOJZHNNOW-FUHWJXTLSA-N 1 1 376.453 3.868 20 5 GHBDMO O=C([C@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)N1CCCCC1 ZINC001172910786 906018009 /nfs/dbraw/zinc/01/80/09/906018009.db2.gz ODBRKYNBODEWGC-VQTJNVASSA-N 1 1 385.508 3.567 20 5 GHBDMO CO[C@@H]1CCC[C@@H]2C[N@H+](C3CCN(c4c(F)cc([N+](=O)[O-])cc4F)CC3)C[C@@H]21 ZINC001173013518 906090322 /nfs/dbraw/zinc/09/03/22/906090322.db2.gz SCYJUFOXFPDAAD-ACWOFJMJSA-N 1 1 395.450 3.589 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCC[C@@H](C(F)F)C3)CC2)c(F)c1 ZINC001173018261 906095478 /nfs/dbraw/zinc/09/54/78/906095478.db2.gz QQGHMAVTTAFNQJ-LLVKDONJSA-N 1 1 375.366 3.819 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1F ZINC001173183246 906264412 /nfs/dbraw/zinc/26/44/12/906264412.db2.gz XCSZTQUIPQVCMU-HUUCEWRRSA-N 1 1 379.476 3.670 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1F ZINC001173183246 906264429 /nfs/dbraw/zinc/26/44/29/906264429.db2.gz XCSZTQUIPQVCMU-HUUCEWRRSA-N 1 1 379.476 3.670 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)CC[N@@H+](C)Cc2ccccc2)c1F ZINC001173191372 906273638 /nfs/dbraw/zinc/27/36/38/906273638.db2.gz CUNANNSCTIBHRH-INIZCTEOSA-N 1 1 389.471 3.737 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CCN(C)Cc2ccccc2)c1F ZINC001173191372 906273650 /nfs/dbraw/zinc/27/36/50/906273650.db2.gz CUNANNSCTIBHRH-INIZCTEOSA-N 1 1 389.471 3.737 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CCN(C)Cc2ccccc2)c1F ZINC001173191372 906273658 /nfs/dbraw/zinc/27/36/58/906273658.db2.gz CUNANNSCTIBHRH-INIZCTEOSA-N 1 1 389.471 3.737 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001173220765 906297252 /nfs/dbraw/zinc/29/72/52/906297252.db2.gz CFSGBYMTAXMOBA-FOIQADDNSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001173220847 906298036 /nfs/dbraw/zinc/29/80/36/906298036.db2.gz DAQCICMIRNQVCO-CVEARBPZSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001173227617 906310614 /nfs/dbraw/zinc/31/06/14/906310614.db2.gz RKVPHQQAORWPKZ-NVXWUHKLSA-N 1 1 377.485 3.763 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001173227689 906310849 /nfs/dbraw/zinc/31/08/49/906310849.db2.gz UVVSSSXIUWFVAD-YWZLYKJASA-N 1 1 385.489 3.716 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173231273 906316321 /nfs/dbraw/zinc/31/63/21/906316321.db2.gz ANKPGIBIPVHAPH-NVXWUHKLSA-N 1 1 377.485 3.715 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001173237148 906348299 /nfs/dbraw/zinc/34/82/99/906348299.db2.gz IKZKDVDBDUBZAW-OXJNMPFZSA-N 1 1 379.460 3.646 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001173237451 906348614 /nfs/dbraw/zinc/34/86/14/906348614.db2.gz JYXWFHQPPXLWDT-YLJYHZDGSA-N 1 1 382.460 3.981 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)c1 ZINC001174833982 907229055 /nfs/dbraw/zinc/22/90/55/907229055.db2.gz ZEEGZAPIFATLPT-MRXNPFEDSA-N 1 1 385.489 3.629 20 5 GHBDMO Cc1c([C@@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000183006399 907311005 /nfs/dbraw/zinc/31/10/05/907311005.db2.gz VZWCDXOSVLMSHS-FOIQADDNSA-N 1 1 382.464 3.526 20 5 GHBDMO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc([N+](=O)[O-])ccc2OC(C)C)no1 ZINC001175642804 907655812 /nfs/dbraw/zinc/65/58/12/907655812.db2.gz AQDXCKMZGYEOQP-ZXFUBFMLSA-N 1 1 386.452 3.984 20 5 GHBDMO COc1cc2c(cc1OC)C1(CCC1)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC001176193693 907969311 /nfs/dbraw/zinc/96/93/11/907969311.db2.gz UQWXYPCUVOYGEI-UHFFFAOYSA-N 1 1 398.459 3.928 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]([N@@H+](C)CC)C2)cc1OC ZINC001177051169 908382803 /nfs/dbraw/zinc/38/28/03/908382803.db2.gz TUNXFEZSRBVLRO-NVXWUHKLSA-N 1 1 379.501 3.554 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193789086 908714061 /nfs/dbraw/zinc/71/40/61/908714061.db2.gz GXQKKQHIPLJZCM-FUHWJXTLSA-N 1 1 399.516 3.714 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193883784 908780073 /nfs/dbraw/zinc/78/00/73/908780073.db2.gz DHGFGPOUCBPNRH-SFHVURJKSA-N 1 1 382.464 3.855 20 5 GHBDMO CCC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC001179979774 909847001 /nfs/dbraw/zinc/84/70/01/909847001.db2.gz JUBFVVCIBGTMBW-MRXNPFEDSA-N 1 1 389.418 3.546 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000246232406 910197459 /nfs/dbraw/zinc/19/74/59/910197459.db2.gz GIGFACUTPAVGSV-RTBURBONSA-N 1 1 394.431 3.905 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000246232406 910197461 /nfs/dbraw/zinc/19/74/61/910197461.db2.gz GIGFACUTPAVGSV-RTBURBONSA-N 1 1 394.431 3.905 20 5 GHBDMO C[C@H]1CCC[C@H]([N@@H+](C)CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795408823 910241033 /nfs/dbraw/zinc/24/10/33/910241033.db2.gz MKBDZJURHWZEOR-AAEUAGOBSA-N 1 1 396.285 3.781 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270596742 910620692 /nfs/dbraw/zinc/62/06/92/910620692.db2.gz VEFAYQKPZFJIKC-LJQANCHMSA-N 1 1 395.463 3.524 20 5 GHBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270596742 910620697 /nfs/dbraw/zinc/62/06/97/910620697.db2.gz VEFAYQKPZFJIKC-LJQANCHMSA-N 1 1 395.463 3.524 20 5 GHBDMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775059020 914886915 /nfs/dbraw/zinc/88/69/15/914886915.db2.gz GMGGHJHXKPANEP-UHFFFAOYSA-N 1 1 399.451 3.637 20 5 GHBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1 ZINC000360810716 916329126 /nfs/dbraw/zinc/32/91/26/916329126.db2.gz PCGABZCMLJLBRV-QAPCUYQASA-N 1 1 385.489 3.814 20 5 GHBDMO C[C@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294686998 916933202 /nfs/dbraw/zinc/93/32/02/916933202.db2.gz IKBFUQNSEDSVPX-INIZCTEOSA-N 1 1 379.464 3.857 20 5 GHBDMO O=C(C[N@H+](Cc1ccc(Cl)cc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001190392477 917296773 /nfs/dbraw/zinc/29/67/73/917296773.db2.gz PTHHQCWKGKGVFW-UHFFFAOYSA-N 1 1 385.851 3.802 20 5 GHBDMO O=C(C[N@@H+](Cc1ccc(Cl)cc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001190392477 917296778 /nfs/dbraw/zinc/29/67/78/917296778.db2.gz PTHHQCWKGKGVFW-UHFFFAOYSA-N 1 1 385.851 3.802 20 5 GHBDMO CCOC(=O)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)CC1CC1 ZINC001190662500 917452740 /nfs/dbraw/zinc/45/27/40/917452740.db2.gz ZXUWTKDJUGLWPU-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO CCOC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)CC1CC1 ZINC001190662500 917452749 /nfs/dbraw/zinc/45/27/49/917452749.db2.gz ZXUWTKDJUGLWPU-UHFFFAOYSA-N 1 1 385.258 3.523 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001190855085 917604511 /nfs/dbraw/zinc/60/45/11/917604511.db2.gz MWINNVUTCGXISK-FUHWJXTLSA-N 1 1 397.475 3.885 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001191121253 917766871 /nfs/dbraw/zinc/76/68/71/917766871.db2.gz ITPVMWQFDLHTMD-MRXNPFEDSA-N 1 1 385.464 3.803 20 5 GHBDMO COc1ccc(C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000007661883 919694035 /nfs/dbraw/zinc/69/40/35/919694035.db2.gz DZUPPIIHTZGFFJ-UHFFFAOYSA-N 1 1 389.839 3.860 20 5 GHBDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000007661883 919694081 /nfs/dbraw/zinc/69/40/81/919694081.db2.gz DZUPPIIHTZGFFJ-UHFFFAOYSA-N 1 1 389.839 3.860 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000802655221 922311392 /nfs/dbraw/zinc/31/13/92/922311392.db2.gz VUNPIUDYPYHFJI-SFHVURJKSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000802655221 922311401 /nfs/dbraw/zinc/31/14/01/922311401.db2.gz VUNPIUDYPYHFJI-SFHVURJKSA-N 1 1 383.876 3.985 20 5 GHBDMO COc1cc([C@H](C)[NH2+][C@H](Cc2ccccc2)c2nccn2C)cc([N+](=O)[O-])c1 ZINC000903192909 922843569 /nfs/dbraw/zinc/84/35/69/922843569.db2.gz BBAGIBMWSYNBDW-MGPUTAFESA-N 1 1 380.448 3.972 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@]4(C3)OCc3ccccc34)o2)cc1 ZINC000369003587 923047321 /nfs/dbraw/zinc/04/73/21/923047321.db2.gz VUJZNGDBZPRAHU-OAQYLSRUSA-N 1 1 392.415 3.666 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@]4(C3)OCc3ccccc34)o2)cc1 ZINC000369003587 923047333 /nfs/dbraw/zinc/04/73/33/923047333.db2.gz VUJZNGDBZPRAHU-OAQYLSRUSA-N 1 1 392.415 3.666 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(c4nc(C(F)(F)F)c[nH]4)CC3)nc2c1 ZINC000370227024 923973222 /nfs/dbraw/zinc/97/32/22/923973222.db2.gz HMPJAWPESRLMRX-UHFFFAOYSA-N 1 1 395.341 3.858 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2sccc2[C@H]1C ZINC000411144505 926120658 /nfs/dbraw/zinc/12/06/58/926120658.db2.gz KAEYMTLLJPQLAA-GFCCVEGCSA-N 1 1 375.450 3.613 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)s1 ZINC000827943647 926370020 /nfs/dbraw/zinc/37/00/20/926370020.db2.gz YTSNPVKLTRAOBO-LBPRGKRZSA-N 1 1 395.868 3.871 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)s1 ZINC000827943647 926370030 /nfs/dbraw/zinc/37/00/30/926370030.db2.gz YTSNPVKLTRAOBO-LBPRGKRZSA-N 1 1 395.868 3.871 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](CCc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000749491146 927137485 /nfs/dbraw/zinc/13/74/85/927137485.db2.gz LQNGYOLUSQQUTE-SFHVURJKSA-N 1 1 375.469 3.611 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000375014065 927814251 /nfs/dbraw/zinc/81/42/51/927814251.db2.gz SHMBYWKBZDZHHD-OWCLPIDISA-N 1 1 386.452 3.844 20 5 GHBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466925696 928510767 /nfs/dbraw/zinc/51/07/67/928510767.db2.gz HQJUXTZUSVOEFX-INIZCTEOSA-N 1 1 397.500 3.926 20 5 GHBDMO COc1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000543889059 928539930 /nfs/dbraw/zinc/53/99/30/928539930.db2.gz PCVSCHKAQXKKRX-INIZCTEOSA-N 1 1 392.843 3.681 20 5 GHBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000752082531 928599094 /nfs/dbraw/zinc/59/90/94/928599094.db2.gz CGWYJVREDSYZAZ-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000752082531 928599098 /nfs/dbraw/zinc/59/90/98/928599098.db2.gz CGWYJVREDSYZAZ-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000544386618 929118004 /nfs/dbraw/zinc/11/80/04/929118004.db2.gz YJMIWWYRJNLHCO-LBPRGKRZSA-N 1 1 387.827 3.688 20 5 GHBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000758268953 929996299 /nfs/dbraw/zinc/99/62/99/929996299.db2.gz VAOIUOJAUGVYCG-XLIONFOSSA-N 1 1 384.411 3.893 20 5 GHBDMO C[NH+](C)[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000470134060 930396679 /nfs/dbraw/zinc/39/66/79/930396679.db2.gz CDTNMWBBZRNYEI-INIZCTEOSA-N 1 1 380.807 3.812 20 5 GHBDMO Cc1cccc(OCCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000780762448 930592720 /nfs/dbraw/zinc/59/27/20/930592720.db2.gz IBRYQGGDSDCNLZ-FQEVSTJZSA-N 1 1 380.448 3.785 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCOc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000780763189 930593280 /nfs/dbraw/zinc/59/32/80/930593280.db2.gz ZWPFTVNRQVTZTL-IBGZPJMESA-N 1 1 384.411 3.616 20 5 GHBDMO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780768687 930595265 /nfs/dbraw/zinc/59/52/65/930595265.db2.gz TYICVIMHBZEVJE-SKDZVZGDSA-N 1 1 386.477 3.581 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470642447 930778995 /nfs/dbraw/zinc/77/89/95/930778995.db2.gz QQYSNDKCHRLRMD-KDURUIRLSA-N 1 1 394.475 3.807 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000470983167 931075916 /nfs/dbraw/zinc/07/59/16/931075916.db2.gz JIEGKTMLVYVACL-INIZCTEOSA-N 1 1 385.464 3.634 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782484112 931237642 /nfs/dbraw/zinc/23/76/42/931237642.db2.gz CKVRBQKPPKONBL-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782484112 931237647 /nfs/dbraw/zinc/23/76/47/931237647.db2.gz CKVRBQKPPKONBL-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C)c1ccccc1 ZINC000782483889 931237821 /nfs/dbraw/zinc/23/78/21/931237821.db2.gz VKDYECPMODSPAH-OAHLLOKOSA-N 1 1 389.427 3.772 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000782487864 931240474 /nfs/dbraw/zinc/24/04/74/931240474.db2.gz NKAANUACTAEAJT-BLLLJJGKSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000782487864 931240485 /nfs/dbraw/zinc/24/04/85/931240485.db2.gz NKAANUACTAEAJT-BLLLJJGKSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557460429 931446019 /nfs/dbraw/zinc/44/60/19/931446019.db2.gz VCYDYFUSLNGJGW-QGZVFWFLSA-N 1 1 379.416 3.757 20 5 GHBDMO C/C(=C/C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000783928944 931720533 /nfs/dbraw/zinc/72/05/33/931720533.db2.gz VFUIUXTYPOTNHW-AOYOVTADSA-N 1 1 379.460 3.950 20 5 GHBDMO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1Cc1ccccc1 ZINC000557930449 931760181 /nfs/dbraw/zinc/76/01/81/931760181.db2.gz JQBZWNMPSTUGTF-BEFAXECRSA-N 1 1 390.443 3.536 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000784517021 931921752 /nfs/dbraw/zinc/92/17/52/931921752.db2.gz PIQNBPBSEJSPSZ-RBSFLKMASA-N 1 1 381.498 3.782 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000927112470 932416920 /nfs/dbraw/zinc/41/69/20/932416920.db2.gz NYXRFGZLAPYUKC-RTWAWAEBSA-N 1 1 392.459 3.711 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000559244175 932544075 /nfs/dbraw/zinc/54/40/75/932544075.db2.gz QRBUMQLRKRXPNW-NSHDSACASA-N 1 1 382.342 3.864 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000559244175 932544079 /nfs/dbraw/zinc/54/40/79/932544079.db2.gz QRBUMQLRKRXPNW-NSHDSACASA-N 1 1 382.342 3.864 20 5 GHBDMO CCNc1ccc(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000798523184 932686277 /nfs/dbraw/zinc/68/62/77/932686277.db2.gz GLBWSDVYOSHONY-JOCHJYFZSA-N 1 1 396.491 3.669 20 5 GHBDMO Cc1ccccc1OCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000560530357 933314405 /nfs/dbraw/zinc/31/44/05/933314405.db2.gz YBQZXCJCGFQRMR-HXUWFJFHSA-N 1 1 380.448 3.785 20 5 GHBDMO Cc1sc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000560769518 933545441 /nfs/dbraw/zinc/54/54/41/933545441.db2.gz UVFURPOZGCXYLP-HXUWFJFHSA-N 1 1 385.489 3.703 20 5 GHBDMO Cc1c(-c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)cnn1-c1cc[nH+]cc1 ZINC001116593614 933653299 /nfs/dbraw/zinc/65/32/99/933653299.db2.gz BGZFHKHGVFMCER-UHFFFAOYSA-N 1 1 376.376 3.818 20 5 GHBDMO CC(C)(CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)c1cccnc1 ZINC001118565408 934197855 /nfs/dbraw/zinc/19/78/55/934197855.db2.gz YWLZOJDOHGJCAI-MRXNPFEDSA-N 1 1 394.269 3.602 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000561774235 934441984 /nfs/dbraw/zinc/44/19/84/934441984.db2.gz WIPWPZDDIUIEIK-IBGZPJMESA-N 1 1 377.510 3.655 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000561794373 934457544 /nfs/dbraw/zinc/45/75/44/934457544.db2.gz ZRYRDEBNXWWINE-UHFFFAOYSA-N 1 1 383.448 3.905 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000778069653 934831212 /nfs/dbraw/zinc/83/12/12/934831212.db2.gz BRSITPKHVVPOJG-OAQYLSRUSA-N 1 1 385.439 3.827 20 5 GHBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC001124609076 935425932 /nfs/dbraw/zinc/42/59/32/935425932.db2.gz IPAZXMYFVZMTCF-UHFFFAOYSA-N 1 1 387.867 3.525 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000829539028 935824674 /nfs/dbraw/zinc/82/46/74/935824674.db2.gz WLYRSIKCTHYHAS-HXUWFJFHSA-N 1 1 385.420 3.666 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000829871963 935876115 /nfs/dbraw/zinc/87/61/15/935876115.db2.gz FUDLCCGWTLBKIM-MSOLQXFVSA-N 1 1 386.839 3.995 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000829871963 935876119 /nfs/dbraw/zinc/87/61/19/935876119.db2.gz FUDLCCGWTLBKIM-MSOLQXFVSA-N 1 1 386.839 3.995 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545154264 1015592468 /nfs/dbraw/zinc/59/24/68/1015592468.db2.gz HACIIYCUDMFUTO-AWEZNQCLSA-N 1 1 379.476 3.638 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001227124910 1032279517 /nfs/dbraw/zinc/27/95/17/1032279517.db2.gz SIMYMISBZPQIIS-DNVCBOLYSA-N 1 1 384.432 3.671 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001227336338 1032379777 /nfs/dbraw/zinc/37/97/77/1032379777.db2.gz BMLLLWQFTLEMMJ-CYBMUJFWSA-N 1 1 383.235 3.653 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001227336338 1032379783 /nfs/dbraw/zinc/37/97/83/1032379783.db2.gz BMLLLWQFTLEMMJ-CYBMUJFWSA-N 1 1 383.235 3.653 20 5 GHBDMO Cc1nc(Cl)nc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001227339741 1032381297 /nfs/dbraw/zinc/38/12/97/1032381297.db2.gz KGQUMTLRHAGAGM-MUJYYYPQSA-N 1 1 388.855 3.921 20 5 GHBDMO Cc1ccc(N2CCC(Oc3ncnc4cc(Cl)c([N+](=O)[O-])cc43)CC2)[nH+]c1 ZINC001227368259 1032392011 /nfs/dbraw/zinc/39/20/11/1032392011.db2.gz YRVHSSLHNYUWJM-UHFFFAOYSA-N 1 1 399.838 3.943 20 5 GHBDMO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001221541866 1032455549 /nfs/dbraw/zinc/45/55/49/1032455549.db2.gz JEWGGOAYPHIEQK-IEBWSBKVSA-N 1 1 396.491 3.867 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001155284888 1032485115 /nfs/dbraw/zinc/48/51/15/1032485115.db2.gz NNBFQXUHNTVVIY-NRFANRHFSA-N 1 1 395.503 3.550 20 5 GHBDMO Cc1nc(NC2(C)C[NH+](C(c3ccccc3)c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001155305637 1032493631 /nfs/dbraw/zinc/49/36/31/1032493631.db2.gz LIGZNHOHAJIHJL-UHFFFAOYSA-N 1 1 389.459 3.969 20 5 GHBDMO COC(=O)c1cccc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001227896478 1032676777 /nfs/dbraw/zinc/67/67/77/1032676777.db2.gz ILOXRNBIBYYIAR-AWEZNQCLSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001227896478 1032676783 /nfs/dbraw/zinc/67/67/83/1032676783.db2.gz ILOXRNBIBYYIAR-AWEZNQCLSA-N 1 1 390.823 3.688 20 5 GHBDMO C[C@@H](Oc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228139068 1032805402 /nfs/dbraw/zinc/80/54/02/1032805402.db2.gz PGQKSRPICAKDIY-IERDGZPVSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@@H](Oc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228139068 1032805416 /nfs/dbraw/zinc/80/54/16/1032805416.db2.gz PGQKSRPICAKDIY-IERDGZPVSA-N 1 1 393.443 3.811 20 5 GHBDMO COc1c(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000574682210 1019901257 /nfs/dbraw/zinc/90/12/57/1019901257.db2.gz ITVDXCMTMNRGBM-SFHVURJKSA-N 1 1 397.475 3.636 20 5 GHBDMO Cc1cc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000575098564 1019924247 /nfs/dbraw/zinc/92/42/47/1019924247.db2.gz OMDSTEIYVSZQNW-MOPGFXCFSA-N 1 1 394.475 3.889 20 5 GHBDMO CC1CCC([N@@H+](C)CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC1 ZINC000795406899 1021054595 /nfs/dbraw/zinc/05/45/95/1021054595.db2.gz RJYRTLGEVXYJJS-UHFFFAOYSA-N 1 1 396.285 3.781 20 5 GHBDMO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000795425264 1021055943 /nfs/dbraw/zinc/05/59/43/1021055943.db2.gz KHVQLQANZXUNAO-OAHLLOKOSA-N 1 1 394.269 3.535 20 5 GHBDMO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000795425262 1021056123 /nfs/dbraw/zinc/05/61/23/1021056123.db2.gz KHVQLQANZXUNAO-HNNXBMFYSA-N 1 1 394.269 3.535 20 5 GHBDMO CCOc1nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001156315954 1032977666 /nfs/dbraw/zinc/97/76/66/1032977666.db2.gz DIAPLXRWWXHWPB-RCCFBDPRSA-N 1 1 382.464 3.711 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001156340381 1032993474 /nfs/dbraw/zinc/99/34/74/1032993474.db2.gz SQLMZCFTIYGARL-UHFFFAOYSA-N 1 1 384.823 3.981 20 5 GHBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000755162682 1023102835 /nfs/dbraw/zinc/10/28/35/1023102835.db2.gz LRRXWTWNKIEXJB-SQFISAMPSA-N 1 1 376.416 3.809 20 5 GHBDMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755192409 1023117946 /nfs/dbraw/zinc/11/79/46/1023117946.db2.gz BMZHLQHSJRJYJK-MRXNPFEDSA-N 1 1 383.217 3.662 20 5 GHBDMO C[C@@H](C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000755745507 1023360355 /nfs/dbraw/zinc/36/03/55/1023360355.db2.gz DUVNVGARBSJWOT-HIFRSBDPSA-N 1 1 376.384 3.638 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N2CCOC[C@H]2c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC001156733963 1033212350 /nfs/dbraw/zinc/21/23/50/1033212350.db2.gz YLEGFHQXSORFHC-DVBCCOPCSA-N 1 1 388.855 3.753 20 5 GHBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1Br ZINC000839592189 1026092227 /nfs/dbraw/zinc/09/22/27/1026092227.db2.gz HVGRCHPBDDXDNS-GOSISDBHSA-N 1 1 391.265 3.671 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](Nc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC001163371385 1026165175 /nfs/dbraw/zinc/16/51/75/1026165175.db2.gz PIASTCHFMWNUDZ-DTWKUNHWSA-N 1 1 381.786 3.588 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000839679401 1026194719 /nfs/dbraw/zinc/19/47/19/1026194719.db2.gz MWZJPVZTFWCOCM-LJQANCHMSA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000839679401 1026194729 /nfs/dbraw/zinc/19/47/29/1026194729.db2.gz MWZJPVZTFWCOCM-LJQANCHMSA-N 1 1 379.432 3.709 20 5 GHBDMO C[C@@]1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000839751614 1026247498 /nfs/dbraw/zinc/24/74/98/1026247498.db2.gz FVHCCKWPBZFEEI-XJUOHMSHSA-N 1 1 393.487 3.727 20 5 GHBDMO COc1cc(N2CC[NH+](CCCOC(C)(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC001164002196 1026382560 /nfs/dbraw/zinc/38/25/60/1026382560.db2.gz NOEQQNIXZNEZRW-UHFFFAOYSA-N 1 1 385.892 3.584 20 5 GHBDMO COc1ncc(Br)cc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001206691014 1026574753 /nfs/dbraw/zinc/57/47/53/1026574753.db2.gz AFIPCNCZMIEIJR-UHFFFAOYSA-N 1 1 386.633 3.704 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001165122865 1026617367 /nfs/dbraw/zinc/61/73/67/1026617367.db2.gz UJMCQZBBFFGDTI-UHFFFAOYSA-N 1 1 379.247 3.619 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001165181240 1026650238 /nfs/dbraw/zinc/65/02/38/1026650238.db2.gz HTXHDUCDOOPLJS-IIBYNOLFSA-N 1 1 391.475 3.885 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(OCc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC001166775817 1027080788 /nfs/dbraw/zinc/08/07/88/1027080788.db2.gz KQYQHWZEVCBCSH-UHFFFAOYSA-N 1 1 380.803 3.799 20 5 GHBDMO CC(C)[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001166816524 1027093097 /nfs/dbraw/zinc/09/30/97/1027093097.db2.gz ZRJYWFVFUBMPRF-FQEVSTJZSA-N 1 1 399.466 3.645 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC001141775928 1027217847 /nfs/dbraw/zinc/21/78/47/1027217847.db2.gz XHUQPKKEJCBCFE-LPHOPBHVSA-N 1 1 397.475 3.775 20 5 GHBDMO CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001142068708 1028021642 /nfs/dbraw/zinc/02/16/42/1028021642.db2.gz IZJQRIKAEIZPOB-QFBILLFUSA-N 1 1 399.466 3.960 20 5 GHBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001142263504 1028522829 /nfs/dbraw/zinc/52/28/29/1028522829.db2.gz CQXCNCCEDPTMQC-OAHLLOKOSA-N 1 1 380.231 3.688 20 5 GHBDMO C[C@@H](O[NH+]=C(N)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000842110768 1029074327 /nfs/dbraw/zinc/07/43/27/1029074327.db2.gz SHEQLDFTKVSLHR-CYBMUJFWSA-N 1 1 392.456 3.801 20 5 GHBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001216141160 1029540165 /nfs/dbraw/zinc/54/01/65/1029540165.db2.gz MECHTDAFTFDRIX-LLVKDONJSA-N 1 1 376.379 3.856 20 5 GHBDMO COc1cccc(-c2noc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])n2)c1F ZINC001216553122 1029684561 /nfs/dbraw/zinc/68/45/61/1029684561.db2.gz URNTVOCVPQGDME-UHFFFAOYSA-N 1 1 395.350 3.954 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001216794676 1029939247 /nfs/dbraw/zinc/93/92/47/1029939247.db2.gz DVEDASIVPBQKAR-AWEZNQCLSA-N 1 1 378.473 3.626 20 5 GHBDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC001461599679 1069632995 /nfs/dbraw/zinc/63/29/95/1069632995.db2.gz LBYXUYACACAWQN-OAHLLOKOSA-N 1 1 391.855 3.997 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001222777262 1030304314 /nfs/dbraw/zinc/30/43/14/1030304314.db2.gz GXGZNFQJZWVOQO-HZPDHXFCSA-N 1 1 399.447 3.519 20 5 GHBDMO COC(=O)c1ccc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001223414316 1030565092 /nfs/dbraw/zinc/56/50/92/1030565092.db2.gz BYNBCEAWIRGNSI-IIBYNOLFSA-N 1 1 398.459 3.809 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001224097001 1030881793 /nfs/dbraw/zinc/88/17/93/1030881793.db2.gz PKTNSYMADBZRLU-YWZLYKJASA-N 1 1 385.420 3.930 20 5 GHBDMO O=[N+]([O-])c1ccc(CO[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC001224099962 1030883958 /nfs/dbraw/zinc/88/39/58/1030883958.db2.gz HDOQQIAGRISHIF-MRXNPFEDSA-N 1 1 391.811 3.948 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC001152419812 1031232805 /nfs/dbraw/zinc/23/28/05/1031232805.db2.gz ULDKLVNOQGWYJX-DOTOQJQBSA-N 1 1 385.439 3.537 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)c1cnc(C[NH3+])s1 ZINC001219210926 1031307051 /nfs/dbraw/zinc/30/70/51/1031307051.db2.gz OQSWKXMNHKBSAW-UHFFFAOYSA-N 1 1 391.500 3.930 20 5 GHBDMO CCOc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC001219317525 1031354684 /nfs/dbraw/zinc/35/46/84/1031354684.db2.gz DMKGIACQMSMBQG-HUUCEWRRSA-N 1 1 390.484 3.768 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001225846430 1031648642 /nfs/dbraw/zinc/64/86/42/1031648642.db2.gz MOJMTBXIKMCMGT-LRDDRELGSA-N 1 1 381.354 3.908 20 5 GHBDMO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225895328 1031681247 /nfs/dbraw/zinc/68/12/47/1031681247.db2.gz SCBVFOHFONBKCH-TZMCWYRMSA-N 1 1 390.371 3.642 20 5 GHBDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225895328 1031681259 /nfs/dbraw/zinc/68/12/59/1031681259.db2.gz SCBVFOHFONBKCH-TZMCWYRMSA-N 1 1 390.371 3.642 20 5 GHBDMO O=[N+]([O-])c1cnc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001226338568 1031920861 /nfs/dbraw/zinc/92/08/61/1031920861.db2.gz AZYMPIJSAFSRJP-HNNXBMFYSA-N 1 1 392.253 3.796 20 5 GHBDMO O=[N+]([O-])c1cnc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001226338568 1031920866 /nfs/dbraw/zinc/92/08/66/1031920866.db2.gz AZYMPIJSAFSRJP-HNNXBMFYSA-N 1 1 392.253 3.796 20 5 GHBDMO N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220501569 1031966871 /nfs/dbraw/zinc/96/68/71/1031966871.db2.gz QUYIULWYTCFBQE-ZEQRLZLVSA-N 1 1 383.495 3.679 20 5 GHBDMO C[C@@H](Oc1cc([N+](=O)[O-])cc2cccnc21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229342499 1033426313 /nfs/dbraw/zinc/42/63/13/1033426313.db2.gz AFADQQVXEOVPBD-IERDGZPVSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@@H](Oc1cc([N+](=O)[O-])cc2cccnc21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229342499 1033426322 /nfs/dbraw/zinc/42/63/22/1033426322.db2.gz AFADQQVXEOVPBD-IERDGZPVSA-N 1 1 393.443 3.811 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001229404782 1033461583 /nfs/dbraw/zinc/46/15/83/1033461583.db2.gz ZWKONIKPWBDEKK-MRXNPFEDSA-N 1 1 384.823 3.845 20 5 GHBDMO COCCC[NH+]1CCC(Oc2ccc3c(c2)oc(=O)c2cc(O)ccc32)CC1 ZINC001229797596 1033724128 /nfs/dbraw/zinc/72/41/28/1033724128.db2.gz HRPLOWZYFDMURJ-UHFFFAOYSA-N 1 1 383.444 3.532 20 5 GHBDMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001158223103 1033969182 /nfs/dbraw/zinc/96/91/82/1033969182.db2.gz DJPQNIVELGUQBP-SFHVURJKSA-N 1 1 382.464 3.787 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001158223103 1033969185 /nfs/dbraw/zinc/96/91/85/1033969185.db2.gz DJPQNIVELGUQBP-SFHVURJKSA-N 1 1 382.464 3.787 20 5 GHBDMO CC(=O)Cc1c(F)c(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001230794104 1034229236 /nfs/dbraw/zinc/22/92/36/1034229236.db2.gz JJIOZALAWWJMHC-QGZVFWFLSA-N 1 1 386.423 3.909 20 5 GHBDMO CC(=O)Cc1c(F)c(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001230794104 1034229243 /nfs/dbraw/zinc/22/92/43/1034229243.db2.gz JJIOZALAWWJMHC-QGZVFWFLSA-N 1 1 386.423 3.909 20 5 GHBDMO CC(=O)Cc1c(F)c(OC2CCN(c3cc(C)cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC001230796822 1034230489 /nfs/dbraw/zinc/23/04/89/1034230489.db2.gz PPOSODMPMSESQM-UHFFFAOYSA-N 1 1 387.411 3.617 20 5 GHBDMO C[NH+](C)/C=C/c1cc(N2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)ncc1[N+](=O)[O-] ZINC001159036466 1034395497 /nfs/dbraw/zinc/39/54/97/1034395497.db2.gz SBHSVBVDCNNMJK-HABDOHHLSA-N 1 1 399.882 3.643 20 5 GHBDMO COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232221826 1035170157 /nfs/dbraw/zinc/17/01/57/1035170157.db2.gz DMJVGBRKASXKIP-NZQKXSOJSA-N 1 1 377.488 3.801 20 5 GHBDMO C[N@H+](Cc1ccc2ccc3cccnc3c2n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001232223197 1035171384 /nfs/dbraw/zinc/17/13/84/1035171384.db2.gz LSPVLPCYKASTRE-UHFFFAOYSA-N 1 1 378.476 3.834 20 5 GHBDMO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001232223197 1035171390 /nfs/dbraw/zinc/17/13/90/1035171390.db2.gz LSPVLPCYKASTRE-UHFFFAOYSA-N 1 1 378.476 3.834 20 5 GHBDMO CCOc1ccc(-c2noc([C@@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)cc1Cl ZINC001248210038 1035640824 /nfs/dbraw/zinc/64/08/24/1035640824.db2.gz KHHIUXUDPAOHOR-HNNXBMFYSA-N 1 1 388.811 3.939 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001248211024 1035642496 /nfs/dbraw/zinc/64/24/96/1035642496.db2.gz ZGZYSRVBZHYNRT-ZDUSSCGKSA-N 1 1 380.738 3.819 20 5 GHBDMO C[NH+]1CCN(C(=O)c2cccc(-c3ccnc4c3ccc3cccnc34)c2)CC1 ZINC001241880350 1035739922 /nfs/dbraw/zinc/73/99/22/1035739922.db2.gz WLQVMPOKCRNWQS-UHFFFAOYSA-N 1 1 382.467 3.838 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001248635545 1036015029 /nfs/dbraw/zinc/01/50/29/1036015029.db2.gz GPBCDMGGMHYLOK-ZWKOTPCHSA-N 1 1 396.491 3.819 20 5 GHBDMO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001248662120 1036035827 /nfs/dbraw/zinc/03/58/27/1036035827.db2.gz JGKSCABYPVFVBU-FXAWDEMLSA-N 1 1 396.491 3.962 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CCC[NH2+][C@@H]2c2ccccc2)c1F ZINC001246332412 1037299616 /nfs/dbraw/zinc/29/96/16/1037299616.db2.gz FTOPYZJQEKYHPC-DAESXHAQSA-N 1 1 387.455 3.756 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C1 ZINC001233506101 1039396371 /nfs/dbraw/zinc/39/63/71/1039396371.db2.gz LWCLQUVODNTGGS-NWDGAFQWSA-N 1 1 387.827 3.734 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)cc(Br)c1OC1CC[NH+](CCF)CC1 ZINC001233788435 1039619899 /nfs/dbraw/zinc/61/98/99/1039619899.db2.gz HEABBKVXKQCJJM-UHFFFAOYSA-N 1 1 381.629 3.823 20 5 GHBDMO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ncccc12 ZINC001233903003 1039693753 /nfs/dbraw/zinc/69/37/53/1039693753.db2.gz ZKOUJFVESLBMAS-HNNXBMFYSA-N 1 1 394.387 3.705 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001233979748 1039740815 /nfs/dbraw/zinc/74/08/15/1039740815.db2.gz CANUKGBBEWDRRW-JTSKRJEESA-N 1 1 384.476 3.804 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001254237560 1040088887 /nfs/dbraw/zinc/08/88/87/1040088887.db2.gz HDACXTSAKIEJOL-INIZCTEOSA-N 1 1 377.510 3.797 20 5 GHBDMO C[C@H](c1ccccc1)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254479517 1040267317 /nfs/dbraw/zinc/26/73/17/1040267317.db2.gz CXTUBXZXTUMZMA-LJQANCHMSA-N 1 1 394.519 3.942 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001254556935 1040325925 /nfs/dbraw/zinc/32/59/25/1040325925.db2.gz NPJCTSGTCJAKFJ-FOIQADDNSA-N 1 1 385.489 3.716 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001254562746 1040336351 /nfs/dbraw/zinc/33/63/51/1040336351.db2.gz TYEPWCYXKHULRK-OPAMFIHVSA-N 1 1 397.450 3.794 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001254569745 1040346237 /nfs/dbraw/zinc/34/62/37/1040346237.db2.gz KMNLYIUMOIZEPC-UBDQQSCGSA-N 1 1 389.496 3.761 20 5 GHBDMO CC[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001254600329 1040371618 /nfs/dbraw/zinc/37/16/18/1040371618.db2.gz PAEZIIHJEIULKH-LJQANCHMSA-N 1 1 389.496 3.783 20 5 GHBDMO C[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254606424 1040377992 /nfs/dbraw/zinc/37/79/92/1040377992.db2.gz FWMKNZWICLYOGD-RXVVDRJESA-N 1 1 389.496 3.783 20 5 GHBDMO C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001254609412 1040382318 /nfs/dbraw/zinc/38/23/18/1040382318.db2.gz WHLCBRBYYSUQTB-QYZOEREBSA-N 1 1 389.496 3.830 20 5 GHBDMO COc1cc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)ccc1[N+](=O)[O-] ZINC001255385008 1040974563 /nfs/dbraw/zinc/97/45/63/1040974563.db2.gz AVMXQZHWEQDQOJ-INIZCTEOSA-N 1 1 380.404 3.643 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255426081 1041023691 /nfs/dbraw/zinc/02/36/91/1041023691.db2.gz CWGJLRRCFJTIEJ-HNNXBMFYSA-N 1 1 382.395 3.697 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)cnc1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255462867 1041064585 /nfs/dbraw/zinc/06/45/85/1041064585.db2.gz GJESPFQMZKLQTD-ZDUSSCGKSA-N 1 1 385.811 3.683 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1F ZINC001255478434 1041078459 /nfs/dbraw/zinc/07/84/59/1041078459.db2.gz LYACJLFCBILPAU-ZDUSSCGKSA-N 1 1 386.358 3.913 20 5 GHBDMO COc1cc(N2CCC([N@@H+](C)CCc3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC001256101167 1041529046 /nfs/dbraw/zinc/52/90/46/1041529046.db2.gz AEYSMBAQHHCHEP-UHFFFAOYSA-N 1 1 387.455 3.886 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001292070650 1043582518 /nfs/dbraw/zinc/58/25/18/1043582518.db2.gz HGYFNKNLZNFHDH-SJLPKXTDSA-N 1 1 375.513 3.790 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001292110060 1043597176 /nfs/dbraw/zinc/59/71/76/1043597176.db2.gz QYBNSEUKGQECBA-WMLDXEAASA-N 1 1 387.867 3.742 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001278981639 1043784186 /nfs/dbraw/zinc/78/41/86/1043784186.db2.gz GKCMXMAQUSEULL-SFHVURJKSA-N 1 1 396.491 3.810 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001294803980 1044800935 /nfs/dbraw/zinc/80/09/35/1044800935.db2.gz NQVOSIDFHMQWMO-APWZRJJASA-N 1 1 397.475 3.775 20 5 GHBDMO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001301104578 1046343672 /nfs/dbraw/zinc/34/36/72/1046343672.db2.gz RTXWYRODTZYJDZ-HXUWFJFHSA-N 1 1 385.439 3.717 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001301104578 1046343684 /nfs/dbraw/zinc/34/36/84/1046343684.db2.gz RTXWYRODTZYJDZ-HXUWFJFHSA-N 1 1 385.439 3.717 20 5 GHBDMO C[C@]12CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001303367835 1047373024 /nfs/dbraw/zinc/37/30/24/1047373024.db2.gz CBHVONHGTPEKKK-IERDGZPVSA-N 1 1 399.878 3.842 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001287715958 1048902181 /nfs/dbraw/zinc/90/21/81/1048902181.db2.gz OFUREMJFSJPHFJ-FQEVSTJZSA-N 1 1 381.476 3.698 20 5 GHBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC001306922152 1048960455 /nfs/dbraw/zinc/96/04/55/1048960455.db2.gz GEJJSENYORFVCD-BETUJISGSA-N 1 1 392.887 3.518 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N[C@@]23CC[N@@H+](C2)CCC3)cc1[N+](=O)[O-] ZINC001288004156 1048966529 /nfs/dbraw/zinc/96/65/29/1048966529.db2.gz MMDBGWSYPUNESH-IBGZPJMESA-N 1 1 377.510 3.701 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001306982993 1048991534 /nfs/dbraw/zinc/99/15/34/1048991534.db2.gz VFYFBNXSHGPLGE-YJBOKZPZSA-N 1 1 383.448 3.704 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001307459698 1049296493 /nfs/dbraw/zinc/29/64/93/1049296493.db2.gz ZRAKKKWWZJQVAM-HXUWFJFHSA-N 1 1 396.535 3.714 20 5 GHBDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1C ZINC001307486452 1049326896 /nfs/dbraw/zinc/32/68/96/1049326896.db2.gz GZRKDXWZKPJZNZ-OAQYLSRUSA-N 1 1 379.460 3.938 20 5 GHBDMO CC[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@H]1c1ccccc1 ZINC001307519137 1049363278 /nfs/dbraw/zinc/36/32/78/1049363278.db2.gz AXEKADNEIWANIY-DYESRHJHSA-N 1 1 393.487 4.000 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC001307749384 1049561984 /nfs/dbraw/zinc/56/19/84/1049561984.db2.gz RVIHYVAKKWINBO-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC001307749384 1049561996 /nfs/dbraw/zinc/56/19/96/1049561996.db2.gz RVIHYVAKKWINBO-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307856745 1049639253 /nfs/dbraw/zinc/63/92/53/1049639253.db2.gz KGSHFTXOXSOMNX-HZPDHXFCSA-N 1 1 378.469 3.806 20 5 GHBDMO C[C@]1(Cc2ccc(F)c(Cl)c2)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001308004954 1049754151 /nfs/dbraw/zinc/75/41/51/1049754151.db2.gz FJMZZOAPASJCOW-LJQANCHMSA-N 1 1 393.846 3.646 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC001308349327 1049955258 /nfs/dbraw/zinc/95/52/58/1049955258.db2.gz FTWVQWDYESIUMO-CYBMUJFWSA-N 1 1 399.285 3.913 20 5 GHBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC001308711534 1050068423 /nfs/dbraw/zinc/06/84/23/1050068423.db2.gz OYQOYDBSCNMMPH-CQSZACIVSA-N 1 1 392.477 3.661 20 5 GHBDMO COC1CCC(C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC001308761682 1050086049 /nfs/dbraw/zinc/08/60/49/1050086049.db2.gz VKCDISRZFDAOKP-UHFFFAOYSA-N 1 1 383.286 3.921 20 5 GHBDMO COC1CCC(C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC001308761682 1050086055 /nfs/dbraw/zinc/08/60/55/1050086055.db2.gz VKCDISRZFDAOKP-UHFFFAOYSA-N 1 1 383.286 3.921 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC001334842967 1051989436 /nfs/dbraw/zinc/98/94/36/1051989436.db2.gz AFXWFCWCUBRQBO-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001344473989 1054504676 /nfs/dbraw/zinc/50/46/76/1054504676.db2.gz SEJUZWBLLFQQFK-MAUKXSAKSA-N 1 1 398.463 3.636 20 5 GHBDMO COc1ccc(C[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C2CC2)cc1 ZINC000848473315 1057110448 /nfs/dbraw/zinc/11/04/48/1057110448.db2.gz DFKIAPQIXVUIFF-NRFANRHFSA-N 1 1 395.459 3.541 20 5 GHBDMO COc1ccc(C[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C2CC2)cc1 ZINC000848473315 1057110451 /nfs/dbraw/zinc/11/04/51/1057110451.db2.gz DFKIAPQIXVUIFF-NRFANRHFSA-N 1 1 395.459 3.541 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848486773 1057122292 /nfs/dbraw/zinc/12/22/92/1057122292.db2.gz JONCOAMZRZAGEW-ZXFPDNNPSA-N 1 1 384.480 3.677 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000848488444 1057123576 /nfs/dbraw/zinc/12/35/76/1057123576.db2.gz BPSUXDCFJDPDKF-HXUWFJFHSA-N 1 1 382.464 3.697 20 5 GHBDMO CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001355531344 1057197787 /nfs/dbraw/zinc/19/77/87/1057197787.db2.gz XWXDUBHUEVZCLX-FQEVSTJZSA-N 1 1 399.466 3.790 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1Cl ZINC001325192721 1057287212 /nfs/dbraw/zinc/28/72/12/1057287212.db2.gz FLDVBRYRJCVDRD-AEFFLSMTSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1Cl ZINC001325192721 1057287215 /nfs/dbraw/zinc/28/72/15/1057287215.db2.gz FLDVBRYRJCVDRD-AEFFLSMTSA-N 1 1 391.830 3.871 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001326489850 1057495116 /nfs/dbraw/zinc/49/51/16/1057495116.db2.gz UYOOGYIIUVZJEG-RDJZCZTQSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001326489850 1057495124 /nfs/dbraw/zinc/49/51/24/1057495124.db2.gz UYOOGYIIUVZJEG-RDJZCZTQSA-N 1 1 377.803 3.563 20 5 GHBDMO C[NH+](C)Cc1cc(C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 ZINC001435384442 1062561628 /nfs/dbraw/zinc/56/16/28/1062561628.db2.gz IFRPIPFXBICVQI-UHFFFAOYSA-N 1 1 397.387 3.794 20 5 GHBDMO C[C@@H](CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001435421367 1062593187 /nfs/dbraw/zinc/59/31/87/1062593187.db2.gz FCURVPYGAYBSTB-INIZCTEOSA-N 1 1 387.455 3.693 20 5 GHBDMO C[C@@H](C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCc2ccccc2C1 ZINC001457895391 1063427566 /nfs/dbraw/zinc/42/75/66/1063427566.db2.gz WWLRKHBMWDOKKO-AWEZNQCLSA-N 1 1 376.416 3.528 20 5 GHBDMO C[C@@H](C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)[N@H+]1CCc2ccccc2C1 ZINC001457895391 1063427572 /nfs/dbraw/zinc/42/75/72/1063427572.db2.gz WWLRKHBMWDOKKO-AWEZNQCLSA-N 1 1 376.416 3.528 20 5 GHBDMO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001436596089 1063555765 /nfs/dbraw/zinc/55/57/65/1063555765.db2.gz BKVCQAWMEBWRCG-LJQANCHMSA-N 1 1 381.476 3.935 20 5 GHBDMO C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC001458372364 1063769013 /nfs/dbraw/zinc/76/90/13/1063769013.db2.gz YHXITGAVQSVWPX-INIZCTEOSA-N 1 1 390.281 3.720 20 5 GHBDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001437725401 1063922417 /nfs/dbraw/zinc/92/24/17/1063922417.db2.gz HBOZKIXZEBBABL-NRFANRHFSA-N 1 1 381.476 3.886 20 5 GHBDMO C[C@H]1C[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001459066282 1063991423 /nfs/dbraw/zinc/99/14/23/1063991423.db2.gz IGYDXFQEUKANMW-RDJZCZTQSA-N 1 1 383.448 3.843 20 5 GHBDMO CSc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001438339165 1064038056 /nfs/dbraw/zinc/03/80/56/1064038056.db2.gz XLAZCIFKNMGGJF-CRAIPNDOSA-N 1 1 399.516 3.815 20 5 GHBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001438565250 1064070213 /nfs/dbraw/zinc/07/02/13/1064070213.db2.gz SLQIKDMCOIIVQJ-BHIFYINESA-N 1 1 393.487 3.869 20 5 GHBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459464494 1064105600 /nfs/dbraw/zinc/10/56/00/1064105600.db2.gz DMNGTDMSINSLHZ-MRXNPFEDSA-N 1 1 381.448 3.955 20 5 GHBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459464494 1064105604 /nfs/dbraw/zinc/10/56/04/1064105604.db2.gz DMNGTDMSINSLHZ-MRXNPFEDSA-N 1 1 381.448 3.955 20 5 GHBDMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cc([N+](=O)[O-])ccc1F ZINC001350619776 1064145035 /nfs/dbraw/zinc/14/50/35/1064145035.db2.gz JRZUXAVCYRWYNE-UHFFFAOYSA-N 1 1 397.410 3.848 20 5 GHBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC001459675857 1064164197 /nfs/dbraw/zinc/16/41/97/1064164197.db2.gz ZCLGSIAEUVMTGN-QGZVFWFLSA-N 1 1 385.464 3.885 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC001459677514 1064164683 /nfs/dbraw/zinc/16/46/83/1064164683.db2.gz PVFNOUKGQNOIRZ-UYAOXDASSA-N 1 1 382.460 3.877 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC001459677510 1064164841 /nfs/dbraw/zinc/16/48/41/1064164841.db2.gz PVFNOUKGQNOIRZ-QUCCMNQESA-N 1 1 382.460 3.877 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC001459773194 1064210588 /nfs/dbraw/zinc/21/05/88/1064210588.db2.gz ZGKQMYJGBHMLEN-HOTGVXAUSA-N 1 1 379.501 3.554 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001465016197 1065329310 /nfs/dbraw/zinc/32/93/10/1065329310.db2.gz XDOWNIALCIGMQQ-CQSZACIVSA-N 1 1 398.301 3.660 20 5 GHBDMO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001465780623 1065851472 /nfs/dbraw/zinc/85/14/72/1065851472.db2.gz UGUHLZGRUKNYGU-UHFFFAOYSA-N 1 1 385.464 3.852 20 5 GHBDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001465780623 1065851486 /nfs/dbraw/zinc/85/14/86/1065851486.db2.gz UGUHLZGRUKNYGU-UHFFFAOYSA-N 1 1 385.464 3.852 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1c1ccccc1F ZINC001200364629 1065992009 /nfs/dbraw/zinc/99/20/09/1065992009.db2.gz ATSQOMMAZXZSQQ-GOSISDBHSA-N 1 1 395.390 3.889 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001466376543 1066122051 /nfs/dbraw/zinc/12/20/51/1066122051.db2.gz OHVRLLBYUVJJQN-CRAIPNDOSA-N 1 1 398.463 3.778 20 5 GHBDMO CC[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001466752216 1066295533 /nfs/dbraw/zinc/29/55/33/1066295533.db2.gz ANRNLCUSOFCTKA-IBGZPJMESA-N 1 1 395.503 3.995 20 5 GHBDMO CC[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001466752216 1066295542 /nfs/dbraw/zinc/29/55/42/1066295542.db2.gz ANRNLCUSOFCTKA-IBGZPJMESA-N 1 1 395.503 3.995 20 5 GHBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001473280393 1067148370 /nfs/dbraw/zinc/14/83/70/1067148370.db2.gz XBJQVQHRHRSMDL-UHFFFAOYSA-N 1 1 386.452 3.663 20 5 GHBDMO Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001467526454 1067343686 /nfs/dbraw/zinc/34/36/86/1067343686.db2.gz GAAUIXMNCCSQSI-SFHVURJKSA-N 1 1 382.464 3.937 20 5 GHBDMO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC001468990337 1067946168 /nfs/dbraw/zinc/94/61/68/1067946168.db2.gz PTFICWLZUVYNRQ-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001468990337 1067946173 /nfs/dbraw/zinc/94/61/73/1067946173.db2.gz PTFICWLZUVYNRQ-GOSISDBHSA-N 1 1 396.491 3.520 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001469070367 1067969151 /nfs/dbraw/zinc/96/91/51/1067969151.db2.gz VIUZBUITVAIECB-MSOLQXFVSA-N 1 1 396.491 3.880 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001469070367 1067969153 /nfs/dbraw/zinc/96/91/53/1067969153.db2.gz VIUZBUITVAIECB-MSOLQXFVSA-N 1 1 396.491 3.880 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001460944521 1069289912 /nfs/dbraw/zinc/28/99/12/1069289912.db2.gz DMJDTTMUCIONJT-FQEVSTJZSA-N 1 1 383.448 3.695 20 5 GHBDMO C[C@@H](NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001471321603 1073017980 /nfs/dbraw/zinc/01/79/80/1073017980.db2.gz LZJMLYZHPLESKM-ZWKOTPCHSA-N 1 1 396.491 3.962 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CC[N@@H+](C)C1CCCCC1 ZINC001472671526 1073608433 /nfs/dbraw/zinc/60/84/33/1073608433.db2.gz OIUSNYNDZXHXCY-UHFFFAOYSA-N 1 1 383.876 3.736 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc(OC)c1 ZINC001472723424 1073637207 /nfs/dbraw/zinc/63/72/07/1073637207.db2.gz GHNQHUXQBYLUFL-AWEZNQCLSA-N 1 1 391.855 3.952 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc(OC)c1 ZINC001472723424 1073637210 /nfs/dbraw/zinc/63/72/10/1073637210.db2.gz GHNQHUXQBYLUFL-AWEZNQCLSA-N 1 1 391.855 3.952 20 5 GHBDMO C[C@H]1[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001472799164 1073670932 /nfs/dbraw/zinc/67/09/32/1073670932.db2.gz LDDBIYSPLIQVFK-KBXCAEBGSA-N 1 1 380.423 3.779 20 5 GHBDMO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC001473205630 1073858311 /nfs/dbraw/zinc/85/83/11/1073858311.db2.gz LJCUZJWGYUJWLY-CXAGYDPISA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC001473205630 1073858316 /nfs/dbraw/zinc/85/83/16/1073858316.db2.gz LJCUZJWGYUJWLY-CXAGYDPISA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001473213287 1073865139 /nfs/dbraw/zinc/86/51/39/1073865139.db2.gz SPVLCPFCRGRYEM-UGKGYDQZSA-N 1 1 384.476 3.679 20 5 GHBDMO C[C@@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001479296447 1079174319 /nfs/dbraw/zinc/17/43/19/1079174319.db2.gz AKOFKNOYEZVAME-RCCFBDPRSA-N 1 1 388.512 3.952 20 5 GHBDMO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001473283381 1073905516 /nfs/dbraw/zinc/90/55/16/1073905516.db2.gz PRQQYIBHRKDICD-ZWKOTPCHSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1Cc1ccccc1 ZINC001473283381 1073905521 /nfs/dbraw/zinc/90/55/21/1073905521.db2.gz PRQQYIBHRKDICD-ZWKOTPCHSA-N 1 1 396.491 3.518 20 5 GHBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1Cc1ccccc1 ZINC001473283381 1073905522 /nfs/dbraw/zinc/90/55/22/1073905522.db2.gz PRQQYIBHRKDICD-ZWKOTPCHSA-N 1 1 396.491 3.518 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001473507203 1073993913 /nfs/dbraw/zinc/99/39/13/1073993913.db2.gz YPLBJPGVAMJZAW-UHFFFAOYSA-N 1 1 392.799 3.620 20 5 GHBDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001473615538 1074050021 /nfs/dbraw/zinc/05/00/21/1074050021.db2.gz DLQOFDYSAGQNPR-FQEVSTJZSA-N 1 1 389.402 3.865 20 5 GHBDMO COc1ccc([C@H]2CC[N@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)cc1F ZINC001473688918 1074087608 /nfs/dbraw/zinc/08/76/08/1074087608.db2.gz MMWHLYLWGGMASG-ZDUSSCGKSA-N 1 1 378.375 3.880 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)cc1F ZINC001473688918 1074087615 /nfs/dbraw/zinc/08/76/15/1074087615.db2.gz MMWHLYLWGGMASG-ZDUSSCGKSA-N 1 1 378.375 3.880 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001473773636 1074135808 /nfs/dbraw/zinc/13/58/08/1074135808.db2.gz XEGUVPITEKVYEV-CABCVRRESA-N 1 1 385.468 3.648 20 5 GHBDMO CC(C)c1cc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001473773636 1074135812 /nfs/dbraw/zinc/13/58/12/1074135812.db2.gz XEGUVPITEKVYEV-CABCVRRESA-N 1 1 385.468 3.648 20 5 GHBDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cc(F)ccc1OC ZINC001473813780 1074156777 /nfs/dbraw/zinc/15/67/77/1074156777.db2.gz RKCBESYXCPTUSP-IUODEOHRSA-N 1 1 375.400 3.810 20 5 GHBDMO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(F)ccc1OC ZINC001473814059 1074156823 /nfs/dbraw/zinc/15/68/23/1074156823.db2.gz XHJRXQOXSMBSIW-ZWKOTPCHSA-N 1 1 387.411 3.589 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CC[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001473864680 1074180638 /nfs/dbraw/zinc/18/06/38/1074180638.db2.gz BSBWNPSXSRFWLZ-IFXJQAMLSA-N 1 1 379.432 3.613 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CC[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001473864680 1074180641 /nfs/dbraw/zinc/18/06/41/1074180641.db2.gz BSBWNPSXSRFWLZ-IFXJQAMLSA-N 1 1 379.432 3.613 20 5 GHBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1c1ccc(F)cc1 ZINC001474182051 1074285657 /nfs/dbraw/zinc/28/56/57/1074285657.db2.gz XWMKXKFBZUBKCO-IBGZPJMESA-N 1 1 395.390 3.889 20 5 GHBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001474369338 1074368117 /nfs/dbraw/zinc/36/81/17/1074368117.db2.gz GOKBZXHCTYIETF-AWEZNQCLSA-N 1 1 387.402 3.742 20 5 GHBDMO COC(=O)c1cnc([C@H]2CC[N@@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)s1 ZINC001474730752 1074536801 /nfs/dbraw/zinc/53/68/01/1074536801.db2.gz AQVIWWVPUTVFRP-NRUITVPNSA-N 1 1 387.461 3.731 20 5 GHBDMO Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164728515 720354706 /nfs/dbraw/zinc/35/47/06/720354706.db2.gz VYTZQSUTCFXIRU-RTWAWAEBSA-N 1 1 389.459 3.700 20 5 GHBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000511456664 837440308 /nfs/dbraw/zinc/44/03/08/837440308.db2.gz LUCATIONFCJUEN-KRWDZBQOSA-N 1 1 390.528 3.679 20 5 GHBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000180822668 837575014 /nfs/dbraw/zinc/57/50/14/837575014.db2.gz ZDWACWJVHOGZOB-AWEZNQCLSA-N 1 1 391.855 3.808 20 5 GHBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246845583 834444666 /nfs/dbraw/zinc/44/46/66/834444666.db2.gz BDOCQIIBXKXLPB-AZUAARDMSA-N 1 1 379.460 3.722 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000175278641 834495909 /nfs/dbraw/zinc/49/59/09/834495909.db2.gz HVLPXNQLQLDPMT-IBGZPJMESA-N 1 1 381.476 3.887 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000510067909 834816090 /nfs/dbraw/zinc/81/60/90/834816090.db2.gz BGPFWVTZYYPEJX-RDJZCZTQSA-N 1 1 385.439 3.764 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C)(CO)CC2)c([N+](=O)[O-])c1 ZINC000186966020 834870463 /nfs/dbraw/zinc/87/04/63/834870463.db2.gz LDNUSPBWLWOSTR-HXUWFJFHSA-N 1 1 397.475 3.677 20 5 GHBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cc2ccccc2o1 ZINC000472300369 834956188 /nfs/dbraw/zinc/95/61/88/834956188.db2.gz XMRABNWKJSALAS-UHFFFAOYSA-N 1 1 381.388 3.771 20 5 GHBDMO Cc1cc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000510103014 835233334 /nfs/dbraw/zinc/23/33/34/835233334.db2.gz YPOSHKFWQRFSSW-HKUYNNGSSA-N 1 1 381.476 3.934 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3Cc3cccc(F)c3)n2)c1 ZINC000052012072 844034817 /nfs/dbraw/zinc/03/48/17/844034817.db2.gz ZOMXXVLSGIXPRX-KRWDZBQOSA-N 1 1 382.395 3.991 20 5 GHBDMO COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612073317 835457307 /nfs/dbraw/zinc/45/73/07/835457307.db2.gz LAHJPRZCIRLNBZ-WMZOPIPTSA-N 1 1 386.448 3.570 20 5 GHBDMO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000509420036 835717675 /nfs/dbraw/zinc/71/76/75/835717675.db2.gz WTSVDBHCNACINA-OAHLLOKOSA-N 1 1 376.384 3.537 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[C@@H]1c1ccccc1 ZINC000179467263 835734021 /nfs/dbraw/zinc/73/40/21/835734021.db2.gz DJSHWPYPWKWRFF-CTNGQTDRSA-N 1 1 394.475 3.714 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000535615828 835780719 /nfs/dbraw/zinc/78/07/19/835780719.db2.gz GJROJQWZXWQBPV-JKSUJKDBSA-N 1 1 385.464 3.741 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000612181357 835817135 /nfs/dbraw/zinc/81/71/35/835817135.db2.gz CRRRNAOWWDPUBR-HZPDHXFCSA-N 1 1 388.773 3.872 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000179520008 835859946 /nfs/dbraw/zinc/85/99/46/835859946.db2.gz ZMMJVDZFMFEJDG-MRXNPFEDSA-N 1 1 375.469 3.816 20 5 GHBDMO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179713399 835954906 /nfs/dbraw/zinc/95/49/06/835954906.db2.gz OHCFXWVHUUWBMB-CQSZACIVSA-N 1 1 379.363 3.536 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000411172154 836077306 /nfs/dbraw/zinc/07/73/06/836077306.db2.gz KQTKDLXQSVDOLE-LBPRGKRZSA-N 1 1 393.390 3.903 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1Br ZINC001167101334 836078445 /nfs/dbraw/zinc/07/84/45/836078445.db2.gz VJTAZPUWZNAOCL-GFCCVEGCSA-N 1 1 377.242 3.527 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1Br ZINC001167101334 836078452 /nfs/dbraw/zinc/07/84/52/836078452.db2.gz VJTAZPUWZNAOCL-GFCCVEGCSA-N 1 1 377.242 3.527 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000411329865 836138682 /nfs/dbraw/zinc/13/86/82/836138682.db2.gz LAFYDKXZKXBZPN-AWEZNQCLSA-N 1 1 387.436 3.721 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000043148079 836281102 /nfs/dbraw/zinc/28/11/02/836281102.db2.gz DMTDWHYWMJVRLZ-UHFFFAOYSA-N 1 1 398.463 3.652 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065957216 836356318 /nfs/dbraw/zinc/35/63/18/836356318.db2.gz GCXFXATWYJPDDH-MRXNPFEDSA-N 1 1 382.464 3.523 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000411809044 836360191 /nfs/dbraw/zinc/36/01/91/836360191.db2.gz SVRQBTCWVPDGSI-RYUDHWBXSA-N 1 1 389.374 3.595 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c2c(c1)COCO2 ZINC000411995190 836487559 /nfs/dbraw/zinc/48/75/59/836487559.db2.gz CHUQIKAMOXOKGG-OAQYLSRUSA-N 1 1 396.443 3.815 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c2c(c1)COCO2 ZINC000411995190 836487565 /nfs/dbraw/zinc/48/75/65/836487565.db2.gz CHUQIKAMOXOKGG-OAQYLSRUSA-N 1 1 396.443 3.815 20 5 GHBDMO COc1cc(C[N@H+](CCc2ccccn2)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000430342467 836732392 /nfs/dbraw/zinc/73/23/92/836732392.db2.gz XHIBUMUTYQWVMG-UHFFFAOYSA-N 1 1 378.432 3.638 20 5 GHBDMO COc1cc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000430342467 836732401 /nfs/dbraw/zinc/73/24/01/836732401.db2.gz XHIBUMUTYQWVMG-UHFFFAOYSA-N 1 1 378.432 3.638 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496769 844205914 /nfs/dbraw/zinc/20/59/14/844205914.db2.gz ILOVTTPFHJNMJE-QHCPKHFHSA-N 1 1 393.487 3.652 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000175634642 836846285 /nfs/dbraw/zinc/84/62/85/836846285.db2.gz GXZHRSBPVSEOAX-XLIONFOSSA-N 1 1 396.491 3.789 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247163079 837012032 /nfs/dbraw/zinc/01/20/32/837012032.db2.gz AMLCLAYEKDGOMH-GTNSWQLSSA-N 1 1 395.431 3.747 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000414335523 837204911 /nfs/dbraw/zinc/20/49/11/837204911.db2.gz OIRJSOGOBOYSFK-FGTMMUONSA-N 1 1 386.496 3.990 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000247216038 837305679 /nfs/dbraw/zinc/30/56/79/837305679.db2.gz CJZBBIIKXFOFEU-SUMWQHHRSA-N 1 1 388.493 3.521 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000247220865 837320555 /nfs/dbraw/zinc/32/05/55/837320555.db2.gz WRBURLKVSMYIBS-HUUCEWRRSA-N 1 1 379.888 3.975 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109765003 837838798 /nfs/dbraw/zinc/83/87/98/837838798.db2.gz KWNBJVLIZOVZHX-CQSZACIVSA-N 1 1 393.447 3.678 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177498478 837965108 /nfs/dbraw/zinc/96/51/08/837965108.db2.gz NWTOIUWXNGKBGB-HNNXBMFYSA-N 1 1 375.469 3.593 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(CC(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1F ZINC000412301716 838242904 /nfs/dbraw/zinc/24/29/04/838242904.db2.gz BUXSZQGJGVBNRG-UHFFFAOYSA-N 1 1 395.818 3.639 20 5 GHBDMO CC[C@](C)(O)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000189731401 838390284 /nfs/dbraw/zinc/39/02/84/838390284.db2.gz FRAIUAPTJZBCSV-NRFANRHFSA-N 1 1 385.464 3.505 20 5 GHBDMO CC[C@@](C)(O)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000189736772 838391992 /nfs/dbraw/zinc/39/19/92/838391992.db2.gz DUSDVWJAJGFPGU-OAQYLSRUSA-N 1 1 396.447 3.808 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000189736772 838391997 /nfs/dbraw/zinc/39/19/97/838391997.db2.gz DUSDVWJAJGFPGU-OAQYLSRUSA-N 1 1 396.447 3.808 20 5 GHBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000414551658 838621528 /nfs/dbraw/zinc/62/15/28/838621528.db2.gz PBAJBFVTQXXGCI-QGZVFWFLSA-N 1 1 383.448 3.832 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175894292 838874212 /nfs/dbraw/zinc/87/42/12/838874212.db2.gz FIOOICLDZOIZSZ-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000121179524 838997840 /nfs/dbraw/zinc/99/78/40/838997840.db2.gz VDJXXWHBDJVLFC-HKUYNNGSSA-N 1 1 395.459 3.750 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC([C@@H](O)c4ccccc4)CC3)n2)cc1 ZINC000052490349 844422608 /nfs/dbraw/zinc/42/26/08/844422608.db2.gz SYFCEUPWXSTBOR-FQEVSTJZSA-N 1 1 394.431 3.590 20 5 GHBDMO CCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000610436191 839383106 /nfs/dbraw/zinc/38/31/06/839383106.db2.gz VZLPEEMZTQZEOV-UHFFFAOYSA-N 1 1 381.476 3.814 20 5 GHBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275924552 839887201 /nfs/dbraw/zinc/88/72/01/839887201.db2.gz GXGSDCNWDVDUEP-IIBYNOLFSA-N 1 1 375.472 3.650 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000517493434 839947642 /nfs/dbraw/zinc/94/76/42/839947642.db2.gz DUBIDZYOGJIGRT-HNNXBMFYSA-N 1 1 391.537 3.947 20 5 GHBDMO Cc1ccccc1OCCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000053740493 840414857 /nfs/dbraw/zinc/41/48/57/840414857.db2.gz BSXNHTAFJBVMGK-UHFFFAOYSA-N 1 1 382.420 3.854 20 5 GHBDMO Cc1ccccc1OCCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000053740493 840414865 /nfs/dbraw/zinc/41/48/65/840414865.db2.gz BSXNHTAFJBVMGK-UHFFFAOYSA-N 1 1 382.420 3.854 20 5 GHBDMO CC[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000429837607 844560939 /nfs/dbraw/zinc/56/09/39/844560939.db2.gz LTBHQUHAYAPRFY-LJQANCHMSA-N 1 1 395.503 3.826 20 5 GHBDMO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349837 840748050 /nfs/dbraw/zinc/74/80/50/840748050.db2.gz MVFLBGRWKLOBID-OAQYLSRUSA-N 1 1 398.507 3.878 20 5 GHBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000511645312 841306484 /nfs/dbraw/zinc/30/64/84/841306484.db2.gz JBDPCLIDMJMGJZ-WMZOPIPTSA-N 1 1 396.491 3.667 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000107586376 841396624 /nfs/dbraw/zinc/39/66/24/841396624.db2.gz MSGLWMLCBQDLCU-MRXNPFEDSA-N 1 1 397.475 3.908 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000107682150 841427730 /nfs/dbraw/zinc/42/77/30/841427730.db2.gz XIVUFVIIFGWMJO-OWCLPIDISA-N 1 1 379.526 3.560 20 5 GHBDMO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487352649 841667795 /nfs/dbraw/zinc/66/77/95/841667795.db2.gz JCKZPJPIJSUBMP-ZBFHGGJFSA-N 1 1 387.867 3.889 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000066885358 841740326 /nfs/dbraw/zinc/74/03/26/841740326.db2.gz RONIKLZCGQAJEH-MRXNPFEDSA-N 1 1 385.464 3.803 20 5 GHBDMO CNC(=O)c1ccc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000053562065 841779810 /nfs/dbraw/zinc/77/98/10/841779810.db2.gz KHVXJNMDCGXLAM-MRXNPFEDSA-N 1 1 396.491 3.798 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000045789839 841788644 /nfs/dbraw/zinc/78/86/44/841788644.db2.gz MHYMSWVEMBGAFV-UHFFFAOYSA-N 1 1 384.480 3.777 20 5 GHBDMO Cc1cc(NCc2n[nH]c(COc3ccccc3)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302232000 861246334 /nfs/dbraw/zinc/24/63/34/861246334.db2.gz CIIHBBXPAMLVHV-UHFFFAOYSA-N 1 1 390.403 3.761 20 5 GHBDMO C[C@@H](OC[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000046836076 841879757 /nfs/dbraw/zinc/87/97/57/841879757.db2.gz PEYBCYNZSHCAAE-RDTXWAMCSA-N 1 1 378.856 3.819 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000603834213 861248317 /nfs/dbraw/zinc/24/83/17/861248317.db2.gz LUMACNWJKSLTDP-BBRMVZONSA-N 1 1 394.435 3.684 20 5 GHBDMO Cc1nccc([C@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000603834213 861248328 /nfs/dbraw/zinc/24/83/28/861248328.db2.gz LUMACNWJKSLTDP-BBRMVZONSA-N 1 1 394.435 3.684 20 5 GHBDMO CC(C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1nc2ccccc2s1 ZINC000599532950 861296137 /nfs/dbraw/zinc/29/61/37/861296137.db2.gz DUTLGFMLMIDEGJ-UHFFFAOYSA-N 1 1 396.472 3.619 20 5 GHBDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000603867964 861299199 /nfs/dbraw/zinc/29/91/99/861299199.db2.gz HAEHAINSZLEFNC-QGZVFWFLSA-N 1 1 394.431 3.861 20 5 GHBDMO O=C(C[N@@H+]1CC[C@H](COc2ccccc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780372212 842513416 /nfs/dbraw/zinc/51/34/16/842513416.db2.gz DOKSUNURCUXDNG-AWEZNQCLSA-N 1 1 389.839 3.588 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](COc2ccccc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780372212 842513426 /nfs/dbraw/zinc/51/34/26/842513426.db2.gz DOKSUNURCUXDNG-AWEZNQCLSA-N 1 1 389.839 3.588 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000512111286 842531700 /nfs/dbraw/zinc/53/17/00/842531700.db2.gz GHSCHRFKYYVXSG-XLIONFOSSA-N 1 1 396.491 3.614 20 5 GHBDMO COc1cc(C[NH2+]Cc2cccnc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101588575 842581720 /nfs/dbraw/zinc/58/17/20/842581720.db2.gz GLXYZRBOHGMURA-UHFFFAOYSA-N 1 1 379.416 3.867 20 5 GHBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000255383959 842593471 /nfs/dbraw/zinc/59/34/71/842593471.db2.gz SZIRHDRJQBZEFN-CLFYSBASSA-N 1 1 375.469 3.939 20 5 GHBDMO C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+]1CCC[C@@H](C)C1 ZINC000581923230 842698800 /nfs/dbraw/zinc/69/88/00/842698800.db2.gz IWHFPDPDOFBWAL-CVEARBPZSA-N 1 1 377.488 3.532 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000247430598 842708870 /nfs/dbraw/zinc/70/88/70/842708870.db2.gz LYRBRUJTBDQUTM-QAPCUYQASA-N 1 1 388.493 3.539 20 5 GHBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)cn1 ZINC000093869923 842810618 /nfs/dbraw/zinc/81/06/18/842810618.db2.gz DPQOMVFEKFBQBE-AWEZNQCLSA-N 1 1 383.477 3.516 20 5 GHBDMO C[S@@](=O)c1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000610574786 842865635 /nfs/dbraw/zinc/86/56/35/842865635.db2.gz GPNXNMBQMWJWDX-AREMUKBSSA-N 1 1 387.486 3.746 20 5 GHBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000647763589 843273164 /nfs/dbraw/zinc/27/31/64/843273164.db2.gz FKOCAPUMWHMHQH-KRWDZBQOSA-N 1 1 389.499 3.713 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(CC)CC ZINC001167818909 843668987 /nfs/dbraw/zinc/66/89/87/843668987.db2.gz JMJKNDNWQNPCFW-QZTJIDSGSA-N 1 1 395.475 3.978 20 5 GHBDMO CC1(C)C[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279593 843951022 /nfs/dbraw/zinc/95/10/22/843951022.db2.gz UDIGWINWRYTRDQ-FYYLOGMGSA-N 1 1 395.503 3.544 20 5 GHBDMO CC1(C)C[C@@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279593 843951029 /nfs/dbraw/zinc/95/10/29/843951029.db2.gz UDIGWINWRYTRDQ-FYYLOGMGSA-N 1 1 395.503 3.544 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000610860651 844703494 /nfs/dbraw/zinc/70/34/94/844703494.db2.gz YWJFAUNKPBUSEZ-QGZVFWFLSA-N 1 1 397.500 3.960 20 5 GHBDMO COC(=O)c1cc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc(C)c1[N+](=O)[O-] ZINC000432945186 844703577 /nfs/dbraw/zinc/70/35/77/844703577.db2.gz QJSWWSCNLNIEJT-UHFFFAOYSA-N 1 1 398.463 3.607 20 5 GHBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000151158085 844999596 /nfs/dbraw/zinc/99/95/96/844999596.db2.gz ULDLWORQSFMCTC-MRXNPFEDSA-N 1 1 399.447 3.562 20 5 GHBDMO CO[C@H](C)C[N@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000513227724 845093141 /nfs/dbraw/zinc/09/31/41/845093141.db2.gz FLUNHBDIYDECAG-FZKQIMNGSA-N 1 1 391.855 3.895 20 5 GHBDMO CO[C@H](C)C[N@@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000513227724 845093149 /nfs/dbraw/zinc/09/31/49/845093149.db2.gz FLUNHBDIYDECAG-FZKQIMNGSA-N 1 1 391.855 3.895 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000433834045 845455507 /nfs/dbraw/zinc/45/55/07/845455507.db2.gz QSQLZIAEMVXAFK-OAHLLOKOSA-N 1 1 399.495 3.603 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000513516513 845564708 /nfs/dbraw/zinc/56/47/08/845564708.db2.gz XPBIYTBKSQOUCB-OAQYLSRUSA-N 1 1 380.448 3.725 20 5 GHBDMO COc1ccc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000502535375 846172148 /nfs/dbraw/zinc/17/21/48/846172148.db2.gz YEOQBGBRUODJHF-UHFFFAOYSA-N 1 1 385.247 3.905 20 5 GHBDMO COc1ccc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000502535375 846172153 /nfs/dbraw/zinc/17/21/53/846172153.db2.gz YEOQBGBRUODJHF-UHFFFAOYSA-N 1 1 385.247 3.905 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@@]23CCOC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000421393892 846209802 /nfs/dbraw/zinc/20/98/02/846209802.db2.gz FJOBRIBKFKSNQW-NRFANRHFSA-N 1 1 384.432 3.547 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@]23CCOC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000421393892 846209813 /nfs/dbraw/zinc/20/98/13/846209813.db2.gz FJOBRIBKFKSNQW-NRFANRHFSA-N 1 1 384.432 3.547 20 5 GHBDMO COc1ccc(C(C)(C)C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000513683197 846238440 /nfs/dbraw/zinc/23/84/40/846238440.db2.gz HUUDAKVZTYUOMA-FQEVSTJZSA-N 1 1 394.475 3.994 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c(C)cc3C)CC2)cc1 ZINC000421745876 846538403 /nfs/dbraw/zinc/53/84/03/846538403.db2.gz YVTXNNAXZMRCFJ-UHFFFAOYSA-N 1 1 397.475 3.568 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c(C)cc3C)CC2)cc1 ZINC000421745876 846538413 /nfs/dbraw/zinc/53/84/13/846538413.db2.gz YVTXNNAXZMRCFJ-UHFFFAOYSA-N 1 1 397.475 3.568 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000501592653 847046132 /nfs/dbraw/zinc/04/61/32/847046132.db2.gz LIKLQJWJLCFGQY-HZPDHXFCSA-N 1 1 392.459 3.811 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413264163 847069995 /nfs/dbraw/zinc/06/99/95/847069995.db2.gz JIJHVIOLDRURAF-UHFFFAOYSA-N 1 1 382.342 3.760 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000511119533 847187189 /nfs/dbraw/zinc/18/71/89/847187189.db2.gz FRGZYVUNAGBTDS-UHFFFAOYSA-N 1 1 391.855 3.760 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000303548266 861777311 /nfs/dbraw/zinc/77/73/11/861777311.db2.gz VHESLWDXGORBIK-MRXNPFEDSA-N 1 1 383.448 3.713 20 5 GHBDMO C[C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000502079733 847447208 /nfs/dbraw/zinc/44/72/08/847447208.db2.gz RZSLFLGSCFTGMY-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C2CC2)cc1 ZINC000420913163 847532055 /nfs/dbraw/zinc/53/20/55/847532055.db2.gz AKINWTVJFLVJKS-UHFFFAOYSA-N 1 1 381.476 3.592 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCC[C@@H]3OCc3ccccc3)n2)cc1 ZINC000503526726 847759564 /nfs/dbraw/zinc/75/95/64/847759564.db2.gz RSHQTASLCYFYBM-MOPGFXCFSA-N 1 1 394.431 3.872 20 5 GHBDMO O=[N+]([O-])c1ccc(OCc2ccc(C[NH+]3CCOCC3)cc2)c2cccnc21 ZINC000421220580 847875887 /nfs/dbraw/zinc/87/58/87/847875887.db2.gz WRJHYWBQDXJMEX-UHFFFAOYSA-N 1 1 379.416 3.554 20 5 GHBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000479962469 847982825 /nfs/dbraw/zinc/98/28/25/847982825.db2.gz SJHVWOAWRHDWHH-GOSISDBHSA-N 1 1 396.491 3.621 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CCO)C2)cc1OC ZINC000611660876 848198992 /nfs/dbraw/zinc/19/89/92/848198992.db2.gz QRTBPJFNXSFXDH-JKSUJKDBSA-N 1 1 380.485 3.623 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]1c1cccs1 ZINC000611709363 848218225 /nfs/dbraw/zinc/21/82/25/848218225.db2.gz TXCVEUNPJDKERX-SCLBCKFNSA-N 1 1 383.477 3.516 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nnc3ccc(C(F)(F)F)cn31)CCC2 ZINC000278173392 849490588 /nfs/dbraw/zinc/49/05/88/849490588.db2.gz CPNWQIAXFQKXPH-HNNXBMFYSA-N 1 1 391.353 3.824 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1)C(C)C ZINC000110124308 849514183 /nfs/dbraw/zinc/51/41/83/849514183.db2.gz VSPICSRGDUDVKQ-UHFFFAOYSA-N 1 1 384.480 3.667 20 5 GHBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132353757 862031565 /nfs/dbraw/zinc/03/15/65/862031565.db2.gz NGUSIWMTPVDMAS-CTNGQTDRSA-N 1 1 379.460 3.722 20 5 GHBDMO COc1ccc(CN(C)[C@@H]2CCC[NH2+]CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435433168 850491053 /nfs/dbraw/zinc/49/10/53/850491053.db2.gz QNOKTGIRNLGXDB-LJQANCHMSA-N 1 1 399.491 3.756 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425011166 850861988 /nfs/dbraw/zinc/86/19/88/850861988.db2.gz XDZQXQPVXYNHAG-OXJNMPFZSA-N 1 1 397.500 3.663 20 5 GHBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437995175 850867673 /nfs/dbraw/zinc/86/76/73/850867673.db2.gz CEHGTTVJDDYWCL-BBWFWOEESA-N 1 1 388.512 3.635 20 5 GHBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436284274 851407528 /nfs/dbraw/zinc/40/75/28/851407528.db2.gz MQVOEQQPFJUOQD-OXJNMPFZSA-N 1 1 388.512 3.699 20 5 GHBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000436284274 851407537 /nfs/dbraw/zinc/40/75/37/851407537.db2.gz MQVOEQQPFJUOQD-OXJNMPFZSA-N 1 1 388.512 3.699 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000436271692 851414773 /nfs/dbraw/zinc/41/47/73/851414773.db2.gz REWXKGCTYCZKEB-UHFFFAOYSA-N 1 1 380.370 3.721 20 5 GHBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCN2C2CCCCC2)n1 ZINC000436287978 851421943 /nfs/dbraw/zinc/42/19/43/851421943.db2.gz DKEBMRHDZIOESR-GBESFXJTSA-N 1 1 375.517 3.662 20 5 GHBDMO C[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000436308823 851468182 /nfs/dbraw/zinc/46/81/82/851468182.db2.gz NOPAWFRQSLCKLX-SNVBAGLBSA-N 1 1 386.399 3.929 20 5 GHBDMO C[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000436308823 851468184 /nfs/dbraw/zinc/46/81/84/851468184.db2.gz NOPAWFRQSLCKLX-SNVBAGLBSA-N 1 1 386.399 3.929 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000488470906 851542181 /nfs/dbraw/zinc/54/21/81/851542181.db2.gz SBSPUYHVVUDTOR-OXJNMPFZSA-N 1 1 399.516 3.714 20 5 GHBDMO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000101593630 851733526 /nfs/dbraw/zinc/73/35/26/851733526.db2.gz ZTXZEDMHVSIOJV-IBGZPJMESA-N 1 1 397.475 3.837 20 5 GHBDMO COc1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000184252437 851826008 /nfs/dbraw/zinc/82/60/08/851826008.db2.gz MZFOLZUBJKDGSU-UHFFFAOYSA-N 1 1 388.439 3.966 20 5 GHBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000516080548 852127252 /nfs/dbraw/zinc/12/72/52/852127252.db2.gz KWOVXKBRSCUBRB-LIRRHRJNSA-N 1 1 384.411 3.614 20 5 GHBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000517626248 852168238 /nfs/dbraw/zinc/16/82/38/852168238.db2.gz YKXTZOAFIDOTHA-FUHWJXTLSA-N 1 1 397.258 3.871 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000489441580 852323027 /nfs/dbraw/zinc/32/30/27/852323027.db2.gz TWSTVTCNRQTQPZ-OAHLLOKOSA-N 1 1 388.443 3.535 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000150804599 852408705 /nfs/dbraw/zinc/40/87/05/852408705.db2.gz NSVNUOINKIAATD-DOTOQJQBSA-N 1 1 377.485 3.763 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000489578638 852450344 /nfs/dbraw/zinc/45/03/44/852450344.db2.gz BJYRCRBLKOUPEN-WMZOPIPTSA-N 1 1 396.491 3.792 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000481834864 862365927 /nfs/dbraw/zinc/36/59/27/862365927.db2.gz YWVRAARSDSEGOX-UHFFFAOYSA-N 1 1 375.860 3.556 20 5 GHBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000507185039 852634369 /nfs/dbraw/zinc/63/43/69/852634369.db2.gz YGWDULRBXCNFFS-UHFFFAOYSA-N 1 1 385.439 3.936 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000490079481 852751506 /nfs/dbraw/zinc/75/15/06/852751506.db2.gz KPRQHFLZHWNTBC-RDJZCZTQSA-N 1 1 383.448 3.728 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000490079481 852751511 /nfs/dbraw/zinc/75/15/11/852751511.db2.gz KPRQHFLZHWNTBC-RDJZCZTQSA-N 1 1 383.448 3.728 20 5 GHBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1OC(F)F ZINC000509584613 853013135 /nfs/dbraw/zinc/01/31/35/853013135.db2.gz RYDMDVWECZIZCC-NSHDSACASA-N 1 1 380.347 3.914 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C2CC2)cc1 ZINC000490805448 853268345 /nfs/dbraw/zinc/26/83/45/853268345.db2.gz YDYWVVHIONZENR-SFHVURJKSA-N 1 1 376.840 3.653 20 5 GHBDMO Cc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+]2CCOCC2)c1 ZINC000029626652 853294319 /nfs/dbraw/zinc/29/43/19/853294319.db2.gz YJPLEELIQPTITR-JOCHJYFZSA-N 1 1 392.459 3.937 20 5 GHBDMO C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000437586882 853302942 /nfs/dbraw/zinc/30/29/42/853302942.db2.gz FFQKZUAGOAKXBN-UWJYYQICSA-N 1 1 399.516 3.925 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054719905 853507568 /nfs/dbraw/zinc/50/75/68/853507568.db2.gz WMJTYTRQAUNHTI-APWZRJJASA-N 1 1 382.464 3.572 20 5 GHBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000054775684 853524528 /nfs/dbraw/zinc/52/45/28/853524528.db2.gz MFTJBPHWTPERCI-GOSISDBHSA-N 1 1 391.830 3.954 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000437861547 853613419 /nfs/dbraw/zinc/61/34/19/853613419.db2.gz UZUOSWLJZXDVRG-HNNXBMFYSA-N 1 1 397.422 3.723 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)CCOc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000441207275 853999939 /nfs/dbraw/zinc/99/99/39/853999939.db2.gz WZKANFSCWFLACW-UHFFFAOYSA-N 1 1 380.828 3.646 20 5 GHBDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000441325188 854110710 /nfs/dbraw/zinc/11/07/10/854110710.db2.gz BSXQQKARJDUQPN-BAGYTPMASA-N 1 1 384.476 3.911 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)F)ccc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000589108072 854690209 /nfs/dbraw/zinc/69/02/09/854690209.db2.gz LEKZSDBCSSBDEU-UHFFFAOYSA-N 1 1 377.391 3.977 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248372708 854703497 /nfs/dbraw/zinc/70/34/97/854703497.db2.gz BZCZTIRZLKCAPO-JSGCOSHPSA-N 1 1 385.917 3.529 20 5 GHBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3cc(C)ccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000482021281 862615029 /nfs/dbraw/zinc/61/50/29/862615029.db2.gz SMGKLMFBVZKNGR-TZIWHRDSSA-N 1 1 395.459 3.620 20 5 GHBDMO CCOc1cc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301454279 854882533 /nfs/dbraw/zinc/88/25/33/854882533.db2.gz VOKWYBKQKJNSHR-UHFFFAOYSA-N 1 1 398.463 3.509 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000589494502 854907213 /nfs/dbraw/zinc/90/72/13/854907213.db2.gz UDMNLATWDQULIH-UHFFFAOYSA-N 1 1 392.415 3.547 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000589494502 854907216 /nfs/dbraw/zinc/90/72/16/854907216.db2.gz UDMNLATWDQULIH-UHFFFAOYSA-N 1 1 392.415 3.547 20 5 GHBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301478371 855118475 /nfs/dbraw/zinc/11/84/75/855118475.db2.gz QDDBXSSXDBZXJF-CYBMUJFWSA-N 1 1 380.370 3.892 20 5 GHBDMO CC(C)NC(=O)c1ccc(NCCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000589804278 855149686 /nfs/dbraw/zinc/14/96/86/855149686.db2.gz QJLYVSZNOKDAET-UHFFFAOYSA-N 1 1 384.480 3.667 20 5 GHBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015477222 855250360 /nfs/dbraw/zinc/25/03/60/855250360.db2.gz PNZFUBPOGMMRBU-KRWDZBQOSA-N 1 1 389.477 3.623 20 5 GHBDMO O=[N+]([O-])c1sccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000590145583 855297124 /nfs/dbraw/zinc/29/71/24/855297124.db2.gz QLBBOZADUDKWEP-KRWDZBQOSA-N 1 1 387.505 3.997 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCO)C3CC3)o2)c(Br)c1 ZINC000153611880 855313066 /nfs/dbraw/zinc/31/30/66/855313066.db2.gz JHOYPTDDNQWISZ-UHFFFAOYSA-N 1 1 381.226 3.574 20 5 GHBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000590174929 855324041 /nfs/dbraw/zinc/32/40/41/855324041.db2.gz KCZKQQZJCIUBAW-SFHVURJKSA-N 1 1 391.349 3.709 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590422662 855401483 /nfs/dbraw/zinc/40/14/83/855401483.db2.gz DAZPLQNBOUGIQP-FXAWDEMLSA-N 1 1 381.476 3.727 20 5 GHBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)[C@@H]2C1 ZINC000590447537 855425485 /nfs/dbraw/zinc/42/54/85/855425485.db2.gz XVVPZUQGCSVRNN-CRAIPNDOSA-N 1 1 389.521 3.653 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000184694543 855592441 /nfs/dbraw/zinc/59/24/41/855592441.db2.gz DPRZQDUEAGCTSZ-HKUYNNGSSA-N 1 1 375.513 3.792 20 5 GHBDMO C[NH+](C)[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000427597463 855683052 /nfs/dbraw/zinc/68/30/52/855683052.db2.gz VBYHHEQLCPCANN-INIZCTEOSA-N 1 1 381.354 3.533 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591034916 855730532 /nfs/dbraw/zinc/73/05/32/855730532.db2.gz BQCIVFUWWFFCMH-HBXLWWENSA-N 1 1 389.496 3.575 20 5 GHBDMO COc1ccc(NC(=O)C[NH+]2CCC(c3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000543553309 862719477 /nfs/dbraw/zinc/71/94/77/862719477.db2.gz LKLRTJFNWBZUFJ-UHFFFAOYSA-N 1 1 383.448 3.730 20 5 GHBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000159506903 862780436 /nfs/dbraw/zinc/78/04/36/862780436.db2.gz ZXSGWUYYXAVODF-NWDGAFQWSA-N 1 1 377.828 3.594 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000462863508 856373452 /nfs/dbraw/zinc/37/34/52/856373452.db2.gz RWKVBINCQYSPJI-MRXNPFEDSA-N 1 1 391.418 3.812 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000462863508 856373458 /nfs/dbraw/zinc/37/34/58/856373458.db2.gz RWKVBINCQYSPJI-MRXNPFEDSA-N 1 1 391.418 3.812 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccnc3)CC2)nc1-c1ccc(F)cc1 ZINC000485400444 856447365 /nfs/dbraw/zinc/44/73/65/856447365.db2.gz DJMJANFTZYHCQW-UHFFFAOYSA-N 1 1 393.422 3.513 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323685607 856476722 /nfs/dbraw/zinc/47/67/22/856476722.db2.gz BRXYHHCKHRHJEC-HNNXBMFYSA-N 1 1 387.867 3.842 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000482209437 862810702 /nfs/dbraw/zinc/81/07/02/862810702.db2.gz LBNAEDUNPBJKPX-RZQQEMMASA-N 1 1 382.464 3.618 20 5 GHBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000172766256 856595335 /nfs/dbraw/zinc/59/53/35/856595335.db2.gz KGJCIVGETPCXEG-UHFFFAOYSA-N 1 1 394.431 3.531 20 5 GHBDMO CO[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132998 856678936 /nfs/dbraw/zinc/67/89/36/856678936.db2.gz QWQIRIAZYHGRFG-FKBYEOEOSA-N 1 1 398.503 3.958 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000508014299 856801321 /nfs/dbraw/zinc/80/13/21/856801321.db2.gz RKHHYKKOQSIUEJ-HXUWFJFHSA-N 1 1 394.475 3.606 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000508014299 856801327 /nfs/dbraw/zinc/80/13/27/856801327.db2.gz RKHHYKKOQSIUEJ-HXUWFJFHSA-N 1 1 394.475 3.606 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173280790 856830231 /nfs/dbraw/zinc/83/02/31/856830231.db2.gz WCMPTONPRVRTFK-CQSZACIVSA-N 1 1 385.386 3.608 20 5 GHBDMO COc1cccc([C@H]2[C@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000245534460 856937857 /nfs/dbraw/zinc/93/78/57/856937857.db2.gz DYUKCQLBCKWWIO-CTNGQTDRSA-N 1 1 395.459 3.620 20 5 GHBDMO CCC[C@@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000245653782 857057941 /nfs/dbraw/zinc/05/79/41/857057941.db2.gz CHHRIEIGCYCGNB-RTWAWAEBSA-N 1 1 396.491 3.998 20 5 GHBDMO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)[NH+]2CCCC2)c1 ZINC000120977692 857147792 /nfs/dbraw/zinc/14/77/92/857147792.db2.gz ITOICPLRLPWJOG-QGZVFWFLSA-N 1 1 389.477 3.540 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000173970493 857188259 /nfs/dbraw/zinc/18/82/59/857188259.db2.gz WCNRNEUUWYFFDI-HNNXBMFYSA-N 1 1 387.402 3.526 20 5 GHBDMO O=C(NC1CC1)c1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000059386685 862882456 /nfs/dbraw/zinc/88/24/56/862882456.db2.gz MLELVUAJUPMDEV-IBGZPJMESA-N 1 1 394.475 3.564 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2CCc3sccc3C2)cc1Cl ZINC000301695999 857216717 /nfs/dbraw/zinc/21/67/17/857216717.db2.gz YQVPQXBPNSALON-UHFFFAOYSA-N 1 1 395.868 3.567 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2CCc3sccc3C2)cc1Cl ZINC000301695999 857216723 /nfs/dbraw/zinc/21/67/23/857216723.db2.gz YQVPQXBPNSALON-UHFFFAOYSA-N 1 1 395.868 3.567 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000552921554 857233961 /nfs/dbraw/zinc/23/39/61/857233961.db2.gz UOLGYDHVXASGON-UHFFFAOYSA-N 1 1 388.427 3.734 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)o2)c1 ZINC000281203985 862888520 /nfs/dbraw/zinc/88/85/20/862888520.db2.gz AQKNNCNOECHRHW-OTWHNJEPSA-N 1 1 385.464 3.808 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000120990842 857253218 /nfs/dbraw/zinc/25/32/18/857253218.db2.gz PJIWRRRGHKMMCU-QGZVFWFLSA-N 1 1 397.475 3.558 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC[C@H]21 ZINC000301700582 857255537 /nfs/dbraw/zinc/25/55/37/857255537.db2.gz FNMKRKNMGDPNSA-RTBURBONSA-N 1 1 379.460 3.746 20 5 GHBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000246190794 857281902 /nfs/dbraw/zinc/28/19/02/857281902.db2.gz DBEJJCAZWZPVCU-JXFKEZNVSA-N 1 1 395.459 3.943 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000246604671 857415333 /nfs/dbraw/zinc/41/53/33/857415333.db2.gz UNVTUXFAUVTTQF-FZKQIMNGSA-N 1 1 389.477 3.755 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000246604671 857415344 /nfs/dbraw/zinc/41/53/44/857415344.db2.gz UNVTUXFAUVTTQF-FZKQIMNGSA-N 1 1 389.477 3.755 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000027109484 857444339 /nfs/dbraw/zinc/44/43/39/857444339.db2.gz RNBKJWLMQBXAIU-UHFFFAOYSA-N 1 1 375.450 3.658 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)cc(OC)c1 ZINC000301757286 857559008 /nfs/dbraw/zinc/55/90/08/857559008.db2.gz AAGNKZIJGJAKPC-CYBMUJFWSA-N 1 1 393.390 3.577 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)cc(OC)c1 ZINC000301757286 857559022 /nfs/dbraw/zinc/55/90/22/857559022.db2.gz AAGNKZIJGJAKPC-CYBMUJFWSA-N 1 1 393.390 3.577 20 5 GHBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058763260 857567049 /nfs/dbraw/zinc/56/70/49/857567049.db2.gz VQLYDTMKDFKINW-FQEVSTJZSA-N 1 1 396.491 3.568 20 5 GHBDMO CSc1cccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000486250425 857596737 /nfs/dbraw/zinc/59/67/37/857596737.db2.gz LKTQXRCCYBJQOY-OAHLLOKOSA-N 1 1 385.489 3.663 20 5 GHBDMO CSc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000486250425 857596740 /nfs/dbraw/zinc/59/67/40/857596740.db2.gz LKTQXRCCYBJQOY-OAHLLOKOSA-N 1 1 385.489 3.663 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000027284566 857765550 /nfs/dbraw/zinc/76/55/50/857765550.db2.gz CLMBWVONDMDFFO-UHFFFAOYSA-N 1 1 384.274 3.950 20 5 GHBDMO CCOc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000113898832 857775658 /nfs/dbraw/zinc/77/56/58/857775658.db2.gz LLUDHYMDYGIXIA-DLBZAZTESA-N 1 1 389.496 3.720 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000058975689 857840880 /nfs/dbraw/zinc/84/08/80/857840880.db2.gz IHPVGWYTOKLBRP-SFHVURJKSA-N 1 1 397.475 3.948 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](CCO)[C@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000114192871 857935403 /nfs/dbraw/zinc/93/54/03/857935403.db2.gz CBDSUPDSNHWMKT-NRFANRHFSA-N 1 1 397.475 3.604 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000114424946 858022437 /nfs/dbraw/zinc/02/24/37/858022437.db2.gz XVPDDKGIAKXIEB-HNNXBMFYSA-N 1 1 393.365 3.618 20 5 GHBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442884742 858205978 /nfs/dbraw/zinc/20/59/78/858205978.db2.gz UAEIKOBCZVSMPQ-LSDHHAIUSA-N 1 1 385.489 3.911 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442884742 858205985 /nfs/dbraw/zinc/20/59/85/858205985.db2.gz UAEIKOBCZVSMPQ-LSDHHAIUSA-N 1 1 385.489 3.911 20 5 GHBDMO Cc1cccc(N2CCC(Nc3c(Br)cncc3[N+](=O)[O-])CC2)[nH+]1 ZINC000301853189 858299519 /nfs/dbraw/zinc/29/95/19/858299519.db2.gz BFCXHDILJJWIQV-UHFFFAOYSA-N 1 1 392.257 3.537 20 5 GHBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000059375275 858341760 /nfs/dbraw/zinc/34/17/60/858341760.db2.gz UJQJYOYUHGTGAE-INIZCTEOSA-N 1 1 385.247 3.773 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000521930713 858455504 /nfs/dbraw/zinc/45/55/04/858455504.db2.gz ZYYWSIRVYWINLZ-MRXNPFEDSA-N 1 1 394.475 3.516 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000521930713 858455506 /nfs/dbraw/zinc/45/55/06/858455506.db2.gz ZYYWSIRVYWINLZ-MRXNPFEDSA-N 1 1 394.475 3.516 20 5 GHBDMO Cc1nn(C)c(NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301871683 858461374 /nfs/dbraw/zinc/46/13/74/858461374.db2.gz IXZAADHNBBGMMA-WBMJQRKESA-N 1 1 381.839 3.534 20 5 GHBDMO Cc1nn(C)c(NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000301871683 858461380 /nfs/dbraw/zinc/46/13/80/858461380.db2.gz IXZAADHNBBGMMA-WBMJQRKESA-N 1 1 381.839 3.534 20 5 GHBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000595364560 858518164 /nfs/dbraw/zinc/51/81/64/858518164.db2.gz HOXLAPJKZBUHNR-UHFFFAOYSA-N 1 1 381.411 3.899 20 5 GHBDMO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595367389 858518412 /nfs/dbraw/zinc/51/84/12/858518412.db2.gz ZOALBLKDGXUUFR-UHFFFAOYSA-N 1 1 375.375 3.724 20 5 GHBDMO CCN1CC[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000595473335 858541871 /nfs/dbraw/zinc/54/18/71/858541871.db2.gz ASSNEQXDBUSQPE-WMLDXEAASA-N 1 1 382.823 3.609 20 5 GHBDMO CC(C)(CO)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccnc1 ZINC000595502249 858546827 /nfs/dbraw/zinc/54/68/27/858546827.db2.gz XQXCWCRRFPLKTO-MRXNPFEDSA-N 1 1 383.370 3.858 20 5 GHBDMO C[C@H]1[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000575084826 858578614 /nfs/dbraw/zinc/57/86/14/858578614.db2.gz IEYITKUKWHNLHQ-JXFKEZNVSA-N 1 1 396.491 3.792 20 5 GHBDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593089555 858631141 /nfs/dbraw/zinc/63/11/41/858631141.db2.gz BRBRFUSJRIXYLW-MRXNPFEDSA-N 1 1 392.452 3.548 20 5 GHBDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593089555 858631150 /nfs/dbraw/zinc/63/11/50/858631150.db2.gz BRBRFUSJRIXYLW-MRXNPFEDSA-N 1 1 392.452 3.548 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482706988 858770361 /nfs/dbraw/zinc/77/03/61/858770361.db2.gz NQHWJWTWEBNIMY-MRXNPFEDSA-N 1 1 379.464 3.568 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(C(N)=O)c3)cc2)C1 ZINC000596078465 858774753 /nfs/dbraw/zinc/77/47/53/858774753.db2.gz QKGABOOZENFKHR-OAHLLOKOSA-N 1 1 382.464 3.538 20 5 GHBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116548337 859025450 /nfs/dbraw/zinc/02/54/50/859025450.db2.gz OFIWENBEFAXBQJ-UHFFFAOYSA-N 1 1 375.425 3.535 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2cncc(Br)c2)c([N+](=O)[O-])c1 ZINC001170335162 881381003 /nfs/dbraw/zinc/38/10/03/881381003.db2.gz LWXJSKQXTLZXMY-GFCCVEGCSA-N 1 1 394.269 3.824 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596828786 859112855 /nfs/dbraw/zinc/11/28/55/859112855.db2.gz HMSDFIZVMZYLEU-SFHVURJKSA-N 1 1 388.512 3.922 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3ccc4ncc([N+](=O)[O-])n4n3)cc2)C1 ZINC000301939254 859113783 /nfs/dbraw/zinc/11/37/83/859113783.db2.gz SYPFTVKAOJVQCP-IYBDPMFKSA-N 1 1 394.479 3.728 20 5 GHBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116728117 859121043 /nfs/dbraw/zinc/12/10/43/859121043.db2.gz KIBNSQKNAKWGAR-OAHLLOKOSA-N 1 1 397.903 3.645 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352911 881391120 /nfs/dbraw/zinc/39/11/20/881391120.db2.gz UDTMFWLXPNTFIC-AZUAARDMSA-N 1 1 397.519 3.988 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352911 881391196 /nfs/dbraw/zinc/39/11/96/881391196.db2.gz UDTMFWLXPNTFIC-AZUAARDMSA-N 1 1 397.519 3.988 20 5 GHBDMO C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248550956 859184584 /nfs/dbraw/zinc/18/45/84/859184584.db2.gz GMWKECZKVKTZGT-ZNMIVQPWSA-N 1 1 377.460 3.607 20 5 GHBDMO COc1ccc(C[C@H](C)N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170355289 881399599 /nfs/dbraw/zinc/39/95/99/881399599.db2.gz YZRLWJBDEWRBFY-KPDCDPCYSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170355289 881399617 /nfs/dbraw/zinc/39/96/17/881399617.db2.gz YZRLWJBDEWRBFY-KPDCDPCYSA-N 1 1 395.503 3.741 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170355289 881399634 /nfs/dbraw/zinc/39/96/34/881399634.db2.gz YZRLWJBDEWRBFY-KPDCDPCYSA-N 1 1 395.503 3.741 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000474143114 859256214 /nfs/dbraw/zinc/25/62/14/859256214.db2.gz RYPGYGVECLZUIS-JOCHJYFZSA-N 1 1 398.507 3.532 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000474143114 859256226 /nfs/dbraw/zinc/25/62/26/859256226.db2.gz RYPGYGVECLZUIS-JOCHJYFZSA-N 1 1 398.507 3.532 20 5 GHBDMO COCc1cc([N+](=O)[O-])ccc1NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000474143114 859256238 /nfs/dbraw/zinc/25/62/38/859256238.db2.gz RYPGYGVECLZUIS-JOCHJYFZSA-N 1 1 398.507 3.532 20 5 GHBDMO COc1ccc(C[C@H](C)N2CC[N@H+](C3CCCCC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170355368 881399845 /nfs/dbraw/zinc/39/98/45/881399845.db2.gz BIQNYIZSAMBZBI-IRXDYDNUSA-N 1 1 375.513 3.873 20 5 GHBDMO C[C@H](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+](C)Cc1ccccc1 ZINC000474152992 859332944 /nfs/dbraw/zinc/33/29/44/859332944.db2.gz JWAQDVRACRRXAR-OAHLLOKOSA-N 1 1 382.464 3.802 20 5 GHBDMO COc1cc(C[N@H+](C)CC2=CCCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597205511 859360168 /nfs/dbraw/zinc/36/01/68/859360168.db2.gz GOYRKUDGZWKVTN-UHFFFAOYSA-N 1 1 398.459 3.961 20 5 GHBDMO COc1cc(C[N@@H+](C)CC2=CCCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597205511 859360172 /nfs/dbraw/zinc/36/01/72/859360172.db2.gz GOYRKUDGZWKVTN-UHFFFAOYSA-N 1 1 398.459 3.961 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000494267777 881412307 /nfs/dbraw/zinc/41/23/07/881412307.db2.gz JNOCRONBQFPVHC-DTQAZKPQSA-N 1 1 383.448 3.967 20 5 GHBDMO COc1cc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597226724 859377020 /nfs/dbraw/zinc/37/70/20/859377020.db2.gz XESALDFCAUJQIY-NEPJUHHUSA-N 1 1 392.374 3.544 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597226724 859377028 /nfs/dbraw/zinc/37/70/28/859377028.db2.gz XESALDFCAUJQIY-NEPJUHHUSA-N 1 1 392.374 3.544 20 5 GHBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036684480 859518428 /nfs/dbraw/zinc/51/84/28/859518428.db2.gz AYMOWWQXBUWKQM-MRXNPFEDSA-N 1 1 377.828 3.798 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c([N+](=O)[O-])c1 ZINC001170345064 881448383 /nfs/dbraw/zinc/44/83/83/881448383.db2.gz GYHQXPSAQHXUIF-SUMWQHHRSA-N 1 1 392.402 3.966 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+](CC(N)=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000611254283 859665028 /nfs/dbraw/zinc/66/50/28/859665028.db2.gz PHNJGKCWWDFDJI-UHFFFAOYSA-N 1 1 382.464 3.593 20 5 GHBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000597606291 859677574 /nfs/dbraw/zinc/67/75/74/859677574.db2.gz WCCMLUROLHZTLP-LJQANCHMSA-N 1 1 396.491 3.763 20 5 GHBDMO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160870 859855284 /nfs/dbraw/zinc/85/52/84/859855284.db2.gz MQFIUKCNSKKSNX-ILWGZMRPSA-N 1 1 383.492 3.519 20 5 GHBDMO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160870 859855289 /nfs/dbraw/zinc/85/52/89/859855289.db2.gz MQFIUKCNSKKSNX-ILWGZMRPSA-N 1 1 383.492 3.519 20 5 GHBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602455056 860030293 /nfs/dbraw/zinc/03/02/93/860030293.db2.gz PVUCIBRGNJYWEG-CYBMUJFWSA-N 1 1 387.402 3.598 20 5 GHBDMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000154272460 860043613 /nfs/dbraw/zinc/04/36/13/860043613.db2.gz HMLJONGOPKJKMR-OAHLLOKOSA-N 1 1 384.432 3.700 20 5 GHBDMO Cc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000154305435 860058310 /nfs/dbraw/zinc/05/83/10/860058310.db2.gz HXTINETUFXXCII-PMACEKPBSA-N 1 1 389.883 3.718 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000602507910 860081061 /nfs/dbraw/zinc/08/10/61/860081061.db2.gz IYXVZSYENURREZ-UHFFFAOYSA-N 1 1 380.370 3.899 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000727423069 860088612 /nfs/dbraw/zinc/08/86/12/860088612.db2.gz KWZVFXNYEOETNT-UHFFFAOYSA-N 1 1 393.491 3.746 20 5 GHBDMO C[N@H+](Cc1ccccc1)CC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000727423069 860088622 /nfs/dbraw/zinc/08/86/22/860088622.db2.gz KWZVFXNYEOETNT-UHFFFAOYSA-N 1 1 393.491 3.746 20 5 GHBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598195947 860139682 /nfs/dbraw/zinc/13/96/82/860139682.db2.gz XPAGEDWDLCEFCL-QGZVFWFLSA-N 1 1 387.867 3.637 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)nc2c1 ZINC000602662104 860198481 /nfs/dbraw/zinc/19/84/81/860198481.db2.gz MDKHEPYXZKIRFM-ZIFCJYIRSA-N 1 1 379.416 3.741 20 5 GHBDMO CC1=Nc2ccccc2C12CC[NH+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC2 ZINC000602859544 860317087 /nfs/dbraw/zinc/31/70/87/860317087.db2.gz DANRSCWCEIETBO-UHFFFAOYSA-N 1 1 392.459 3.982 20 5 GHBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000130754935 860462698 /nfs/dbraw/zinc/46/26/98/860462698.db2.gz IMQVFGZHUFYBEQ-HKUYNNGSSA-N 1 1 392.477 3.642 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000130754935 860462701 /nfs/dbraw/zinc/46/27/01/860462701.db2.gz IMQVFGZHUFYBEQ-HKUYNNGSSA-N 1 1 392.477 3.642 20 5 GHBDMO Cc1c(C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000025536585 860534720 /nfs/dbraw/zinc/53/47/20/860534720.db2.gz PEABULHFMAICTP-OAQYLSRUSA-N 1 1 381.476 3.716 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000391473281 860606727 /nfs/dbraw/zinc/60/67/27/860606727.db2.gz KAFNPOCNXVABIL-JTQLQIEISA-N 1 1 379.210 3.937 20 5 GHBDMO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000429019308 860706872 /nfs/dbraw/zinc/70/68/72/860706872.db2.gz ITTYPMHAUJANBK-MEBBXXQBSA-N 1 1 383.217 3.881 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000599042520 860745784 /nfs/dbraw/zinc/74/57/84/860745784.db2.gz MFSJHTGFPLIMSV-LEWJYISDSA-N 1 1 393.487 3.711 20 5 GHBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125790320 860778093 /nfs/dbraw/zinc/77/80/93/860778093.db2.gz WYGKTKJQUHETGK-KRWDZBQOSA-N 1 1 379.254 3.565 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000593689842 860878225 /nfs/dbraw/zinc/87/82/25/860878225.db2.gz WXUCRLAUXQUXIE-GSLFCAENSA-N 1 1 392.864 3.746 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000593689842 860878232 /nfs/dbraw/zinc/87/82/32/860878232.db2.gz WXUCRLAUXQUXIE-GSLFCAENSA-N 1 1 392.864 3.746 20 5 GHBDMO CSc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000603601995 860888394 /nfs/dbraw/zinc/88/83/94/860888394.db2.gz SAUKTQOGUVQJHI-QGZVFWFLSA-N 1 1 385.489 3.711 20 5 GHBDMO C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185577747 861006778 /nfs/dbraw/zinc/00/67/78/861006778.db2.gz GMWKECZKVKTZGT-RRFJBIMHSA-N 1 1 377.460 3.607 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1F ZINC000763926128 861009203 /nfs/dbraw/zinc/00/92/03/861009203.db2.gz FEKYFPLDFPFLCQ-MRXNPFEDSA-N 1 1 375.400 3.592 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000555878561 861149914 /nfs/dbraw/zinc/14/99/14/861149914.db2.gz LCAUDNAKHNLINA-AWEZNQCLSA-N 1 1 377.404 3.890 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000555878561 861149920 /nfs/dbraw/zinc/14/99/20/861149920.db2.gz LCAUDNAKHNLINA-AWEZNQCLSA-N 1 1 377.404 3.890 20 5 GHBDMO Cc1cc(NCc2ccccc2C[NH+]2CCOCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302047077 861185693 /nfs/dbraw/zinc/18/56/93/861185693.db2.gz YOMYTMUOOIXBFD-UHFFFAOYSA-N 1 1 392.459 3.896 20 5 GHBDMO COc1cc(C[N@H+](C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000159864638 863076051 /nfs/dbraw/zinc/07/60/51/863076051.db2.gz GWBYJAQQGHSZNR-UHFFFAOYSA-N 1 1 395.406 3.903 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000159864638 863076071 /nfs/dbraw/zinc/07/60/71/863076071.db2.gz GWBYJAQQGHSZNR-UHFFFAOYSA-N 1 1 395.406 3.903 20 5 GHBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444123057 863491017 /nfs/dbraw/zinc/49/10/17/863491017.db2.gz LJNSDPWXUAQKBZ-HNNXBMFYSA-N 1 1 395.478 3.624 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000594019185 863757628 /nfs/dbraw/zinc/75/76/28/863757628.db2.gz DHZPEXFYJNZFAK-MRXNPFEDSA-N 1 1 375.400 3.812 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000594026153 863766297 /nfs/dbraw/zinc/76/62/97/863766297.db2.gz DRJAANHJBYLCIH-CQSZACIVSA-N 1 1 386.395 3.738 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000594026153 863766303 /nfs/dbraw/zinc/76/63/03/863766303.db2.gz DRJAANHJBYLCIH-CQSZACIVSA-N 1 1 386.395 3.738 20 5 GHBDMO O=[N+]([O-])c1c(Br)cccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000856737515 881703986 /nfs/dbraw/zinc/70/39/86/881703986.db2.gz GGFXZHAGTRSKGF-SWLSCSKDSA-N 1 1 380.286 3.810 20 5 GHBDMO CCC(=O)c1ccc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000480053855 863947062 /nfs/dbraw/zinc/94/70/62/863947062.db2.gz IFTROUBBCWXOEZ-UHFFFAOYSA-N 1 1 383.452 3.675 20 5 GHBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480060211 863965222 /nfs/dbraw/zinc/96/52/22/863965222.db2.gz RWOWDLOITMEITG-FQEVSTJZSA-N 1 1 396.491 3.709 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000128374076 864119639 /nfs/dbraw/zinc/11/96/39/864119639.db2.gz IRALMMLGHQDCEV-UHFFFAOYSA-N 1 1 391.309 3.755 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000734843088 864472438 /nfs/dbraw/zinc/47/24/38/864472438.db2.gz GWBDQKWGKBSOGR-CVEARBPZSA-N 1 1 388.773 3.872 20 5 GHBDMO C[N@H+]1CCCC[C@H]1CCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792895757 881781445 /nfs/dbraw/zinc/78/14/45/881781445.db2.gz CEOMGWDHKVKPEG-ZDUSSCGKSA-N 1 1 382.302 3.590 20 5 GHBDMO O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000735221332 864690693 /nfs/dbraw/zinc/69/06/93/864690693.db2.gz NWENGDAJGKLYEB-LJQANCHMSA-N 1 1 395.459 3.626 20 5 GHBDMO COc1cc(Br)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000480478963 864703312 /nfs/dbraw/zinc/70/33/12/864703312.db2.gz SKFZIZNUHNQTEM-UHFFFAOYSA-N 1 1 395.253 3.973 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475306214 864743357 /nfs/dbraw/zinc/74/33/57/864743357.db2.gz YMJSIASVZREPIZ-INIZCTEOSA-N 1 1 385.489 3.663 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735490663 864827267 /nfs/dbraw/zinc/82/72/67/864827267.db2.gz NFNDSHPJOZAABS-CYBMUJFWSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735490663 864827281 /nfs/dbraw/zinc/82/72/81/864827281.db2.gz NFNDSHPJOZAABS-CYBMUJFWSA-N 1 1 383.876 3.985 20 5 GHBDMO CC[C@](C)([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000173944069 865243103 /nfs/dbraw/zinc/24/31/03/865243103.db2.gz ZYUYPKBUPKDPKW-INIZCTEOSA-N 1 1 382.873 3.867 20 5 GHBDMO O=C(C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000736629378 865250821 /nfs/dbraw/zinc/25/08/21/865250821.db2.gz POZCNUKUDRLHJF-AWEZNQCLSA-N 1 1 391.830 3.890 20 5 GHBDMO O=C(C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000736629378 865250834 /nfs/dbraw/zinc/25/08/34/865250834.db2.gz POZCNUKUDRLHJF-AWEZNQCLSA-N 1 1 391.830 3.890 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186434372 865474466 /nfs/dbraw/zinc/47/44/66/865474466.db2.gz UVBQWYHIUINESA-QFIPXVFZSA-N 1 1 390.443 3.627 20 5 GHBDMO CCOc1cccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000195272103 881889758 /nfs/dbraw/zinc/88/97/58/881889758.db2.gz UQAMVVMZIFAYCO-GOSISDBHSA-N 1 1 385.464 3.562 20 5 GHBDMO Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000555219948 865711997 /nfs/dbraw/zinc/71/19/97/865711997.db2.gz HMCGQVJOAJQENI-IYBDPMFKSA-N 1 1 382.464 3.684 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)C[C@H](C)O1 ZINC000608870375 865771021 /nfs/dbraw/zinc/77/10/21/865771021.db2.gz CUZLWRVNKNSPRX-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)C[C@H](C)O1 ZINC000608870375 865771037 /nfs/dbraw/zinc/77/10/37/865771037.db2.gz CUZLWRVNKNSPRX-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000064113336 865923260 /nfs/dbraw/zinc/92/32/60/865923260.db2.gz OUANKAMMRKOTGU-MRXNPFEDSA-N 1 1 399.495 3.626 20 5 GHBDMO COc1ccc(-c2ccc(C[N@@H+](CCO)[C@@H]3CCCSC3)o2)c([N+](=O)[O-])c1 ZINC000475498625 866039625 /nfs/dbraw/zinc/03/96/25/866039625.db2.gz XOESHQZXFKRDGD-CQSZACIVSA-N 1 1 392.477 3.553 20 5 GHBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000185476922 866131888 /nfs/dbraw/zinc/13/18/88/866131888.db2.gz RGRCLIKBVQCHFS-NSHDSACASA-N 1 1 397.298 3.697 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534121976 866152891 /nfs/dbraw/zinc/15/28/91/866152891.db2.gz WLSPPMCITZWKCH-QGZVFWFLSA-N 1 1 392.459 3.956 20 5 GHBDMO CCOc1cc(N2CC[NH+](Cc3scnc3C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000475518601 866186908 /nfs/dbraw/zinc/18/69/08/866186908.db2.gz ZUQGOHDGTMWODH-UHFFFAOYSA-N 1 1 388.493 3.650 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](Cc2cccs2)C(C)C)cc1[N+](=O)[O-] ZINC000475555372 866268766 /nfs/dbraw/zinc/26/87/66/866268766.db2.gz WSUXSPFLXKSDJR-UHFFFAOYSA-N 1 1 378.450 3.619 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186688701 866619282 /nfs/dbraw/zinc/61/92/82/866619282.db2.gz WARHCOZMZFAHHT-LHSJRXKWSA-N 1 1 392.415 3.837 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186688701 866619288 /nfs/dbraw/zinc/61/92/88/866619288.db2.gz WARHCOZMZFAHHT-LHSJRXKWSA-N 1 1 392.415 3.837 20 5 GHBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000183637487 866943914 /nfs/dbraw/zinc/94/39/14/866943914.db2.gz ZESOTIJKQSYILP-HKUYNNGSSA-N 1 1 395.463 3.508 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000793206190 882032019 /nfs/dbraw/zinc/03/20/19/882032019.db2.gz CIWUYTRAGQVMNX-FQEVSTJZSA-N 1 1 394.519 3.675 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000457085952 867635033 /nfs/dbraw/zinc/63/50/33/867635033.db2.gz ICFHVQMKUHOXQW-AWEZNQCLSA-N 1 1 399.441 3.514 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)o1 ZINC000428410828 868676878 /nfs/dbraw/zinc/67/68/78/868676878.db2.gz ZWBJDEVYIOUKKD-UHFFFAOYSA-N 1 1 393.447 3.778 20 5 GHBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000554180981 868868338 /nfs/dbraw/zinc/86/83/38/868868338.db2.gz HSWMDDMNBLJTSH-HXUWFJFHSA-N 1 1 383.448 3.860 20 5 GHBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000462601843 869746215 /nfs/dbraw/zinc/74/62/15/869746215.db2.gz JPSZQZBQVAXJRI-SFHVURJKSA-N 1 1 387.455 3.551 20 5 GHBDMO C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c(OCc3ccccc3)n1)CC2 ZINC000462695002 869906189 /nfs/dbraw/zinc/90/61/89/869906189.db2.gz AFJXNNKVLVMSKA-UHFFFAOYSA-N 1 1 382.464 3.633 20 5 GHBDMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000525128376 870034100 /nfs/dbraw/zinc/03/41/00/870034100.db2.gz ATXLYZBFYRLUTF-UHFFFAOYSA-N 1 1 389.455 3.913 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001127240803 870051939 /nfs/dbraw/zinc/05/19/39/870051939.db2.gz CTSAIMHRLYNCNF-LSDHHAIUSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001127240803 870051955 /nfs/dbraw/zinc/05/19/55/870051955.db2.gz CTSAIMHRLYNCNF-LSDHHAIUSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000441071919 870152451 /nfs/dbraw/zinc/15/24/51/870152451.db2.gz VWQJSXISSAIIQY-VGOFRKELSA-N 1 1 376.460 3.870 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000441076560 870217894 /nfs/dbraw/zinc/21/78/94/870217894.db2.gz DXOVFOZDNNFZMG-QGZVFWFLSA-N 1 1 383.448 3.668 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000441076560 870217900 /nfs/dbraw/zinc/21/79/00/870217900.db2.gz DXOVFOZDNNFZMG-QGZVFWFLSA-N 1 1 383.448 3.668 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000462863507 870241052 /nfs/dbraw/zinc/24/10/52/870241052.db2.gz RWKVBINCQYSPJI-INIZCTEOSA-N 1 1 391.418 3.812 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000462863507 870241060 /nfs/dbraw/zinc/24/10/60/870241060.db2.gz RWKVBINCQYSPJI-INIZCTEOSA-N 1 1 391.418 3.812 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000446735024 870246891 /nfs/dbraw/zinc/24/68/91/870246891.db2.gz IGUGXSCRZNZILA-OAHLLOKOSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000446735024 870246909 /nfs/dbraw/zinc/24/69/09/870246909.db2.gz IGUGXSCRZNZILA-OAHLLOKOSA-N 1 1 397.258 3.700 20 5 GHBDMO COc1ccc(-c2ccc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797459 870627027 /nfs/dbraw/zinc/62/70/27/870627027.db2.gz ITPIEJBNJWEOPC-HNAYVOBHSA-N 1 1 385.464 3.780 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000746453875 870740561 /nfs/dbraw/zinc/74/05/61/870740561.db2.gz OFANFUHIRIMWBP-GFCCVEGCSA-N 1 1 377.828 3.975 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000746453875 870740570 /nfs/dbraw/zinc/74/05/70/870740570.db2.gz OFANFUHIRIMWBP-GFCCVEGCSA-N 1 1 377.828 3.975 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000461718711 870807250 /nfs/dbraw/zinc/80/72/50/870807250.db2.gz YKMOZFQVARBXFR-QGZVFWFLSA-N 1 1 396.491 3.789 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3CCO)o2)c(Br)c1 ZINC000428463794 870819809 /nfs/dbraw/zinc/81/98/09/870819809.db2.gz QFBWHRYHKWVOJS-LBPRGKRZSA-N 1 1 395.253 3.964 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[N@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169010978 871094534 /nfs/dbraw/zinc/09/45/34/871094534.db2.gz GWGDVBIYGGPPRO-WDSOQIARSA-N 1 1 395.544 3.933 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001169011628 871094876 /nfs/dbraw/zinc/09/48/76/871094876.db2.gz LSYFHEGKQNSIAQ-QRQLOZEOSA-N 1 1 389.496 3.726 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169013708 871097735 /nfs/dbraw/zinc/09/77/35/871097735.db2.gz WANPGLIAWGZIFV-QKLQHJQFSA-N 1 1 381.517 3.687 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000920964043 882476925 /nfs/dbraw/zinc/47/69/25/882476925.db2.gz WQVSJDKHAAWDLF-GBFAAKNCSA-N 1 1 377.444 3.751 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)[C@@]2(c3ccccc3)CCCCC2=O)c([N+](=O)[O-])c1 ZINC001193461910 871111834 /nfs/dbraw/zinc/11/18/34/871111834.db2.gz RCQASVRJEMAULB-JOCHJYFZSA-N 1 1 398.459 3.953 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4ccccc4CF)CC3)nc2c1 ZINC001169073103 871163806 /nfs/dbraw/zinc/16/38/06/871163806.db2.gz SUJMRKZUKCOEHM-UHFFFAOYSA-N 1 1 383.427 3.653 20 5 GHBDMO CC[C@@H](C[N@@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC001193591839 871177769 /nfs/dbraw/zinc/17/77/69/871177769.db2.gz BMGAHRFCLWTOJQ-KRWDZBQOSA-N 1 1 381.476 4.000 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)COCc1ccccc1Cl)C1CC1 ZINC000441239449 871359114 /nfs/dbraw/zinc/35/91/14/871359114.db2.gz OXWOCSVOKBAQOD-GOSISDBHSA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618284514 871467605 /nfs/dbraw/zinc/46/76/05/871467605.db2.gz OAKAPVQZYHGUNP-MRXNPFEDSA-N 1 1 379.464 3.568 20 5 GHBDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181786381 871478875 /nfs/dbraw/zinc/47/88/75/871478875.db2.gz RHDPZTXGPQXBBD-UHFFFAOYSA-N 1 1 385.346 3.720 20 5 GHBDMO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000447401513 871538265 /nfs/dbraw/zinc/53/82/65/871538265.db2.gz ZKNZRLRFTPTCBH-KRWDZBQOSA-N 1 1 392.459 3.733 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)CCOc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000441254900 871584022 /nfs/dbraw/zinc/58/40/22/871584022.db2.gz GCTLTFZFNJZUEN-UHFFFAOYSA-N 1 1 380.828 3.646 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540587276 871684237 /nfs/dbraw/zinc/68/42/37/871684237.db2.gz FQOTWOJEJKRZIR-GOSISDBHSA-N 1 1 397.475 3.588 20 5 GHBDMO CSc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000462183488 871786669 /nfs/dbraw/zinc/78/66/69/871786669.db2.gz BXSQUIYPAAKNAP-PBHICJAKSA-N 1 1 385.489 3.567 20 5 GHBDMO COc1cc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000463479198 871857207 /nfs/dbraw/zinc/85/72/07/871857207.db2.gz QAYLUKPROXCQOD-UHFFFAOYSA-N 1 1 391.418 3.590 20 5 GHBDMO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509657265 872011141 /nfs/dbraw/zinc/01/11/41/872011141.db2.gz JKECJNFRFUHFGU-INIZCTEOSA-N 1 1 375.419 3.827 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001194899404 872020095 /nfs/dbraw/zinc/02/00/95/872020095.db2.gz RIZRFUDDSVSXSV-GOEBONIOSA-N 1 1 393.484 3.586 20 5 GHBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001195013169 872070365 /nfs/dbraw/zinc/07/03/65/872070365.db2.gz JVVCYVDTJBFUSO-GFCCVEGCSA-N 1 1 379.819 3.889 20 5 GHBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001195021842 872105616 /nfs/dbraw/zinc/10/56/16/872105616.db2.gz ICSIADFJAKLUCX-VQTJNVASSA-N 1 1 388.489 3.637 20 5 GHBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001195021842 872105624 /nfs/dbraw/zinc/10/56/24/872105624.db2.gz ICSIADFJAKLUCX-VQTJNVASSA-N 1 1 388.489 3.637 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000552283515 872347716 /nfs/dbraw/zinc/34/77/16/872347716.db2.gz FACGOCVYWNKGOX-MNLRITNHSA-N 1 1 392.459 3.755 20 5 GHBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000446832720 872359993 /nfs/dbraw/zinc/35/99/93/872359993.db2.gz DDMRIHUNKPXWED-OAHLLOKOSA-N 1 1 396.447 3.977 20 5 GHBDMO COc1ccc(CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)cc1 ZINC000478053749 872389643 /nfs/dbraw/zinc/38/96/43/872389643.db2.gz NMDVBLUUAXVTNV-UHFFFAOYSA-N 1 1 380.448 3.545 20 5 GHBDMO O=C(CC[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)C1CC1 ZINC000767350843 872444323 /nfs/dbraw/zinc/44/43/23/872444323.db2.gz PVFABVDJHJFZBC-UHFFFAOYSA-N 1 1 399.516 3.810 20 5 GHBDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447909204 872512610 /nfs/dbraw/zinc/51/26/10/872512610.db2.gz WAGXTERWHJWHLK-YWZLYKJASA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000619569585 872747183 /nfs/dbraw/zinc/74/71/83/872747183.db2.gz UTCYHWJFRNXJTC-DMSXTEQDSA-N 1 1 390.480 3.613 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448029983 872755034 /nfs/dbraw/zinc/75/50/34/872755034.db2.gz RIOHRBYTICOUDA-YWZLYKJASA-N 1 1 382.464 3.825 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001127247393 872788214 /nfs/dbraw/zinc/78/82/14/872788214.db2.gz WXAAHEBOJYYDNG-KLDKWKSESA-N 1 1 393.487 3.820 20 5 GHBDMO CC1(C)C[C@@H]([N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)CO1 ZINC001196083994 872869967 /nfs/dbraw/zinc/86/99/67/872869967.db2.gz YYUFURMENOKSEF-HXUWFJFHSA-N 1 1 397.475 3.993 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC001196131950 872888162 /nfs/dbraw/zinc/88/81/62/872888162.db2.gz KJEFBXQYUCZWDF-JOCHJYFZSA-N 1 1 397.475 3.904 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001196135517 872891125 /nfs/dbraw/zinc/89/11/25/872891125.db2.gz XKEGTHVUASCELK-YCRPNKLZSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001196135517 872891132 /nfs/dbraw/zinc/89/11/32/872891132.db2.gz XKEGTHVUASCELK-YCRPNKLZSA-N 1 1 383.448 3.594 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c1Br ZINC001196159150 872919025 /nfs/dbraw/zinc/91/90/25/872919025.db2.gz LYICTTPULWMOSC-SFHVURJKSA-N 1 1 391.265 3.841 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1Br ZINC001196159150 872919039 /nfs/dbraw/zinc/91/90/39/872919039.db2.gz LYICTTPULWMOSC-SFHVURJKSA-N 1 1 391.265 3.841 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768716432 873515563 /nfs/dbraw/zinc/51/55/63/873515563.db2.gz MHXZDKNJNVEIAD-HNNXBMFYSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC001197253970 873677317 /nfs/dbraw/zinc/67/73/17/873677317.db2.gz DNMHIMOYAPJPRT-KRWDZBQOSA-N 1 1 379.254 3.913 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000769068955 873800038 /nfs/dbraw/zinc/80/00/38/873800038.db2.gz HZKKOTDPISQWBI-UHFFFAOYSA-N 1 1 378.425 3.745 20 5 GHBDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000464501263 873985814 /nfs/dbraw/zinc/98/58/14/873985814.db2.gz VFBNQMGBNRPQBC-INIZCTEOSA-N 1 1 378.469 3.936 20 5 GHBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000464501263 873985823 /nfs/dbraw/zinc/98/58/23/873985823.db2.gz VFBNQMGBNRPQBC-INIZCTEOSA-N 1 1 378.469 3.936 20 5 GHBDMO CCC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1cccs1 ZINC000464576009 874105507 /nfs/dbraw/zinc/10/55/07/874105507.db2.gz CRXFPJJDGLISRO-UHFFFAOYSA-N 1 1 389.477 3.909 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769514872 874122416 /nfs/dbraw/zinc/12/24/16/874122416.db2.gz LYJLRBKTCQRVRX-HNNXBMFYSA-N 1 1 382.302 3.521 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000541720969 874166791 /nfs/dbraw/zinc/16/67/91/874166791.db2.gz RVMLULFEGQMPOI-OAHLLOKOSA-N 1 1 379.526 3.949 20 5 GHBDMO CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000541831750 874353301 /nfs/dbraw/zinc/35/33/01/874353301.db2.gz ATVRTRYPALOSPL-UHFFFAOYSA-N 1 1 386.427 3.862 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464765293 874456288 /nfs/dbraw/zinc/45/62/88/874456288.db2.gz KWWFDLJBXZSEJA-MRXNPFEDSA-N 1 1 385.489 3.956 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464765293 874456297 /nfs/dbraw/zinc/45/62/97/874456297.db2.gz KWWFDLJBXZSEJA-MRXNPFEDSA-N 1 1 385.489 3.956 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000770385707 874670242 /nfs/dbraw/zinc/67/02/42/874670242.db2.gz KGDQQADHOBUDAZ-LRDXNBAQSA-N 1 1 375.469 3.843 20 5 GHBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000770385706 874670546 /nfs/dbraw/zinc/67/05/46/874670546.db2.gz KGDQQADHOBUDAZ-JDFMTEHDSA-N 1 1 375.469 3.843 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000464894462 874734359 /nfs/dbraw/zinc/73/43/59/874734359.db2.gz LEMMKKQQFYAZPZ-KRWDZBQOSA-N 1 1 397.475 3.730 20 5 GHBDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000542030663 874776749 /nfs/dbraw/zinc/77/67/49/874776749.db2.gz KWMBJIIEJOVPBG-MRXNPFEDSA-N 1 1 398.463 3.732 20 5 GHBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)C(N)=O ZINC000449410049 874833874 /nfs/dbraw/zinc/83/38/74/874833874.db2.gz TUIAZBBXCPXMOP-OAHLLOKOSA-N 1 1 385.464 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@@H]3[C@H]3CCCOC3)s2)cc1 ZINC000449437065 874889903 /nfs/dbraw/zinc/88/99/03/874889903.db2.gz YOXVZCNLKINUAV-KVSKMBFKSA-N 1 1 388.489 3.685 20 5 GHBDMO COc1ccc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000449672448 875220003 /nfs/dbraw/zinc/22/00/03/875220003.db2.gz WGIHWWGHJYQXRV-KRWDZBQOSA-N 1 1 385.247 3.908 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000542252170 875222164 /nfs/dbraw/zinc/22/21/64/875222164.db2.gz HKTFJYQIHAFBBH-FOIQADDNSA-N 1 1 383.448 3.649 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000542252180 875222287 /nfs/dbraw/zinc/22/22/87/875222287.db2.gz HKTFJYQIHAFBBH-YWZLYKJASA-N 1 1 383.448 3.649 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)C1 ZINC000465198094 875310827 /nfs/dbraw/zinc/31/08/27/875310827.db2.gz STJMGRWYALZUKB-CYBMUJFWSA-N 1 1 375.450 3.629 20 5 GHBDMO C[NH+]1CCN(C(=O)c2ccc(Nc3cccc4nc5ccccc5nc43)cc2)CC1 ZINC001201613910 875788734 /nfs/dbraw/zinc/78/87/34/875788734.db2.gz HFNYAZZBJGROLW-UHFFFAOYSA-N 1 1 397.482 3.914 20 5 GHBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000153112959 875914785 /nfs/dbraw/zinc/91/47/85/875914785.db2.gz ZLQUJSKFRHWJMH-UHFFFAOYSA-N 1 1 375.856 3.889 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000794442225 876042202 /nfs/dbraw/zinc/04/22/02/876042202.db2.gz FDZWFZKEZRSKQT-CYBMUJFWSA-N 1 1 376.844 3.764 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000794442225 876042218 /nfs/dbraw/zinc/04/22/18/876042218.db2.gz FDZWFZKEZRSKQT-CYBMUJFWSA-N 1 1 376.844 3.764 20 5 GHBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@@H]2C1 ZINC000491974468 876071558 /nfs/dbraw/zinc/07/15/58/876071558.db2.gz BSKHQUJCQAGKSA-MGPUTAFESA-N 1 1 396.447 3.945 20 5 GHBDMO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278150 876162857 /nfs/dbraw/zinc/16/28/57/876162857.db2.gz RQOPFXXJCOZKHD-YWZLYKJASA-N 1 1 389.883 3.660 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000529720659 876597077 /nfs/dbraw/zinc/59/70/77/876597077.db2.gz VOBGZOVFTVDDOX-KRWDZBQOSA-N 1 1 389.499 3.818 20 5 GHBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000122578020 876690407 /nfs/dbraw/zinc/69/04/07/876690407.db2.gz QDQFXLIYSZZQGG-MRXNPFEDSA-N 1 1 377.828 3.561 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000609211388 883058426 /nfs/dbraw/zinc/05/84/26/883058426.db2.gz CBZKAOUYFYDHDI-KRWDZBQOSA-N 1 1 396.491 3.962 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)ccc1[N+](=O)[O-] ZINC000492515724 876977174 /nfs/dbraw/zinc/97/71/74/876977174.db2.gz RTHYYCRSMJUANG-QGZVFWFLSA-N 1 1 398.463 3.548 20 5 GHBDMO O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786878577 877001114 /nfs/dbraw/zinc/00/11/14/877001114.db2.gz FRKWAOHIBUZXAL-GOSISDBHSA-N 1 1 385.420 3.700 20 5 GHBDMO COc1cc2c(cc1OC)CC[NH+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000746670221 877315419 /nfs/dbraw/zinc/31/54/19/877315419.db2.gz FDMBHPPSGSCIHV-UHFFFAOYSA-N 1 1 376.840 3.866 20 5 GHBDMO O=C(C[C@]12CCCC[C@H]1C2(F)F)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035721 877359887 /nfs/dbraw/zinc/35/98/87/877359887.db2.gz WOBJBZSDGVIYQW-YQVWRLOYSA-N 1 1 394.418 3.928 20 5 GHBDMO O=C(C[C@]12CCCC[C@H]1C2(F)F)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035721 877359898 /nfs/dbraw/zinc/35/98/98/877359898.db2.gz WOBJBZSDGVIYQW-YQVWRLOYSA-N 1 1 394.418 3.928 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000492783864 877537314 /nfs/dbraw/zinc/53/73/14/877537314.db2.gz MYQTXSNTUDXCGD-KRWDZBQOSA-N 1 1 393.447 3.768 20 5 GHBDMO Cc1c(C[N@@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] ZINC000787994643 877763686 /nfs/dbraw/zinc/76/36/86/877763686.db2.gz JJVOZAMEXYPJJM-FQEVSTJZSA-N 1 1 375.469 3.879 20 5 GHBDMO Cc1c(C[N@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] ZINC000787994643 877763695 /nfs/dbraw/zinc/76/36/95/877763695.db2.gz JJVOZAMEXYPJJM-FQEVSTJZSA-N 1 1 375.469 3.879 20 5 GHBDMO Cc1ccccc1[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000093478299 912287470 /nfs/dbraw/zinc/28/74/70/912287470.db2.gz MCPWHAPHUDKQIZ-OAQYLSRUSA-N 1 1 392.459 3.877 20 5 GHBDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000093478299 912287491 /nfs/dbraw/zinc/28/74/91/912287491.db2.gz MCPWHAPHUDKQIZ-OAQYLSRUSA-N 1 1 392.459 3.877 20 5 GHBDMO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc(F)ccc1F ZINC000179788047 878015851 /nfs/dbraw/zinc/01/58/51/878015851.db2.gz QNESIYUVFDRUOB-QGZVFWFLSA-N 1 1 375.375 3.503 20 5 GHBDMO Cc1ccnc(-c2noc(C[N@@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)n2)c1 ZINC000451553624 878137426 /nfs/dbraw/zinc/13/74/26/878137426.db2.gz YEXVQLMAHQJTPG-MRXNPFEDSA-N 1 1 379.420 3.728 20 5 GHBDMO Cc1ccnc(-c2noc(C[N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)n2)c1 ZINC000451553624 878137437 /nfs/dbraw/zinc/13/74/37/878137437.db2.gz YEXVQLMAHQJTPG-MRXNPFEDSA-N 1 1 379.420 3.728 20 5 GHBDMO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451554071 878141408 /nfs/dbraw/zinc/14/14/08/878141408.db2.gz ZAORAGIZTIOENC-OAHLLOKOSA-N 1 1 386.427 3.524 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](OC)[C@H](C)C2)cc1OC ZINC000451576095 878185795 /nfs/dbraw/zinc/18/57/95/878185795.db2.gz UBPVJOIRRXVSNH-DAYGRLMNSA-N 1 1 380.485 3.885 20 5 GHBDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179925283 878246009 /nfs/dbraw/zinc/24/60/09/878246009.db2.gz KHUAGMKKFUQGIB-JTQLQIEISA-N 1 1 381.791 3.685 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593726 878304327 /nfs/dbraw/zinc/30/43/27/878304327.db2.gz WVSNHZDCLWLZBY-VQTJNVASSA-N 1 1 380.448 3.742 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593726 878304343 /nfs/dbraw/zinc/30/43/43/878304343.db2.gz WVSNHZDCLWLZBY-VQTJNVASSA-N 1 1 380.448 3.742 20 5 GHBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000493114758 878434702 /nfs/dbraw/zinc/43/47/02/878434702.db2.gz UGGWNUWSDBIFAH-NHCUHLMSSA-N 1 1 394.475 3.564 20 5 GHBDMO CN(C)c1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000530890334 878694129 /nfs/dbraw/zinc/69/41/29/878694129.db2.gz PRLJLEPVPCLOGB-UHFFFAOYSA-N 1 1 391.431 3.920 20 5 GHBDMO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000180260039 878726259 /nfs/dbraw/zinc/72/62/59/878726259.db2.gz BPSJMTAARWDETJ-KRWDZBQOSA-N 1 1 379.819 3.973 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)c1 ZINC000452020204 878815619 /nfs/dbraw/zinc/81/56/19/878815619.db2.gz QZOLHCOXGQWSDF-QAQDUYKDSA-N 1 1 383.448 3.728 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000853120778 878828691 /nfs/dbraw/zinc/82/86/91/878828691.db2.gz QFWMMWYUEFYWSA-IRLDBZIGSA-N 1 1 395.503 3.520 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000853120778 878828707 /nfs/dbraw/zinc/82/87/07/878828707.db2.gz QFWMMWYUEFYWSA-IRLDBZIGSA-N 1 1 395.503 3.520 20 5 GHBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[nH+]1 ZINC000531061017 879002380 /nfs/dbraw/zinc/00/23/80/879002380.db2.gz DHBFSWFCHBBTOI-UHFFFAOYSA-N 1 1 392.415 3.932 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@](O)(C(F)(F)F)CC3)co2)cc1 ZINC000285735401 912413203 /nfs/dbraw/zinc/41/32/03/912413203.db2.gz XTMLIALWQRADDQ-MRXNPFEDSA-N 1 1 385.342 3.529 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@](O)(C(F)(F)F)CC3)co2)cc1 ZINC000285735401 912413215 /nfs/dbraw/zinc/41/32/15/912413215.db2.gz XTMLIALWQRADDQ-MRXNPFEDSA-N 1 1 385.342 3.529 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000538234715 879093621 /nfs/dbraw/zinc/09/36/21/879093621.db2.gz GAGYAHTZUPOFDI-LSDHHAIUSA-N 1 1 379.526 3.946 20 5 GHBDMO O=C(CC[N@H+](Cc1ccco1)Cc1cccnc1)Nc1ccc([N+](=O)[O-])cc1 ZINC001168458479 879314155 /nfs/dbraw/zinc/31/41/55/879314155.db2.gz LOCVIGKZBFZNHW-UHFFFAOYSA-N 1 1 380.404 3.614 20 5 GHBDMO O=C(CC[N@@H+](Cc1ccco1)Cc1cccnc1)Nc1ccc([N+](=O)[O-])cc1 ZINC001168458479 879314176 /nfs/dbraw/zinc/31/41/76/879314176.db2.gz LOCVIGKZBFZNHW-UHFFFAOYSA-N 1 1 380.404 3.614 20 5 GHBDMO CCOc1cc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)ccc1[N+](=O)[O-] ZINC000617210276 879512464 /nfs/dbraw/zinc/51/24/64/879512464.db2.gz HMULXRWYELXJJX-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO CCOc1cc(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)ccc1[N+](=O)[O-] ZINC000617210276 879512471 /nfs/dbraw/zinc/51/24/71/879512471.db2.gz HMULXRWYELXJJX-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO O=C1[C@H]([N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCN1Cc1ccccc1 ZINC000790322493 879598431 /nfs/dbraw/zinc/59/84/31/879598431.db2.gz QNCHVJYNTUQEEK-OAQYLSRUSA-N 1 1 379.460 3.750 20 5 GHBDMO O=C1[C@H]([N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCN1Cc1ccccc1 ZINC000790322493 879598437 /nfs/dbraw/zinc/59/84/37/879598437.db2.gz QNCHVJYNTUQEEK-OAQYLSRUSA-N 1 1 379.460 3.750 20 5 GHBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000031566385 879702357 /nfs/dbraw/zinc/70/23/57/879702357.db2.gz GXHXYKYEDBPXOV-IBGZPJMESA-N 1 1 394.475 3.564 20 5 GHBDMO CCCC1CCC([N@@H+](C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000790477697 879751164 /nfs/dbraw/zinc/75/11/64/879751164.db2.gz IRKNBPBXWCQDST-UHFFFAOYSA-N 1 1 388.468 3.612 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000774630373 912504149 /nfs/dbraw/zinc/50/41/49/912504149.db2.gz FPPDKHVKBYNBTJ-IBGZPJMESA-N 1 1 394.830 3.964 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000801540065 921112359 /nfs/dbraw/zinc/11/23/59/921112359.db2.gz IKYWZDBOPUQXEI-IBGZPJMESA-N 1 1 379.432 3.567 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000801540065 921112372 /nfs/dbraw/zinc/11/23/72/921112372.db2.gz IKYWZDBOPUQXEI-IBGZPJMESA-N 1 1 379.432 3.567 20 5 GHBDMO C[N@@H+](Cc1ccc2nc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)sc2c1)C1CC1 ZINC000855472184 880536920 /nfs/dbraw/zinc/53/69/20/880536920.db2.gz WTMVOPWTKNMEJD-UHFFFAOYSA-N 1 1 397.460 3.633 20 5 GHBDMO Cc1c(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cccc1[N+](=O)[O-] ZINC000453254388 880685983 /nfs/dbraw/zinc/68/59/83/880685983.db2.gz KRKKHSDXRWFZKC-GOSISDBHSA-N 1 1 380.404 3.527 20 5 GHBDMO Cc1c(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cccc1[N+](=O)[O-] ZINC000453254388 880685989 /nfs/dbraw/zinc/68/59/89/880685989.db2.gz KRKKHSDXRWFZKC-GOSISDBHSA-N 1 1 380.404 3.527 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)o1 ZINC000453257352 880691478 /nfs/dbraw/zinc/69/14/78/880691478.db2.gz MYCMZAFYUREITK-CYBMUJFWSA-N 1 1 390.346 3.863 20 5 GHBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000531880082 880713963 /nfs/dbraw/zinc/71/39/63/880713963.db2.gz RFYKRKWNWXONCX-DYESRHJHSA-N 1 1 396.491 3.962 20 5 GHBDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001170160756 880777710 /nfs/dbraw/zinc/77/77/10/880777710.db2.gz IQALTGRZKQHESZ-OXJNMPFZSA-N 1 1 379.460 3.957 20 5 GHBDMO CN(C)c1ccc(NC(=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000792268369 881026351 /nfs/dbraw/zinc/02/63/51/881026351.db2.gz MKCDQDMGIBCCJQ-UHFFFAOYSA-N 1 1 382.464 3.654 20 5 GHBDMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000792363513 881056898 /nfs/dbraw/zinc/05/68/98/881056898.db2.gz AGRIOBVVHDBNJR-JOCHJYFZSA-N 1 1 394.475 3.855 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000237939089 881275331 /nfs/dbraw/zinc/27/53/31/881275331.db2.gz UNHSWQREQJGKKS-UHFFFAOYSA-N 1 1 379.416 3.737 20 5 GHBDMO O=[N+]([O-])c1cccc(/C=C\c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c1 ZINC000609475462 883238493 /nfs/dbraw/zinc/23/84/93/883238493.db2.gz JUNMKOMMIXASJQ-TWGQIWQCSA-N 1 1 392.415 3.647 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC([NH+]2CCOCC2)CC1 ZINC000858630553 883245162 /nfs/dbraw/zinc/24/51/62/883245162.db2.gz ADXKQURHMPXVBR-UHFFFAOYSA-N 1 1 393.793 3.568 20 5 GHBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609506499 883304566 /nfs/dbraw/zinc/30/45/66/883304566.db2.gz BSKBKVPVMHODGP-YQQQUEKLSA-N 1 1 383.423 3.659 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCc3ccc(F)cc3)C3CC3)o2)cc1 ZINC000609744399 883601186 /nfs/dbraw/zinc/60/11/86/883601186.db2.gz GREIREQLZJFPAP-UHFFFAOYSA-N 1 1 382.395 3.991 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000286397897 912727862 /nfs/dbraw/zinc/72/78/62/912727862.db2.gz JPIFPSOIMAMWFF-LBPRGKRZSA-N 1 1 384.465 3.516 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000609766460 883655679 /nfs/dbraw/zinc/65/56/79/883655679.db2.gz QCMWAGFNJOOUAV-KRWDZBQOSA-N 1 1 399.422 3.739 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000064550898 883675016 /nfs/dbraw/zinc/67/50/16/883675016.db2.gz YRROPBVUGGKXNG-CYBMUJFWSA-N 1 1 376.438 3.889 20 5 GHBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000609874709 883761524 /nfs/dbraw/zinc/76/15/24/883761524.db2.gz PIQAECSLNXREBW-UHFFFAOYSA-N 1 1 399.878 3.911 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000859930230 884180306 /nfs/dbraw/zinc/18/03/06/884180306.db2.gz SMWAJVPTHCBDJL-GBESFXJTSA-N 1 1 379.460 3.967 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000026251044 884743818 /nfs/dbraw/zinc/74/38/18/884743818.db2.gz KDXHUMGEHVEOHF-IBGZPJMESA-N 1 1 383.448 3.941 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@@]4(C3)OCc3ccccc34)c2)cc1 ZINC000774706425 912951639 /nfs/dbraw/zinc/95/16/39/912951639.db2.gz VNDRMNXRBNHWGP-QFIPXVFZSA-N 1 1 390.443 3.937 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCC[C@@]4(C3)OCc3ccccc34)c2)cc1 ZINC000774706425 912951652 /nfs/dbraw/zinc/95/16/52/912951652.db2.gz VNDRMNXRBNHWGP-QFIPXVFZSA-N 1 1 390.443 3.937 20 5 GHBDMO CC[N@@H+](C)CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498754927 885639333 /nfs/dbraw/zinc/63/93/33/885639333.db2.gz LFGRDOBVAACBCL-UHFFFAOYSA-N 1 1 377.828 3.722 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249044458 885856892 /nfs/dbraw/zinc/85/68/92/885856892.db2.gz VSCQNZWLBRFHCB-ACDBMABISA-N 1 1 381.476 3.889 20 5 GHBDMO C[NH+]1CCN(CCCCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000915212005 886015867 /nfs/dbraw/zinc/01/58/67/886015867.db2.gz RQUFEKBVRQFJPR-UHFFFAOYSA-N 1 1 394.825 3.707 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc(C)c([N+](=O)[O-])c3)C2)s1 ZINC000556827145 886273294 /nfs/dbraw/zinc/27/32/94/886273294.db2.gz IUSHGLFSRJMVQT-MRXNPFEDSA-N 1 1 387.505 3.867 20 5 GHBDMO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1(CC)CC ZINC000556871750 886426530 /nfs/dbraw/zinc/42/65/30/886426530.db2.gz MDNUKRZJRLQVJX-OTWHNJEPSA-N 1 1 386.496 3.991 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272386327 887354050 /nfs/dbraw/zinc/35/40/50/887354050.db2.gz WCUIQLCBFIWSNN-NVXWUHKLSA-N 1 1 399.516 3.957 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272504925 887597414 /nfs/dbraw/zinc/59/74/14/887597414.db2.gz HYNGRZIZTBBQRQ-YLJYHZDGSA-N 1 1 385.512 3.662 20 5 GHBDMO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272520499 887617316 /nfs/dbraw/zinc/61/73/16/887617316.db2.gz LCZWOOSUNBLZLO-YZGWKJHDSA-N 1 1 386.496 3.991 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000153325730 887648402 /nfs/dbraw/zinc/64/84/02/887648402.db2.gz TZGYKUDWHQTHMZ-OAHLLOKOSA-N 1 1 396.447 3.964 20 5 GHBDMO C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794623683 887688873 /nfs/dbraw/zinc/68/88/73/887688873.db2.gz ORZBVVGVIWXFPZ-OXJNMPFZSA-N 1 1 397.431 3.560 20 5 GHBDMO C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794623683 887688893 /nfs/dbraw/zinc/68/88/93/887688893.db2.gz ORZBVVGVIWXFPZ-OXJNMPFZSA-N 1 1 397.431 3.560 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCc1cn2c([nH+]1)CCCC2 ZINC000301103702 887758590 /nfs/dbraw/zinc/75/85/90/887758590.db2.gz QYTNIMBALCMDEG-UHFFFAOYSA-N 1 1 399.329 3.709 20 5 GHBDMO C[C@H]1Cc2[nH+]cn(Cc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2C[C@@H]1C ZINC000865369105 888315698 /nfs/dbraw/zinc/31/56/98/888315698.db2.gz JOABELWMVDSHAC-QWRGUYRKSA-N 1 1 387.827 3.914 20 5 GHBDMO COc1cccc([C@H](C)[NH+]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC000509672007 888758787 /nfs/dbraw/zinc/75/87/87/888758787.db2.gz HPGDSNMGHCRXQV-AWEZNQCLSA-N 1 1 391.418 3.760 20 5 GHBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000810848452 888940744 /nfs/dbraw/zinc/94/07/44/888940744.db2.gz VBNKHPQOIAKXAI-PKOBYXMFSA-N 1 1 395.459 3.991 20 5 GHBDMO CC(C)[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000532929484 889303441 /nfs/dbraw/zinc/30/34/41/889303441.db2.gz ZLRNJYQROFMQMA-UHFFFAOYSA-N 1 1 387.411 3.943 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(Br)c1 ZINC000532931190 889311601 /nfs/dbraw/zinc/31/16/01/889311601.db2.gz VNKIWVHRGFUZMO-GFCCVEGCSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(Br)c1 ZINC000532931190 889311617 /nfs/dbraw/zinc/31/16/17/889311617.db2.gz VNKIWVHRGFUZMO-GFCCVEGCSA-N 1 1 392.253 3.816 20 5 GHBDMO COc1ccccc1CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000532943103 889352205 /nfs/dbraw/zinc/35/22/05/889352205.db2.gz AOZYOLVUQZKOMN-INIZCTEOSA-N 1 1 397.475 3.885 20 5 GHBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000123753185 889386338 /nfs/dbraw/zinc/38/63/38/889386338.db2.gz IOKRVMWMYLRBSW-OAHLLOKOSA-N 1 1 379.526 3.757 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccc2ccccc21 ZINC000533240862 890052370 /nfs/dbraw/zinc/05/23/70/890052370.db2.gz IPWNEKHEPDOWFO-UHFFFAOYSA-N 1 1 375.428 3.769 20 5 GHBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1Cl ZINC000763418954 890330792 /nfs/dbraw/zinc/33/07/92/890330792.db2.gz GIJOLNBSWMFRFV-UHFFFAOYSA-N 1 1 389.260 3.595 20 5 GHBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000917062337 890890776 /nfs/dbraw/zinc/89/07/76/890890776.db2.gz OSYVXAVXWSPRFP-GOSISDBHSA-N 1 1 394.475 3.564 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)cc2)c1C ZINC000812740795 890923039 /nfs/dbraw/zinc/92/30/39/890923039.db2.gz OTFBVUIATRCJBW-UHFFFAOYSA-N 1 1 395.375 3.866 20 5 GHBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc4nsnc4c([N+](=O)[O-])c3)cc2)c1C ZINC000812742296 890924552 /nfs/dbraw/zinc/92/45/52/890924552.db2.gz UDQCSNJVAFVDKT-UHFFFAOYSA-N 1 1 394.416 3.654 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872023368 891122815 /nfs/dbraw/zinc/12/28/15/891122815.db2.gz REZUMYSJAPPZMI-ZNMIVQPWSA-N 1 1 388.443 3.593 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000872281230 891227330 /nfs/dbraw/zinc/22/73/30/891227330.db2.gz YYTDZOBYFCIYOP-QGZVFWFLSA-N 1 1 375.469 3.655 20 5 GHBDMO Cn1c(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc2ccccc21 ZINC000813170485 891330110 /nfs/dbraw/zinc/33/01/10/891330110.db2.gz GNZDRJJJHSARKP-SFHVURJKSA-N 1 1 379.416 3.518 20 5 GHBDMO Cn1c(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc2ccccc21 ZINC000813170485 891330127 /nfs/dbraw/zinc/33/01/27/891330127.db2.gz GNZDRJJJHSARKP-SFHVURJKSA-N 1 1 379.416 3.518 20 5 GHBDMO Cc1nc2ccc(C(=O)O[C@H]3CC[N@H+](Cc4cccc([N+](=O)[O-])c4)C3)cc2s1 ZINC000813170471 891330352 /nfs/dbraw/zinc/33/03/52/891330352.db2.gz GBWXOPWZFVIFEG-KRWDZBQOSA-N 1 1 397.456 3.944 20 5 GHBDMO Cc1nc2ccc(C(=O)O[C@H]3CC[N@@H+](Cc4cccc([N+](=O)[O-])c4)C3)cc2s1 ZINC000813170471 891330366 /nfs/dbraw/zinc/33/03/66/891330366.db2.gz GBWXOPWZFVIFEG-KRWDZBQOSA-N 1 1 397.456 3.944 20 5 GHBDMO COc1ccc(C[C@H](C)C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813172917 891332519 /nfs/dbraw/zinc/33/25/19/891332519.db2.gz PSRHNRQITXVMSD-KKSFZXQISA-N 1 1 398.459 3.600 20 5 GHBDMO COc1ccc(C[C@H](C)C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813172917 891332535 /nfs/dbraw/zinc/33/25/35/891332535.db2.gz PSRHNRQITXVMSD-KKSFZXQISA-N 1 1 398.459 3.600 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1nccc2ccccc21 ZINC000813173308 891337373 /nfs/dbraw/zinc/33/73/73/891337373.db2.gz YLNFBTWJGZDJSV-SFHVURJKSA-N 1 1 377.400 3.574 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1nccc2ccccc21 ZINC000813173308 891337387 /nfs/dbraw/zinc/33/73/87/891337387.db2.gz YLNFBTWJGZDJSV-SFHVURJKSA-N 1 1 377.400 3.574 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H](c1ccccc1)C1CC1 ZINC000813173642 891337419 /nfs/dbraw/zinc/33/74/19/891337419.db2.gz HYROVOGKWDKGQX-LEWJYISDSA-N 1 1 380.444 3.906 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H](c1ccccc1)C1CC1 ZINC000813173642 891337435 /nfs/dbraw/zinc/33/74/35/891337435.db2.gz HYROVOGKWDKGQX-LEWJYISDSA-N 1 1 380.444 3.906 20 5 GHBDMO Cc1c([C@@H](C)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000191839721 891563143 /nfs/dbraw/zinc/56/31/43/891563143.db2.gz KZNCRYHZHSLIFY-UYAOXDASSA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1c([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000191839721 891563159 /nfs/dbraw/zinc/56/31/59/891563159.db2.gz KZNCRYHZHSLIFY-UYAOXDASSA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1ccc(N2CCC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000917212189 891631677 /nfs/dbraw/zinc/63/16/77/891631677.db2.gz UYSKPCVIKMEHGO-UHFFFAOYSA-N 1 1 396.491 3.753 20 5 GHBDMO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000016558681 891975421 /nfs/dbraw/zinc/97/54/21/891975421.db2.gz ABNURCHRJWBQQY-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000016558681 891975435 /nfs/dbraw/zinc/97/54/35/891975435.db2.gz ABNURCHRJWBQQY-LBPRGKRZSA-N 1 1 377.828 3.716 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000130676772 891977535 /nfs/dbraw/zinc/97/75/35/891977535.db2.gz KLBVNYOGNBFBTC-SFHVURJKSA-N 1 1 388.512 3.637 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(Sc4ccccn4)o3)C2)nc1 ZINC000508680492 892474184 /nfs/dbraw/zinc/47/41/84/892474184.db2.gz PLQQVVIMGMYIEF-AWEZNQCLSA-N 1 1 397.460 3.815 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(Sc4ccccn4)o3)C2)nc1 ZINC000508680492 892474198 /nfs/dbraw/zinc/47/41/98/892474198.db2.gz PLQQVVIMGMYIEF-AWEZNQCLSA-N 1 1 397.460 3.815 20 5 GHBDMO Cc1c(OC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000917755703 892480520 /nfs/dbraw/zinc/48/05/20/892480520.db2.gz IDVTUEPGBJWLRZ-GASCZTMLSA-N 1 1 384.432 3.732 20 5 GHBDMO Cc1c(OC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000917755703 892480532 /nfs/dbraw/zinc/48/05/32/892480532.db2.gz IDVTUEPGBJWLRZ-GASCZTMLSA-N 1 1 384.432 3.732 20 5 GHBDMO Cc1c(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933341771 893010722 /nfs/dbraw/zinc/01/07/22/893010722.db2.gz RWMGHEXIGZWGIY-RYUDHWBXSA-N 1 1 386.374 3.670 20 5 GHBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(N2CCCOC2=O)cc1 ZINC000814657827 893015834 /nfs/dbraw/zinc/01/58/34/893015834.db2.gz SSBUIFADQRDICH-CYBMUJFWSA-N 1 1 396.403 3.934 20 5 GHBDMO COc1cccc2c1CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000194571836 893114259 /nfs/dbraw/zinc/11/42/59/893114259.db2.gz JAGLTBXYBGNYGI-UHFFFAOYSA-N 1 1 392.459 3.605 20 5 GHBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001134764020 893277615 /nfs/dbraw/zinc/27/76/15/893277615.db2.gz CVVKPXQJSREAJC-QGZVFWFLSA-N 1 1 385.489 3.960 20 5 GHBDMO Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC001134821221 893328984 /nfs/dbraw/zinc/32/89/84/893328984.db2.gz PYHJCNBQZPECAI-HLAWJBBLSA-N 1 1 393.487 3.934 20 5 GHBDMO CC[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000542611384 893408133 /nfs/dbraw/zinc/40/81/33/893408133.db2.gz FGGRMBWTUJCBCC-QAPCUYQASA-N 1 1 399.466 3.791 20 5 GHBDMO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498154673 893426577 /nfs/dbraw/zinc/42/65/77/893426577.db2.gz YLLXXOYNDDVAQA-UZLBHIALSA-N 1 1 389.521 3.823 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822775 893834010 /nfs/dbraw/zinc/83/40/10/893834010.db2.gz ILNRSGCEKRWBON-WBMJQRKESA-N 1 1 398.385 3.537 20 5 GHBDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000877984294 893928683 /nfs/dbraw/zinc/92/86/83/893928683.db2.gz FQPMQTKGMJTHPP-INIZCTEOSA-N 1 1 394.431 3.861 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000877989336 893932313 /nfs/dbraw/zinc/93/23/13/893932313.db2.gz YFSXNRRKFHWHNA-UHFFFAOYSA-N 1 1 382.420 3.718 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878105607 894021712 /nfs/dbraw/zinc/02/17/12/894021712.db2.gz ACVZYHCLXOGAKA-DLBZAZTESA-N 1 1 399.495 3.731 20 5 GHBDMO COc1ccc(Br)c(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815569771 894038864 /nfs/dbraw/zinc/03/88/64/894038864.db2.gz HHSAFODBHVKZIN-JTQLQIEISA-N 1 1 380.242 3.799 20 5 GHBDMO Cc1ccc(Sc2ccc(C[NH2+][C@H](CO)c3ccnn3C)cc2[N+](=O)[O-])cc1 ZINC000459705398 894067701 /nfs/dbraw/zinc/06/77/01/894067701.db2.gz IDXXPMWEAVYSIP-QGZVFWFLSA-N 1 1 398.488 3.611 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000935014017 894117486 /nfs/dbraw/zinc/11/74/86/894117486.db2.gz VQTSHXFZVLJVOW-KDOFPFPSSA-N 1 1 391.899 3.656 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1)CC(C)C ZINC000536919131 894129885 /nfs/dbraw/zinc/12/98/85/894129885.db2.gz CXDUGLPSAADESG-UHFFFAOYSA-N 1 1 393.532 3.662 20 5 GHBDMO CC[N@H+](CCC1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1)CC(C)C ZINC000536919131 894129890 /nfs/dbraw/zinc/12/98/90/894129890.db2.gz CXDUGLPSAADESG-UHFFFAOYSA-N 1 1 393.532 3.662 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1)CC(C)C ZINC000536919131 894129898 /nfs/dbraw/zinc/12/98/98/894129898.db2.gz CXDUGLPSAADESG-UHFFFAOYSA-N 1 1 393.532 3.662 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000039564078 894334623 /nfs/dbraw/zinc/33/46/23/894334623.db2.gz XCGIGGLIUBVAFN-HNNXBMFYSA-N 1 1 379.526 3.654 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000564441681 894986537 /nfs/dbraw/zinc/98/65/37/894986537.db2.gz BFBFOFYRNNKJER-SFHVURJKSA-N 1 1 386.452 3.590 20 5 GHBDMO Cc1c(C[N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000564915270 895309217 /nfs/dbraw/zinc/30/92/17/895309217.db2.gz FSZDXVAOGCEUIM-UHFFFAOYSA-N 1 1 378.469 3.616 20 5 GHBDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000564915580 895309802 /nfs/dbraw/zinc/30/98/02/895309802.db2.gz JDRXNQLXWNGKFM-UHFFFAOYSA-N 1 1 398.887 3.961 20 5 GHBDMO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001170858441 895450847 /nfs/dbraw/zinc/45/08/47/895450847.db2.gz BZDYXFKDBCHYPQ-OAHLLOKOSA-N 1 1 398.246 3.817 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3Cc4ccccc4N4CCC[C@H]4C3)o2)cc1 ZINC000880556347 895749150 /nfs/dbraw/zinc/74/91/50/895749150.db2.gz AFHUNEYBODEWGC-SFHVURJKSA-N 1 1 391.431 3.629 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3Cc4ccccc4N4CCC[C@H]4C3)o2)cc1 ZINC000880556347 895749153 /nfs/dbraw/zinc/74/91/53/895749153.db2.gz AFHUNEYBODEWGC-SFHVURJKSA-N 1 1 391.431 3.629 20 5 GHBDMO CC(C)[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000565882688 895956427 /nfs/dbraw/zinc/95/64/27/895956427.db2.gz CUTSGSBXRGYBCQ-PMACEKPBSA-N 1 1 379.464 3.842 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001136109454 896020952 /nfs/dbraw/zinc/02/09/52/896020952.db2.gz ZVCUQXCVQKAKCC-UHFFFAOYSA-N 1 1 387.867 3.557 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)o1 ZINC000566486428 896336540 /nfs/dbraw/zinc/33/65/40/896336540.db2.gz DJRLUIGRLWUOCE-KRWDZBQOSA-N 1 1 385.464 3.542 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1CCC[C@H]1O ZINC000567225563 896986006 /nfs/dbraw/zinc/98/60/06/896986006.db2.gz PWJRLQVJGSDJIC-HZPDHXFCSA-N 1 1 395.253 3.963 20 5 GHBDMO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000568329136 897745630 /nfs/dbraw/zinc/74/56/30/897745630.db2.gz DMVJIYNNOUWMFF-MGPUTAFESA-N 1 1 390.867 3.790 20 5 GHBDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000568329136 897745640 /nfs/dbraw/zinc/74/56/40/897745640.db2.gz DMVJIYNNOUWMFF-MGPUTAFESA-N 1 1 390.867 3.790 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000043149701 898247411 /nfs/dbraw/zinc/24/74/11/898247411.db2.gz JXFCNMJVQMFGNU-QGZVFWFLSA-N 1 1 376.844 3.981 20 5 GHBDMO CC(C)c1nc2c(n1C)CC[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000106374021 898267255 /nfs/dbraw/zinc/26/72/55/898267255.db2.gz MQWSJOQCNLUXTF-UHFFFAOYSA-N 1 1 395.463 3.708 20 5 GHBDMO CC(C)c1nc2c(n1C)CC[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000106374021 898267268 /nfs/dbraw/zinc/26/72/68/898267268.db2.gz MQWSJOQCNLUXTF-UHFFFAOYSA-N 1 1 395.463 3.708 20 5 GHBDMO Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001186088843 914297797 /nfs/dbraw/zinc/29/77/97/914297797.db2.gz KRHOFCAMHRPICZ-ZDUSSCGKSA-N 1 1 375.391 3.835 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000332410289 899647391 /nfs/dbraw/zinc/64/73/91/899647391.db2.gz QVGYAPLHLKAJFH-JKIFEVAISA-N 1 1 379.888 3.655 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1)[NH+]1CCOCC1 ZINC000156481711 899798592 /nfs/dbraw/zinc/79/85/92/899798592.db2.gz WONWPIZQXFRNLD-ZDUSSCGKSA-N 1 1 389.839 3.894 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cccc1[N+](=O)[O-] ZINC000135221195 900204029 /nfs/dbraw/zinc/20/40/29/900204029.db2.gz RRUHQLIMPDUGFL-UHFFFAOYSA-N 1 1 398.419 3.805 20 5 GHBDMO C[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCc2ccc(F)cc21 ZINC000844760281 901241764 /nfs/dbraw/zinc/24/17/64/901241764.db2.gz OZHMVSNKOKMWKU-AWEZNQCLSA-N 1 1 381.411 3.612 20 5 GHBDMO C[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCc2ccc(F)cc21 ZINC000844760281 901241773 /nfs/dbraw/zinc/24/17/73/901241773.db2.gz OZHMVSNKOKMWKU-AWEZNQCLSA-N 1 1 381.411 3.612 20 5 GHBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000093808384 901565385 /nfs/dbraw/zinc/56/53/85/901565385.db2.gz JOGRBAGDJUQCEX-GFCCVEGCSA-N 1 1 377.828 3.596 20 5 GHBDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000778942886 902044491 /nfs/dbraw/zinc/04/44/91/902044491.db2.gz SUJWQMZATLRDON-QGZVFWFLSA-N 1 1 377.485 3.512 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000778984894 902555858 /nfs/dbraw/zinc/55/58/58/902555858.db2.gz FCEBNBWJMQCCGW-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000778984894 902555868 /nfs/dbraw/zinc/55/58/68/902555868.db2.gz FCEBNBWJMQCCGW-QWHCGFSZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000846946789 903338862 /nfs/dbraw/zinc/33/88/62/903338862.db2.gz KVWJBKVTSZZGRE-AWEZNQCLSA-N 1 1 394.903 3.526 20 5 GHBDMO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283017752 903682476 /nfs/dbraw/zinc/68/24/76/903682476.db2.gz GRXVBDXGRWEVDZ-UHFFFAOYSA-N 1 1 390.390 3.659 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136738866 903806163 /nfs/dbraw/zinc/80/61/63/903806163.db2.gz XTCVDQRSQXXIRG-ZDUSSCGKSA-N 1 1 393.896 3.952 20 5 GHBDMO Cc1nc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])cc3Cl)CC2)oc1C ZINC000265500540 903928663 /nfs/dbraw/zinc/92/86/63/903928663.db2.gz HXZUUKZQUIHXHZ-UHFFFAOYSA-N 1 1 379.848 3.572 20 5 GHBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000578704011 904066081 /nfs/dbraw/zinc/06/60/81/904066081.db2.gz KCWIURQDRAOIFH-KRWDZBQOSA-N 1 1 385.439 3.766 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000579057514 904319612 /nfs/dbraw/zinc/31/96/12/904319612.db2.gz XLLHAUHMTTVOAU-WBVHZDCISA-N 1 1 385.439 3.934 20 5 GHBDMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153021996 904321896 /nfs/dbraw/zinc/32/18/96/904321896.db2.gz QMSZFSYWIWNJMR-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)c2c1 ZINC000773256425 904619724 /nfs/dbraw/zinc/61/97/24/904619724.db2.gz KMIJHYXAADPMPT-UONOGXRCSA-N 1 1 377.466 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)c2c1 ZINC000773256425 904619730 /nfs/dbraw/zinc/61/97/30/904619730.db2.gz KMIJHYXAADPMPT-UONOGXRCSA-N 1 1 377.466 3.968 20 5 GHBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC[C@@H]21 ZINC001171813604 905071639 /nfs/dbraw/zinc/07/16/39/905071639.db2.gz BLCPMOXFKNKPNV-JXFKEZNVSA-N 1 1 397.500 3.912 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583330 921162158 /nfs/dbraw/zinc/16/21/58/921162158.db2.gz UBZRENVSUOCLAK-LEWJYISDSA-N 1 1 383.492 3.519 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583330 921162164 /nfs/dbraw/zinc/16/21/64/921162164.db2.gz UBZRENVSUOCLAK-LEWJYISDSA-N 1 1 383.492 3.519 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000176268521 905803179 /nfs/dbraw/zinc/80/31/79/905803179.db2.gz DUKHUJAUUPLKGX-ZDUSSCGKSA-N 1 1 389.839 3.894 20 5 GHBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)n1 ZINC000365818788 921185590 /nfs/dbraw/zinc/18/55/90/921185590.db2.gz HCTFIDWWSJGEPK-UHFFFAOYSA-N 1 1 389.362 3.562 20 5 GHBDMO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899679 905921519 /nfs/dbraw/zinc/92/15/19/905921519.db2.gz BSIVRBIBJDCQQZ-PZJWPPBQSA-N 1 1 382.460 3.606 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913875 905983624 /nfs/dbraw/zinc/98/36/24/905983624.db2.gz VDQKHCHYUQMIPQ-UTKZUKDTSA-N 1 1 393.487 3.689 20 5 GHBDMO CCC[N@@H+](C1CCOCC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173016235 906093957 /nfs/dbraw/zinc/09/39/57/906093957.db2.gz AHGKRTUPAPQJGQ-UHFFFAOYSA-N 1 1 383.439 3.733 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](CCN(C)C)Cc2ccccc2)c1F ZINC001173185953 906266021 /nfs/dbraw/zinc/26/60/21/906266021.db2.gz QGGHLEHCJILOSL-INIZCTEOSA-N 1 1 389.471 3.737 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](CCN(C)C)Cc2ccccc2)c1F ZINC001173185953 906266037 /nfs/dbraw/zinc/26/60/37/906266037.db2.gz QGGHLEHCJILOSL-INIZCTEOSA-N 1 1 389.471 3.737 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c1F ZINC001173191287 906273091 /nfs/dbraw/zinc/27/30/91/906273091.db2.gz BJZQDJZNQYTWME-KBPBESRZSA-N 1 1 396.459 3.727 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c1F ZINC001173192077 906276180 /nfs/dbraw/zinc/27/61/80/906276180.db2.gz HZYLEBOUPCUDLV-KBPBESRZSA-N 1 1 396.459 3.870 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2cn3ccc(C)cc3n2)c1F ZINC001173192998 906277197 /nfs/dbraw/zinc/27/71/97/906277197.db2.gz NPDFHPOTPIBXAO-CQSZACIVSA-N 1 1 386.427 3.762 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)Cc2cn3ccc(C)cc3n2)c1F ZINC001173192998 906277214 /nfs/dbraw/zinc/27/72/14/906277214.db2.gz NPDFHPOTPIBXAO-CQSZACIVSA-N 1 1 386.427 3.762 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCO3)c1F ZINC001173195398 906281920 /nfs/dbraw/zinc/28/19/20/906281920.db2.gz FMDCTOSLOQUIDY-LBPRGKRZSA-N 1 1 376.384 3.534 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173221427 906299665 /nfs/dbraw/zinc/29/96/65/906299665.db2.gz IIXRFYMJZAVSFK-CRAIPNDOSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001173221772 906299807 /nfs/dbraw/zinc/29/98/07/906299807.db2.gz MBZKMFSYYAMRFG-IDZYALCFSA-N 1 1 388.508 3.964 20 5 GHBDMO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)O1 ZINC001173223871 906305348 /nfs/dbraw/zinc/30/53/48/906305348.db2.gz DOUCGCLEGRYVGB-LLUDDFSJSA-N 1 1 376.497 3.820 20 5 GHBDMO Cc1cccc(N2C[C@]3(CC[N@H+]([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C3)CC2=O)c1 ZINC001173223798 906305823 /nfs/dbraw/zinc/30/58/23/906305823.db2.gz CRPNZWXZOFGVGX-WZONZLPQSA-N 1 1 393.487 3.963 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001173233430 906320479 /nfs/dbraw/zinc/32/04/79/906320479.db2.gz WNOMMNPRETWAHS-RKVPGOIHSA-N 1 1 377.485 3.903 20 5 GHBDMO CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173238105 906348096 /nfs/dbraw/zinc/34/80/96/906348096.db2.gz NFRHMEDDTMRGOY-CVDCTZTESA-N 1 1 397.519 3.749 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)nc2c1 ZINC000179749285 906583214 /nfs/dbraw/zinc/58/32/14/906583214.db2.gz YBYXGJQOFQSJHG-FQEVSTJZSA-N 1 1 381.388 3.748 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)n2)c1 ZINC000181219298 906946831 /nfs/dbraw/zinc/94/68/31/906946831.db2.gz SBOUXMABCZKVLY-HNAYVOBHSA-N 1 1 394.431 3.902 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000299378133 921306109 /nfs/dbraw/zinc/30/61/09/921306109.db2.gz YPNMZHWFMHUNHT-UHFFFAOYSA-N 1 1 379.460 3.566 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182798225 907266858 /nfs/dbraw/zinc/26/68/58/907266858.db2.gz ULAAYMKNNVWDMF-LLVKDONJSA-N 1 1 382.363 3.804 20 5 GHBDMO COc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000184230209 907540664 /nfs/dbraw/zinc/54/06/64/907540664.db2.gz GDTOIDSNLFHLRU-UHFFFAOYSA-N 1 1 387.411 3.593 20 5 GHBDMO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175907985 907821743 /nfs/dbraw/zinc/82/17/43/907821743.db2.gz YSWVRAXOCKBWKR-DHZHZOJOSA-N 1 1 394.431 3.843 20 5 GHBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCCCC1 ZINC001177180577 908461679 /nfs/dbraw/zinc/46/16/79/908461679.db2.gz ZKHNKBDXWBYODX-UHFFFAOYSA-N 1 1 396.491 3.742 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193765024 908693997 /nfs/dbraw/zinc/69/39/97/908693997.db2.gz FHEZNOANPLIMNB-KRWDZBQOSA-N 1 1 399.516 3.959 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193789072 908714206 /nfs/dbraw/zinc/71/42/06/908714206.db2.gz GXQKKQHIPLJZCM-AEFFLSMTSA-N 1 1 399.516 3.714 20 5 GHBDMO C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C(C)(C)C1 ZINC001178708621 909201357 /nfs/dbraw/zinc/20/13/57/909201357.db2.gz FWCKXBFDGIRZIS-SFHVURJKSA-N 1 1 391.537 3.947 20 5 GHBDMO Cc1c([C@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)cccc1[N+](=O)[O-] ZINC000268759177 910002115 /nfs/dbraw/zinc/00/21/15/910002115.db2.gz ZCELOAZOGOAZRB-NSHDSACASA-N 1 1 379.342 3.816 20 5 GHBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](N(C)c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC001181515363 910838434 /nfs/dbraw/zinc/83/84/34/910838434.db2.gz TZCSAWIEBKVHHC-GOSISDBHSA-N 1 1 385.464 3.718 20 5 GHBDMO COc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)ccc1S(C)(=O)=O ZINC000271541465 910949726 /nfs/dbraw/zinc/94/97/26/910949726.db2.gz UJNSEEMUTBIVMK-NSHDSACASA-N 1 1 398.868 3.511 20 5 GHBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC001187080689 915022385 /nfs/dbraw/zinc/02/23/85/915022385.db2.gz DBTOHAUCCPPBNZ-KRWDZBQOSA-N 1 1 378.432 3.838 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC001187080689 915022404 /nfs/dbraw/zinc/02/24/04/915022404.db2.gz DBTOHAUCCPPBNZ-KRWDZBQOSA-N 1 1 378.432 3.838 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303828004 915157839 /nfs/dbraw/zinc/15/78/39/915157839.db2.gz LAOVVYGWIDRGLZ-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000294459118 916814552 /nfs/dbraw/zinc/81/45/52/916814552.db2.gz GFHYMJURZYQNAE-UHFFFAOYSA-N 1 1 376.400 3.712 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000294459118 916814566 /nfs/dbraw/zinc/81/45/66/916814566.db2.gz GFHYMJURZYQNAE-UHFFFAOYSA-N 1 1 376.400 3.712 20 5 GHBDMO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2c(c1)CC(=O)N2C ZINC000775349532 917114278 /nfs/dbraw/zinc/11/42/78/917114278.db2.gz DXOVXHQWVNMUCF-ZDUSSCGKSA-N 1 1 392.415 3.620 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000296710057 918608114 /nfs/dbraw/zinc/60/81/14/918608114.db2.gz LVHWHBSQSSRNSW-JTQLQIEISA-N 1 1 397.334 3.964 20 5 GHBDMO CCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000800466840 920137651 /nfs/dbraw/zinc/13/76/51/920137651.db2.gz IDQNHOQGUIZOOD-OXQOHEQNSA-N 1 1 385.464 3.758 20 5 GHBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000901135944 920860878 /nfs/dbraw/zinc/86/08/78/920860878.db2.gz SGPLIDZLGNIHNI-JOYOIKCWSA-N 1 1 390.242 3.597 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000298811885 920950289 /nfs/dbraw/zinc/95/02/89/920950289.db2.gz AJLRDASDTORUEC-LBPRGKRZSA-N 1 1 392.481 3.698 20 5 GHBDMO O=C1Nc2ccccc2[C@H]1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000370236904 923977501 /nfs/dbraw/zinc/97/75/01/923977501.db2.gz RZZZGLXMBSCBCZ-HXUWFJFHSA-N 1 1 392.415 3.684 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000725800940 926446179 /nfs/dbraw/zinc/44/61/79/926446179.db2.gz VFSUVBQEZLEPON-UHFFFAOYSA-N 1 1 375.469 3.959 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000726601886 926755768 /nfs/dbraw/zinc/75/57/68/926755768.db2.gz SYYGCOXEHYXBRS-CRAIPNDOSA-N 1 1 393.484 3.741 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000726972785 926964781 /nfs/dbraw/zinc/96/47/81/926964781.db2.gz FBICUWUVHGSGJK-UNMCSNQZSA-N 1 1 397.475 3.820 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001941 926995047 /nfs/dbraw/zinc/99/50/47/926995047.db2.gz RPKXNKYXUAFATF-OXQOHEQNSA-N 1 1 395.459 3.776 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001941 926995052 /nfs/dbraw/zinc/99/50/52/926995052.db2.gz RPKXNKYXUAFATF-OXQOHEQNSA-N 1 1 395.459 3.776 20 5 GHBDMO O=C(c1ccccc1)N1CC[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000374852863 927603584 /nfs/dbraw/zinc/60/35/84/927603584.db2.gz DGXCXRBVDNNYJU-QGZVFWFLSA-N 1 1 379.460 3.722 20 5 GHBDMO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374917679 927697624 /nfs/dbraw/zinc/69/76/24/927697624.db2.gz VLLBGLWUVUGRFQ-UHFFFAOYSA-N 1 1 387.411 3.593 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC(c4ccc(F)cc4)CC3)n2)cc1 ZINC000751958147 928510209 /nfs/dbraw/zinc/51/02/09/928510209.db2.gz ATYQHWUCJARJMJ-UHFFFAOYSA-N 1 1 381.411 3.830 20 5 GHBDMO COCC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467272284 928900869 /nfs/dbraw/zinc/90/08/69/928900869.db2.gz AKXDVBRKNQBFMA-ZIAGYGMSSA-N 1 1 383.876 3.714 20 5 GHBDMO COCC[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467272284 928900873 /nfs/dbraw/zinc/90/08/73/928900873.db2.gz AKXDVBRKNQBFMA-ZIAGYGMSSA-N 1 1 383.876 3.714 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000544393497 929127091 /nfs/dbraw/zinc/12/70/91/929127091.db2.gz SOMDHMSEZGHIRY-NVXWUHKLSA-N 1 1 377.448 3.861 20 5 GHBDMO O=C(CC[N@@H+](Cc1cccc(F)c1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000753914561 929589408 /nfs/dbraw/zinc/58/94/08/929589408.db2.gz HXEZPNXVBYMXOF-UHFFFAOYSA-N 1 1 375.375 3.866 20 5 GHBDMO CC[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757097607 929637195 /nfs/dbraw/zinc/63/71/95/929637195.db2.gz COWKZGFDHUVOAV-CZUORRHYSA-N 1 1 381.448 3.859 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757097607 929637198 /nfs/dbraw/zinc/63/71/98/929637198.db2.gz COWKZGFDHUVOAV-CZUORRHYSA-N 1 1 381.448 3.859 20 5 GHBDMO O=C(OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)c1ccccc1[N+](=O)[O-] ZINC000757892261 929841869 /nfs/dbraw/zinc/84/18/69/929841869.db2.gz SWMSFCVHUXKJNP-CQSZACIVSA-N 1 1 390.386 3.942 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000470178281 930435184 /nfs/dbraw/zinc/43/51/84/930435184.db2.gz XUSLERIDDGVCAB-VKAVYKQESA-N 1 1 397.450 3.985 20 5 GHBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000470178281 930435185 /nfs/dbraw/zinc/43/51/85/930435185.db2.gz XUSLERIDDGVCAB-VKAVYKQESA-N 1 1 397.450 3.985 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000470203881 930450302 /nfs/dbraw/zinc/45/03/02/930450302.db2.gz FUNGPWHDZXBQJL-UOCRBVKVSA-N 1 1 395.503 3.567 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000470203881 930450308 /nfs/dbraw/zinc/45/03/08/930450308.db2.gz FUNGPWHDZXBQJL-UOCRBVKVSA-N 1 1 395.503 3.567 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000470203881 930450313 /nfs/dbraw/zinc/45/03/13/930450313.db2.gz FUNGPWHDZXBQJL-UOCRBVKVSA-N 1 1 395.503 3.567 20 5 GHBDMO Cc1cccc(OCCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000780762318 930592706 /nfs/dbraw/zinc/59/27/06/930592706.db2.gz GBUZTCQLBPHLFN-HXUWFJFHSA-N 1 1 380.448 3.785 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000470614253 930752072 /nfs/dbraw/zinc/75/20/72/930752072.db2.gz QBZBUDZPOHUQMG-HNNXBMFYSA-N 1 1 393.447 3.692 20 5 GHBDMO CN(C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(=O)OC(C)(C)C ZINC000782473075 931234774 /nfs/dbraw/zinc/23/47/74/931234774.db2.gz RUDNVVZZHOWSHX-ZDUSSCGKSA-N 1 1 383.876 3.937 20 5 GHBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(=O)OC(C)(C)C ZINC000782473075 931234779 /nfs/dbraw/zinc/23/47/79/931234779.db2.gz RUDNVVZZHOWSHX-ZDUSSCGKSA-N 1 1 383.876 3.937 20 5 GHBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000557483685 931463919 /nfs/dbraw/zinc/46/39/19/931463919.db2.gz RFYWXYHCJQVVMA-UHFFFAOYSA-N 1 1 392.390 3.944 20 5 GHBDMO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000784030348 931760932 /nfs/dbraw/zinc/76/09/32/931760932.db2.gz PCHYNINWKLKWKS-SFHVURJKSA-N 1 1 377.448 3.917 20 5 GHBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2)C1 ZINC000558032880 931808584 /nfs/dbraw/zinc/80/85/84/931808584.db2.gz KDAMEHVGEWNSTB-NRFANRHFSA-N 1 1 397.500 3.914 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000784504589 931916137 /nfs/dbraw/zinc/91/61/37/931916137.db2.gz AHDVIHWJKFWXTR-QANKJYHBSA-N 1 1 393.459 3.859 20 5 GHBDMO Cn1c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 ZINC000558740419 932204513 /nfs/dbraw/zinc/20/45/13/932204513.db2.gz JAFOLDZKTBTCFW-UHFFFAOYSA-N 1 1 385.855 3.718 20 5 GHBDMO Cn1c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 ZINC000558740419 932204517 /nfs/dbraw/zinc/20/45/17/932204517.db2.gz JAFOLDZKTBTCFW-UHFFFAOYSA-N 1 1 385.855 3.718 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](NC[C@H]2CC[N@@H+]2C2CCOCC2)c2ccccc2)c1 ZINC000927104569 932413410 /nfs/dbraw/zinc/41/34/10/932413410.db2.gz NMTUNLKKOZFKAJ-FGZHOGPDSA-N 1 1 381.476 3.527 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](NC[C@H]2CC[N@H+]2C2CCOCC2)c2ccccc2)c1 ZINC000927104569 932413415 /nfs/dbraw/zinc/41/34/15/932413415.db2.gz NMTUNLKKOZFKAJ-FGZHOGPDSA-N 1 1 381.476 3.527 20 5 GHBDMO CCc1ccc([C@H](NC[C@@H]2CC[N@H+]2C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000927105883 932414292 /nfs/dbraw/zinc/41/42/92/932414292.db2.gz VSTDLPRWFWAJRU-SIKLNZKXSA-N 1 1 399.491 3.683 20 5 GHBDMO CCc1ccc([C@H]([NH2+]C[C@@H]2CCN2C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000927105883 932414295 /nfs/dbraw/zinc/41/42/95/932414295.db2.gz VSTDLPRWFWAJRU-SIKLNZKXSA-N 1 1 399.491 3.683 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000559300421 932585976 /nfs/dbraw/zinc/58/59/76/932585976.db2.gz RMPPXJRVYDQCSF-AWEZNQCLSA-N 1 1 387.411 3.561 20 5 GHBDMO C[C@@]1(CNC(=O)CSc2ccccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000798523466 932688336 /nfs/dbraw/zinc/68/83/36/932688336.db2.gz KRMLNQXUFITJHU-NRFANRHFSA-N 1 1 399.516 3.715 20 5 GHBDMO COc1cc(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000798527230 932690387 /nfs/dbraw/zinc/69/03/87/932690387.db2.gz QGPLPSFESMTZOT-QFIPXVFZSA-N 1 1 397.475 3.554 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799361828 932970534 /nfs/dbraw/zinc/97/05/34/932970534.db2.gz IDRBFPQKNBZHFB-OAHLLOKOSA-N 1 1 393.484 3.730 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC001116168605 933377030 /nfs/dbraw/zinc/37/70/30/933377030.db2.gz ZERAHMVIPRMHTD-HNNXBMFYSA-N 1 1 398.463 3.609 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](c3nc4ccccc4[nH]3)C1)OCCO2 ZINC001116439956 933558512 /nfs/dbraw/zinc/55/85/12/933558512.db2.gz ZQPUTTYLKSFZQB-AWEZNQCLSA-N 1 1 394.431 3.622 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001116505027 933598047 /nfs/dbraw/zinc/59/80/47/933598047.db2.gz AOLDYROMTMKDSN-QWHCGFSZSA-N 1 1 390.452 3.963 20 5 GHBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1c2ccccc2cc2ccccc21 ZINC001116653957 933685544 /nfs/dbraw/zinc/68/55/44/933685544.db2.gz GYKWMTFAGYFUFW-SFHVURJKSA-N 1 1 375.516 3.749 20 5 GHBDMO CCc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000561380618 934098251 /nfs/dbraw/zinc/09/82/51/934098251.db2.gz DRLIKCYNDMQOTO-DFNIBXOVSA-N 1 1 381.480 3.676 20 5 GHBDMO COc1cc(C)c(C[N@H+](C)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1OC ZINC000777950160 934342438 /nfs/dbraw/zinc/34/24/38/934342438.db2.gz HIDRXEVIUOEXAE-UHFFFAOYSA-N 1 1 396.447 3.873 20 5 GHBDMO COc1cc(C)c(C[N@@H+](C)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1OC ZINC000777950160 934342449 /nfs/dbraw/zinc/34/24/49/934342449.db2.gz HIDRXEVIUOEXAE-UHFFFAOYSA-N 1 1 396.447 3.873 20 5 GHBDMO C[C@@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562401005 934851651 /nfs/dbraw/zinc/85/16/51/934851651.db2.gz NFASQXRYOFXTPF-FOUBCARRSA-N 1 1 395.503 3.971 20 5 GHBDMO CCN(C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001123371901 935172451 /nfs/dbraw/zinc/17/24/51/935172451.db2.gz FRDORPWUIDWEBR-QGZVFWFLSA-N 1 1 398.463 3.732 20 5 GHBDMO CCc1nc(CN2CC[NH+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000470180107 1016744709 /nfs/dbraw/zinc/74/47/09/1016744709.db2.gz IDFGFVFYWFZFSC-WJDWOHSUSA-N 1 1 386.521 3.835 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001227296850 1032359710 /nfs/dbraw/zinc/35/97/10/1032359710.db2.gz BESGBUUVENKKGO-KXBFYZLASA-N 1 1 384.432 3.671 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001227364456 1032390446 /nfs/dbraw/zinc/39/04/46/1032390446.db2.gz PIEXTKFHBJVMKH-KRWDZBQOSA-N 1 1 395.806 3.888 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc([N+](=O)[O-])ccc3C)C2)s1 ZINC000560483554 1017639945 /nfs/dbraw/zinc/63/99/45/1017639945.db2.gz JIQGDOLZXDBMPK-MRXNPFEDSA-N 1 1 387.505 3.867 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)c1 ZINC000932250744 1018157856 /nfs/dbraw/zinc/15/78/56/1018157856.db2.gz DTGGXLODPUORNJ-SJORKVTESA-N 1 1 392.253 3.623 20 5 GHBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2cncc(Br)c2)c1 ZINC000932250744 1018157861 /nfs/dbraw/zinc/15/78/61/1018157861.db2.gz DTGGXLODPUORNJ-SJORKVTESA-N 1 1 392.253 3.623 20 5 GHBDMO CC1(C)CCC[N@@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001155876850 1032756721 /nfs/dbraw/zinc/75/67/21/1032756721.db2.gz GDUMRHKVRYLKCV-UHFFFAOYSA-N 1 1 385.917 3.579 20 5 GHBDMO COc1cc(C)nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1[N+](=O)[O-] ZINC001156317265 1032980576 /nfs/dbraw/zinc/98/05/76/1032980576.db2.gz KUHODGOBXVCURM-FGTMMUONSA-N 1 1 382.464 3.629 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1Cl ZINC000802659455 1021517484 /nfs/dbraw/zinc/51/74/84/1021517484.db2.gz OVXCBTXSNJJRPL-UHFFFAOYSA-N 1 1 383.839 3.994 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nc1 ZINC000748815913 1021722703 /nfs/dbraw/zinc/72/27/03/1021722703.db2.gz AKCFXHSWPSKYEH-CQSZACIVSA-N 1 1 388.855 3.802 20 5 GHBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nc1 ZINC000748815913 1021722716 /nfs/dbraw/zinc/72/27/16/1021722716.db2.gz AKCFXHSWPSKYEH-CQSZACIVSA-N 1 1 388.855 3.802 20 5 GHBDMO O=[N+]([O-])c1cccc2ccc(NCc3ccc(C[NH+]4CCOCC4)cc3)nc21 ZINC001156389471 1033012959 /nfs/dbraw/zinc/01/29/59/1033012959.db2.gz UFUWWXPZIFPQAY-UHFFFAOYSA-N 1 1 378.432 3.587 20 5 GHBDMO C[C@@]1(CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1(Cl)Cl ZINC000835456825 1022157432 /nfs/dbraw/zinc/15/74/32/1022157432.db2.gz DTQFKPGXYDKUCP-GOEBONIOSA-N 1 1 387.263 3.686 20 5 GHBDMO C[C@@]1(CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1(Cl)Cl ZINC000835456825 1022157438 /nfs/dbraw/zinc/15/74/38/1022157438.db2.gz DTQFKPGXYDKUCP-GOEBONIOSA-N 1 1 387.263 3.686 20 5 GHBDMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000754099632 1022481518 /nfs/dbraw/zinc/48/15/18/1022481518.db2.gz WZUUHSQMQDSJTO-DHUIEDIVSA-N 1 1 397.450 3.980 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000755066255 1023057296 /nfs/dbraw/zinc/05/72/96/1023057296.db2.gz PJURCXVOKCPGBR-ZBFHGGJFSA-N 1 1 393.484 3.871 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000755494085 1023271807 /nfs/dbraw/zinc/27/18/07/1023271807.db2.gz NLORVSZZDJOXLT-VJTMMXLYSA-N 1 1 379.460 3.777 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000836780107 1023361961 /nfs/dbraw/zinc/36/19/61/1023361961.db2.gz WEVXBAWFGRCQAG-GUYCJALGSA-N 1 1 377.872 3.646 20 5 GHBDMO COc1ccc(C(=O)O[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000755869313 1023410221 /nfs/dbraw/zinc/41/02/21/1023410221.db2.gz HQTZEMRICWVBPQ-MAUKXSAKSA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001228968373 1033206742 /nfs/dbraw/zinc/20/67/42/1033206742.db2.gz YCNICERWJLGOFN-WDNDVIMCSA-N 1 1 382.844 3.817 20 5 GHBDMO COC(=O)c1c(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001229049487 1033250651 /nfs/dbraw/zinc/25/06/51/1033250651.db2.gz BQEWHJXFYXQZCX-OAHLLOKOSA-N 1 1 390.823 3.688 20 5 GHBDMO COc1ccc(C[NH+]2CCC(Oc3ccc(Cl)cn3)CC2)cc1[N+](=O)[O-] ZINC000839192787 1025713639 /nfs/dbraw/zinc/71/36/39/1025713639.db2.gz NTWJKMUUJDXQTB-UHFFFAOYSA-N 1 1 377.828 3.695 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001162355746 1025723834 /nfs/dbraw/zinc/72/38/34/1025723834.db2.gz JEBXBPNAEMGDOL-GFCCVEGCSA-N 1 1 383.876 3.957 20 5 GHBDMO COC(=O)/C=C/c1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001162545847 1025788022 /nfs/dbraw/zinc/78/80/22/1025788022.db2.gz WBJDITSLLHURNF-RDELFYGPSA-N 1 1 395.459 3.858 20 5 GHBDMO CC[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001162723864 1025892725 /nfs/dbraw/zinc/89/27/25/1025892725.db2.gz BDFUODBMHSUHAZ-RTBURBONSA-N 1 1 391.418 3.965 20 5 GHBDMO CC[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001162723864 1025892745 /nfs/dbraw/zinc/89/27/45/1025892745.db2.gz BDFUODBMHSUHAZ-RTBURBONSA-N 1 1 391.418 3.965 20 5 GHBDMO O=[N+]([O-])c1cc(-c2ccc(NCC[C@H]3CC[NH2+]CC3(F)F)nn2)ccc1Cl ZINC001162813721 1025926959 /nfs/dbraw/zinc/92/69/59/1025926959.db2.gz AXUUXQPGXAAKKE-GFCCVEGCSA-N 1 1 397.813 3.752 20 5 GHBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1Br ZINC000839503159 1025989873 /nfs/dbraw/zinc/98/98/73/1025989873.db2.gz RAMHPHKPQJZJJR-OAHLLOKOSA-N 1 1 399.285 3.517 20 5 GHBDMO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1c(C)nn(C)c1C ZINC000839550577 1026048239 /nfs/dbraw/zinc/04/82/39/1026048239.db2.gz GDJPBQQOMQBCPJ-CYBMUJFWSA-N 1 1 381.274 3.949 20 5 GHBDMO C[N@@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2Br)[C@H]1c1ccccc1 ZINC000839593989 1026094842 /nfs/dbraw/zinc/09/48/42/1026094842.db2.gz OTBOCUZBDBJDFS-CRAIPNDOSA-N 1 1 390.281 3.892 20 5 GHBDMO C[N@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2Br)[C@H]1c1ccccc1 ZINC000839593989 1026094862 /nfs/dbraw/zinc/09/48/62/1026094862.db2.gz OTBOCUZBDBJDFS-CRAIPNDOSA-N 1 1 390.281 3.892 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](Nc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC001163371384 1026164656 /nfs/dbraw/zinc/16/46/56/1026164656.db2.gz PIASTCHFMWNUDZ-BDAKNGLRSA-N 1 1 381.786 3.588 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)c3c(Cl)cncc3[N+](=O)[O-])C2)s1 ZINC001163642573 1026263795 /nfs/dbraw/zinc/26/37/95/1026263795.db2.gz GXKOFVIUPHDNSA-ZDUSSCGKSA-N 1 1 380.901 3.971 20 5 GHBDMO O=[N+]([O-])c1cnc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c(F)c1 ZINC001166572381 1027030333 /nfs/dbraw/zinc/03/03/33/1027030333.db2.gz VZDYNXCWZUGTHW-UHFFFAOYSA-N 1 1 387.802 3.657 20 5 GHBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cc(-c3ccccn3)n[nH]2)cc(C(F)(F)F)c1 ZINC001461487447 1069573083 /nfs/dbraw/zinc/57/30/83/1069573083.db2.gz XBZGKRVYGDOLIJ-UHFFFAOYSA-N 1 1 377.326 3.689 20 5 GHBDMO C[N@H+]1C[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](c2ccccc2)C1 ZINC001143053691 1029816971 /nfs/dbraw/zinc/81/69/71/1029816971.db2.gz BLAXYUBEIGOYFB-AEFFLSMTSA-N 1 1 395.484 3.885 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001222777263 1030304733 /nfs/dbraw/zinc/30/47/33/1030304733.db2.gz GXGZNFQJZWVOQO-JKSUJKDBSA-N 1 1 399.447 3.519 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001461675090 1069671947 /nfs/dbraw/zinc/67/19/47/1069671947.db2.gz CITCBRSTAZCDNP-NWDGAFQWSA-N 1 1 380.338 3.915 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cnc2cc[nH]c2c1 ZINC001150906995 1030704099 /nfs/dbraw/zinc/70/40/99/1030704099.db2.gz NUJVEZVSQIVJGR-UHFFFAOYSA-N 1 1 397.438 3.820 20 5 GHBDMO COC(=O)c1cc(CO[C@@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)cc([N+](=O)[O-])c1 ZINC001223692220 1030706867 /nfs/dbraw/zinc/70/68/67/1030706867.db2.gz ZGWRNDYTBXIAGT-HNAYVOBHSA-N 1 1 399.447 3.519 20 5 GHBDMO CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@@H](C)C1C[NH2+]C1 ZINC001218198321 1030820153 /nfs/dbraw/zinc/82/01/53/1030820153.db2.gz HIHJUCDSZCXMBO-ZDUSSCGKSA-N 1 1 395.455 3.853 20 5 GHBDMO CCOC(=O)c1ccc(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC001223967155 1030833016 /nfs/dbraw/zinc/83/30/16/1030833016.db2.gz UQHAJYUDPNSBFL-PIIMJCKOSA-N 1 1 376.453 3.692 20 5 GHBDMO O=[N+]([O-])c1ccc(CO[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001224102541 1030885613 /nfs/dbraw/zinc/88/56/13/1030885613.db2.gz ZFOSULJEZABZQW-KRWDZBQOSA-N 1 1 391.811 3.948 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4CC[C@H]5C[NH2+]C[C@@H]54)ccc3c21 ZINC001218471812 1030951835 /nfs/dbraw/zinc/95/18/35/1030951835.db2.gz ILUQEQLJGVYSLS-MZPVMMEZSA-N 1 1 377.396 3.775 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001225451797 1031422173 /nfs/dbraw/zinc/42/21/73/1031422173.db2.gz UUOOMZWIEGIINZ-MRXNPFEDSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001225451797 1031422183 /nfs/dbraw/zinc/42/21/83/1031422183.db2.gz UUOOMZWIEGIINZ-MRXNPFEDSA-N 1 1 390.823 3.688 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001225593824 1031495446 /nfs/dbraw/zinc/49/54/46/1031495446.db2.gz AGLDBKPQNOHABS-GJZGRUSLSA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001225593824 1031495464 /nfs/dbraw/zinc/49/54/64/1031495464.db2.gz AGLDBKPQNOHABS-GJZGRUSLSA-N 1 1 386.408 3.811 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2COCC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC001225919401 1031693634 /nfs/dbraw/zinc/69/36/34/1031693634.db2.gz TYDNKEYYVUZUHJ-MRXNPFEDSA-N 1 1 396.365 3.893 20 5 GHBDMO O=[N+]([O-])c1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)cc1F ZINC001226181518 1031836768 /nfs/dbraw/zinc/83/67/68/1031836768.db2.gz QALVLHKRUIBJMK-OAHLLOKOSA-N 1 1 378.375 3.543 20 5 GHBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001157017243 1033372914 /nfs/dbraw/zinc/37/29/14/1033372914.db2.gz LHPOPSANCBZIAB-BRWVUGGUSA-N 1 1 390.528 3.536 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC001205503738 1033443348 /nfs/dbraw/zinc/44/33/48/1033443348.db2.gz HPNQZVZCFREAMF-UHFFFAOYSA-N 1 1 382.386 3.821 20 5 GHBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001229898657 1033781230 /nfs/dbraw/zinc/78/12/30/1033781230.db2.gz CDDAJPPWCIGOPN-QFBILLFUSA-N 1 1 398.459 3.979 20 5 GHBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001229899607 1033782895 /nfs/dbraw/zinc/78/28/95/1033782895.db2.gz NAHXREFKSLYRCZ-HOTGVXAUSA-N 1 1 399.447 3.689 20 5 GHBDMO Cc1ccc(O[C@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230490492 1034087350 /nfs/dbraw/zinc/08/73/50/1034087350.db2.gz BRKMAVQVVAWNMR-GJZGRUSLSA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1ccc(O[C@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230490492 1034087363 /nfs/dbraw/zinc/08/73/63/1034087363.db2.gz BRKMAVQVVAWNMR-GJZGRUSLSA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1c(Br)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ncc1[N+](=O)[O-] ZINC001231096262 1034395466 /nfs/dbraw/zinc/39/54/66/1034395466.db2.gz YHVFXPOJAFLMGZ-ITGUQSILSA-N 1 1 384.274 3.843 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001461916900 1069879844 /nfs/dbraw/zinc/87/98/44/1069879844.db2.gz QPVWWUDCEPCZNR-XMJIKXADSA-N 1 1 379.460 3.893 20 5 GHBDMO CC(C)(NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001159789171 1034742121 /nfs/dbraw/zinc/74/21/21/1034742121.db2.gz QWROCEBLGCKWER-IBGZPJMESA-N 1 1 395.503 3.901 20 5 GHBDMO COc1ccc(F)cc1C[NH+]1CCC(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001161153574 1035162049 /nfs/dbraw/zinc/16/20/49/1035162049.db2.gz WSJLISHDNVAGTE-UHFFFAOYSA-N 1 1 399.426 3.695 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@]1(O)C(F)(F)F ZINC001232218283 1035167959 /nfs/dbraw/zinc/16/79/59/1035167959.db2.gz FNGJZPSURXBQPZ-YJYMSZOUSA-N 1 1 375.394 3.918 20 5 GHBDMO C[N@@H+](C1CCOCC1)C1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232221902 1035170264 /nfs/dbraw/zinc/17/02/64/1035170264.db2.gz GEHBVWYVKHNTTP-UHFFFAOYSA-N 1 1 390.531 3.858 20 5 GHBDMO CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)CC[C@@H]21 ZINC001232222777 1035170299 /nfs/dbraw/zinc/17/02/99/1035170299.db2.gz QNJRYCMXOWKEQG-FPOVZHCZSA-N 1 1 388.515 3.862 20 5 GHBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3ccc4ccc([N+](=O)[O-])cc4n3)C2)c1 ZINC001161188115 1035171483 /nfs/dbraw/zinc/17/14/83/1035171483.db2.gz PGVUOPXKKAAFPX-KRWDZBQOSA-N 1 1 378.432 3.838 20 5 GHBDMO CCOc1cccc(N2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)n1 ZINC001232226304 1035172433 /nfs/dbraw/zinc/17/24/33/1035172433.db2.gz UEBPDWSXYGKJSE-UHFFFAOYSA-N 1 1 399.498 3.899 20 5 GHBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1)N1CCCC1 ZINC001232228664 1035172758 /nfs/dbraw/zinc/17/27/58/1035172758.db2.gz UFDVHZFUYWESDU-LJQANCHMSA-N 1 1 389.503 3.553 20 5 GHBDMO C[C@H]1C[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001461984805 1069930211 /nfs/dbraw/zinc/93/02/11/1069930211.db2.gz XFIBGMREGIHMJJ-HOTGVXAUSA-N 1 1 389.496 3.989 20 5 GHBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001248207287 1035638280 /nfs/dbraw/zinc/63/82/80/1035638280.db2.gz CFRTUFVCILNZNB-MRXNPFEDSA-N 1 1 377.360 3.542 20 5 GHBDMO Cc1nc(Nc2ccc([N+](=O)[O-])cc2Cl)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001248598359 1035981690 /nfs/dbraw/zinc/98/16/90/1035981690.db2.gz MERWQLMWPGGRME-PHIMTYICSA-N 1 1 377.832 3.704 20 5 GHBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001462123070 1070014152 /nfs/dbraw/zinc/01/41/52/1070014152.db2.gz YQQZYHBBDUYGSE-LJQANCHMSA-N 1 1 397.475 3.535 20 5 GHBDMO O[C@]1(CNc2cc3cccnc3c3ncccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC001252936485 1039275082 /nfs/dbraw/zinc/27/50/82/1039275082.db2.gz BINVYVKYWSFQIP-DEOSSOPVSA-N 1 1 384.483 3.832 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001233707809 1039556231 /nfs/dbraw/zinc/55/62/31/1039556231.db2.gz MAISYHACSFWNCB-HNNXBMFYSA-N 1 1 375.356 3.686 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001233707809 1039556259 /nfs/dbraw/zinc/55/62/59/1039556259.db2.gz MAISYHACSFWNCB-HNNXBMFYSA-N 1 1 375.356 3.686 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001233979751 1039740945 /nfs/dbraw/zinc/74/09/45/1039740945.db2.gz CANUKGBBEWDRRW-VGOFRKELSA-N 1 1 384.476 3.804 20 5 GHBDMO COC(=O)c1ccc(O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cc1[N+](=O)[O-] ZINC001234048237 1039784008 /nfs/dbraw/zinc/78/40/08/1039784008.db2.gz HHHVBJQNKYBSFK-FOIQADDNSA-N 1 1 384.432 3.671 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC[C@@H](Oc4ccncc4)C3)CC2)cc1 ZINC001254482055 1040269677 /nfs/dbraw/zinc/26/96/77/1040269677.db2.gz HOLGRDZALRLANQ-OAQYLSRUSA-N 1 1 382.464 3.502 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC001254561690 1040335070 /nfs/dbraw/zinc/33/50/70/1040335070.db2.gz IIHVUMACPAAVTM-OAHLLOKOSA-N 1 1 382.489 3.958 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594344 1040368257 /nfs/dbraw/zinc/36/82/57/1040368257.db2.gz QBDVBAWNZWLKGH-NQIIRXRSSA-N 1 1 387.480 3.537 20 5 GHBDMO CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612807 1040384890 /nfs/dbraw/zinc/38/48/90/1040384890.db2.gz ZEMQBJOJCOYCIP-BEFAXECRSA-N 1 1 389.496 3.641 20 5 GHBDMO c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CCCO[C@@]2(CNCCOC2)C1 ZINC001235197733 1040687141 /nfs/dbraw/zinc/68/71/41/1040687141.db2.gz BWIGLGAUZWRPQJ-DEOSSOPVSA-N 1 1 376.500 3.574 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)cnc1-c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255462866 1041065203 /nfs/dbraw/zinc/06/52/03/1041065203.db2.gz GJESPFQMZKLQTD-CYBMUJFWSA-N 1 1 385.811 3.683 20 5 GHBDMO COc1cccc2c1C[N@H+](C1CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC1)C2 ZINC001256102151 1041528829 /nfs/dbraw/zinc/52/88/29/1041528829.db2.gz XNUXSPSPZRYWNQ-UHFFFAOYSA-N 1 1 383.448 3.597 20 5 GHBDMO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001291928350 1043534444 /nfs/dbraw/zinc/53/44/44/1043534444.db2.gz IJXKAHUWZSHCIL-LEWJYISDSA-N 1 1 385.508 3.813 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC001292151063 1043605771 /nfs/dbraw/zinc/60/57/71/1043605771.db2.gz KVSQACCZEMKZNA-UHFFFAOYSA-N 1 1 398.301 3.660 20 5 GHBDMO CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001294594925 1044718358 /nfs/dbraw/zinc/71/83/58/1044718358.db2.gz RAGTXRXMEOPGQE-INIZCTEOSA-N 1 1 398.511 3.574 20 5 GHBDMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC1 ZINC001296087438 1045250435 /nfs/dbraw/zinc/25/04/35/1045250435.db2.gz GMCJBLOMCPICMO-LJQANCHMSA-N 1 1 398.511 3.716 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)CC[NH2+]2)cc1 ZINC001297009187 1045423661 /nfs/dbraw/zinc/42/36/61/1045423661.db2.gz CWKJEVZUBVNZQH-OAQYLSRUSA-N 1 1 393.487 3.752 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001287694378 1048891553 /nfs/dbraw/zinc/89/15/53/1048891553.db2.gz RVZUTLBXHFMNOA-MAUKXSAKSA-N 1 1 393.443 3.839 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC001307458741 1049294254 /nfs/dbraw/zinc/29/42/54/1049294254.db2.gz UVIUBFIKAALTSA-HXUWFJFHSA-N 1 1 384.476 3.822 20 5 GHBDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1C ZINC001307486448 1049326625 /nfs/dbraw/zinc/32/66/25/1049326625.db2.gz GZRKDXWZKPJZNZ-NRFANRHFSA-N 1 1 379.460 3.938 20 5 GHBDMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001289686697 1049591140 /nfs/dbraw/zinc/59/11/40/1049591140.db2.gz PHGMLNJNCPGJAO-HSALFYBXSA-N 1 1 379.460 3.625 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])C1 ZINC001307803339 1049601046 /nfs/dbraw/zinc/60/10/46/1049601046.db2.gz ITXDEWXBTCHLFJ-WBVHZDCISA-N 1 1 390.484 3.601 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1OC ZINC001307912752 1049690590 /nfs/dbraw/zinc/69/05/90/1049690590.db2.gz BWMLORXWAMSXTF-LPTQZCDUSA-N 1 1 392.496 3.887 20 5 GHBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC001290400062 1049828430 /nfs/dbraw/zinc/82/84/30/1049828430.db2.gz IQNOAHNAPUYZIT-GOSISDBHSA-N 1 1 388.855 3.519 20 5 GHBDMO Cc1c(Cl)cccc1N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308140360 1049879079 /nfs/dbraw/zinc/87/90/79/1049879079.db2.gz DHJRRLXHLBCMCV-UHFFFAOYSA-N 1 1 375.856 3.758 20 5 GHBDMO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001308512051 1049994595 /nfs/dbraw/zinc/99/45/95/1049994595.db2.gz AJNMLJFDAHRNPG-UHFFFAOYSA-N 1 1 380.326 3.897 20 5 GHBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)s1 ZINC001308879857 1050136373 /nfs/dbraw/zinc/13/63/73/1050136373.db2.gz BWKCZBZEFCFZAY-AWEZNQCLSA-N 1 1 389.477 3.834 20 5 GHBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001310799796 1051599418 /nfs/dbraw/zinc/59/94/18/1051599418.db2.gz CCXPKJWTVCAHOJ-OAHLLOKOSA-N 1 1 388.855 3.953 20 5 GHBDMO CCOc1cc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001310946666 1051724834 /nfs/dbraw/zinc/72/48/34/1051724834.db2.gz QGCRGVCBFROXTQ-SFHVURJKSA-N 1 1 398.463 3.780 20 5 GHBDMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001333641457 1051794061 /nfs/dbraw/zinc/79/40/61/1051794061.db2.gz YNTCCJVGYZDSMV-FGTMMUONSA-N 1 1 397.450 3.764 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001335094000 1052032689 /nfs/dbraw/zinc/03/26/89/1052032689.db2.gz WNYNBTOAYVZHSG-MJXNMMHHSA-N 1 1 386.427 3.540 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001311888845 1052459738 /nfs/dbraw/zinc/45/97/38/1052459738.db2.gz HZQARQSAOCSZAI-MRXNPFEDSA-N 1 1 376.501 3.784 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC001344074383 1054228539 /nfs/dbraw/zinc/22/85/39/1054228539.db2.gz GJGMRWZDWCVIIZ-UHFFFAOYSA-N 1 1 375.856 3.938 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320792981 1055963288 /nfs/dbraw/zinc/96/32/88/1055963288.db2.gz MCIHDKHIRGSWOE-QFBILLFUSA-N 1 1 386.427 3.918 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320792981 1055963296 /nfs/dbraw/zinc/96/32/96/1055963296.db2.gz MCIHDKHIRGSWOE-QFBILLFUSA-N 1 1 386.427 3.918 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@]2(CCOC2)O1 ZINC001321079199 1056084105 /nfs/dbraw/zinc/08/41/05/1056084105.db2.gz HFSSWEHORVWEDD-YJYMSZOUSA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@]2(CCOC2)O1 ZINC001321079199 1056084114 /nfs/dbraw/zinc/08/41/14/1056084114.db2.gz HFSSWEHORVWEDD-YJYMSZOUSA-N 1 1 392.839 3.888 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001321241896 1056180678 /nfs/dbraw/zinc/18/06/78/1056180678.db2.gz ZRBWGESUKLETRP-WBVHZDCISA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001321241896 1056180685 /nfs/dbraw/zinc/18/06/85/1056180685.db2.gz ZRBWGESUKLETRP-WBVHZDCISA-N 1 1 377.803 3.563 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1n1ccnc1 ZINC001324150902 1057079942 /nfs/dbraw/zinc/07/99/42/1057079942.db2.gz PQLIIZQXLMMVOA-BLLLJJGKSA-N 1 1 379.258 3.637 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1n1ccnc1 ZINC001324150902 1057079945 /nfs/dbraw/zinc/07/99/45/1057079945.db2.gz PQLIIZQXLMMVOA-BLLLJJGKSA-N 1 1 379.258 3.637 20 5 GHBDMO CCCn1ccnc1CCC[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848485781 1057121896 /nfs/dbraw/zinc/12/18/96/1057121896.db2.gz WWZAFGPOQGKGJQ-UHFFFAOYSA-N 1 1 382.468 3.587 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001442268875 1058943126 /nfs/dbraw/zinc/94/31/26/1058943126.db2.gz YAPNYWTZGILNDJ-WFASDCNBSA-N 1 1 391.830 3.953 20 5 GHBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC001442445815 1058962569 /nfs/dbraw/zinc/96/25/69/1058962569.db2.gz JXKXJUJWTQDXLU-UHFFFAOYSA-N 1 1 392.258 3.987 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001454842403 1061945035 /nfs/dbraw/zinc/94/50/35/1061945035.db2.gz DZFAHGGRZKWFQL-WMLDXEAASA-N 1 1 377.510 3.653 20 5 GHBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC001435308005 1062491574 /nfs/dbraw/zinc/49/15/74/1062491574.db2.gz AKLYOQQFODKLBD-LJQANCHMSA-N 1 1 385.439 3.951 20 5 GHBDMO CC[NH+](CC)[C@@H](C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1)c1ccccc1 ZINC001435860448 1062966071 /nfs/dbraw/zinc/96/60/71/1062966071.db2.gz GCRCRRJYZRNIMF-HXUWFJFHSA-N 1 1 385.464 3.787 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccc(F)cc1 ZINC001348258470 1062969407 /nfs/dbraw/zinc/96/94/07/1062969407.db2.gz FDRQOJMSLAKMBE-RHSMWYFYSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccc(F)cc1 ZINC001348258470 1062969408 /nfs/dbraw/zinc/96/94/08/1062969408.db2.gz FDRQOJMSLAKMBE-RHSMWYFYSA-N 1 1 377.803 3.563 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC001458056475 1063532226 /nfs/dbraw/zinc/53/22/26/1063532226.db2.gz WOGTWYGDZVDPTC-UHFFFAOYSA-N 1 1 398.301 3.804 20 5 GHBDMO COC(=O)/C=C\c1ccc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001458152718 1063607340 /nfs/dbraw/zinc/60/73/40/1063607340.db2.gz PHKAPAOBRUXBPD-WKTRQSJXSA-N 1 1 375.469 3.703 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)CC[C@H]21 ZINC001458236935 1063682457 /nfs/dbraw/zinc/68/24/57/1063682457.db2.gz JVBGUZMHEPTFHD-FXAWDEMLSA-N 1 1 379.460 3.746 20 5 GHBDMO CC[N@@H+](CCCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-])C1CCCCC1 ZINC001458473810 1063832567 /nfs/dbraw/zinc/83/25/67/1063832567.db2.gz WWJMFEIIONFEEG-UHFFFAOYSA-N 1 1 377.485 3.767 20 5 GHBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc[nH+]c(N(C)C)c3)cc2[N+](=O)[O-])C1 ZINC001458491904 1063844063 /nfs/dbraw/zinc/84/40/63/1063844063.db2.gz MHIWLMODWLLFSB-GASCZTMLSA-N 1 1 397.479 3.790 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001438879599 1064129854 /nfs/dbraw/zinc/12/98/54/1064129854.db2.gz KPLFEFWGSBLSKM-IBGZPJMESA-N 1 1 394.475 3.748 20 5 GHBDMO COc1ccc(C[C@@H]2CC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC001459646628 1064154147 /nfs/dbraw/zinc/15/41/47/1064154147.db2.gz ARVBDMPKRDJQSB-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)o1 ZINC001459736195 1064192936 /nfs/dbraw/zinc/19/29/36/1064192936.db2.gz NGFOJOJBKJYYSY-SFHVURJKSA-N 1 1 394.431 3.517 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)o1 ZINC001459736195 1064192943 /nfs/dbraw/zinc/19/29/43/1064192943.db2.gz NGFOJOJBKJYYSY-SFHVURJKSA-N 1 1 394.431 3.517 20 5 GHBDMO C[C@@H]([NH2+][C@@H](c1ccc(F)cc1F)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001459839014 1064238466 /nfs/dbraw/zinc/23/84/66/1064238466.db2.gz SXJFVARSXFFNEN-ADLMAVQZSA-N 1 1 375.375 3.941 20 5 GHBDMO C[N@@H+](CCOc1ccccc1Br)CCc1cccc([N+](=O)[O-])c1 ZINC001460009030 1064340965 /nfs/dbraw/zinc/34/09/65/1064340965.db2.gz YLTGEHMTFLOJAQ-UHFFFAOYSA-N 1 1 379.254 3.911 20 5 GHBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)C2)cc1 ZINC001465918783 1065922476 /nfs/dbraw/zinc/92/24/76/1065922476.db2.gz CTNMBVFTCHDWLM-SFHVURJKSA-N 1 1 382.464 3.916 20 5 GHBDMO CN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCC[N@@H+](C)C1 ZINC001200384326 1066055769 /nfs/dbraw/zinc/05/57/69/1066055769.db2.gz VSKJTGXGOFWQHE-KRWDZBQOSA-N 1 1 384.436 3.945 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1F ZINC001358475719 1067538356 /nfs/dbraw/zinc/53/83/56/1067538356.db2.gz WYFUUNYZSIPXPI-UHFFFAOYSA-N 1 1 386.358 3.606 20 5 GHBDMO COC(=O)c1cccc(OCC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001460130187 1068798669 /nfs/dbraw/zinc/79/86/69/1068798669.db2.gz MAVXQXCJGDDQHT-SFHVURJKSA-N 1 1 384.432 3.640 20 5 GHBDMO Cc1cc(C)cc(OCCN(C)C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC001460168217 1068827962 /nfs/dbraw/zinc/82/79/62/1068827962.db2.gz AAUBMAAQIZJSJA-UHFFFAOYSA-N 1 1 399.491 3.574 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC001460311827 1068919159 /nfs/dbraw/zinc/91/91/59/1068919159.db2.gz VHWYBBLBXBGUTP-IBGZPJMESA-N 1 1 394.431 3.793 20 5 GHBDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001460602760 1069020177 /nfs/dbraw/zinc/02/01/77/1069020177.db2.gz JFHDZSNJSUVFKE-ROUUACIJSA-N 1 1 388.439 3.742 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)O1 ZINC001460690219 1069088049 /nfs/dbraw/zinc/08/80/49/1069088049.db2.gz GHPGVBDFHZNWHK-HTAPYJJXSA-N 1 1 399.466 3.599 20 5 GHBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001471688013 1073180687 /nfs/dbraw/zinc/18/06/87/1073180687.db2.gz YMJMTBRIZCFFQB-RBUKOAKNSA-N 1 1 381.432 3.696 20 5 GHBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001471688011 1073180770 /nfs/dbraw/zinc/18/07/70/1073180770.db2.gz YMJMTBRIZCFFQB-MOPGFXCFSA-N 1 1 381.432 3.696 20 5 GHBDMO C[N@H+]1CC[C@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001472588558 1073563130 /nfs/dbraw/zinc/56/31/30/1073563130.db2.gz FZKMXWFCQIMQHN-HKUYNNGSSA-N 1 1 376.416 3.775 20 5 GHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC001472735743 1073643390 /nfs/dbraw/zinc/64/33/90/1073643390.db2.gz QYZSOZRCQLFTCY-CRAIPNDOSA-N 1 1 387.480 3.533 20 5 GHBDMO COc1ccccc1C[C@H](C)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC001473139695 1073802867 /nfs/dbraw/zinc/80/28/67/1073802867.db2.gz ASTBOQRWCKZANJ-KRWDZBQOSA-N 1 1 394.475 3.970 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC001473177573 1073834526 /nfs/dbraw/zinc/83/45/26/1073834526.db2.gz JUYGZYLMDKBDJZ-MRXNPFEDSA-N 1 1 385.464 3.803 20 5 GHBDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473190862 1073843204 /nfs/dbraw/zinc/84/32/04/1073843204.db2.gz VBPLHVRUEGCINY-IFXJQAMLSA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473190862 1073843212 /nfs/dbraw/zinc/84/32/12/1073843212.db2.gz VBPLHVRUEGCINY-IFXJQAMLSA-N 1 1 383.423 3.706 20 5 GHBDMO C[N@H+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC001473198857 1073850144 /nfs/dbraw/zinc/85/01/44/1073850144.db2.gz VXXDKXQOCAKQOL-UHFFFAOYSA-N 1 1 382.302 3.808 20 5 GHBDMO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001473213283 1073864887 /nfs/dbraw/zinc/86/48/87/1073864887.db2.gz SPVLCPFCRGRYEM-KNQAVFIVSA-N 1 1 384.476 3.679 20 5 GHBDMO Cc1ccc(N(C)[C@@H]2CCC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC001473304614 1073913646 /nfs/dbraw/zinc/91/36/46/1073913646.db2.gz QLRSLNDLZLDFFE-HXUWFJFHSA-N 1 1 396.491 3.751 20 5 GHBDMO Cc1ccc(N(C)[C@@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC001473304614 1073913649 /nfs/dbraw/zinc/91/36/49/1073913649.db2.gz QLRSLNDLZLDFFE-HXUWFJFHSA-N 1 1 396.491 3.751 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001473486276 1073985577 /nfs/dbraw/zinc/98/55/77/1073985577.db2.gz HFTBRRCLOYWTER-QGZVFWFLSA-N 1 1 383.448 3.812 20 5 GHBDMO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCc2ccccc21 ZINC001473635126 1074059525 /nfs/dbraw/zinc/05/95/25/1074059525.db2.gz DVIZVYLADGSVOO-HXUWFJFHSA-N 1 1 379.460 3.536 20 5 GHBDMO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC001473747337 1074120957 /nfs/dbraw/zinc/12/09/57/1074120957.db2.gz HWHMEWGTGZAEGB-AUSIDOKSSA-N 1 1 395.503 3.503 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c(Br)c1 ZINC001473820748 1074160061 /nfs/dbraw/zinc/16/00/61/1074160061.db2.gz FQNBVOYNBISPIT-AWEZNQCLSA-N 1 1 383.286 3.996 20 5 GHBDMO CCOC(=O)CC[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1CC1 ZINC001474380349 1074375772 /nfs/dbraw/zinc/37/57/72/1074375772.db2.gz YHHYFDVJPCNVJB-UHFFFAOYSA-N 1 1 391.287 3.584 20 5 GHBDMO CCOC(=O)CC[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1CC1 ZINC001474380349 1074375780 /nfs/dbraw/zinc/37/57/80/1074375780.db2.gz YHHYFDVJPCNVJB-UHFFFAOYSA-N 1 1 391.287 3.584 20 5 GHBDMO O=[N+]([O-])c1c(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc2sccn21 ZINC000022195686 212106423 /nfs/dbraw/zinc/10/64/23/212106423.db2.gz OKRUFSJMINMYPH-UHFFFAOYSA-N 1 1 391.884 3.670 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164619735 719074293 /nfs/dbraw/zinc/07/42/93/719074293.db2.gz CLRIGPYRUXAKGO-DYESRHJHSA-N 1 1 389.459 3.639 20 5 GHBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C)cc2[N+](=O)[O-])CC3)cs1 ZINC001164691449 719803938 /nfs/dbraw/zinc/80/39/38/719803938.db2.gz HCBSSQWPGUUFDM-UHFFFAOYSA-N 1 1 387.509 3.698 20 5 GHBDMO Cc1c(C)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165024277 721815553 /nfs/dbraw/zinc/81/55/53/721815553.db2.gz KGYXPDOJKKWYDN-DFQSSKMNSA-N 1 1 395.507 3.739 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994846 722201702 /nfs/dbraw/zinc/20/17/02/722201702.db2.gz IRHGBZDRCUPVFF-OAQYLSRUSA-N 1 1 384.455 3.991 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc12 ZINC001164996629 722203815 /nfs/dbraw/zinc/20/38/15/722203815.db2.gz UNTLAVRXSZSNED-OAQYLSRUSA-N 1 1 395.438 3.855 20 5 GHBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000180670868 837446318 /nfs/dbraw/zinc/44/63/18/837446318.db2.gz ZUZMCJFWXVZDFR-UHFFFAOYSA-N 1 1 379.420 3.798 20 5 GHBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000180786268 837549890 /nfs/dbraw/zinc/54/98/90/837549890.db2.gz NERYLHXCUAOYHP-DYVFJYSZSA-N 1 1 381.423 3.645 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000176718205 837722929 /nfs/dbraw/zinc/72/29/29/837722929.db2.gz CWUBLEJAOGIMEU-OXJNMPFZSA-N 1 1 382.464 3.663 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000176718205 837722936 /nfs/dbraw/zinc/72/29/36/837722936.db2.gz CWUBLEJAOGIMEU-OXJNMPFZSA-N 1 1 382.464 3.663 20 5 GHBDMO Cn1c2ccc(NCCC(=O)Nc3ccccc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000579702082 834408977 /nfs/dbraw/zinc/40/89/77/834408977.db2.gz NYNBKEZFIKUERB-UHFFFAOYSA-N 1 1 379.420 3.800 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583573032 834663579 /nfs/dbraw/zinc/66/35/79/834663579.db2.gz INWOXZKWTXUQMD-GOSISDBHSA-N 1 1 375.856 3.552 20 5 GHBDMO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000583630661 834784902 /nfs/dbraw/zinc/78/49/02/834784902.db2.gz NHTPKURLTIMVLO-MNOVXSKESA-N 1 1 382.258 3.833 20 5 GHBDMO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000583630660 834785132 /nfs/dbraw/zinc/78/51/32/834785132.db2.gz NHTPKURLTIMVLO-GHMZBOCLSA-N 1 1 382.258 3.833 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C)(CO)CC2)c([N+](=O)[O-])c1 ZINC000186966043 834870585 /nfs/dbraw/zinc/87/05/85/834870585.db2.gz LDNUSPBWLWOSTR-FQEVSTJZSA-N 1 1 397.475 3.677 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000708572287 835069411 /nfs/dbraw/zinc/06/94/11/835069411.db2.gz ZDROYSXRBPBKJB-HIFRSBDPSA-N 1 1 383.477 3.780 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000611935127 835078316 /nfs/dbraw/zinc/07/83/16/835078316.db2.gz KXNRUQNSJYKDID-OAQYLSRUSA-N 1 1 396.491 3.659 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1csc([N+](=O)[O-])c1 ZINC000612127882 835569958 /nfs/dbraw/zinc/56/99/58/835569958.db2.gz AHOMLIFNZNMUNM-KBAYOESNSA-N 1 1 385.489 3.687 20 5 GHBDMO Cc1sc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1[N+](=O)[O-] ZINC000612132246 835587510 /nfs/dbraw/zinc/58/75/10/835587510.db2.gz HWVBPDCXSSOISL-RCCFBDPRSA-N 1 1 399.516 3.995 20 5 GHBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000612132458 835587904 /nfs/dbraw/zinc/58/79/04/835587904.db2.gz SVEZIFOQZSOXAJ-YZGWKJHDSA-N 1 1 379.460 3.625 20 5 GHBDMO C[N@@H+]1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179470979 835734863 /nfs/dbraw/zinc/73/48/63/835734863.db2.gz AZPXVCJJGSQEDG-ZBEGNZNMSA-N 1 1 397.859 3.872 20 5 GHBDMO C[N@H+]1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179470979 835734873 /nfs/dbraw/zinc/73/48/73/835734873.db2.gz AZPXVCJJGSQEDG-ZBEGNZNMSA-N 1 1 397.859 3.872 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000584211768 835763945 /nfs/dbraw/zinc/76/39/45/835763945.db2.gz IENXNUBKOAKAGC-MRXNPFEDSA-N 1 1 385.464 3.803 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000510919140 844096019 /nfs/dbraw/zinc/09/60/19/844096019.db2.gz UBGHUNXVFUZKOZ-UHFFFAOYSA-N 1 1 398.507 3.819 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000154700122 835943736 /nfs/dbraw/zinc/94/37/36/835943736.db2.gz WBBLSKMOOJGDMF-UHFFFAOYSA-N 1 1 384.480 3.727 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000411145804 836067343 /nfs/dbraw/zinc/06/73/43/836067343.db2.gz WUYMASKVYLRYDH-YQVWRLOYSA-N 1 1 387.867 3.771 20 5 GHBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000065876535 836068376 /nfs/dbraw/zinc/06/83/76/836068376.db2.gz YDFFHHZPEFSHBD-UHFFFAOYSA-N 1 1 398.507 3.664 20 5 GHBDMO CCOC(=O)c1[nH]c(C)c(C(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000411477565 836177404 /nfs/dbraw/zinc/17/74/04/836177404.db2.gz SKRWHDVCVPIZQQ-ZDUSSCGKSA-N 1 1 387.436 3.558 20 5 GHBDMO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000176111067 844141207 /nfs/dbraw/zinc/14/12/07/844141207.db2.gz XDZRQWHLCYFAHI-VQIMIIECSA-N 1 1 397.475 3.776 20 5 GHBDMO COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000548931735 836243152 /nfs/dbraw/zinc/24/31/52/836243152.db2.gz ZFESLDDJTVGBIN-NRFANRHFSA-N 1 1 383.492 3.994 20 5 GHBDMO COc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000548931735 836243158 /nfs/dbraw/zinc/24/31/58/836243158.db2.gz ZFESLDDJTVGBIN-NRFANRHFSA-N 1 1 383.492 3.994 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn2ccc(Br)cc2n1 ZINC000582213116 836249693 /nfs/dbraw/zinc/24/96/93/836249693.db2.gz QWYISLBIDDNDSS-UHFFFAOYSA-N 1 1 389.253 3.680 20 5 GHBDMO O=C(CC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411735284 836304419 /nfs/dbraw/zinc/30/44/19/836304419.db2.gz VVLIAJGGTVOWNI-QGZVFWFLSA-N 1 1 399.451 3.801 20 5 GHBDMO O=C(CC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411735284 836304430 /nfs/dbraw/zinc/30/44/30/836304430.db2.gz VVLIAJGGTVOWNI-QGZVFWFLSA-N 1 1 399.451 3.801 20 5 GHBDMO Cc1sc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510170963 836590291 /nfs/dbraw/zinc/59/02/91/836590291.db2.gz ZUXDMJXHKDSZEZ-RHSMWYFYSA-N 1 1 387.505 3.995 20 5 GHBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496178 844214342 /nfs/dbraw/zinc/21/43/42/844214342.db2.gz GNGXNOBSUMCBOF-HXUWFJFHSA-N 1 1 385.489 3.785 20 5 GHBDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000510255848 837066579 /nfs/dbraw/zinc/06/65/79/837066579.db2.gz SGVFWJIWSGAQNT-KDOFPFPSSA-N 1 1 383.448 3.676 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177589514 837981067 /nfs/dbraw/zinc/98/10/67/837981067.db2.gz ZGXCENZDPWOACP-IBGZPJMESA-N 1 1 378.469 3.544 20 5 GHBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275612579 838010189 /nfs/dbraw/zinc/01/01/89/838010189.db2.gz HGMNMISEFKQEST-JEOXALJRSA-N 1 1 397.425 3.584 20 5 GHBDMO CSc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610296980 838201573 /nfs/dbraw/zinc/20/15/73/838201573.db2.gz RYQFYQWDAGSLKJ-KRWDZBQOSA-N 1 1 385.489 3.663 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1Cc1ccccc1 ZINC000535698993 844322057 /nfs/dbraw/zinc/32/20/57/844322057.db2.gz KNMUYUWDTBWNSJ-WBVHZDCISA-N 1 1 392.459 3.859 20 5 GHBDMO O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000782935640 838454337 /nfs/dbraw/zinc/45/43/37/838454337.db2.gz PSCXDIFZDVCPKE-UHFFFAOYSA-N 1 1 392.293 3.609 20 5 GHBDMO CN(C)C(=O)C1([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000414479406 838506796 /nfs/dbraw/zinc/50/67/96/838506796.db2.gz ANBLKQKCNRNLEC-UHFFFAOYSA-N 1 1 389.839 3.751 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@@H]1c1ccc(Cl)cc1 ZINC000535708101 844339103 /nfs/dbraw/zinc/33/91/03/844339103.db2.gz MAXNPLAAIFRRTA-APWZRJJASA-N 1 1 398.850 3.905 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@@H]1c1ccc(Cl)cc1 ZINC000535708101 844339122 /nfs/dbraw/zinc/33/91/22/844339122.db2.gz MAXNPLAAIFRRTA-APWZRJJASA-N 1 1 398.850 3.905 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000549814975 844358100 /nfs/dbraw/zinc/35/81/00/844358100.db2.gz JWAFJFSQFJKXII-AWEZNQCLSA-N 1 1 387.411 3.561 20 5 GHBDMO C[C@@H](NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000472953898 838754329 /nfs/dbraw/zinc/75/43/29/838754329.db2.gz BKBKCCVGWUKSGJ-IAGOWNOFSA-N 1 1 384.480 3.866 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000580194976 839035844 /nfs/dbraw/zinc/03/58/44/839035844.db2.gz JQBALDPJTFRWMH-DYESRHJHSA-N 1 1 395.503 3.899 20 5 GHBDMO C[C@@]1(c2ccccc2)CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001167367476 839047058 /nfs/dbraw/zinc/04/70/58/839047058.db2.gz KKDBONGNOKOYML-IFMALSPDSA-N 1 1 379.460 3.754 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000549168943 839139373 /nfs/dbraw/zinc/13/93/73/839139373.db2.gz OVCKKOUHRCBOEK-IFMALSPDSA-N 1 1 384.476 3.524 20 5 GHBDMO CC(C)(NC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000431874666 839236770 /nfs/dbraw/zinc/23/67/70/839236770.db2.gz FGPADPNOVUUVPO-UHFFFAOYSA-N 1 1 396.491 3.578 20 5 GHBDMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000236836932 839518865 /nfs/dbraw/zinc/51/88/65/839518865.db2.gz ZKQDWGDYHDPRMH-HXUWFJFHSA-N 1 1 399.491 3.756 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000236836932 839518871 /nfs/dbraw/zinc/51/88/71/839518871.db2.gz ZKQDWGDYHDPRMH-HXUWFJFHSA-N 1 1 399.491 3.756 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000610446122 839708404 /nfs/dbraw/zinc/70/84/04/839708404.db2.gz RLLNBKJCCWTADL-MRXNPFEDSA-N 1 1 392.459 3.813 20 5 GHBDMO CCc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000610445667 839744873 /nfs/dbraw/zinc/74/48/73/839744873.db2.gz BYXKIAXEDFIKKV-KRWDZBQOSA-N 1 1 381.476 3.894 20 5 GHBDMO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000412156752 839841826 /nfs/dbraw/zinc/84/18/26/839841826.db2.gz KDOTXAXRNIBWLN-ORYQWCPZSA-N 1 1 381.476 3.725 20 5 GHBDMO CC(C)Oc1nc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000565230034 839986167 /nfs/dbraw/zinc/98/61/67/839986167.db2.gz POYSAJKFXIVISX-HNNXBMFYSA-N 1 1 385.468 3.694 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262053905 840041589 /nfs/dbraw/zinc/04/15/89/840041589.db2.gz VERCQZGJNTWLGK-KRWDZBQOSA-N 1 1 394.258 3.617 20 5 GHBDMO CN(CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000237086315 844503377 /nfs/dbraw/zinc/50/33/77/844503377.db2.gz PDNJBWMUFAUTHY-UHFFFAOYSA-N 1 1 393.491 3.607 20 5 GHBDMO Cn1cc(CNCCC[N@H+](C)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237086315 844503384 /nfs/dbraw/zinc/50/33/84/844503384.db2.gz PDNJBWMUFAUTHY-UHFFFAOYSA-N 1 1 393.491 3.607 20 5 GHBDMO Cn1cc(CNCCC[N@@H+](C)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237086315 844503390 /nfs/dbraw/zinc/50/33/90/844503390.db2.gz PDNJBWMUFAUTHY-UHFFFAOYSA-N 1 1 393.491 3.607 20 5 GHBDMO C[C@@H](O)CC[N@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000247573374 844515946 /nfs/dbraw/zinc/51/59/46/844515946.db2.gz RZHVWGDTCLAICT-FZKQIMNGSA-N 1 1 391.855 3.631 20 5 GHBDMO C[C@@H](O)CC[N@@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000247573374 844515950 /nfs/dbraw/zinc/51/59/50/844515950.db2.gz RZHVWGDTCLAICT-FZKQIMNGSA-N 1 1 391.855 3.631 20 5 GHBDMO CCc1ccc([C@@H]([NH2+][C@H]2CCN(CC(F)F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000417395184 840813060 /nfs/dbraw/zinc/81/30/60/840813060.db2.gz VXEVBZFWYMJLKG-LIRRHRJNSA-N 1 1 379.407 3.769 20 5 GHBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000581218210 840880409 /nfs/dbraw/zinc/88/04/09/840880409.db2.gz OPJLNFXCSMLZAO-JKSUJKDBSA-N 1 1 387.505 3.618 20 5 GHBDMO COc1ccc(C[N@H+](CCc2ccccn2)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000581277814 841000116 /nfs/dbraw/zinc/00/01/16/841000116.db2.gz JIIACQTURUFBJQ-UHFFFAOYSA-N 1 1 378.432 3.638 20 5 GHBDMO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000581277814 841000121 /nfs/dbraw/zinc/00/01/21/841000121.db2.gz JIIACQTURUFBJQ-UHFFFAOYSA-N 1 1 378.432 3.638 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610209012 841062525 /nfs/dbraw/zinc/06/25/25/841062525.db2.gz OBSYJLVDGVMYAS-GOEBONIOSA-N 1 1 379.526 3.946 20 5 GHBDMO CC(C)(NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000430563681 841124868 /nfs/dbraw/zinc/12/48/68/841124868.db2.gz WXCQGKVHZWLJQX-SFHVURJKSA-N 1 1 381.476 3.858 20 5 GHBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000500074906 841383303 /nfs/dbraw/zinc/38/33/03/841383303.db2.gz NJPXNWYQZHIBKB-GOSISDBHSA-N 1 1 382.464 3.524 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000178000741 841391612 /nfs/dbraw/zinc/39/16/12/841391612.db2.gz YIHJCZFQXGOBOE-MRXNPFEDSA-N 1 1 375.469 3.816 20 5 GHBDMO Cc1cc2ncn(C[C@H](O)C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)c2cc1C ZINC000135237695 841415374 /nfs/dbraw/zinc/41/53/74/841415374.db2.gz VVBQREIDZACOAY-LJQANCHMSA-N 1 1 394.475 3.587 20 5 GHBDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000500137259 841508488 /nfs/dbraw/zinc/50/84/88/841508488.db2.gz HSSRKQIRHNYBRV-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000500137259 841508494 /nfs/dbraw/zinc/50/84/94/841508494.db2.gz HSSRKQIRHNYBRV-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700651 861209831 /nfs/dbraw/zinc/20/98/31/861209831.db2.gz FRHZGIPVTBBZHR-RDJZCZTQSA-N 1 1 384.480 3.992 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000500248903 841729458 /nfs/dbraw/zinc/72/94/58/841729458.db2.gz DAJJZADOUVAIDP-SFHVURJKSA-N 1 1 397.475 3.948 20 5 GHBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@H+]1C ZINC000123404963 841767359 /nfs/dbraw/zinc/76/73/59/841767359.db2.gz NFNACNUOWJHWFX-WMZOPIPTSA-N 1 1 396.491 3.762 20 5 GHBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000110383266 841901277 /nfs/dbraw/zinc/90/12/77/841901277.db2.gz OWARULHPQYAMIZ-ALOPSCKCSA-N 1 1 383.423 3.659 20 5 GHBDMO O=[N+]([O-])c1cccc2c(NC[C@H](c3ccccc3)[NH+]3CCOCC3)ccnc21 ZINC000432329968 841997783 /nfs/dbraw/zinc/99/77/83/841997783.db2.gz WBDBNMMMBFOPRF-HXUWFJFHSA-N 1 1 378.432 3.628 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1)C1CC1 ZINC000121433493 842022997 /nfs/dbraw/zinc/02/29/97/842022997.db2.gz NZMCLENOHLGYRW-UHFFFAOYSA-N 1 1 379.460 3.778 20 5 GHBDMO CCOc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000581699575 842053984 /nfs/dbraw/zinc/05/39/84/842053984.db2.gz NLTUYTHSWMRAGT-RBUKOAKNSA-N 1 1 381.476 3.952 20 5 GHBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@H+]1Cc1ccccc1 ZINC000157929279 842173289 /nfs/dbraw/zinc/17/32/89/842173289.db2.gz MXRFLNOABZFOGM-DOTOQJQBSA-N 1 1 390.443 3.536 20 5 GHBDMO C[C@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000127315074 842252680 /nfs/dbraw/zinc/25/26/80/842252680.db2.gz XFTDQYZUBFXUTQ-HOTGVXAUSA-N 1 1 388.537 3.610 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000112657369 842358752 /nfs/dbraw/zinc/35/87/52/842358752.db2.gz LGGUFBCFXCYTCV-OAQYLSRUSA-N 1 1 399.491 3.751 20 5 GHBDMO COC1CCN(C2(C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)CCCC2)CC1 ZINC000730817271 861301161 /nfs/dbraw/zinc/30/11/61/861301161.db2.gz JVBBPKTYVPAIDG-UHFFFAOYSA-N 1 1 381.904 3.761 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000175975832 842553583 /nfs/dbraw/zinc/55/35/83/842553583.db2.gz FTOGLCBTHWTFGE-CRAIPNDOSA-N 1 1 388.493 3.539 20 5 GHBDMO COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610944741 842637499 /nfs/dbraw/zinc/63/74/99/842637499.db2.gz SMJYVJQXFBFYEO-LJQANCHMSA-N 1 1 395.459 3.720 20 5 GHBDMO COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610944741 842637505 /nfs/dbraw/zinc/63/75/05/842637505.db2.gz SMJYVJQXFBFYEO-LJQANCHMSA-N 1 1 395.459 3.720 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1Br ZINC000467036125 842832379 /nfs/dbraw/zinc/83/23/79/842832379.db2.gz SVKDQGCJCQNSCW-UHFFFAOYSA-N 1 1 396.216 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(CNCC[NH+]3CCCC3)o2)c(Br)c1 ZINC000500449621 842951214 /nfs/dbraw/zinc/95/12/14/842951214.db2.gz WDIJOTXIBSIPNS-UHFFFAOYSA-N 1 1 394.269 3.803 20 5 GHBDMO CCN1CCC([NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000236920113 843074033 /nfs/dbraw/zinc/07/40/33/843074033.db2.gz GJPDYEMKHHUZRI-UHFFFAOYSA-N 1 1 399.491 3.756 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000024672919 843085600 /nfs/dbraw/zinc/08/56/00/843085600.db2.gz XGZIZLOIAHAMPY-OAHLLOKOSA-N 1 1 383.448 3.843 20 5 GHBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@@H]1c1ccccc1 ZINC000302838115 861383166 /nfs/dbraw/zinc/38/31/66/861383166.db2.gz YGOPWPFMJGRWQQ-FPOVZHCZSA-N 1 1 394.475 3.688 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)s1 ZINC000510661724 843150920 /nfs/dbraw/zinc/15/09/20/843150920.db2.gz JNPUTVSTWFQYBU-MRXNPFEDSA-N 1 1 387.505 3.620 20 5 GHBDMO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000538083982 843301591 /nfs/dbraw/zinc/30/15/91/843301591.db2.gz LADBEKCMVVQNPS-VQIMIIECSA-N 1 1 396.491 3.980 20 5 GHBDMO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000128650996 843489580 /nfs/dbraw/zinc/48/95/80/843489580.db2.gz NIQKJCFPUAJMFR-OXQOHEQNSA-N 1 1 381.476 3.615 20 5 GHBDMO C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCCC[C@H]1C ZINC000510849813 843611336 /nfs/dbraw/zinc/61/13/36/843611336.db2.gz BLHOBULIIFQSOV-VXGBXAGGSA-N 1 1 386.399 3.581 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000610738580 843800907 /nfs/dbraw/zinc/80/09/07/843800907.db2.gz CHPZEMDLGRPLFM-MRXNPFEDSA-N 1 1 395.459 3.752 20 5 GHBDMO CC(C)c1ccc(C[NH+]2CCC(CCN3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000512467703 843911469 /nfs/dbraw/zinc/91/14/69/843911469.db2.gz FDBDROOAPXIAPZ-UHFFFAOYSA-N 1 1 375.513 3.653 20 5 GHBDMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025702210 861485379 /nfs/dbraw/zinc/48/53/79/861485379.db2.gz CJVVVCUEFWSHMV-KRWDZBQOSA-N 1 1 396.491 3.698 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000512619937 844763063 /nfs/dbraw/zinc/76/30/63/844763063.db2.gz RGMWKIMZWQWHQM-FQEVSTJZSA-N 1 1 388.512 3.576 20 5 GHBDMO Cc1c(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000481473064 861499555 /nfs/dbraw/zinc/49/95/55/861499555.db2.gz MKQHVWWQLLJUQJ-FQEVSTJZSA-N 1 1 385.439 3.713 20 5 GHBDMO Cc1c(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000481473064 861499566 /nfs/dbraw/zinc/49/95/66/861499566.db2.gz MKQHVWWQLLJUQJ-FQEVSTJZSA-N 1 1 385.439 3.713 20 5 GHBDMO COc1ccc([C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cn1 ZINC000599703415 861516662 /nfs/dbraw/zinc/51/66/62/861516662.db2.gz OLZNMOLTXOUWIU-IBGZPJMESA-N 1 1 380.404 3.894 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000433061394 845105253 /nfs/dbraw/zinc/10/52/53/845105253.db2.gz KOUOKIQJVNIAQL-YJBOKZPZSA-N 1 1 397.475 3.982 20 5 GHBDMO CCc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000433061394 845105259 /nfs/dbraw/zinc/10/52/59/845105259.db2.gz KOUOKIQJVNIAQL-YJBOKZPZSA-N 1 1 397.475 3.982 20 5 GHBDMO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000509777792 845136354 /nfs/dbraw/zinc/13/63/54/845136354.db2.gz RXQRNRHAXPZAKS-APWZRJJASA-N 1 1 397.475 3.901 20 5 GHBDMO CCc1ccc([C@H]2CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000433072265 845168861 /nfs/dbraw/zinc/16/88/61/845168861.db2.gz ATKNZADYIBZYNF-SFHVURJKSA-N 1 1 395.459 3.945 20 5 GHBDMO CC(C)c1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000433834044 845454854 /nfs/dbraw/zinc/45/48/54/845454854.db2.gz QSQLZIAEMVXAFK-HNNXBMFYSA-N 1 1 399.495 3.603 20 5 GHBDMO COc1ccc(C(C)(C)C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000513683198 846237973 /nfs/dbraw/zinc/23/79/73/846237973.db2.gz HUUDAKVZTYUOMA-HXUWFJFHSA-N 1 1 394.475 3.994 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000502777422 846460855 /nfs/dbraw/zinc/46/08/55/846460855.db2.gz ARDZGRFLTNRQEB-UHFFFAOYSA-N 1 1 377.485 3.557 20 5 GHBDMO Cc1c(CC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000178552873 846634560 /nfs/dbraw/zinc/63/45/60/846634560.db2.gz YFTOYAUUKZIJPG-GOSISDBHSA-N 1 1 375.856 3.518 20 5 GHBDMO Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000502995624 846696323 /nfs/dbraw/zinc/69/63/23/846696323.db2.gz VDRUUNQUPWMZDE-UHFFFAOYSA-N 1 1 375.182 3.566 20 5 GHBDMO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000503052555 846768724 /nfs/dbraw/zinc/76/87/24/846768724.db2.gz RIXFATLQBBGMQV-OAHLLOKOSA-N 1 1 394.518 3.722 20 5 GHBDMO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000503052555 846768730 /nfs/dbraw/zinc/76/87/30/846768730.db2.gz RIXFATLQBBGMQV-OAHLLOKOSA-N 1 1 394.518 3.722 20 5 GHBDMO COc1cc2c(cc1Cl)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000555740167 861727548 /nfs/dbraw/zinc/72/75/48/861727548.db2.gz URHUHXBWOSMUHY-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO COc1cc2c(cc1Cl)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000555740167 861727556 /nfs/dbraw/zinc/72/75/56/861727556.db2.gz URHUHXBWOSMUHY-UHFFFAOYSA-N 1 1 389.839 3.644 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[N@H+]1CCOC ZINC000501599192 847050279 /nfs/dbraw/zinc/05/02/79/847050279.db2.gz CEDTXWGSKDSWNH-IBGZPJMESA-N 1 1 391.515 3.961 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000511126565 847255953 /nfs/dbraw/zinc/25/59/53/847255953.db2.gz YUZIEMMPNIXKLF-UHFFFAOYSA-N 1 1 395.503 3.550 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000511126565 847255964 /nfs/dbraw/zinc/25/59/64/847255964.db2.gz YUZIEMMPNIXKLF-UHFFFAOYSA-N 1 1 395.503 3.550 20 5 GHBDMO C[N@H+]1CCC[C@@H](CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000413446059 847424299 /nfs/dbraw/zinc/42/42/99/847424299.db2.gz UPVFIFBYSKSKMR-JTQLQIEISA-N 1 1 382.333 3.788 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000540785317 847481146 /nfs/dbraw/zinc/48/11/46/847481146.db2.gz AKHITRQAXORSMR-HNNXBMFYSA-N 1 1 379.526 3.947 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cccc(CN3CCOCC3)c2)C2CC2)c1 ZINC000420938727 847557718 /nfs/dbraw/zinc/55/77/18/847557718.db2.gz PMJWWPBVUCYYPF-UHFFFAOYSA-N 1 1 381.476 3.592 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503408374 847686863 /nfs/dbraw/zinc/68/68/63/847686863.db2.gz STTRRAQVLBOULX-KRWDZBQOSA-N 1 1 384.480 3.906 20 5 GHBDMO Cc1ccc(NC(=O)N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000611668116 847855043 /nfs/dbraw/zinc/85/50/43/847855043.db2.gz VQNBLCBSRNUBMF-UHFFFAOYSA-N 1 1 398.463 3.522 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709810 848105300 /nfs/dbraw/zinc/10/53/00/848105300.db2.gz WEAAYNJMZPHRMD-GOSISDBHSA-N 1 1 391.475 3.886 20 5 GHBDMO O=C(c1cc(F)ccc1F)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051857586 848107272 /nfs/dbraw/zinc/10/72/72/848107272.db2.gz QAYQYMLYXJMWSL-UHFFFAOYSA-N 1 1 390.386 3.847 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000509158721 861881156 /nfs/dbraw/zinc/88/11/56/861881156.db2.gz XKGRHYIEKHPDRG-VLIAUNLRSA-N 1 1 375.419 3.873 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000132110997 861910807 /nfs/dbraw/zinc/91/08/07/861910807.db2.gz GIKYZBPRDUHJEB-UTKZUKDTSA-N 1 1 381.476 3.649 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248009026 849169402 /nfs/dbraw/zinc/16/94/02/849169402.db2.gz LCAMSLLYLHUDPY-IFMALSPDSA-N 1 1 393.487 3.650 20 5 GHBDMO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593840036 862046983 /nfs/dbraw/zinc/04/69/83/862046983.db2.gz ZQMTWSYNSHJCOA-UHFFFAOYSA-N 1 1 387.461 3.741 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000434907509 849891552 /nfs/dbraw/zinc/89/15/52/849891552.db2.gz XONCQNJWPMPQPQ-VKJFTORMSA-N 1 1 383.448 3.808 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@](C)(c3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC000435031803 850014093 /nfs/dbraw/zinc/01/40/93/850014093.db2.gz BNSTZPZOQDWZJX-QFIPXVFZSA-N 1 1 398.459 3.619 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cccnc3N(C)C)o2)c([N+](=O)[O-])c1 ZINC000518762335 850057256 /nfs/dbraw/zinc/05/72/56/850057256.db2.gz QIFZQNZMLYMOHD-UHFFFAOYSA-N 1 1 382.420 3.614 20 5 GHBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425279439 850094564 /nfs/dbraw/zinc/09/45/64/850094564.db2.gz UZVPUVFOTWPCEP-WMLDXEAASA-N 1 1 392.381 3.719 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000439871966 850519209 /nfs/dbraw/zinc/51/92/09/850519209.db2.gz ATRDHIJOICMMLT-LSDHHAIUSA-N 1 1 390.484 3.768 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487186636 850535117 /nfs/dbraw/zinc/53/51/17/850535117.db2.gz OCVIQARQZBGECC-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487186636 850535129 /nfs/dbraw/zinc/53/51/29/850535129.db2.gz OCVIQARQZBGECC-UHFFFAOYSA-N 1 1 375.375 3.568 20 5 GHBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000426525111 850566330 /nfs/dbraw/zinc/56/63/30/850566330.db2.gz QLTSZZWBUKVSBI-UHFFFAOYSA-N 1 1 397.475 3.730 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000487803318 850926393 /nfs/dbraw/zinc/92/63/93/850926393.db2.gz QONQBPNEPQRFMY-CALCHBBNSA-N 1 1 390.528 3.887 20 5 GHBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000440400504 851159587 /nfs/dbraw/zinc/15/95/87/851159587.db2.gz ADXUZKXGJDSWAQ-QGZVFWFLSA-N 1 1 389.459 3.935 20 5 GHBDMO C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+]1CCCC[C@H]1C ZINC000436102073 851199935 /nfs/dbraw/zinc/19/99/35/851199935.db2.gz PUOFUNAMUJQIMW-HZPDHXFCSA-N 1 1 377.488 3.674 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436134150 851244247 /nfs/dbraw/zinc/24/42/47/851244247.db2.gz PHCFHSOTMLYDHB-IXDOHACOSA-N 1 1 391.515 3.778 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436384423 851542309 /nfs/dbraw/zinc/54/23/09/851542309.db2.gz FRSSHOJNELVAQG-INIZCTEOSA-N 1 1 376.457 3.522 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000436397151 851570123 /nfs/dbraw/zinc/57/01/23/851570123.db2.gz ZJXUFCJNRMHCKT-MRXNPFEDSA-N 1 1 385.464 3.803 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000488796642 851790327 /nfs/dbraw/zinc/79/03/27/851790327.db2.gz HLYISJMGSVXCIT-FQEVSTJZSA-N 1 1 383.448 3.860 20 5 GHBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000489146089 852048201 /nfs/dbraw/zinc/04/82/01/852048201.db2.gz FPWFGNXDTKTGRT-INIZCTEOSA-N 1 1 388.512 3.779 20 5 GHBDMO Cc1[nH+]ccn1-c1ccccc1CNc1ncc([N+](=O)[O-])cc1Br ZINC000516094726 852153654 /nfs/dbraw/zinc/15/36/54/852153654.db2.gz YACOIZUSDSRDOH-UHFFFAOYSA-N 1 1 388.225 3.859 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3ccccc3O)CC2)o1 ZINC000505875889 852292312 /nfs/dbraw/zinc/29/23/12/852292312.db2.gz CUSNAIJTXXBLGV-UHFFFAOYSA-N 1 1 379.416 3.883 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438496523 852485312 /nfs/dbraw/zinc/48/53/12/852485312.db2.gz YKIVBJIKVMWHQJ-VFNWGFHPSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438496523 852485315 /nfs/dbraw/zinc/48/53/15/852485315.db2.gz YKIVBJIKVMWHQJ-VFNWGFHPSA-N 1 1 383.448 3.594 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489882106 852621701 /nfs/dbraw/zinc/62/17/01/852621701.db2.gz GRYRAEZBDIYSAL-HLLBOEOZSA-N 1 1 376.501 3.631 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489895150 852629045 /nfs/dbraw/zinc/62/90/45/852629045.db2.gz XMUYEUQCKNKKDD-APWZRJJASA-N 1 1 382.464 3.538 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000506299965 852631193 /nfs/dbraw/zinc/63/11/93/852631193.db2.gz YBAKNFLJHASTDZ-GDBMZVCRSA-N 1 1 384.436 3.560 20 5 GHBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437835110 852760404 /nfs/dbraw/zinc/76/04/04/852760404.db2.gz GHEBIJPWWRGINX-GOSISDBHSA-N 1 1 384.480 3.532 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000507289604 852763415 /nfs/dbraw/zinc/76/34/15/852763415.db2.gz ASQKZANGGSUDLA-UHFFFAOYSA-N 1 1 387.411 3.593 20 5 GHBDMO C[C@H]([NH2+]C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000506334544 852776406 /nfs/dbraw/zinc/77/64/06/852776406.db2.gz YOQVHRTWALPJDW-HNNXBMFYSA-N 1 1 383.448 3.694 20 5 GHBDMO O=C(CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000490161838 852799122 /nfs/dbraw/zinc/79/91/22/852799122.db2.gz BKHDLMUCWKAGFW-UHFFFAOYSA-N 1 1 375.375 3.866 20 5 GHBDMO COc1cc(CNC[C@@]2(C)CCC[NH2+]C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414899252 852841279 /nfs/dbraw/zinc/84/12/79/852841279.db2.gz CIWLAAGZEAGPKW-QFIPXVFZSA-N 1 1 399.491 3.662 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437192533 852850580 /nfs/dbraw/zinc/85/05/80/852850580.db2.gz DRDVBVHOYCNZAQ-ZDUSSCGKSA-N 1 1 387.402 3.856 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000507440125 852917105 /nfs/dbraw/zinc/91/71/05/852917105.db2.gz HIBJMRABQXTZKS-OWCLPIDISA-N 1 1 393.553 3.948 20 5 GHBDMO COc1cc(CNC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000108427953 853069036 /nfs/dbraw/zinc/06/90/36/853069036.db2.gz QMLGLOAQLLVZGS-GOSISDBHSA-N 1 1 399.491 3.614 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000507628690 853124611 /nfs/dbraw/zinc/12/46/11/853124611.db2.gz GFSXAKMWJLEIHE-NVXWUHKLSA-N 1 1 385.489 3.639 20 5 GHBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437698825 853433629 /nfs/dbraw/zinc/43/36/29/853433629.db2.gz PEARGNLPJZYXRI-LJQANCHMSA-N 1 1 394.475 3.543 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000439334455 853545049 /nfs/dbraw/zinc/54/50/49/853545049.db2.gz XGINMDJCPSVNHS-ZBFHGGJFSA-N 1 1 397.431 3.530 20 5 GHBDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000439334455 853545057 /nfs/dbraw/zinc/54/50/57/853545057.db2.gz XGINMDJCPSVNHS-ZBFHGGJFSA-N 1 1 397.431 3.530 20 5 GHBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1cc(N2C[C@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000156814053 854348930 /nfs/dbraw/zinc/34/89/30/854348930.db2.gz NINBMRAWXRJKFC-XMTFNYHQSA-N 1 1 398.507 3.502 20 5 GHBDMO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@H](CC(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000589209578 854750466 /nfs/dbraw/zinc/75/04/66/854750466.db2.gz NZFRIKLPVHMHKR-MRXNPFEDSA-N 1 1 385.489 3.752 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cccc1[N+](=O)[O-] ZINC000589278954 854780751 /nfs/dbraw/zinc/78/07/51/854780751.db2.gz GCSLQUSIJLNXNX-JOCHJYFZSA-N 1 1 395.459 3.702 20 5 GHBDMO Cc1cc(N2CCC(Nc3ccc([N+](=O)[O-])c4cccnc34)CC2)nc(C)[nH+]1 ZINC000301597525 855291799 /nfs/dbraw/zinc/29/17/99/855291799.db2.gz ZWSOFKDYCFUVEP-UHFFFAOYSA-N 1 1 378.436 3.631 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000590379487 855385796 /nfs/dbraw/zinc/38/57/96/855385796.db2.gz YMFMMHITWMAFCP-QGZVFWFLSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000590379487 855385804 /nfs/dbraw/zinc/38/58/04/855385804.db2.gz YMFMMHITWMAFCP-QGZVFWFLSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1c(Cl)c(NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000590570141 855493276 /nfs/dbraw/zinc/49/32/76/855493276.db2.gz WFBSAHFPRRQXHY-CQSZACIVSA-N 1 1 393.827 3.877 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@](C)(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000129571495 855511317 /nfs/dbraw/zinc/51/13/17/855511317.db2.gz BURMHSYTYYHPHB-OAQYLSRUSA-N 1 1 386.448 3.529 20 5 GHBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000590685965 855530633 /nfs/dbraw/zinc/53/06/33/855530633.db2.gz LXAFNBAQVYGVEV-HNNXBMFYSA-N 1 1 379.338 3.530 20 5 GHBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000590685965 855530636 /nfs/dbraw/zinc/53/06/36/855530636.db2.gz LXAFNBAQVYGVEV-HNNXBMFYSA-N 1 1 379.338 3.530 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])[C@@H](C)C2)cc1 ZINC000441550160 855610388 /nfs/dbraw/zinc/61/03/88/855610388.db2.gz YUEVOLBDVHBCGB-JKSUJKDBSA-N 1 1 383.448 3.653 20 5 GHBDMO COC(=O)c1ccc(N2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])[C@@H](C)C2)cc1 ZINC000441550160 855610390 /nfs/dbraw/zinc/61/03/90/855610390.db2.gz YUEVOLBDVHBCGB-JKSUJKDBSA-N 1 1 383.448 3.653 20 5 GHBDMO Cc1cc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1Br ZINC000590970049 855680649 /nfs/dbraw/zinc/68/06/49/855680649.db2.gz JKQOENVQPYJBAG-UHFFFAOYSA-N 1 1 393.237 3.727 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000129576748 855786990 /nfs/dbraw/zinc/78/69/90/855786990.db2.gz LMYSNEOOKBGSMY-OAQYLSRUSA-N 1 1 386.448 3.529 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000129576748 855786994 /nfs/dbraw/zinc/78/69/94/855786994.db2.gz LMYSNEOOKBGSMY-OAQYLSRUSA-N 1 1 386.448 3.529 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC3(CCOCC3)[C@H]1c1ccccc1)OCCO2 ZINC000591265977 855872903 /nfs/dbraw/zinc/87/29/03/855872903.db2.gz ANZKDVIBTSOOBF-OAQYLSRUSA-N 1 1 396.443 3.720 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC3(CCOCC3)[C@H]1c1ccccc1)OCCO2 ZINC000591265977 855872908 /nfs/dbraw/zinc/87/29/08/855872908.db2.gz ANZKDVIBTSOOBF-OAQYLSRUSA-N 1 1 396.443 3.720 20 5 GHBDMO C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001272892962 855991515 /nfs/dbraw/zinc/99/15/15/855991515.db2.gz UPNYGSFZGWEAOC-DLBZAZTESA-N 1 1 399.466 3.818 20 5 GHBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591525512 856090852 /nfs/dbraw/zinc/09/08/52/856090852.db2.gz OAEVJELTXNOREO-OAHLLOKOSA-N 1 1 377.510 3.796 20 5 GHBDMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000462786705 856202438 /nfs/dbraw/zinc/20/24/38/856202438.db2.gz AXLFTJAFCNFKBE-KRWDZBQOSA-N 1 1 398.463 3.632 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000784012585 856203504 /nfs/dbraw/zinc/20/35/04/856203504.db2.gz SJUTXBSUJSTTJP-QRWLVFNGSA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000784012585 856203511 /nfs/dbraw/zinc/20/35/11/856203511.db2.gz SJUTXBSUJSTTJP-QRWLVFNGSA-N 1 1 393.447 3.903 20 5 GHBDMO Cc1[nH+]c2cc(Nc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])ccc2n1C ZINC000301434498 856360637 /nfs/dbraw/zinc/36/06/37/856360637.db2.gz JUHJMDDPWSPRJY-UHFFFAOYSA-N 1 1 396.375 3.530 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172416491 856429343 /nfs/dbraw/zinc/42/93/43/856429343.db2.gz CTAOCILTZFUNTI-OAHLLOKOSA-N 1 1 377.510 3.552 20 5 GHBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485399317 856446597 /nfs/dbraw/zinc/44/65/97/856446597.db2.gz BJFCGTMANNXZKI-HNNXBMFYSA-N 1 1 395.438 3.989 20 5 GHBDMO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)Nc1ccccc1 ZINC000592131350 856673747 /nfs/dbraw/zinc/67/37/47/856673747.db2.gz YPCUERUUOAXBSG-MXVIHJGJSA-N 1 1 397.475 3.729 20 5 GHBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC000592187241 856790109 /nfs/dbraw/zinc/79/01/09/856790109.db2.gz MSGFBHZWQFJCBX-TZIWHRDSSA-N 1 1 380.444 3.728 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245384912 856814328 /nfs/dbraw/zinc/81/43/28/856814328.db2.gz YXOSYHQYQCSBLT-RHSMWYFYSA-N 1 1 379.420 3.892 20 5 GHBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000245886401 857189688 /nfs/dbraw/zinc/18/96/88/857189688.db2.gz CYEPYSUALARTGO-QGTPRVQTSA-N 1 1 399.447 3.598 20 5 GHBDMO Cc1c(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000043347473 857400773 /nfs/dbraw/zinc/40/07/73/857400773.db2.gz MJIAPNZLAQHACN-UHFFFAOYSA-N 1 1 386.427 3.782 20 5 GHBDMO Cc1c(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000043347473 857400784 /nfs/dbraw/zinc/40/07/84/857400784.db2.gz MJIAPNZLAQHACN-UHFFFAOYSA-N 1 1 386.427 3.782 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246837212 857475317 /nfs/dbraw/zinc/47/53/17/857475317.db2.gz ASNYTORLQLQXDM-IFMALSPDSA-N 1 1 393.487 3.650 20 5 GHBDMO O=C(OC[C@H]1CCC[N@@H+]1Cc1ccco1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000765966501 857483579 /nfs/dbraw/zinc/48/35/79/857483579.db2.gz GJDJENJOYHCLQC-QGZVFWFLSA-N 1 1 399.447 3.609 20 5 GHBDMO O=C(OC[C@H]1CCC[N@H+]1Cc1ccco1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000765966501 857483586 /nfs/dbraw/zinc/48/35/86/857483586.db2.gz GJDJENJOYHCLQC-QGZVFWFLSA-N 1 1 399.447 3.609 20 5 GHBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255302900 857675717 /nfs/dbraw/zinc/67/57/17/857675717.db2.gz USBXABDALIMGDY-SBSDFTTDSA-N 1 1 399.413 3.731 20 5 GHBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000442298576 857717989 /nfs/dbraw/zinc/71/79/89/857717989.db2.gz AEPUAMJNXUVXGE-HNNXBMFYSA-N 1 1 385.489 3.818 20 5 GHBDMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000113934334 857795155 /nfs/dbraw/zinc/79/51/55/857795155.db2.gz HRHOPULBMGMHIF-ZWKOTPCHSA-N 1 1 388.512 3.510 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000113934334 857795161 /nfs/dbraw/zinc/79/51/61/857795161.db2.gz HRHOPULBMGMHIF-ZWKOTPCHSA-N 1 1 388.512 3.510 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438939610 857816582 /nfs/dbraw/zinc/81/65/82/857816582.db2.gz YZRIBYQZGJHOQD-KRWDZBQOSA-N 1 1 387.867 3.903 20 5 GHBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001128353215 857940448 /nfs/dbraw/zinc/94/04/48/857940448.db2.gz OMTNWVWTTOPBGA-HXUWFJFHSA-N 1 1 398.507 3.547 20 5 GHBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c2C1 ZINC000066514248 858161654 /nfs/dbraw/zinc/16/16/54/858161654.db2.gz SPZIEQZRHNMQMB-UHFFFAOYSA-N 1 1 391.431 3.758 20 5 GHBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c2C1 ZINC000066514248 858161658 /nfs/dbraw/zinc/16/16/58/858161658.db2.gz SPZIEQZRHNMQMB-UHFFFAOYSA-N 1 1 391.431 3.758 20 5 GHBDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC(F)F)cc1[N+](=O)[O-] ZINC000442873265 858189761 /nfs/dbraw/zinc/18/97/61/858189761.db2.gz KDIGTMXQDFCYPJ-LBPRGKRZSA-N 1 1 381.379 3.883 20 5 GHBDMO C[N@@H+]1CC=C(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000442882864 858204432 /nfs/dbraw/zinc/20/44/32/858204432.db2.gz NQKYRLHBTMBNDW-UHFFFAOYSA-N 1 1 383.473 3.738 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000567940936 863009645 /nfs/dbraw/zinc/00/96/45/863009645.db2.gz HUWAZWRARGCZBG-KXBFYZLASA-N 1 1 399.516 3.957 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000765973030 858428198 /nfs/dbraw/zinc/42/81/98/858428198.db2.gz VCLKMXBDNBQQAN-ZBFHGGJFSA-N 1 1 390.461 3.876 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000765973030 858428202 /nfs/dbraw/zinc/42/82/02/858428202.db2.gz VCLKMXBDNBQQAN-ZBFHGGJFSA-N 1 1 390.461 3.876 20 5 GHBDMO Cc1noc(C[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000595330168 858462254 /nfs/dbraw/zinc/46/22/54/858462254.db2.gz KAVKLBWACBTVAT-UHFFFAOYSA-N 1 1 380.242 3.817 20 5 GHBDMO Cc1noc(C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000595330168 858462263 /nfs/dbraw/zinc/46/22/63/858462263.db2.gz KAVKLBWACBTVAT-UHFFFAOYSA-N 1 1 380.242 3.817 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1C(F)(F)F ZINC000301885816 858508500 /nfs/dbraw/zinc/50/85/00/858508500.db2.gz PLKLTIOISNQHMF-HZPDHXFCSA-N 1 1 395.381 3.661 20 5 GHBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000595369400 858519132 /nfs/dbraw/zinc/51/91/32/858519132.db2.gz FEDGIOCRBPCMMY-PXGUKHNGSA-N 1 1 392.500 3.575 20 5 GHBDMO C[C@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCc2ccccc21 ZINC000593091872 858632470 /nfs/dbraw/zinc/63/24/70/858632470.db2.gz QNZZRZMOOXQXDH-HNNXBMFYSA-N 1 1 381.432 3.555 20 5 GHBDMO C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000543150470 858663734 /nfs/dbraw/zinc/66/37/34/858663734.db2.gz DVUNVWACRCFWIL-CHWSQXEVSA-N 1 1 385.917 3.719 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](Cc3ccccc3)CC3CCOCC3)nc2c1 ZINC000482698257 858775141 /nfs/dbraw/zinc/77/51/41/858775141.db2.gz RKTKTIHRYQQCPR-UHFFFAOYSA-N 1 1 380.448 3.900 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000482707597 858781894 /nfs/dbraw/zinc/78/18/94/858781894.db2.gz MOGSWCPSSLQMCJ-AEFFLSMTSA-N 1 1 393.491 3.956 20 5 GHBDMO Cc1cc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)ccc1[N+](=O)[O-] ZINC000596613160 858967677 /nfs/dbraw/zinc/96/76/77/858967677.db2.gz CDCJSUUDWKNWCU-DNVCBOLYSA-N 1 1 394.431 3.915 20 5 GHBDMO Cc1cc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)ccc1[N+](=O)[O-] ZINC000596613160 858967686 /nfs/dbraw/zinc/96/76/86/858967686.db2.gz CDCJSUUDWKNWCU-DNVCBOLYSA-N 1 1 394.431 3.915 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2[C@H](C)CC(O)C[C@H]2C)cc1OC ZINC000429299665 858971470 /nfs/dbraw/zinc/97/14/70/858971470.db2.gz ZURQDCHXSSKUEO-RRFJBIMHSA-N 1 1 380.485 3.762 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301924838 858987090 /nfs/dbraw/zinc/98/70/90/858987090.db2.gz MGWRCLUFGQQQKO-HNNXBMFYSA-N 1 1 380.452 3.624 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)c([N+](=O)[O-])c1 ZINC001170352623 881388186 /nfs/dbraw/zinc/38/81/86/881388186.db2.gz OUSRZOGMZMNRDT-GDBMZVCRSA-N 1 1 388.468 3.920 20 5 GHBDMO CC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000543637617 859150924 /nfs/dbraw/zinc/15/09/24/859150924.db2.gz GSCVAGMDMHLZDX-INIZCTEOSA-N 1 1 386.427 3.692 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000543293682 859177299 /nfs/dbraw/zinc/17/72/99/859177299.db2.gz UWVMLDSJYXOEAR-OCCSQVGLSA-N 1 1 385.917 3.672 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C2CCCC2)C2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001170355421 881401127 /nfs/dbraw/zinc/40/11/27/881401127.db2.gz DPLPZEVLKKVMGC-MRXNPFEDSA-N 1 1 375.513 3.873 20 5 GHBDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000764198530 859280474 /nfs/dbraw/zinc/28/04/74/859280474.db2.gz ZTMRIBUWWMJBQW-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000764198530 859280485 /nfs/dbraw/zinc/28/04/85/859280485.db2.gz ZTMRIBUWWMJBQW-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO C[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@H+]1Cc1ccccc1 ZINC000160859202 859289046 /nfs/dbraw/zinc/28/90/46/859289046.db2.gz GUUNQWCWRHFXJJ-WMLDXEAASA-N 1 1 380.448 3.554 20 5 GHBDMO C[C@@H](CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000474152131 859321512 /nfs/dbraw/zinc/32/15/12/859321512.db2.gz GWXRXNANXDMTTH-INIZCTEOSA-N 1 1 396.491 3.810 20 5 GHBDMO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1OC ZINC000160892892 859335461 /nfs/dbraw/zinc/33/54/61/859335461.db2.gz AOXUFDMEMUOXMV-CSKARUKUSA-N 1 1 383.448 3.967 20 5 GHBDMO CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1OC ZINC000160892892 859335469 /nfs/dbraw/zinc/33/54/69/859335469.db2.gz AOXUFDMEMUOXMV-CSKARUKUSA-N 1 1 383.448 3.967 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597212306 859349797 /nfs/dbraw/zinc/34/97/97/859349797.db2.gz TZCJVKWJEOMLNB-PGRDOPGGSA-N 1 1 398.459 3.651 20 5 GHBDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCC2 ZINC000611271698 859675643 /nfs/dbraw/zinc/67/56/43/859675643.db2.gz YKTVPTYKZFZGBP-CQSZACIVSA-N 1 1 375.450 3.640 20 5 GHBDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCC2 ZINC000611271698 859675649 /nfs/dbraw/zinc/67/56/49/859675649.db2.gz YKTVPTYKZFZGBP-CQSZACIVSA-N 1 1 375.450 3.640 20 5 GHBDMO COc1cc(C[N@@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000611272416 859675742 /nfs/dbraw/zinc/67/57/42/859675742.db2.gz IXABVVCBIZLBRO-UHFFFAOYSA-N 1 1 392.374 3.545 20 5 GHBDMO COc1cc(C[N@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000611272416 859675747 /nfs/dbraw/zinc/67/57/47/859675747.db2.gz IXABVVCBIZLBRO-UHFFFAOYSA-N 1 1 392.374 3.545 20 5 GHBDMO Cc1nn(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765013159 859728041 /nfs/dbraw/zinc/72/80/41/859728041.db2.gz YZMITKFDUXHCQB-SJLPKXTDSA-N 1 1 385.512 3.797 20 5 GHBDMO O=C(CC[N@H+]1CC[C@H](c2c(F)cccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000185307244 859898285 /nfs/dbraw/zinc/89/82/85/859898285.db2.gz NDBRVEQQUXBZBN-ZDUSSCGKSA-N 1 1 375.375 3.691 20 5 GHBDMO CCN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000597946637 859952319 /nfs/dbraw/zinc/95/23/19/859952319.db2.gz QZHSWAKQTZYLQH-QGZVFWFLSA-N 1 1 385.489 3.912 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000555077761 859962114 /nfs/dbraw/zinc/96/21/14/859962114.db2.gz AABMWRWITIYWFC-UHFFFAOYSA-N 1 1 389.496 3.722 20 5 GHBDMO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000428854084 859988974 /nfs/dbraw/zinc/98/89/74/859988974.db2.gz ZUUUDCJBZQCTHJ-INIZCTEOSA-N 1 1 376.478 3.840 20 5 GHBDMO CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000428854084 859988979 /nfs/dbraw/zinc/98/89/79/859988979.db2.gz ZUUUDCJBZQCTHJ-INIZCTEOSA-N 1 1 376.478 3.840 20 5 GHBDMO O=C1CCCCN1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602486955 860053998 /nfs/dbraw/zinc/05/39/98/860053998.db2.gz SADIRVIFONOEPC-UHFFFAOYSA-N 1 1 385.386 3.591 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)nc2c1 ZINC000602524228 860078270 /nfs/dbraw/zinc/07/82/70/860078270.db2.gz LWNJNNIUZBBKOH-AWEZNQCLSA-N 1 1 386.477 3.799 20 5 GHBDMO C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598195811 860124047 /nfs/dbraw/zinc/12/40/47/860124047.db2.gz TWNZQPAQXTYHCP-QFBILLFUSA-N 1 1 399.466 3.613 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CO)C3)o2)c(Br)c1 ZINC000154591203 860195063 /nfs/dbraw/zinc/19/50/63/860195063.db2.gz JIQHFXVVAXTNCW-GFCCVEGCSA-N 1 1 395.253 3.822 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000007267511 860230836 /nfs/dbraw/zinc/23/08/36/860230836.db2.gz OGAAYEVCVOWYDJ-CYBMUJFWSA-N 1 1 377.828 3.586 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000007267511 860230847 /nfs/dbraw/zinc/23/08/47/860230847.db2.gz OGAAYEVCVOWYDJ-CYBMUJFWSA-N 1 1 377.828 3.586 20 5 GHBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598396503 860279597 /nfs/dbraw/zinc/27/95/97/860279597.db2.gz LQISXVGOXRWZTN-HXUWFJFHSA-N 1 1 393.487 3.556 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C2)nc1 ZINC000093534552 860297237 /nfs/dbraw/zinc/29/72/37/860297237.db2.gz BSXOTEBZNASYGN-INIZCTEOSA-N 1 1 398.854 3.720 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C2)nc1 ZINC000093534556 860297432 /nfs/dbraw/zinc/29/74/32/860297432.db2.gz BSXOTEBZNASYGN-MRXNPFEDSA-N 1 1 398.854 3.720 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602852686 860314518 /nfs/dbraw/zinc/31/45/18/860314518.db2.gz GBNXWWMCTGBHBE-RHSMWYFYSA-N 1 1 379.420 3.980 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000093684101 860331632 /nfs/dbraw/zinc/33/16/32/860331632.db2.gz MTGKFARVDKRWGI-QGZVFWFLSA-N 1 1 386.448 3.651 20 5 GHBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1O ZINC000330728786 860528799 /nfs/dbraw/zinc/52/87/99/860528799.db2.gz HEANHSHWJTYQJF-IRXDYDNUSA-N 1 1 375.494 3.947 20 5 GHBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1O ZINC000330728786 860528807 /nfs/dbraw/zinc/52/88/07/860528807.db2.gz HEANHSHWJTYQJF-IRXDYDNUSA-N 1 1 375.494 3.947 20 5 GHBDMO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000132635143 860594812 /nfs/dbraw/zinc/59/48/12/860594812.db2.gz DAZKZVMMHVSSQV-CXAGYDPISA-N 1 1 395.381 3.858 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000170977863 860685809 /nfs/dbraw/zinc/68/58/09/860685809.db2.gz QMTMZHGENUFFBN-HNNXBMFYSA-N 1 1 385.489 3.818 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599204148 860918238 /nfs/dbraw/zinc/91/82/38/860918238.db2.gz SSJJVSAGPYJXTM-PXNSSMCTSA-N 1 1 386.496 3.501 20 5 GHBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000156677324 860926195 /nfs/dbraw/zinc/92/61/95/860926195.db2.gz OPEHEQNPLJNJQX-CYBMUJFWSA-N 1 1 383.433 3.603 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000025634742 860939539 /nfs/dbraw/zinc/93/95/39/860939539.db2.gz HFSHFIFQNICWHF-HOTGVXAUSA-N 1 1 399.516 3.638 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000609193201 881615050 /nfs/dbraw/zinc/61/50/50/881615050.db2.gz SXZHLHYDNBXKFY-KDURUIRLSA-N 1 1 381.476 3.950 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000609194744 881621318 /nfs/dbraw/zinc/62/13/18/881621318.db2.gz HUMWSVRHNXHJPW-UHFFFAOYSA-N 1 1 389.402 4.000 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000482471298 863194939 /nfs/dbraw/zinc/19/49/39/863194939.db2.gz SMMDVXFINGGEAN-LJQANCHMSA-N 1 1 387.867 3.889 20 5 GHBDMO CN(C)c1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc[nH+]1 ZINC000444099597 863397955 /nfs/dbraw/zinc/39/79/55/863397955.db2.gz TWLCYCJNVOWLFF-UHFFFAOYSA-N 1 1 376.391 3.534 20 5 GHBDMO CCOc1ccc(C(=O)N2CC[NH+]([C@@H](CC)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001126575980 863529756 /nfs/dbraw/zinc/52/97/56/863529756.db2.gz JERVLFQWYGQESM-IBGZPJMESA-N 1 1 397.475 3.903 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000137467507 863977467 /nfs/dbraw/zinc/97/74/67/863977467.db2.gz FSPVQHOCJWSMBJ-PBHICJAKSA-N 1 1 387.867 3.570 20 5 GHBDMO CNc1ccc(C(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000734299574 864133017 /nfs/dbraw/zinc/13/30/17/864133017.db2.gz OUKUQVIUBSEHPS-QGZVFWFLSA-N 1 1 383.448 3.706 20 5 GHBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)C[C@H](C)O1 ZINC000071971382 864262167 /nfs/dbraw/zinc/26/21/67/864262167.db2.gz WKROTIPWHDSPCF-KBPBESRZSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@H](CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC000184412677 864432936 /nfs/dbraw/zinc/43/29/36/864432936.db2.gz CQCJFRQLILUDFO-CVEARBPZSA-N 1 1 387.455 3.864 20 5 GHBDMO Cc1ccc(N2CCC(C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000734892511 864506058 /nfs/dbraw/zinc/50/60/58/864506058.db2.gz CXROOJXSIPTETK-UHFFFAOYSA-N 1 1 389.839 3.911 20 5 GHBDMO Cc1ncsc1CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792897776 881782842 /nfs/dbraw/zinc/78/28/42/881782842.db2.gz MSCSNJXRKBTLSY-UHFFFAOYSA-N 1 1 382.283 3.723 20 5 GHBDMO Cc1ncsc1CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792897776 881782854 /nfs/dbraw/zinc/78/28/54/881782854.db2.gz MSCSNJXRKBTLSY-UHFFFAOYSA-N 1 1 382.283 3.723 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000554681041 864703688 /nfs/dbraw/zinc/70/36/88/864703688.db2.gz SZCMQBPNRCOBRZ-OALUTQOASA-N 1 1 383.496 3.611 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000480509170 864762993 /nfs/dbraw/zinc/76/29/93/864762993.db2.gz AYVGQKLEVGVASQ-GJZGRUSLSA-N 1 1 377.510 3.700 20 5 GHBDMO CCOC(=O)c1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000480517278 864795971 /nfs/dbraw/zinc/79/59/71/864795971.db2.gz YHKIONBERYDBKJ-QGZVFWFLSA-N 1 1 383.448 3.706 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1)CC(C)C ZINC000444340670 864851670 /nfs/dbraw/zinc/85/16/70/864851670.db2.gz JUNVWIBADBCSHW-UHFFFAOYSA-N 1 1 391.512 3.824 20 5 GHBDMO O=C(OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000735888421 865033004 /nfs/dbraw/zinc/03/30/04/865033004.db2.gz CKXRDXBOYNTPHP-CQSZACIVSA-N 1 1 390.386 3.942 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@](F)(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000555070372 865452056 /nfs/dbraw/zinc/45/20/56/865452056.db2.gz BYBRZWPCNQVFIR-HXUWFJFHSA-N 1 1 389.402 3.942 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@](F)(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000555070372 865452060 /nfs/dbraw/zinc/45/20/60/865452060.db2.gz BYBRZWPCNQVFIR-HXUWFJFHSA-N 1 1 389.402 3.942 20 5 GHBDMO CCC[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740859690 866046885 /nfs/dbraw/zinc/04/68/85/866046885.db2.gz SWJXPKUEQXEDFA-VAMGGRTRSA-N 1 1 384.480 3.941 20 5 GHBDMO CSc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000186511990 866047470 /nfs/dbraw/zinc/04/74/70/866047470.db2.gz PBEMYYKGYYDUKD-INIZCTEOSA-N 1 1 385.489 3.711 20 5 GHBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740881715 866066709 /nfs/dbraw/zinc/06/67/09/866066709.db2.gz JFUIMUGRRTVRFE-YJBOKZPZSA-N 1 1 393.484 3.599 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740884506 866074638 /nfs/dbraw/zinc/07/46/38/866074638.db2.gz OTQBTFFKAFHCEO-LRDDRELGSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740884506 866074655 /nfs/dbraw/zinc/07/46/55/866074655.db2.gz OTQBTFFKAFHCEO-LRDDRELGSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1c(Br)cccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000534178603 866237363 /nfs/dbraw/zinc/23/73/63/866237363.db2.gz XOZVAVVPNDGBTE-CQSZACIVSA-N 1 1 391.269 3.747 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000475555797 866268207 /nfs/dbraw/zinc/26/82/07/866268207.db2.gz YHPFFLHPQFKJOI-HNNXBMFYSA-N 1 1 376.434 3.545 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000475555797 866268221 /nfs/dbraw/zinc/26/82/21/866268221.db2.gz YHPFFLHPQFKJOI-HNNXBMFYSA-N 1 1 376.434 3.545 20 5 GHBDMO O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741326084 866405374 /nfs/dbraw/zinc/40/53/74/866405374.db2.gz JOJWCMYNOPLKNJ-GOSISDBHSA-N 1 1 386.423 3.732 20 5 GHBDMO Cc1c(COC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000741328336 866411629 /nfs/dbraw/zinc/41/16/29/866411629.db2.gz KWOPCAPSPWBLLT-KRWDZBQOSA-N 1 1 386.423 3.998 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000183392960 866682090 /nfs/dbraw/zinc/68/20/90/866682090.db2.gz BTRRZLVHFLROCP-YOEHRIQHSA-N 1 1 387.411 3.523 20 5 GHBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000183392960 866682097 /nfs/dbraw/zinc/68/20/97/866682097.db2.gz BTRRZLVHFLROCP-YOEHRIQHSA-N 1 1 387.411 3.523 20 5 GHBDMO Cc1ccc(-c2cnc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000440493408 866933406 /nfs/dbraw/zinc/93/34/06/866933406.db2.gz WOQCTNJGVSQNEB-MRXNPFEDSA-N 1 1 379.420 3.640 20 5 GHBDMO Cc1ccc(-c2cnc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000440493408 866933420 /nfs/dbraw/zinc/93/34/20/866933420.db2.gz WOQCTNJGVSQNEB-MRXNPFEDSA-N 1 1 379.420 3.640 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444649928 867004773 /nfs/dbraw/zinc/00/47/73/867004773.db2.gz LTFRNXIZMHQJKO-MRXNPFEDSA-N 1 1 385.512 3.948 20 5 GHBDMO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444790510 867254464 /nfs/dbraw/zinc/25/44/64/867254464.db2.gz JJSNCWWHSZJEKN-OAHLLOKOSA-N 1 1 381.354 3.785 20 5 GHBDMO C[N@@H+](CCCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000457169826 867764346 /nfs/dbraw/zinc/76/43/46/867764346.db2.gz PLMXROIHJIWHQA-UHFFFAOYSA-N 1 1 399.441 3.564 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445142038 867817811 /nfs/dbraw/zinc/81/78/11/867817811.db2.gz MPTVIMBJKLHXNJ-QGZVFWFLSA-N 1 1 399.494 3.932 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H]1c1cccs1 ZINC000534981637 867870177 /nfs/dbraw/zinc/87/01/77/867870177.db2.gz KKKVICKVNFOSFE-BFUOFWGJSA-N 1 1 398.488 3.951 20 5 GHBDMO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)NC1CCCCCCC1 ZINC000743862462 868458042 /nfs/dbraw/zinc/45/80/42/868458042.db2.gz DRHROBFRWRKUQU-UHFFFAOYSA-N 1 1 389.496 3.667 20 5 GHBDMO CC[N@@H+](CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C1CC1 ZINC000442730097 868532278 /nfs/dbraw/zinc/53/22/78/868532278.db2.gz CQSFFIWKQUZKIF-UHFFFAOYSA-N 1 1 385.489 3.960 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000480008740 868894353 /nfs/dbraw/zinc/89/43/53/868894353.db2.gz ABSUUTAWKDXNQN-HNNXBMFYSA-N 1 1 397.401 3.825 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462482639 869523942 /nfs/dbraw/zinc/52/39/42/869523942.db2.gz HJUUGOXQXACODW-LJQANCHMSA-N 1 1 396.491 3.737 20 5 GHBDMO COc1ccc2ccccc2c1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000539837644 869879119 /nfs/dbraw/zinc/87/91/19/869879119.db2.gz QMAGKWROUKSMJQ-INIZCTEOSA-N 1 1 378.432 3.838 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000539850347 869899147 /nfs/dbraw/zinc/89/91/47/869899147.db2.gz JSHZVOLGWCUBKK-MRXNPFEDSA-N 1 1 386.521 3.882 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000446493797 869928482 /nfs/dbraw/zinc/92/84/82/869928482.db2.gz IMDZXKBIJUDWOJ-OXJNMPFZSA-N 1 1 382.464 3.935 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1O ZINC000539897528 869985170 /nfs/dbraw/zinc/98/51/70/869985170.db2.gz BBVHUTLUYUMYLM-BDJLRTHQSA-N 1 1 395.253 3.820 20 5 GHBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000538721603 870419451 /nfs/dbraw/zinc/41/94/51/870419451.db2.gz UEHRLGWAKMLCNQ-LJQANCHMSA-N 1 1 399.491 3.848 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(F)cc3C(F)(F)F)C2)nc1 ZINC000538737746 870494460 /nfs/dbraw/zinc/49/44/60/870494460.db2.gz AIEQIKOHLADCNC-CYBMUJFWSA-N 1 1 384.333 3.834 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)nc1 ZINC000538737746 870494466 /nfs/dbraw/zinc/49/44/66/870494466.db2.gz AIEQIKOHLADCNC-CYBMUJFWSA-N 1 1 384.333 3.834 20 5 GHBDMO CC[C@@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1c1ccccc1 ZINC000746382868 870589686 /nfs/dbraw/zinc/58/96/86/870589686.db2.gz OVEAHUXTHXPWGQ-CRAIPNDOSA-N 1 1 381.432 3.976 20 5 GHBDMO CC[C@@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1c1ccccc1 ZINC000746382868 870589692 /nfs/dbraw/zinc/58/96/92/870589692.db2.gz OVEAHUXTHXPWGQ-CRAIPNDOSA-N 1 1 381.432 3.976 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[NH+]2CCC(O)(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000428461171 870802697 /nfs/dbraw/zinc/80/26/97/870802697.db2.gz IGMFINWBAYUBGM-UHFFFAOYSA-N 1 1 391.418 3.955 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001169011627 871093870 /nfs/dbraw/zinc/09/38/70/871093870.db2.gz LSYFHEGKQNSIAQ-BHIYHBOVSA-N 1 1 389.496 3.726 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001169011629 871096165 /nfs/dbraw/zinc/09/61/65/871096165.db2.gz LSYFHEGKQNSIAQ-QXAKKESOSA-N 1 1 389.496 3.726 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](C2CCC2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053777 871133878 /nfs/dbraw/zinc/13/38/78/871133878.db2.gz JMDLWYOXIWRGFB-NXHRZFHOSA-N 1 1 381.517 3.686 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540524064 871489939 /nfs/dbraw/zinc/48/99/39/871489939.db2.gz DNEHAWCXNVXBKV-QGZVFWFLSA-N 1 1 382.464 3.651 20 5 GHBDMO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000447403454 871541163 /nfs/dbraw/zinc/54/11/63/871541163.db2.gz OVHMEYXNOILAJQ-QGZVFWFLSA-N 1 1 376.460 3.896 20 5 GHBDMO Cc1cccc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1[N+](=O)[O-] ZINC001169520376 871593711 /nfs/dbraw/zinc/59/37/11/871593711.db2.gz PDUSISGLFISRNT-MJGOQNOKSA-N 1 1 383.448 3.774 20 5 GHBDMO CC[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000544419080 871700229 /nfs/dbraw/zinc/70/02/29/871700229.db2.gz ULCGPNSWHVCIBI-ZDUSSCGKSA-N 1 1 398.410 3.796 20 5 GHBDMO CCC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000539327903 871746693 /nfs/dbraw/zinc/74/66/93/871746693.db2.gz JSZFBUHDSREVSE-GOSISDBHSA-N 1 1 377.391 3.967 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000462233736 871907266 /nfs/dbraw/zinc/90/72/66/871907266.db2.gz RBXJEXDQAAXBNZ-ACJLOTCBSA-N 1 1 388.855 3.890 20 5 GHBDMO CC[N@@H+](CCC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)CC1CC1 ZINC000444690218 871921080 /nfs/dbraw/zinc/92/10/80/871921080.db2.gz ROJKZMAQRFKPBD-UHFFFAOYSA-N 1 1 385.512 3.805 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)CC(F)(F)F ZINC000182211855 872010208 /nfs/dbraw/zinc/01/02/08/872010208.db2.gz KTLAGWLBGLINPG-LBPRGKRZSA-N 1 1 379.810 3.954 20 5 GHBDMO Cc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000101527835 872065993 /nfs/dbraw/zinc/06/59/93/872065993.db2.gz CMTCKHFYVCQDNQ-MRXNPFEDSA-N 1 1 377.828 3.717 20 5 GHBDMO CSc1cccc(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000552166252 872181765 /nfs/dbraw/zinc/18/17/65/872181765.db2.gz RDXPMHLDWZZJTB-UHFFFAOYSA-N 1 1 377.510 3.725 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001195232595 872240562 /nfs/dbraw/zinc/24/05/62/872240562.db2.gz FXSMDIAMMJZGMK-HNNXBMFYSA-N 1 1 378.469 3.937 20 5 GHBDMO COc1ccccc1C1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552252573 872337279 /nfs/dbraw/zinc/33/72/79/872337279.db2.gz QVDIZUDJOVPRFQ-HXUWFJFHSA-N 1 1 392.459 3.748 20 5 GHBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000478031350 872381216 /nfs/dbraw/zinc/38/12/16/872381216.db2.gz UVHTUOVPWVGNAB-MSOLQXFVSA-N 1 1 375.469 3.511 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000478160502 872601734 /nfs/dbraw/zinc/60/17/34/872601734.db2.gz DCIIBASLKIAUFY-INIZCTEOSA-N 1 1 385.489 3.711 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000619489812 872685991 /nfs/dbraw/zinc/68/59/91/872685991.db2.gz PCBIAPRKLJTUIM-GBESFXJTSA-N 1 1 383.496 3.832 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448026010 872685778 /nfs/dbraw/zinc/68/57/78/872685778.db2.gz GQQWGHKRKDNSFM-DNVCBOLYSA-N 1 1 382.464 3.825 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448026010 872685790 /nfs/dbraw/zinc/68/57/90/872685790.db2.gz GQQWGHKRKDNSFM-DNVCBOLYSA-N 1 1 382.464 3.825 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000541053327 872839791 /nfs/dbraw/zinc/83/97/91/872839791.db2.gz DPYCGZGWKPSKLK-CQSZACIVSA-N 1 1 385.645 3.834 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000478317985 872862217 /nfs/dbraw/zinc/86/22/17/872862217.db2.gz VXDKNMFLJDXZLB-HXUWFJFHSA-N 1 1 399.516 3.714 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182858132 872865791 /nfs/dbraw/zinc/86/57/91/872865791.db2.gz RHGIHBKFHMQTHL-AWEZNQCLSA-N 1 1 384.358 3.656 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182858132 872865804 /nfs/dbraw/zinc/86/58/04/872865804.db2.gz RHGIHBKFHMQTHL-AWEZNQCLSA-N 1 1 384.358 3.656 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000463956397 872949831 /nfs/dbraw/zinc/94/98/31/872949831.db2.gz ZFIQKOWNKATKOW-UHFFFAOYSA-N 1 1 382.464 3.604 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000768242954 873203501 /nfs/dbraw/zinc/20/35/01/873203501.db2.gz AEQSNJQOYVOSPI-OAHLLOKOSA-N 1 1 387.436 3.954 20 5 GHBDMO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000541268793 873269179 /nfs/dbraw/zinc/26/91/79/873269179.db2.gz CMVIRCUAYXYSTL-INIZCTEOSA-N 1 1 389.477 3.623 20 5 GHBDMO CC[C@@H](c1ccccc1)[N@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541273692 873279511 /nfs/dbraw/zinc/27/95/11/873279511.db2.gz XQNKFEQUBFTWHB-IBGZPJMESA-N 1 1 376.478 3.842 20 5 GHBDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541273692 873279520 /nfs/dbraw/zinc/27/95/20/873279520.db2.gz XQNKFEQUBFTWHB-IBGZPJMESA-N 1 1 376.478 3.842 20 5 GHBDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000121463494 873283019 /nfs/dbraw/zinc/28/30/19/873283019.db2.gz GCIPIFDKMVGSSS-INIZCTEOSA-N 1 1 395.463 3.630 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000775742063 873333073 /nfs/dbraw/zinc/33/30/73/873333073.db2.gz PSSXINVXXRVUIB-UHFFFAOYSA-N 1 1 378.831 3.957 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001196841759 873399756 /nfs/dbraw/zinc/39/97/56/873399756.db2.gz KJGUGAFECFQDKX-QGZVFWFLSA-N 1 1 377.485 3.907 20 5 GHBDMO CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nc1C ZINC001197404829 873774072 /nfs/dbraw/zinc/77/40/72/873774072.db2.gz XBISIODSPMJNSV-LBPRGKRZSA-N 1 1 393.440 3.665 20 5 GHBDMO CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nc1C ZINC001197404829 873774085 /nfs/dbraw/zinc/77/40/85/873774085.db2.gz XBISIODSPMJNSV-LBPRGKRZSA-N 1 1 393.440 3.665 20 5 GHBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001197671271 873958891 /nfs/dbraw/zinc/95/88/91/873958891.db2.gz GTXKFDBTVYMDKI-AWEZNQCLSA-N 1 1 397.447 3.574 20 5 GHBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001197671271 873958899 /nfs/dbraw/zinc/95/88/99/873958899.db2.gz GTXKFDBTVYMDKI-AWEZNQCLSA-N 1 1 397.447 3.574 20 5 GHBDMO COc1cc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1F ZINC000464691703 874324464 /nfs/dbraw/zinc/32/44/64/874324464.db2.gz ONLXCVWPMHMRPS-AWEZNQCLSA-N 1 1 391.418 3.760 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000770015384 874405342 /nfs/dbraw/zinc/40/53/42/874405342.db2.gz WELZYGNGMVYZGY-BLLLJJGKSA-N 1 1 378.860 3.729 20 5 GHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000770021866 874410444 /nfs/dbraw/zinc/41/04/44/874410444.db2.gz XPJHNDZIGJAZKL-CJNGLKHVSA-N 1 1 398.891 3.507 20 5 GHBDMO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464783880 874488710 /nfs/dbraw/zinc/48/87/10/874488710.db2.gz SBHYNQLXFINWAB-MRXNPFEDSA-N 1 1 383.448 3.774 20 5 GHBDMO C[C@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H](c2ccco2)C1 ZINC000464857463 874654689 /nfs/dbraw/zinc/65/46/89/874654689.db2.gz NTNQLYMRCRDPCN-HOCLYGCPSA-N 1 1 385.420 3.959 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000542042202 874808388 /nfs/dbraw/zinc/80/83/88/874808388.db2.gz OYXMDVBKJHLTSE-AWEZNQCLSA-N 1 1 389.477 3.767 20 5 GHBDMO Nc1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000804461122 882876850 /nfs/dbraw/zinc/87/68/50/882876850.db2.gz ZYLOQXZLMNZSPO-OAHLLOKOSA-N 1 1 380.370 3.882 20 5 GHBDMO COc1ccc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000449672449 875220251 /nfs/dbraw/zinc/22/02/51/875220251.db2.gz WGIHWWGHJYQXRV-QGZVFWFLSA-N 1 1 385.247 3.908 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000771412737 875221790 /nfs/dbraw/zinc/22/17/90/875221790.db2.gz FGYOIWMQVAITQV-UHFFFAOYSA-N 1 1 377.460 3.708 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)C1 ZINC000465197310 875308064 /nfs/dbraw/zinc/30/80/64/875308064.db2.gz YBJXMUVEINSERK-CQSZACIVSA-N 1 1 387.411 3.707 20 5 GHBDMO O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786376377 876653191 /nfs/dbraw/zinc/65/31/91/876653191.db2.gz QRERWZLRXMGAFH-UHFFFAOYSA-N 1 1 394.721 3.986 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000492419139 876774845 /nfs/dbraw/zinc/77/48/45/876774845.db2.gz BXFPXIPCDZHZOV-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000609919615 877189135 /nfs/dbraw/zinc/18/91/35/877189135.db2.gz PWHQKELRFOTLQF-IRXDYDNUSA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000609919615 877189141 /nfs/dbraw/zinc/18/91/41/877189141.db2.gz PWHQKELRFOTLQF-IRXDYDNUSA-N 1 1 382.464 3.572 20 5 GHBDMO Cc1cc(N2CCC[N@H+](C3CCCC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609964992 877225275 /nfs/dbraw/zinc/22/52/75/877225275.db2.gz ZOSJRUABYUIXPU-UHFFFAOYSA-N 1 1 381.480 3.815 20 5 GHBDMO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610001687 877273154 /nfs/dbraw/zinc/27/31/54/877273154.db2.gz JZKFKZSUDVQIHV-FQEVSTJZSA-N 1 1 384.411 3.568 20 5 GHBDMO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610001687 877273169 /nfs/dbraw/zinc/27/31/69/877273169.db2.gz JZKFKZSUDVQIHV-FQEVSTJZSA-N 1 1 384.411 3.568 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000477255936 877289344 /nfs/dbraw/zinc/28/93/44/877289344.db2.gz NLIRFXVZPKYTEQ-OAQYLSRUSA-N 1 1 395.503 3.899 20 5 GHBDMO C[C@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000477253948 877305068 /nfs/dbraw/zinc/30/50/68/877305068.db2.gz IRDJHKAVWNYIHJ-BTYIYWSLSA-N 1 1 399.466 3.864 20 5 GHBDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000787323357 877346953 /nfs/dbraw/zinc/34/69/53/877346953.db2.gz WYYFPUJPZCTUND-CYBMUJFWSA-N 1 1 377.338 3.725 20 5 GHBDMO CCOc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000492725413 877425212 /nfs/dbraw/zinc/42/52/12/877425212.db2.gz XNJSKARURKAWJS-KRWDZBQOSA-N 1 1 398.463 3.548 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000492783865 877537887 /nfs/dbraw/zinc/53/78/87/877537887.db2.gz MYQTXSNTUDXCGD-QGZVFWFLSA-N 1 1 393.447 3.768 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)o2)c1 ZINC000451347687 877796876 /nfs/dbraw/zinc/79/68/76/877796876.db2.gz UKYJYZWPYCNYOY-QRVBRYPASA-N 1 1 385.464 3.808 20 5 GHBDMO CC[N@H+](CCC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1)CC1CC1 ZINC000492937312 877808339 /nfs/dbraw/zinc/80/83/39/877808339.db2.gz RHFFNUUOMVPXMU-UHFFFAOYSA-N 1 1 375.513 3.937 20 5 GHBDMO CC[N@@H+](CCC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1)CC1CC1 ZINC000492937312 877808347 /nfs/dbraw/zinc/80/83/47/877808347.db2.gz RHFFNUUOMVPXMU-UHFFFAOYSA-N 1 1 375.513 3.937 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851853915 877942871 /nfs/dbraw/zinc/94/28/71/877942871.db2.gz MMNRIKMTGNQLHU-KGLIPLIRSA-N 1 1 381.448 3.859 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851853915 877942875 /nfs/dbraw/zinc/94/28/75/877942875.db2.gz MMNRIKMTGNQLHU-KGLIPLIRSA-N 1 1 381.448 3.859 20 5 GHBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000477645537 877971617 /nfs/dbraw/zinc/97/16/17/877971617.db2.gz VNWDZKSMCSUDIP-UHFFFAOYSA-N 1 1 383.473 3.738 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC(F)(c4ccccc4)CC3)n2)cc1 ZINC000788371002 878036456 /nfs/dbraw/zinc/03/64/56/878036456.db2.gz AQEGYOJQHFMGOW-UHFFFAOYSA-N 1 1 381.411 3.772 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000530553124 878048442 /nfs/dbraw/zinc/04/84/42/878048442.db2.gz OGDWZVZOZMIHFT-SFHVURJKSA-N 1 1 384.432 3.656 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451630807 878242953 /nfs/dbraw/zinc/24/29/53/878242953.db2.gz UIHPDEZYPWJLOH-MJGOQNOKSA-N 1 1 387.480 3.513 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592330 878281274 /nfs/dbraw/zinc/28/12/74/878281274.db2.gz LCRMDSBDBAUVRZ-GOSISDBHSA-N 1 1 391.855 3.632 20 5 GHBDMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592330 878281290 /nfs/dbraw/zinc/28/12/90/878281290.db2.gz LCRMDSBDBAUVRZ-GOSISDBHSA-N 1 1 391.855 3.632 20 5 GHBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000852514948 878387636 /nfs/dbraw/zinc/38/76/36/878387636.db2.gz MQQSAPKPLNTEFP-CVEARBPZSA-N 1 1 385.247 3.600 20 5 GHBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000852514948 878387648 /nfs/dbraw/zinc/38/76/48/878387648.db2.gz MQQSAPKPLNTEFP-CVEARBPZSA-N 1 1 385.247 3.600 20 5 GHBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000493114760 878434689 /nfs/dbraw/zinc/43/46/89/878434689.db2.gz UGGWNUWSDBIFAH-SFTDATJTSA-N 1 1 394.475 3.564 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000460712486 878476126 /nfs/dbraw/zinc/47/61/26/878476126.db2.gz BHOVYICQUXGNHP-QGZVFWFLSA-N 1 1 381.476 3.828 20 5 GHBDMO COc1cc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000451917041 878645724 /nfs/dbraw/zinc/64/57/24/878645724.db2.gz WLMONONGNNNTBU-QGZVFWFLSA-N 1 1 385.247 3.908 20 5 GHBDMO CCC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCc2cccnc21 ZINC000774606444 912374454 /nfs/dbraw/zinc/37/44/54/912374454.db2.gz ZWIUYGZHMIIJHE-INIZCTEOSA-N 1 1 382.420 3.645 20 5 GHBDMO CCC[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCc2cccnc21 ZINC000774606444 912374474 /nfs/dbraw/zinc/37/44/74/912374474.db2.gz ZWIUYGZHMIIJHE-INIZCTEOSA-N 1 1 382.420 3.645 20 5 GHBDMO CC(C)[C@H](CO)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000530929092 878794461 /nfs/dbraw/zinc/79/44/61/878794461.db2.gz UUBUNUMVVOHPDK-IBGZPJMESA-N 1 1 396.447 3.664 20 5 GHBDMO CC(C)[C@H](CO)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000530929092 878794481 /nfs/dbraw/zinc/79/44/81/878794481.db2.gz UUBUNUMVVOHPDK-IBGZPJMESA-N 1 1 396.447 3.664 20 5 GHBDMO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000538146390 878946599 /nfs/dbraw/zinc/94/65/99/878946599.db2.gz YFKTZVRDOPOIKI-GFCCVEGCSA-N 1 1 379.363 3.510 20 5 GHBDMO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000789593197 879102165 /nfs/dbraw/zinc/10/21/65/879102165.db2.gz AAYPGRHQOGCYSA-HXUWFJFHSA-N 1 1 381.476 3.951 20 5 GHBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000789593197 879102174 /nfs/dbraw/zinc/10/21/74/879102174.db2.gz AAYPGRHQOGCYSA-HXUWFJFHSA-N 1 1 381.476 3.951 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000795692834 912421374 /nfs/dbraw/zinc/42/13/74/912421374.db2.gz HCWRLIYPGMLJGR-HKBOAZHASA-N 1 1 392.459 3.715 20 5 GHBDMO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512891 879203269 /nfs/dbraw/zinc/20/32/69/879203269.db2.gz ZNGYGIMIIGZVLP-UHFFFAOYSA-N 1 1 378.812 3.626 20 5 GHBDMO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512891 879203286 /nfs/dbraw/zinc/20/32/86/879203286.db2.gz ZNGYGIMIIGZVLP-UHFFFAOYSA-N 1 1 378.812 3.626 20 5 GHBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000178983946 879304546 /nfs/dbraw/zinc/30/45/46/879304546.db2.gz HUZIQEJSCGOQTO-UHFFFAOYSA-N 1 1 391.515 3.818 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000180982492 879551950 /nfs/dbraw/zinc/55/19/50/879551950.db2.gz YGGAFTJQCDDALH-OAHLLOKOSA-N 1 1 379.526 3.946 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494128056 879955658 /nfs/dbraw/zinc/95/56/58/879955658.db2.gz SHLRGOWBBPAFFA-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000031766494 879981518 /nfs/dbraw/zinc/98/15/18/879981518.db2.gz NYKOZQGBTIKFPE-UHFFFAOYSA-N 1 1 387.867 3.905 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000598218880 880666132 /nfs/dbraw/zinc/66/61/32/880666132.db2.gz INYFFKWALHPZDZ-INIZCTEOSA-N 1 1 375.469 3.519 20 5 GHBDMO COc1cc(F)cc(C[C@H](C)[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000453381520 880835832 /nfs/dbraw/zinc/83/58/32/880835832.db2.gz BCRGGVGFBGZOLA-XOBRGWDASA-N 1 1 398.438 3.786 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000499118008 881188973 /nfs/dbraw/zinc/18/89/73/881188973.db2.gz ZXEDVAOIFYPICD-SQGPQFPESA-N 1 1 396.491 3.926 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1CNc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000551086623 883264610 /nfs/dbraw/zinc/26/46/10/883264610.db2.gz VYVVSFXJTUAZGR-OAQYLSRUSA-N 1 1 396.491 3.682 20 5 GHBDMO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1C ZINC001183617489 912702703 /nfs/dbraw/zinc/70/27/03/912702703.db2.gz DFONNTKPUGKQKV-MRXNPFEDSA-N 1 1 389.839 3.848 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000609908975 883791064 /nfs/dbraw/zinc/79/10/64/883791064.db2.gz JHPYDZXYHUNIDB-IRXDYDNUSA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000609908975 883791073 /nfs/dbraw/zinc/79/10/73/883791073.db2.gz JHPYDZXYHUNIDB-IRXDYDNUSA-N 1 1 399.516 3.808 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859801523 884076146 /nfs/dbraw/zinc/07/61/46/884076146.db2.gz SGHYZIUZRRTOPI-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001130368816 884096211 /nfs/dbraw/zinc/09/62/11/884096211.db2.gz AVHCUBVGXNYIOA-ARFHVFGLSA-N 1 1 382.464 3.892 20 5 GHBDMO Cc1c(CC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC001130458495 884262930 /nfs/dbraw/zinc/26/29/30/884262930.db2.gz OIQIVJOPLJLXRE-WDSOQIARSA-N 1 1 395.503 3.956 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cc1F ZINC000860104023 884329594 /nfs/dbraw/zinc/32/95/94/884329594.db2.gz FCUPUYQASKKIPA-CYBMUJFWSA-N 1 1 375.356 3.640 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cc1F ZINC000860104023 884329616 /nfs/dbraw/zinc/32/96/16/884329616.db2.gz FCUPUYQASKKIPA-CYBMUJFWSA-N 1 1 375.356 3.640 20 5 GHBDMO CC(C)(C)Oc1cccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000860780891 884996656 /nfs/dbraw/zinc/99/66/56/884996656.db2.gz QSYNOGMOWLLISX-KRWDZBQOSA-N 1 1 399.447 3.598 20 5 GHBDMO CC(C)(C)Oc1cccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000860780891 884996668 /nfs/dbraw/zinc/99/66/68/884996668.db2.gz QSYNOGMOWLLISX-KRWDZBQOSA-N 1 1 399.447 3.598 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000556507816 885171169 /nfs/dbraw/zinc/17/11/69/885171169.db2.gz OBJLHGRTLVPDEH-UHFFFAOYSA-N 1 1 381.432 3.721 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249044462 885862827 /nfs/dbraw/zinc/86/28/27/885862827.db2.gz VSCQNZWLBRFHCB-OWZKRDHZSA-N 1 1 381.476 3.889 20 5 GHBDMO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000532538193 885936884 /nfs/dbraw/zinc/93/68/84/885936884.db2.gz LRLODJMQOOPPIG-AWEZNQCLSA-N 1 1 396.919 3.627 20 5 GHBDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000747468435 886158238 /nfs/dbraw/zinc/15/82/38/886158238.db2.gz RJIVGEXSJDGVCC-FUHWJXTLSA-N 1 1 377.448 3.764 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccccc1N(C)C ZINC000808785620 886774168 /nfs/dbraw/zinc/77/41/68/886774168.db2.gz NIDLDCAFHRYQQY-CYBMUJFWSA-N 1 1 390.871 3.773 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccccc1N(C)C ZINC000808785620 886774175 /nfs/dbraw/zinc/77/41/75/886774175.db2.gz NIDLDCAFHRYQQY-CYBMUJFWSA-N 1 1 390.871 3.773 20 5 GHBDMO CN1CC[NH+](C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccccc2)CC1 ZINC000536537384 886846671 /nfs/dbraw/zinc/84/66/71/886846671.db2.gz NTJWMSMINJRXFW-OAQYLSRUSA-N 1 1 391.475 3.544 20 5 GHBDMO C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272333760 887106436 /nfs/dbraw/zinc/10/64/36/887106436.db2.gz XAZNQGZBIUCVRJ-DZGCQCFKSA-N 1 1 389.402 3.513 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000495891704 887239015 /nfs/dbraw/zinc/23/90/15/887239015.db2.gz CDLYRZWFNKSCTD-MRXNPFEDSA-N 1 1 379.526 3.947 20 5 GHBDMO C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000272527016 887632686 /nfs/dbraw/zinc/63/26/86/887632686.db2.gz MFWUVKDIUMDTDE-UTKZUKDTSA-N 1 1 393.491 3.528 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794640777 887670761 /nfs/dbraw/zinc/67/07/61/887670761.db2.gz SECJTPNECUOQAN-CXAGYDPISA-N 1 1 383.404 3.552 20 5 GHBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794640777 887670764 /nfs/dbraw/zinc/67/07/64/887670764.db2.gz SECJTPNECUOQAN-CXAGYDPISA-N 1 1 383.404 3.552 20 5 GHBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000809968522 888010659 /nfs/dbraw/zinc/01/06/59/888010659.db2.gz DGCHXFSVHNZHOQ-GOEBONIOSA-N 1 1 399.278 3.723 20 5 GHBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000809968522 888010667 /nfs/dbraw/zinc/01/06/67/888010667.db2.gz DGCHXFSVHNZHOQ-GOEBONIOSA-N 1 1 399.278 3.723 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000301107241 888391395 /nfs/dbraw/zinc/39/13/95/888391395.db2.gz SRUNZTOVHOPRFK-UHFFFAOYSA-N 1 1 388.225 3.859 20 5 GHBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000810617774 888683955 /nfs/dbraw/zinc/68/39/55/888683955.db2.gz GDVLJYROIIZMMN-HNNXBMFYSA-N 1 1 395.415 3.924 20 5 GHBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000810617754 888684384 /nfs/dbraw/zinc/68/43/84/888684384.db2.gz FXECGOHBGWWDEG-CABCVRRESA-N 1 1 386.452 3.582 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000532926627 889294538 /nfs/dbraw/zinc/29/45/38/889294538.db2.gz XUEBBTROEMBNAO-LBPRGKRZSA-N 1 1 393.390 3.903 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000532926627 889294549 /nfs/dbraw/zinc/29/45/49/889294549.db2.gz XUEBBTROEMBNAO-LBPRGKRZSA-N 1 1 393.390 3.903 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H]1C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532930534 889308383 /nfs/dbraw/zinc/30/83/83/889308383.db2.gz XPGZMZGGSPPQTQ-INIZCTEOSA-N 1 1 396.285 3.950 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H]1C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532930534 889308398 /nfs/dbraw/zinc/30/83/98/889308398.db2.gz XPGZMZGGSPPQTQ-INIZCTEOSA-N 1 1 396.285 3.950 20 5 GHBDMO O=C(C[N@H+](Cc1ccc(F)cc1)CC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532976726 889436467 /nfs/dbraw/zinc/43/64/67/889436467.db2.gz PWMJJBMAKJILEJ-UHFFFAOYSA-N 1 1 383.423 3.535 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000796146658 913370313 /nfs/dbraw/zinc/37/03/13/913370313.db2.gz RZAFRZMVDWKNDK-LLVKDONJSA-N 1 1 393.793 3.529 20 5 GHBDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000796146658 913370323 /nfs/dbraw/zinc/37/03/23/913370323.db2.gz RZAFRZMVDWKNDK-LLVKDONJSA-N 1 1 393.793 3.529 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(Cl)cc1 ZINC000533251099 890092556 /nfs/dbraw/zinc/09/25/56/890092556.db2.gz BXQKTPHNMVEPSF-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(Cl)cc1 ZINC000533251099 890092569 /nfs/dbraw/zinc/09/25/69/890092569.db2.gz BXQKTPHNMVEPSF-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO COc1ccc2c(c1)CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000533273092 890142516 /nfs/dbraw/zinc/14/25/16/890142516.db2.gz XCIHENSNVKUVTF-UHFFFAOYSA-N 1 1 383.448 3.689 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000533280588 890217908 /nfs/dbraw/zinc/21/79/08/890217908.db2.gz HSOAWLRSWNFZEK-KOHRHEQBSA-N 1 1 389.496 3.982 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000533300257 890243114 /nfs/dbraw/zinc/24/31/14/890243114.db2.gz LSTRZIQGWQDORZ-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000191782322 890312584 /nfs/dbraw/zinc/31/25/84/890312584.db2.gz YGAYZRIBQLXKOR-UHFFFAOYSA-N 1 1 399.495 3.506 20 5 GHBDMO CSCc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813170851 891328750 /nfs/dbraw/zinc/32/87/50/891328750.db2.gz ZNFQGEGTWQYEQU-IBGZPJMESA-N 1 1 386.473 3.889 20 5 GHBDMO CSCc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813170851 891328758 /nfs/dbraw/zinc/32/87/58/891328758.db2.gz ZNFQGEGTWQYEQU-IBGZPJMESA-N 1 1 386.473 3.889 20 5 GHBDMO COc1ccc(C(C)(C)C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813173227 891336836 /nfs/dbraw/zinc/33/68/36/891336836.db2.gz VVEBIPOAHJCBGK-FQEVSTJZSA-N 1 1 398.459 3.699 20 5 GHBDMO COc1ccc(C(C)(C)C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000813173227 891336852 /nfs/dbraw/zinc/33/68/52/891336852.db2.gz VVEBIPOAHJCBGK-FQEVSTJZSA-N 1 1 398.459 3.699 20 5 GHBDMO Cc1ccc([C@@H](C)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000191837713 891563712 /nfs/dbraw/zinc/56/37/12/891563712.db2.gz BRITUFCBBNCJLI-NQIIRXRSSA-N 1 1 383.492 3.845 20 5 GHBDMO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000191837713 891563718 /nfs/dbraw/zinc/56/37/18/891563718.db2.gz BRITUFCBBNCJLI-NQIIRXRSSA-N 1 1 383.492 3.845 20 5 GHBDMO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000498009352 892980356 /nfs/dbraw/zinc/98/03/56/892980356.db2.gz QFYXGSMYVLGZBV-HKUYNNGSSA-N 1 1 397.475 3.658 20 5 GHBDMO Cc1c(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933341772 893010382 /nfs/dbraw/zinc/01/03/82/893010382.db2.gz RWMGHEXIGZWGIY-VXGBXAGGSA-N 1 1 386.374 3.670 20 5 GHBDMO CC(=O)c1ccc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000428658191 893097137 /nfs/dbraw/zinc/09/71/37/893097137.db2.gz QVWPZLZVCGUATI-GOSISDBHSA-N 1 1 385.489 3.827 20 5 GHBDMO CC(=O)c1ccc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000428658191 893097159 /nfs/dbraw/zinc/09/71/59/893097159.db2.gz QVWPZLZVCGUATI-GOSISDBHSA-N 1 1 385.489 3.827 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000533850879 893240601 /nfs/dbraw/zinc/24/06/01/893240601.db2.gz VJCOXKOIAZBFMB-HXUWFJFHSA-N 1 1 382.464 3.702 20 5 GHBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533850879 893240610 /nfs/dbraw/zinc/24/06/10/893240610.db2.gz VJCOXKOIAZBFMB-HXUWFJFHSA-N 1 1 382.464 3.702 20 5 GHBDMO CN(CC(F)F)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000815071037 893413243 /nfs/dbraw/zinc/41/32/43/893413243.db2.gz MCWBQWJFLAEWCE-UHFFFAOYSA-N 1 1 381.345 3.775 20 5 GHBDMO COc1cc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000536668314 893488809 /nfs/dbraw/zinc/48/88/09/893488809.db2.gz SUQMBICDWOYSIX-SFHVURJKSA-N 1 1 385.464 3.713 20 5 GHBDMO O=C(c1ccccc1Cl)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000934421642 893627577 /nfs/dbraw/zinc/62/75/77/893627577.db2.gz PYTHBEHJZZPOEY-LJQANCHMSA-N 1 1 388.851 3.877 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778252487 893698435 /nfs/dbraw/zinc/69/84/35/893698435.db2.gz LABSHPAOOKQULT-JKIFEVAISA-N 1 1 381.423 3.550 20 5 GHBDMO COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000459658979 894005306 /nfs/dbraw/zinc/00/53/06/894005306.db2.gz JTBXGADOVUVLMQ-MRXNPFEDSA-N 1 1 388.386 3.784 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459668034 894031667 /nfs/dbraw/zinc/03/16/67/894031667.db2.gz SZRKQVROWWWVOR-MRXNPFEDSA-N 1 1 388.386 3.655 20 5 GHBDMO COc1ccc([C@@H]2CC[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)cc1F ZINC000879065067 894817651 /nfs/dbraw/zinc/81/76/51/894817651.db2.gz SCHFZULWBNNJBG-CQSZACIVSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)cc1F ZINC000879065067 894817661 /nfs/dbraw/zinc/81/76/61/894817661.db2.gz SCHFZULWBNNJBG-CQSZACIVSA-N 1 1 398.394 3.782 20 5 GHBDMO COc1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000564402872 894939155 /nfs/dbraw/zinc/93/91/55/894939155.db2.gz ARZWGORQSKLDMK-WOJBJXKFSA-N 1 1 381.476 3.557 20 5 GHBDMO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000816634312 895011896 /nfs/dbraw/zinc/01/18/96/895011896.db2.gz DQLNCUYQHQHVBV-QGZVFWFLSA-N 1 1 378.425 3.656 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000817021520 895265550 /nfs/dbraw/zinc/26/55/50/895265550.db2.gz LAIJJFJVAPWAAQ-NSHDSACASA-N 1 1 386.279 3.848 20 5 GHBDMO O=C(C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)NCc1ccc(F)cc1 ZINC000564916820 895309577 /nfs/dbraw/zinc/30/95/77/895309577.db2.gz TZYIZEIRVYGXOF-SFHVURJKSA-N 1 1 385.439 3.652 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000880319445 895636882 /nfs/dbraw/zinc/63/68/82/895636882.db2.gz GUMFXYDJSQSURD-NSHDSACASA-N 1 1 399.419 3.693 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881226259 896250425 /nfs/dbraw/zinc/25/04/25/896250425.db2.gz NKJWUANNLHQABC-IBGZPJMESA-N 1 1 381.411 3.541 20 5 GHBDMO C[C@@H](NC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000819066074 896383563 /nfs/dbraw/zinc/38/35/63/896383563.db2.gz SUUPAYIFEAIDPE-UTKZUKDTSA-N 1 1 383.492 3.881 20 5 GHBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC001136219308 896704412 /nfs/dbraw/zinc/70/44/12/896704412.db2.gz PVBSQEAOENJFJJ-QGZVFWFLSA-N 1 1 391.830 3.954 20 5 GHBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000567033330 896816544 /nfs/dbraw/zinc/81/65/44/896816544.db2.gz VSWBDXJSGMQDAO-QZTJIDSGSA-N 1 1 380.448 3.581 20 5 GHBDMO Cc1nn(C[NH+]2CCC3(CC2)OCCc2ccsc23)c2ccc([N+](=O)[O-])cc12 ZINC000778577685 897029744 /nfs/dbraw/zinc/02/97/44/897029744.db2.gz KHFORTCPGSQVRC-UHFFFAOYSA-N 1 1 398.488 3.836 20 5 GHBDMO CCC[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001185930474 914210920 /nfs/dbraw/zinc/21/09/20/914210920.db2.gz LCLOBOOYYLJZRI-GOSISDBHSA-N 1 1 379.464 3.733 20 5 GHBDMO Cn1ccnc1[C@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000569248694 898465775 /nfs/dbraw/zinc/46/57/75/898465775.db2.gz CLQCDFAKXMZNOJ-NHCUHLMSSA-N 1 1 397.523 3.804 20 5 GHBDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823243348 898937825 /nfs/dbraw/zinc/93/78/25/898937825.db2.gz JIQGLEHZJONYQI-SJLPKXTDSA-N 1 1 378.469 3.605 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000823529427 899073401 /nfs/dbraw/zinc/07/34/01/899073401.db2.gz OPZVBPMWLUMWLF-MRXNPFEDSA-N 1 1 377.828 3.717 20 5 GHBDMO Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[nH+]1 ZINC001136758302 899168320 /nfs/dbraw/zinc/16/83/20/899168320.db2.gz RNNBJUFRHGGKGE-CQSZACIVSA-N 1 1 388.855 3.977 20 5 GHBDMO NC(=O)c1ccc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000571868238 899999444 /nfs/dbraw/zinc/99/94/44/899999444.db2.gz AVCIBRUZLRXFBB-UHFFFAOYSA-N 1 1 380.231 3.779 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H](O)C[C@@H]3c3ccc(F)cc3)o2)c1 ZINC000572383911 900164149 /nfs/dbraw/zinc/16/41/49/900164149.db2.gz SDCIRUSSMRQDNM-RBUKOAKNSA-N 1 1 397.406 3.739 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000843883379 900285574 /nfs/dbraw/zinc/28/55/74/900285574.db2.gz GJAYRBKNSFNLAB-JOCHJYFZSA-N 1 1 397.450 3.781 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000045622702 900306522 /nfs/dbraw/zinc/30/65/22/900306522.db2.gz UNWXNRTWVSHGHT-QGZVFWFLSA-N 1 1 396.491 3.826 20 5 GHBDMO C[C@H]1CC2(C[N@H+]1Cc1cccnc1[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC2 ZINC000886251733 900910100 /nfs/dbraw/zinc/91/01/00/900910100.db2.gz JWOZGHWDFJGLJN-HNNXBMFYSA-N 1 1 390.484 3.601 20 5 GHBDMO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCc2ccc(F)cc21 ZINC000844760282 901241948 /nfs/dbraw/zinc/24/19/48/901241948.db2.gz OZHMVSNKOKMWKU-CQSZACIVSA-N 1 1 381.411 3.612 20 5 GHBDMO C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCc2ccc(F)cc21 ZINC000844760282 901241957 /nfs/dbraw/zinc/24/19/57/901241957.db2.gz OZHMVSNKOKMWKU-CQSZACIVSA-N 1 1 381.411 3.612 20 5 GHBDMO CC(=O)N[C@H](C(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C)C(C)C ZINC001144365957 901910809 /nfs/dbraw/zinc/91/08/09/901910809.db2.gz PMKUGOJSTPWQCW-QFIPXVFZSA-N 1 1 392.503 3.862 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)co2)cc1 ZINC000576506231 902065237 /nfs/dbraw/zinc/06/52/37/902065237.db2.gz NMTVLZUZPZWYSV-FQEVSTJZSA-N 1 1 390.443 3.887 20 5 GHBDMO Cc1ccnc([C@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000576595561 902117062 /nfs/dbraw/zinc/11/70/62/902117062.db2.gz NJUHIPBJRIGNDD-ZBFHGGJFSA-N 1 1 379.420 3.899 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778971045 902363517 /nfs/dbraw/zinc/36/35/17/902363517.db2.gz ANRRGEVDQCAAGL-GXTWGEPZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778971045 902363525 /nfs/dbraw/zinc/36/35/25/902363525.db2.gz ANRRGEVDQCAAGL-GXTWGEPZSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000778971947 902372229 /nfs/dbraw/zinc/37/22/29/902372229.db2.gz CYJSWGXWUAMPOO-CVEARBPZSA-N 1 1 393.484 3.599 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000778982358 902494574 /nfs/dbraw/zinc/49/45/74/902494574.db2.gz KXHMIYPWHDMESE-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000778982358 902494581 /nfs/dbraw/zinc/49/45/81/902494581.db2.gz KXHMIYPWHDMESE-CHWSQXEVSA-N 1 1 383.876 3.983 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000577253378 902621068 /nfs/dbraw/zinc/62/10/68/902621068.db2.gz FYKKGDDGPVXKBV-SFHVURJKSA-N 1 1 397.475 3.805 20 5 GHBDMO COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000577253378 902621073 /nfs/dbraw/zinc/62/10/73/902621073.db2.gz FYKKGDDGPVXKBV-SFHVURJKSA-N 1 1 397.475 3.805 20 5 GHBDMO COCc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000131082426 903055679 /nfs/dbraw/zinc/05/56/79/903055679.db2.gz DHMVJIWVPAHBJR-GOSISDBHSA-N 1 1 387.436 3.808 20 5 GHBDMO COc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000132554648 903274071 /nfs/dbraw/zinc/27/40/71/903274071.db2.gz HIXBLWYLXCWIRY-VQIMIIECSA-N 1 1 397.475 3.729 20 5 GHBDMO C[C@H]1COCC[N@H+]1C1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000846916141 903302405 /nfs/dbraw/zinc/30/24/05/903302405.db2.gz CMXREYUDSXTQSE-LBPRGKRZSA-N 1 1 388.295 3.587 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000601203129 903456182 /nfs/dbraw/zinc/45/61/82/903456182.db2.gz COZNBHOPQAXROX-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000601203129 903456188 /nfs/dbraw/zinc/45/61/88/903456188.db2.gz COZNBHOPQAXROX-OKILXGFUSA-N 1 1 387.411 3.595 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000136127072 903761748 /nfs/dbraw/zinc/76/17/48/903761748.db2.gz UUYJFGUPYCZSNX-OAHLLOKOSA-N 1 1 385.468 3.688 20 5 GHBDMO CCOC(=O)c1cc(NCc2cc(C)[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000578567570 903968658 /nfs/dbraw/zinc/96/86/58/903968658.db2.gz JLGKHSNVRCHOLV-UHFFFAOYSA-N 1 1 384.436 3.687 20 5 GHBDMO O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000153079214 904328311 /nfs/dbraw/zinc/32/83/11/904328311.db2.gz LNLDWJZTUFRYQL-HNNXBMFYSA-N 1 1 397.460 3.552 20 5 GHBDMO CC[N@H+](CCOc1ccccc1C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001171354840 904345746 /nfs/dbraw/zinc/34/57/46/904345746.db2.gz VWCBVXCHYLZDBV-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO CC[N@@H+](CCOc1ccccc1C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001171354840 904345761 /nfs/dbraw/zinc/34/57/61/904345761.db2.gz VWCBVXCHYLZDBV-UHFFFAOYSA-N 1 1 391.855 3.896 20 5 GHBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC[C@H]21 ZINC001171813866 905072334 /nfs/dbraw/zinc/07/23/34/905072334.db2.gz CZJCZQQQUJMPKW-RDTXWAMCSA-N 1 1 389.521 3.796 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](COCc4ccccc4)C3)n2)c1 ZINC000173989500 905178947 /nfs/dbraw/zinc/17/89/47/905178947.db2.gz ANIUGFWSBQORIQ-KRWDZBQOSA-N 1 1 394.431 3.684 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801582086 921160039 /nfs/dbraw/zinc/16/00/39/921160039.db2.gz RYBMUDWFHFFFOG-JOCHJYFZSA-N 1 1 384.476 3.908 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801600367 921178051 /nfs/dbraw/zinc/17/80/51/921178051.db2.gz PBJIHRZIVASJLQ-KRWDZBQOSA-N 1 1 377.485 3.716 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1Br ZINC000801599744 921178166 /nfs/dbraw/zinc/17/81/66/921178166.db2.gz BGQVWHASHDLTQN-QGZVFWFLSA-N 1 1 379.254 3.565 20 5 GHBDMO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904354 905927047 /nfs/dbraw/zinc/92/70/47/905927047.db2.gz XOBNXWHDRPDZIY-KNQAVFIVSA-N 1 1 382.460 3.606 20 5 GHBDMO COC(C[N@@H+](Cc1ccccc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)OC ZINC001172904965 905929310 /nfs/dbraw/zinc/92/93/10/905929310.db2.gz BPODMMPALRPRBI-HXUWFJFHSA-N 1 1 384.476 3.963 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[NH+](CCc3cccs3)CC1)CC2 ZINC001172915576 905989053 /nfs/dbraw/zinc/98/90/53/905989053.db2.gz PDHUAVMHBFSMAU-LJQANCHMSA-N 1 1 385.533 3.764 20 5 GHBDMO O=C(C1CCCCC1)N1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172920971 905990338 /nfs/dbraw/zinc/99/03/38/905990338.db2.gz MVRDUPBYUDZTRJ-OAQYLSRUSA-N 1 1 399.535 3.957 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCc3ncnc(C4CC4)c3CC1)CC2 ZINC001172909527 906016733 /nfs/dbraw/zinc/01/67/33/906016733.db2.gz IDNGIGWCUJENKK-GOSISDBHSA-N 1 1 378.476 3.610 20 5 GHBDMO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911233 906018873 /nfs/dbraw/zinc/01/88/73/906018873.db2.gz HSZBWWLDJRXOBB-CTNGQTDRSA-N 1 1 382.460 3.606 20 5 GHBDMO O=C1CC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@H]2CCCC[C@@H]12 ZINC001173010553 906086464 /nfs/dbraw/zinc/08/64/64/906086464.db2.gz USSRAWANFSAVSR-QAPCUYQASA-N 1 1 393.434 3.675 20 5 GHBDMO CC(C)[N@@H+](C1CCN(C)CC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173019425 906096456 /nfs/dbraw/zinc/09/64/56/906096456.db2.gz LAZMZQVXFMJWRT-UHFFFAOYSA-N 1 1 396.482 3.646 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)c1F ZINC001173175947 906252153 /nfs/dbraw/zinc/25/21/53/906252153.db2.gz DTKCJZKOECKDAX-LBPRGKRZSA-N 1 1 386.383 3.513 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1F ZINC001173180759 906259566 /nfs/dbraw/zinc/25/95/66/906259566.db2.gz MXOZHLBNLYDEFQ-ZDUSSCGKSA-N 1 1 390.411 3.577 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CC[N@H+](CC3CCCCC3)C2)c1F ZINC001173182487 906262860 /nfs/dbraw/zinc/26/28/60/906262860.db2.gz SYTOKKMMFAASPU-WBVHZDCISA-N 1 1 393.503 3.918 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)c1F ZINC001173182487 906262880 /nfs/dbraw/zinc/26/28/80/906262880.db2.gz SYTOKKMMFAASPU-WBVHZDCISA-N 1 1 393.503 3.918 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1F ZINC001173189683 906269995 /nfs/dbraw/zinc/26/99/95/906269995.db2.gz LTFRTRUBSBIFKC-KGLIPLIRSA-N 1 1 396.459 3.727 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173221428 906299391 /nfs/dbraw/zinc/29/93/91/906299391.db2.gz IIXRFYMJZAVSFK-MAUKXSAKSA-N 1 1 377.485 3.857 20 5 GHBDMO CCn1ncc2c1C[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C[C@@H]2COCC1CC1 ZINC001173221864 906299761 /nfs/dbraw/zinc/29/97/61/906299761.db2.gz MUJPJETZJDSXNA-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO CCn1ncc2c1C[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C[C@@H]2COCC1CC1 ZINC001173221864 906299777 /nfs/dbraw/zinc/29/97/77/906299777.db2.gz MUJPJETZJDSXNA-VQIMIIECSA-N 1 1 398.507 3.768 20 5 GHBDMO CCn1ncc2c1C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C[C@@H]2COCC1CC1 ZINC001173221863 906299982 /nfs/dbraw/zinc/29/99/82/906299982.db2.gz MUJPJETZJDSXNA-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO CCn1ncc2c1C[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C[C@@H]2COCC1CC1 ZINC001173221863 906299995 /nfs/dbraw/zinc/29/99/95/906299995.db2.gz MUJPJETZJDSXNA-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO COc1ccccc1CC1([NH3+])CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173223321 906303952 /nfs/dbraw/zinc/30/39/52/906303952.db2.gz ICRNMOADOHUUBE-QGZVFWFLSA-N 1 1 383.492 3.570 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001173225963 906308637 /nfs/dbraw/zinc/30/86/37/906308637.db2.gz GTPGSTHFKVMLRY-DGCLKSJQSA-N 1 1 384.358 3.807 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001173228444 906312408 /nfs/dbraw/zinc/31/24/08/906312408.db2.gz RFVHOMRRGCBHGX-XUFNMVPLSA-N 1 1 397.475 3.622 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001173228767 906313039 /nfs/dbraw/zinc/31/30/39/906313039.db2.gz SHLHSYQBNUDGHF-OPAMFIHVSA-N 1 1 397.450 3.794 20 5 GHBDMO CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173234175 906321276 /nfs/dbraw/zinc/32/12/76/906321276.db2.gz PGPNIPUXERLQCW-MAUKXSAKSA-N 1 1 377.485 3.857 20 5 GHBDMO COc1cc(C[N@H+]2CCSC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000190843444 906347035 /nfs/dbraw/zinc/34/70/35/906347035.db2.gz ZVRXCOALJSRZBH-LLVKDONJSA-N 1 1 394.415 3.729 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)nc2c1 ZINC000179749271 906583510 /nfs/dbraw/zinc/58/35/10/906583510.db2.gz YBYXGJQOFQSJHG-HXUWFJFHSA-N 1 1 381.388 3.748 20 5 GHBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191475767 907027781 /nfs/dbraw/zinc/02/77/81/907027781.db2.gz OYFXMYWZTJIEMK-FQEVSTJZSA-N 1 1 381.432 3.939 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])cc1F ZINC000184302307 907556532 /nfs/dbraw/zinc/55/65/32/907556532.db2.gz ISHCBLIYSDLDQQ-GFCCVEGCSA-N 1 1 378.400 3.919 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)O1 ZINC001175678437 907688767 /nfs/dbraw/zinc/68/87/67/907688767.db2.gz QIUYPWBQWVDDCR-VGSWGCGISA-N 1 1 399.466 3.599 20 5 GHBDMO CC[C@@](C)(O)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000189726056 908369113 /nfs/dbraw/zinc/36/91/13/908369113.db2.gz BHXOHXFVALPDSX-OAQYLSRUSA-N 1 1 396.447 3.808 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000189726056 908369119 /nfs/dbraw/zinc/36/91/19/908369119.db2.gz BHXOHXFVALPDSX-OAQYLSRUSA-N 1 1 396.447 3.808 20 5 GHBDMO C[C@H]1CCC[N@H+](CCCCNCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001177299266 908501759 /nfs/dbraw/zinc/50/17/59/908501759.db2.gz MXXATQSZSMNANE-AWEZNQCLSA-N 1 1 384.318 3.959 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCNCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001177299266 908501761 /nfs/dbraw/zinc/50/17/61/908501761.db2.gz MXXATQSZSMNANE-AWEZNQCLSA-N 1 1 384.318 3.959 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000194228808 908869425 /nfs/dbraw/zinc/86/94/25/908869425.db2.gz JIYPRMAKWXMLCO-HKUYNNGSSA-N 1 1 396.491 3.786 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)nc1-c1ccncc1 ZINC000779889960 909062802 /nfs/dbraw/zinc/06/28/02/909062802.db2.gz RZSCENZPFUZYAE-SGQUHAKNSA-N 1 1 375.432 3.989 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)nc1-c1ccncc1 ZINC000779889960 909062816 /nfs/dbraw/zinc/06/28/16/909062816.db2.gz RZSCENZPFUZYAE-SGQUHAKNSA-N 1 1 375.432 3.989 20 5 GHBDMO C[C@@H](O)CC[N@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000245463732 909660276 /nfs/dbraw/zinc/66/02/76/909660276.db2.gz XMQCXQMCMLQMQX-FZKQIMNGSA-N 1 1 391.855 3.631 20 5 GHBDMO C[C@@H](O)CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000245463732 909660283 /nfs/dbraw/zinc/66/02/83/909660283.db2.gz XMQCXQMCMLQMQX-FZKQIMNGSA-N 1 1 391.855 3.631 20 5 GHBDMO COc1cc(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)c([N+](=O)[O-])cc1F ZINC001274416528 909848516 /nfs/dbraw/zinc/84/85/16/909848516.db2.gz AZXJRYKLEBYDCR-UHFFFAOYSA-N 1 1 384.367 3.797 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c1 ZINC000271653390 911004101 /nfs/dbraw/zinc/00/41/01/911004101.db2.gz SQUBRYGRJMMJRP-UHFFFAOYSA-N 1 1 384.436 3.615 20 5 GHBDMO O=C(c1ccccc1)N1CC[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000283213746 911419232 /nfs/dbraw/zinc/41/92/32/911419232.db2.gz SESYGBLCHDZGCO-SFHVURJKSA-N 1 1 379.460 3.722 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c([N+](=O)[O-])c1 ZINC000284221819 911796034 /nfs/dbraw/zinc/79/60/34/911796034.db2.gz UMINFXICUFXDSQ-IBGZPJMESA-N 1 1 385.376 3.515 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CCC(C[N@@H+](C)C(C)C)CC2)cc1Cl ZINC000774520082 911888974 /nfs/dbraw/zinc/88/89/74/911888974.db2.gz ZICLJXPXEXQXSF-UHFFFAOYSA-N 1 1 383.876 3.591 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000093013377 912009434 /nfs/dbraw/zinc/00/94/34/912009434.db2.gz KUESNAWQFCVHLW-UHFFFAOYSA-N 1 1 390.823 3.989 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000093013377 912009447 /nfs/dbraw/zinc/00/94/47/912009447.db2.gz KUESNAWQFCVHLW-UHFFFAOYSA-N 1 1 390.823 3.989 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)CCC1OCCO1 ZINC001182732178 912013875 /nfs/dbraw/zinc/01/38/75/912013875.db2.gz YCVBPYPBJJDGTF-UHFFFAOYSA-N 1 1 379.460 3.854 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000248438182 912097341 /nfs/dbraw/zinc/09/73/41/912097341.db2.gz BTRRZLVHFLROCP-RHSMWYFYSA-N 1 1 387.411 3.523 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000248438182 912097359 /nfs/dbraw/zinc/09/73/59/912097359.db2.gz BTRRZLVHFLROCP-RHSMWYFYSA-N 1 1 387.411 3.523 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000802009710 921747650 /nfs/dbraw/zinc/74/76/50/921747650.db2.gz SASJMNNDVBKBND-FQEVSTJZSA-N 1 1 375.469 3.818 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000802009156 921752407 /nfs/dbraw/zinc/75/24/07/921752407.db2.gz MOEPZGMHDPWJPZ-HXUWFJFHSA-N 1 1 393.459 3.957 20 5 GHBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001187371993 915200766 /nfs/dbraw/zinc/20/07/66/915200766.db2.gz YTTGADGWELTELG-UHFFFAOYSA-N 1 1 398.850 3.824 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1c(C)cccc1O ZINC001188654875 916080323 /nfs/dbraw/zinc/08/03/23/916080323.db2.gz INKPWYMRTYFNPO-UHFFFAOYSA-N 1 1 387.439 3.957 20 5 GHBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1 ZINC000360810717 916328620 /nfs/dbraw/zinc/32/86/20/916328620.db2.gz PCGABZCMLJLBRV-YJBOKZPZSA-N 1 1 385.489 3.814 20 5 GHBDMO Cc1ccc(C2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cn1 ZINC000363674222 918648759 /nfs/dbraw/zinc/64/87/59/918648759.db2.gz MJSUXMLXFSVDBV-UHFFFAOYSA-N 1 1 379.420 3.728 20 5 GHBDMO Cc1ccnc(C2CC[NH+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000363793420 918869697 /nfs/dbraw/zinc/86/96/97/918869697.db2.gz IHZNJEYVWOLBKB-CQSZACIVSA-N 1 1 394.435 3.684 20 5 GHBDMO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000363797456 918873958 /nfs/dbraw/zinc/87/39/58/918873958.db2.gz OVUHHZRJGRXYGY-BZNIZROVSA-N 1 1 388.811 3.682 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007681331 919768741 /nfs/dbraw/zinc/76/87/41/919768741.db2.gz SHPLIYHTIKZUIJ-CQSZACIVSA-N 1 1 384.436 3.575 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007681331 919768761 /nfs/dbraw/zinc/76/87/61/919768761.db2.gz SHPLIYHTIKZUIJ-CQSZACIVSA-N 1 1 384.436 3.575 20 5 GHBDMO CCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000800466839 920138105 /nfs/dbraw/zinc/13/81/05/920138105.db2.gz IDQNHOQGUIZOOD-OXJNMPFZSA-N 1 1 385.464 3.758 20 5 GHBDMO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000298078467 920181586 /nfs/dbraw/zinc/18/15/86/920181586.db2.gz LQQYOALPDVJSTQ-UHFFFAOYSA-N 1 1 382.449 3.656 20 5 GHBDMO COc1cc(OC)cc(OCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000801520262 921092188 /nfs/dbraw/zinc/09/21/88/921092188.db2.gz CTJVANQSCOVHMS-UHFFFAOYSA-N 1 1 378.400 3.652 20 5 GHBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](CO)C(C)C)cc1 ZINC000801537266 921108385 /nfs/dbraw/zinc/10/83/85/921108385.db2.gz TXEAJUHQYDIXBH-HXUWFJFHSA-N 1 1 376.428 3.762 20 5 GHBDMO Cn1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(Br)n1 ZINC000903187513 922841613 /nfs/dbraw/zinc/84/16/13/922841613.db2.gz CZWZYKPOFAMICK-CQSZACIVSA-N 1 1 379.258 3.603 20 5 GHBDMO COc1cc([C@H](C)[NH2+][C@@H](Cc2ccccc2)c2nccn2C)cc([N+](=O)[O-])c1 ZINC000903192911 922843224 /nfs/dbraw/zinc/84/32/24/922843224.db2.gz BBAGIBMWSYNBDW-YWZLYKJASA-N 1 1 380.448 3.972 20 5 GHBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000803535947 923074369 /nfs/dbraw/zinc/07/43/69/923074369.db2.gz FPWWFNPOKYOPSH-NRFANRHFSA-N 1 1 399.878 3.986 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000827148413 924899285 /nfs/dbraw/zinc/89/92/85/924899285.db2.gz JIHGNMDOWVXHKK-DYVFJYSZSA-N 1 1 377.872 3.646 20 5 GHBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000372302897 925321696 /nfs/dbraw/zinc/32/16/96/925321696.db2.gz VBXCSFDSKWJKLM-UHFFFAOYSA-N 1 1 397.479 3.567 20 5 GHBDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373240740 925960489 /nfs/dbraw/zinc/96/04/89/925960489.db2.gz DOYRTNZSZMRGDM-OAHLLOKOSA-N 1 1 385.468 3.579 20 5 GHBDMO CC[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827798479 926008127 /nfs/dbraw/zinc/00/81/27/926008127.db2.gz OTQGRSSSWGWOPZ-RDJZCZTQSA-N 1 1 385.867 3.566 20 5 GHBDMO CC[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827798479 926008138 /nfs/dbraw/zinc/00/81/38/926008138.db2.gz OTQGRSSSWGWOPZ-RDJZCZTQSA-N 1 1 385.867 3.566 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3sccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411150208 926128126 /nfs/dbraw/zinc/12/81/26/926128126.db2.gz ZANIOQPAYARZDR-LBPRGKRZSA-N 1 1 375.450 3.613 20 5 GHBDMO CC(C)CC[N@@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCC1 ZINC000726588623 926746021 /nfs/dbraw/zinc/74/60/21/926746021.db2.gz AYASGILRJLANOF-UHFFFAOYSA-N 1 1 388.468 3.612 20 5 GHBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000726602656 926757095 /nfs/dbraw/zinc/75/70/95/926757095.db2.gz YIEBBZRUFQWXHB-CVEARBPZSA-N 1 1 393.484 3.741 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749480581 927129068 /nfs/dbraw/zinc/12/90/68/927129068.db2.gz MLFLIRHJOPRHDM-KRWDZBQOSA-N 1 1 391.468 3.577 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749480581 927129078 /nfs/dbraw/zinc/12/90/78/927129078.db2.gz MLFLIRHJOPRHDM-KRWDZBQOSA-N 1 1 391.468 3.577 20 5 GHBDMO Cc1nn(C[NH+]2CCC(OC3CCC(C)CC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749952883 927369130 /nfs/dbraw/zinc/36/91/30/927369130.db2.gz JBTBVYHVLBPOHH-UHFFFAOYSA-N 1 1 387.484 3.665 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749958503 927370286 /nfs/dbraw/zinc/37/02/86/927370286.db2.gz DQKHJVWBCBLEBT-HNNXBMFYSA-N 1 1 383.477 3.720 20 5 GHBDMO O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000751661309 928309222 /nfs/dbraw/zinc/30/92/22/928309222.db2.gz IVTNWSLGMQVAIP-MRXNPFEDSA-N 1 1 395.415 3.691 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)C1 ZINC000467212132 928832149 /nfs/dbraw/zinc/83/21/49/928832149.db2.gz TXLXHNSNDMSKKW-CQSZACIVSA-N 1 1 387.411 3.707 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000544393498 929126535 /nfs/dbraw/zinc/12/65/35/929126535.db2.gz SOMDHMSEZGHIRY-RDJZCZTQSA-N 1 1 377.448 3.861 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000467556643 929199653 /nfs/dbraw/zinc/19/96/53/929199653.db2.gz XRFJFDGVDVOBSF-APWZRJJASA-N 1 1 398.459 3.915 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000753294171 929290387 /nfs/dbraw/zinc/29/03/87/929290387.db2.gz SPKAUFJKUUWNQY-WBVHZDCISA-N 1 1 385.439 3.764 20 5 GHBDMO CCc1ccc([C@H]([NH2+][C@H]2CCCN(C(=O)OC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753660161 929466932 /nfs/dbraw/zinc/46/69/32/929466932.db2.gz XYCDAGXLAXHFCW-HNAYVOBHSA-N 1 1 387.436 3.660 20 5 GHBDMO CC[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000544767834 929559842 /nfs/dbraw/zinc/55/98/42/929559842.db2.gz MKYZDVDNDLHDQZ-HXUWFJFHSA-N 1 1 381.476 3.650 20 5 GHBDMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000545874575 929631056 /nfs/dbraw/zinc/63/10/56/929631056.db2.gz KSWRNYDPOLHNME-UHFFFAOYSA-N 1 1 399.466 3.746 20 5 GHBDMO CC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757108183 929648135 /nfs/dbraw/zinc/64/81/35/929648135.db2.gz DSEGFMLHNKFQGN-CVEARBPZSA-N 1 1 393.484 3.599 20 5 GHBDMO CC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC000758940283 930222854 /nfs/dbraw/zinc/22/28/54/930222854.db2.gz MXTIXMRPAIFOQJ-GOSISDBHSA-N 1 1 394.475 3.580 20 5 GHBDMO COc1ccc(C[C@@H](C)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000469971140 930284846 /nfs/dbraw/zinc/28/48/46/930284846.db2.gz CINXCCFIJZGZCP-ZBFHGGJFSA-N 1 1 388.443 3.503 20 5 GHBDMO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470113948 930384588 /nfs/dbraw/zinc/38/45/88/930384588.db2.gz JEFRUTBAHSTAHX-SFHVURJKSA-N 1 1 386.427 3.862 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000470126549 930391274 /nfs/dbraw/zinc/39/12/74/930391274.db2.gz RGPPFFIDVHZVOQ-IRXDYDNUSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000470126549 930391284 /nfs/dbraw/zinc/39/12/84/930391284.db2.gz RGPPFFIDVHZVOQ-IRXDYDNUSA-N 1 1 392.818 3.954 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](N(C)Cc2noc(C)n2)CC1 ZINC000470216341 930459369 /nfs/dbraw/zinc/45/93/69/930459369.db2.gz RKTGFVUUVPUAPC-BAILOTOSSA-N 1 1 399.495 3.676 20 5 GHBDMO CO[C@@H](C)C[N@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000796641713 930491542 /nfs/dbraw/zinc/49/15/42/930491542.db2.gz YVSDPZFEPIRWPH-SCLBCKFNSA-N 1 1 391.855 3.895 20 5 GHBDMO CO[C@@H](C)C[N@@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000796641713 930491546 /nfs/dbraw/zinc/49/15/46/930491546.db2.gz YVSDPZFEPIRWPH-SCLBCKFNSA-N 1 1 391.855 3.895 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470995671 931085085 /nfs/dbraw/zinc/08/50/85/931085085.db2.gz UITKSKPMMIANOV-SFHVURJKSA-N 1 1 397.475 3.730 20 5 GHBDMO COc1ccc2c(c1)CC[N@H+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)CC2 ZINC000783979983 931739866 /nfs/dbraw/zinc/73/98/66/931739866.db2.gz HKENOIWINMMSDH-UHFFFAOYSA-N 1 1 378.432 3.525 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000784008810 931754568 /nfs/dbraw/zinc/75/45/68/931754568.db2.gz INQJYLRHNAIPRC-DYVFJYSZSA-N 1 1 383.404 3.552 20 5 GHBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000784008810 931754573 /nfs/dbraw/zinc/75/45/73/931754573.db2.gz INQJYLRHNAIPRC-DYVFJYSZSA-N 1 1 383.404 3.552 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@H](Oc4cccc(F)c4)C3)c2)c1 ZINC000784030972 931761675 /nfs/dbraw/zinc/76/16/75/931761675.db2.gz ZODOLLQGIYJJNY-FQEVSTJZSA-N 1 1 382.395 3.708 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@H](Oc4cccc(F)c4)C3)c2)c1 ZINC000784030972 931761678 /nfs/dbraw/zinc/76/16/78/931761678.db2.gz ZODOLLQGIYJJNY-FQEVSTJZSA-N 1 1 382.395 3.708 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000784517025 931921793 /nfs/dbraw/zinc/92/17/93/931921793.db2.gz PIQNBPBSEJSPSZ-RRFJBIMHSA-N 1 1 381.498 3.782 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)cc1 ZINC000558606574 932104670 /nfs/dbraw/zinc/10/46/70/932104670.db2.gz QKFUMFVIEMTMMQ-GOSISDBHSA-N 1 1 397.475 3.805 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000558731874 932199031 /nfs/dbraw/zinc/19/90/31/932199031.db2.gz CDERCBVIMHPCFS-UHFFFAOYSA-N 1 1 385.420 3.704 20 5 GHBDMO O=C1[C@H]([N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000558739536 932203495 /nfs/dbraw/zinc/20/34/95/932203495.db2.gz OFGWTWKAFUKLGN-CVEARBPZSA-N 1 1 397.397 3.755 20 5 GHBDMO O=C1[C@H]([N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000558739536 932203499 /nfs/dbraw/zinc/20/34/99/932203499.db2.gz OFGWTWKAFUKLGN-CVEARBPZSA-N 1 1 397.397 3.755 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000797344677 932257734 /nfs/dbraw/zinc/25/77/34/932257734.db2.gz ZZJCKEAPMSLCQI-HXUWFJFHSA-N 1 1 382.460 3.981 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000558863972 932281961 /nfs/dbraw/zinc/28/19/61/932281961.db2.gz JPZHZHQOKNRFCX-FQEVSTJZSA-N 1 1 389.402 3.942 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000558863972 932281968 /nfs/dbraw/zinc/28/19/68/932281968.db2.gz JPZHZHQOKNRFCX-FQEVSTJZSA-N 1 1 389.402 3.942 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1 ZINC000926903827 932342216 /nfs/dbraw/zinc/34/22/16/932342216.db2.gz AFCKMPYRIFEYRS-OWCLPIDISA-N 1 1 398.385 3.507 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]C[C@]1(c2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000927119917 932420472 /nfs/dbraw/zinc/42/04/72/932420472.db2.gz MQBUOPZRJKABJY-UNMCSNQZSA-N 1 1 392.459 3.713 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000798073421 932518287 /nfs/dbraw/zinc/51/82/87/932518287.db2.gz DKCDNXDXLYAVBZ-QGZVFWFLSA-N 1 1 381.423 3.600 20 5 GHBDMO CC(C)(C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000798526345 932691754 /nfs/dbraw/zinc/69/17/54/932691754.db2.gz PMBJDOOPJBRLJV-QHCPKHFHSA-N 1 1 395.503 3.901 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(C(C)=O)c3)CC2)cc1 ZINC000559585238 932745428 /nfs/dbraw/zinc/74/54/28/932745428.db2.gz AXKUUVCKCAEUJB-UHFFFAOYSA-N 1 1 383.448 3.518 20 5 GHBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000799156997 932891828 /nfs/dbraw/zinc/89/18/28/932891828.db2.gz NDMMDEQPCWOGDS-QAJUQPOASA-N 1 1 384.480 3.677 20 5 GHBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000560095861 933061918 /nfs/dbraw/zinc/06/19/18/933061918.db2.gz ARTCMFVIUDWACN-UHFFFAOYSA-N 1 1 381.476 3.605 20 5 GHBDMO Cc1nn(C[NH+]2CCC(N3CCc4ccccc43)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000799943229 933182295 /nfs/dbraw/zinc/18/22/95/933182295.db2.gz ROAYUSZAMJCLMV-UHFFFAOYSA-N 1 1 391.475 3.738 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000560531360 933315594 /nfs/dbraw/zinc/31/55/94/933315594.db2.gz XPOAJYPLGIUOKL-FQEVSTJZSA-N 1 1 393.422 3.870 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560541669 933329114 /nfs/dbraw/zinc/32/91/14/933329114.db2.gz RZFZJTMSGWZEQX-LJQANCHMSA-N 1 1 383.492 3.947 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)cc1 ZINC001116377994 933520891 /nfs/dbraw/zinc/52/08/91/933520891.db2.gz VJNMDKUEDPJKDS-IAGOWNOFSA-N 1 1 392.818 3.954 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)cc1 ZINC001116377994 933520900 /nfs/dbraw/zinc/52/09/00/933520900.db2.gz VJNMDKUEDPJKDS-IAGOWNOFSA-N 1 1 392.818 3.954 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000777807338 933561002 /nfs/dbraw/zinc/56/10/02/933561002.db2.gz JRPPJYKKOXGJOA-IEBWSBKVSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000777807338 933561010 /nfs/dbraw/zinc/56/10/10/933561010.db2.gz JRPPJYKKOXGJOA-IEBWSBKVSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000777807338 933561026 /nfs/dbraw/zinc/56/10/26/933561026.db2.gz JRPPJYKKOXGJOA-IEBWSBKVSA-N 1 1 399.495 3.674 20 5 GHBDMO CN(c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000561383970 934102014 /nfs/dbraw/zinc/10/20/14/934102014.db2.gz MMBHMRIGMBOETE-DFNIBXOVSA-N 1 1 379.460 3.887 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000561804779 934467054 /nfs/dbraw/zinc/46/70/54/934467054.db2.gz LLSWHJXHFHMNKP-AEFFLSMTSA-N 1 1 382.464 3.996 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)c1ccc(F)cc1)[C@H]1CC[C@H](O)CC1 ZINC000828807030 935716129 /nfs/dbraw/zinc/71/61/29/935716129.db2.gz IHPSZRMIIOIHSX-ZJOUEHCJSA-N 1 1 388.439 3.573 20 5 GHBDMO CCC[C@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001137817956 935806098 /nfs/dbraw/zinc/80/60/98/935806098.db2.gz PEKUCXYBFRHVRT-IBGZPJMESA-N 1 1 396.491 3.763 20 5 GHBDMO CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544877899 1015142979 /nfs/dbraw/zinc/14/29/79/1015142979.db2.gz WGTVJBKNKZRXEH-QGZVFWFLSA-N 1 1 387.867 3.985 20 5 GHBDMO COc1cc(OC)cc(N2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000468113510 1015281932 /nfs/dbraw/zinc/28/19/32/1015281932.db2.gz NZHJDRMDSKWUGW-MRXNPFEDSA-N 1 1 385.464 3.885 20 5 GHBDMO Cc1cc(Cc2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)ccc1[N+](=O)[O-] ZINC000545077120 1015488928 /nfs/dbraw/zinc/48/89/28/1015488928.db2.gz PVBMHIVPGLOPRB-GOSISDBHSA-N 1 1 393.447 3.652 20 5 GHBDMO O=[N+]([O-])c1cc(O[C@H]2COCC[N@@H+](Cc3ccccc3)C2)ccc1C(F)(F)F ZINC001226970204 1032218364 /nfs/dbraw/zinc/21/83/64/1032218364.db2.gz VWBZEOXUJMXYCF-MRXNPFEDSA-N 1 1 396.365 3.893 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001227123325 1032279729 /nfs/dbraw/zinc/27/97/29/1032279729.db2.gz ARLGSWMALJENDV-ILZDJORESA-N 1 1 396.443 3.671 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c([N+](=O)[O-])c1 ZINC001227468412 1032432120 /nfs/dbraw/zinc/43/21/20/1032432120.db2.gz YMBOSQLECVSCME-SZVBFZGTSA-N 1 1 383.404 3.792 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(F)c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC001228017193 1032738335 /nfs/dbraw/zinc/73/83/35/1032738335.db2.gz UJAATGIQFVBTHV-MRXNPFEDSA-N 1 1 378.375 3.543 20 5 GHBDMO C[C@H](Oc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228139065 1032805209 /nfs/dbraw/zinc/80/52/09/1032805209.db2.gz PGQKSRPICAKDIY-HRAATJIYSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@H](Oc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228139065 1032805226 /nfs/dbraw/zinc/80/52/26/1032805226.db2.gz PGQKSRPICAKDIY-HRAATJIYSA-N 1 1 393.443 3.811 20 5 GHBDMO CCC[N@@H+]1C[C@H]2CN(C(=O)c3cc(=S)cc4[nH]c5ccccc5nc3-4)C[C@H]2C1 ZINC001155996164 1032828926 /nfs/dbraw/zinc/82/89/26/1032828926.db2.gz LBWMCJAIHSQMJG-GASCZTMLSA-N 1 1 392.528 3.811 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577990482 1020299494 /nfs/dbraw/zinc/29/94/94/1020299494.db2.gz QBAZQZOXVVFHNP-LJQANCHMSA-N 1 1 382.464 3.895 20 5 GHBDMO CC(=O)c1cc(C)cc([N+](=O)[O-])c1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001228449836 1032941198 /nfs/dbraw/zinc/94/11/98/1032941198.db2.gz FIYWUWJNBACOEQ-LJQANCHMSA-N 1 1 398.459 3.776 20 5 GHBDMO CC(=O)c1cc(C)cc([N+](=O)[O-])c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001228449836 1032941201 /nfs/dbraw/zinc/94/12/01/1032941201.db2.gz FIYWUWJNBACOEQ-LJQANCHMSA-N 1 1 398.459 3.776 20 5 GHBDMO CSc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193801490 1020951564 /nfs/dbraw/zinc/95/15/64/1020951564.db2.gz FBLYKDGHRVYJRT-INIZCTEOSA-N 1 1 385.489 3.569 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000801539309 1021410085 /nfs/dbraw/zinc/41/00/85/1021410085.db2.gz FOAUYKUFUWIZGR-HLLBOEOZSA-N 1 1 393.459 3.859 20 5 GHBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000802658301 1021516429 /nfs/dbraw/zinc/51/64/29/1021516429.db2.gz SMSYXDRAXXPXAV-HXUWFJFHSA-N 1 1 377.485 3.716 20 5 GHBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c1 ZINC000836458206 1022990049 /nfs/dbraw/zinc/99/00/49/1022990049.db2.gz VUXWKLWBCRRSIU-UHFFFAOYSA-N 1 1 375.856 3.938 20 5 GHBDMO N[C@@H]1C[C@@H](O)C[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958478 1033184443 /nfs/dbraw/zinc/18/44/43/1033184443.db2.gz WPBHQQSSRPJEPP-HUUCEWRRSA-N 1 1 384.483 3.850 20 5 GHBDMO N[C@@H]1C[C@@H](O)C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958478 1033184445 /nfs/dbraw/zinc/18/44/45/1033184445.db2.gz WPBHQQSSRPJEPP-HUUCEWRRSA-N 1 1 384.483 3.850 20 5 GHBDMO NC(=O)[C@H]1C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)CCO1 ZINC001138811227 1025404247 /nfs/dbraw/zinc/40/42/47/1025404247.db2.gz VLQULKCKLOFWME-OAQYLSRUSA-N 1 1 398.466 3.642 20 5 GHBDMO Cc1c(Br)c(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001162243641 1025688814 /nfs/dbraw/zinc/68/88/14/1025688814.db2.gz COIMPDPZSNKAGZ-TUAOUCFPSA-N 1 1 385.306 3.839 20 5 GHBDMO CC[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001162723861 1025892284 /nfs/dbraw/zinc/89/22/84/1025892284.db2.gz BDFUODBMHSUHAZ-MOPGFXCFSA-N 1 1 391.418 3.965 20 5 GHBDMO CC[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001162723861 1025892303 /nfs/dbraw/zinc/89/23/03/1025892303.db2.gz BDFUODBMHSUHAZ-MOPGFXCFSA-N 1 1 391.418 3.965 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1Br ZINC000839545200 1026040153 /nfs/dbraw/zinc/04/01/53/1026040153.db2.gz HPRGUUYXQCIIKF-KRWDZBQOSA-N 1 1 395.228 3.590 20 5 GHBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1Br ZINC000839545200 1026040172 /nfs/dbraw/zinc/04/01/72/1026040172.db2.gz HPRGUUYXQCIIKF-KRWDZBQOSA-N 1 1 395.228 3.590 20 5 GHBDMO CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)C1 ZINC001163119877 1026053531 /nfs/dbraw/zinc/05/35/31/1026053531.db2.gz XCCOAAIUBZVEBX-QGZVFWFLSA-N 1 1 398.894 3.542 20 5 GHBDMO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001163831126 1026331622 /nfs/dbraw/zinc/33/16/22/1026331622.db2.gz KCCGMBCSJGEMOU-QRBZPYHOSA-N 1 1 395.459 3.776 20 5 GHBDMO O=[N+]([O-])c1c[nH]c2nc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)ccc12 ZINC001164485974 1026526064 /nfs/dbraw/zinc/52/60/64/1026526064.db2.gz KOHOHUFKFSPZQP-BPQIPLTHSA-N 1 1 377.448 3.794 20 5 GHBDMO CC(C)(C)c1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC001165098642 1026605347 /nfs/dbraw/zinc/60/53/47/1026605347.db2.gz PKQZXBQDJMHWHV-UHFFFAOYSA-N 1 1 399.451 3.518 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)c2c(Cl)c1 ZINC000840116593 1027225939 /nfs/dbraw/zinc/22/59/39/1027225939.db2.gz PYCLLDGCAPVSJV-OIISXLGYSA-N 1 1 378.860 3.571 20 5 GHBDMO COc1ccc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232301 1069454679 /nfs/dbraw/zinc/45/46/79/1069454679.db2.gz OGMCGTIYQIBDJD-HNAYVOBHSA-N 1 1 375.494 3.838 20 5 GHBDMO COc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232301 1069454682 /nfs/dbraw/zinc/45/46/82/1069454682.db2.gz OGMCGTIYQIBDJD-HNAYVOBHSA-N 1 1 375.494 3.838 20 5 GHBDMO CCN1CC[NH+](Cc2ccc(Nc3c(F)ccc([N+](=O)[O-])c3F)cc2)CC1 ZINC001215295187 1029136285 /nfs/dbraw/zinc/13/62/85/1029136285.db2.gz TVONIUGNJYMTDG-UHFFFAOYSA-N 1 1 376.407 3.754 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001216794677 1029939491 /nfs/dbraw/zinc/93/94/91/1029939491.db2.gz DVEDASIVPBQKAR-CQSZACIVSA-N 1 1 378.473 3.626 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4CC[NH2+]CC[C@@H]4F)ccc3c21 ZINC001218014161 1030723574 /nfs/dbraw/zinc/72/35/74/1030723574.db2.gz FTVBKMHJARSUAI-JKSUJKDBSA-N 1 1 383.375 3.867 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001150960691 1030723801 /nfs/dbraw/zinc/72/38/01/1030723801.db2.gz IGJHHBDVGJZWPQ-LSDHHAIUSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001150960691 1030723813 /nfs/dbraw/zinc/72/38/13/1030723813.db2.gz IGJHHBDVGJZWPQ-LSDHHAIUSA-N 1 1 387.867 3.983 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4C[C@H]5CC[NH2+][C@H]5C4)ccc3c21 ZINC001218248782 1030851846 /nfs/dbraw/zinc/85/18/46/1030851846.db2.gz VCEHYGRHKYWZTA-ZLENFMNRSA-N 1 1 377.396 3.917 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224102132 1030883391 /nfs/dbraw/zinc/88/33/91/1030883391.db2.gz WPFCUKPEUOLQMW-YOEHRIQHSA-N 1 1 386.408 3.640 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224986034 1031201795 /nfs/dbraw/zinc/20/17/95/1031201795.db2.gz CTVGVQBGRJVMIR-DYESRHJHSA-N 1 1 398.459 3.565 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001225449635 1031420232 /nfs/dbraw/zinc/42/02/32/1031420232.db2.gz XFWZXIDXTYNCOC-YWZLYKJASA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001225451826 1031421692 /nfs/dbraw/zinc/42/16/92/1031421692.db2.gz VTMOSFRHPFBFPD-HNNXBMFYSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001225451826 1031421705 /nfs/dbraw/zinc/42/17/05/1031421705.db2.gz VTMOSFRHPFBFPD-HNNXBMFYSA-N 1 1 390.823 3.688 20 5 GHBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC001153802895 1031748828 /nfs/dbraw/zinc/74/88/28/1031748828.db2.gz JCESSFZSLVSIDX-GOSISDBHSA-N 1 1 396.491 3.810 20 5 GHBDMO C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001220253905 1031861803 /nfs/dbraw/zinc/86/18/03/1031861803.db2.gz GQZLWFHDPAGYIJ-QFIPXVFZSA-N 1 1 377.532 3.567 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)c2c1 ZINC001226441722 1031961550 /nfs/dbraw/zinc/96/15/50/1031961550.db2.gz UFCMMBMHMZDWET-OZOXKJRCSA-N 1 1 390.443 3.827 20 5 GHBDMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001157066850 1033398661 /nfs/dbraw/zinc/39/86/61/1033398661.db2.gz OWEWJKQYMKNHLB-UHFFFAOYSA-N 1 1 378.835 3.883 20 5 GHBDMO CN(CC[N@@H+](C)Cc1ccccc1)C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001157553605 1033656399 /nfs/dbraw/zinc/65/63/99/1033656399.db2.gz CXJJNNCAKMRUNY-UHFFFAOYSA-N 1 1 384.814 3.756 20 5 GHBDMO CCOC[C@H](C)Oc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001229808905 1033731852 /nfs/dbraw/zinc/73/18/52/1033731852.db2.gz VNMKPIQQQPAWRR-HNNXBMFYSA-N 1 1 381.476 3.692 20 5 GHBDMO Cc1c(Br)cnc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001230034972 1033859498 /nfs/dbraw/zinc/85/94/98/1033859498.db2.gz NRLZYSPGJJSPHW-CQSZACIVSA-N 1 1 392.253 3.714 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001230246148 1033960055 /nfs/dbraw/zinc/96/00/55/1033960055.db2.gz JQIYGHYMQVCMJH-MGPUTAFESA-N 1 1 383.448 3.843 20 5 GHBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001230251249 1033962278 /nfs/dbraw/zinc/96/22/78/1033962278.db2.gz OHEZVXVOPPBPNJ-KRWDZBQOSA-N 1 1 387.411 3.736 20 5 GHBDMO COc1cc(O[C@H]2CCC[N@@H+](C)CC2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001230526329 1034103149 /nfs/dbraw/zinc/10/31/49/1034103149.db2.gz VYLAVOVFRNIEDN-ZDUSSCGKSA-N 1 1 399.443 3.532 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc4nc(Cl)ccc4s3)CC2)cn1 ZINC001461929526 1069894378 /nfs/dbraw/zinc/89/43/78/1069894378.db2.gz WHUVUIFRBSDMLK-UHFFFAOYSA-N 1 1 389.868 3.575 20 5 GHBDMO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)c1 ZINC001232229033 1035172986 /nfs/dbraw/zinc/17/29/86/1035172986.db2.gz XYNDCSRRRFRKKZ-HXUWFJFHSA-N 1 1 386.455 3.840 20 5 GHBDMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001161880406 1035320485 /nfs/dbraw/zinc/32/04/85/1035320485.db2.gz AGPBSEJSBQXISV-QGZVFWFLSA-N 1 1 394.456 3.505 20 5 GHBDMO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc(C)n1 ZINC001461970391 1069921896 /nfs/dbraw/zinc/92/18/96/1069921896.db2.gz RYWPJNSTVKCIDM-UHFFFAOYSA-N 1 1 394.397 3.948 20 5 GHBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001462118557 1070008509 /nfs/dbraw/zinc/00/85/09/1070008509.db2.gz PTILYUZEQCGBHP-LJQANCHMSA-N 1 1 397.475 3.535 20 5 GHBDMO COc1ccc2c(c1)C1(CC[NH2+]CC1)N([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001246632195 1037518349 /nfs/dbraw/zinc/51/83/49/1037518349.db2.gz UVZRGJAUHNMDBV-QGZVFWFLSA-N 1 1 395.503 3.671 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)CC2)cc1 ZINC001246933937 1037737996 /nfs/dbraw/zinc/73/79/96/1037737996.db2.gz LKHQHYJPWNZMKU-GOSISDBHSA-N 1 1 386.540 3.808 20 5 GHBDMO O=[N+]([O-])c1ccc2ncccc2c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001233786673 1039618227 /nfs/dbraw/zinc/61/82/27/1039618227.db2.gz QRQVEBREYXXXIF-GOSISDBHSA-N 1 1 393.443 3.813 20 5 GHBDMO CN1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1c1ccccc1 ZINC001254479452 1040266967 /nfs/dbraw/zinc/26/69/67/1040266967.db2.gz ZVBCUADREFMIBN-QFIPXVFZSA-N 1 1 380.492 3.552 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001254556936 1040326231 /nfs/dbraw/zinc/32/62/31/1040326231.db2.gz NPJCTSGTCJAKFJ-MGPUTAFESA-N 1 1 385.489 3.716 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(Br)ccc(N)c2C1 ZINC001254565287 1040340312 /nfs/dbraw/zinc/34/03/12/1040340312.db2.gz OAXCTPUDHOTYIW-GFCCVEGCSA-N 1 1 390.281 3.929 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(Br)ccc(N)c2C1 ZINC001254565287 1040340318 /nfs/dbraw/zinc/34/03/18/1040340318.db2.gz OAXCTPUDHOTYIW-GFCCVEGCSA-N 1 1 390.281 3.929 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001254571286 1040348653 /nfs/dbraw/zinc/34/86/53/1040348653.db2.gz RQKWZQMKKIIZHQ-VQIMIIECSA-N 1 1 379.460 3.646 20 5 GHBDMO [NH3+]C1(Cc2ccc(Cl)cc2)CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254586454 1040359413 /nfs/dbraw/zinc/35/94/13/1040359413.db2.gz JOYOJSZWSMQLDY-FQEVSTJZSA-N 1 1 385.895 3.751 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3CCC[C@@]3(COc3cccnc3)C1)C2 ZINC001254594823 1040367811 /nfs/dbraw/zinc/36/78/11/1040367811.db2.gz FZERVWKMPYFROI-UZKOGDIHSA-N 1 1 379.460 3.638 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594573 1040367944 /nfs/dbraw/zinc/36/79/44/1040367944.db2.gz RRQMRPAYBATTGS-NQIIRXRSSA-N 1 1 387.480 3.537 20 5 GHBDMO Cc1cc(N2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c2ccccc2[nH+]1 ZINC001254595434 1040369552 /nfs/dbraw/zinc/36/95/52/1040369552.db2.gz XFXZKUCDBYUERE-FQEVSTJZSA-N 1 1 388.471 3.741 20 5 GHBDMO O=[N+]([O-])c1ccc(Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c(F)c1 ZINC001255365189 1040964096 /nfs/dbraw/zinc/96/40/96/1040964096.db2.gz LNVAIEZGAQBEBE-MRXNPFEDSA-N 1 1 382.395 3.697 20 5 GHBDMO O=[N+]([O-])c1ccc(F)c(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255422828 1041018116 /nfs/dbraw/zinc/01/81/16/1041018116.db2.gz YGWUCTMJSIKMTB-HNNXBMFYSA-N 1 1 382.395 3.697 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255438675 1041038125 /nfs/dbraw/zinc/03/81/25/1041038125.db2.gz TWRPPEZRYMSYEV-MRXNPFEDSA-N 1 1 394.431 3.567 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC001255437849 1041038497 /nfs/dbraw/zinc/03/84/97/1041038497.db2.gz ONDXSUDKFJGAQC-QGZVFWFLSA-N 1 1 394.431 3.589 20 5 GHBDMO COc1cc(N2CCC([N@H+]3CCC[C@@H](C(F)(F)F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099376 1041527326 /nfs/dbraw/zinc/52/73/26/1041527326.db2.gz PBISRYQVAXZDFC-CYBMUJFWSA-N 1 1 387.402 3.847 20 5 GHBDMO O=c1[nH]cc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c2ccccc12 ZINC001462592397 1070397006 /nfs/dbraw/zinc/39/70/06/1070397006.db2.gz DRRFEJDDSPXPCN-UHFFFAOYSA-N 1 1 394.250 3.962 20 5 GHBDMO C[C@@H]1C[N@H+](CCc2nnc(-c3cc4ccc([N+](=O)[O-])cc4s3)o2)C[C@H](C)O1 ZINC001258034285 1044361818 /nfs/dbraw/zinc/36/18/18/1044361818.db2.gz HBKAFDARDIQXBI-TXEJJXNPSA-N 1 1 388.449 3.511 20 5 GHBDMO CC(C)(NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001294472721 1044651460 /nfs/dbraw/zinc/65/14/60/1044651460.db2.gz FCWIIXZQALTMGB-IBGZPJMESA-N 1 1 395.503 3.901 20 5 GHBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001301033202 1046297847 /nfs/dbraw/zinc/29/78/47/1046297847.db2.gz IRXMLFKJWQBXMQ-HIFRSBDPSA-N 1 1 395.887 3.539 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001302280466 1046899425 /nfs/dbraw/zinc/89/94/25/1046899425.db2.gz DQHSWDNCVBXLRN-WBVHZDCISA-N 1 1 392.459 3.574 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001287694380 1048891869 /nfs/dbraw/zinc/89/18/69/1048891869.db2.gz RVZUTLBXHFMNOA-YJBOKZPZSA-N 1 1 393.443 3.839 20 5 GHBDMO CCc1nc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc(C)[nH+]1 ZINC001306922257 1048960641 /nfs/dbraw/zinc/96/06/41/1048960641.db2.gz LSXRUGYHNFUTIS-UHFFFAOYSA-N 1 1 395.385 3.601 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])C1 ZINC001307803337 1049601262 /nfs/dbraw/zinc/60/12/62/1049601262.db2.gz ITXDEWXBTCHLFJ-RDJZCZTQSA-N 1 1 390.484 3.601 20 5 GHBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC001307944987 1049715386 /nfs/dbraw/zinc/71/53/86/1049715386.db2.gz UKGLSAQVGAZXGW-MRXNPFEDSA-N 1 1 395.459 3.782 20 5 GHBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC001290052376 1049720116 /nfs/dbraw/zinc/72/01/16/1049720116.db2.gz PEJZEXKFJSJUHI-UHFFFAOYSA-N 1 1 381.476 3.985 20 5 GHBDMO CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)nc1C ZINC001308042660 1049793064 /nfs/dbraw/zinc/79/30/64/1049793064.db2.gz KAUSCNNCHULQQE-ZDUSSCGKSA-N 1 1 393.440 3.665 20 5 GHBDMO CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)nc1C ZINC001308042660 1049793072 /nfs/dbraw/zinc/79/30/72/1049793072.db2.gz KAUSCNNCHULQQE-ZDUSSCGKSA-N 1 1 393.440 3.665 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+](Cc2ccoc2)C2CC2)c1 ZINC001308106543 1049851920 /nfs/dbraw/zinc/85/19/20/1049851920.db2.gz CNQRQCMDBPDUBG-UHFFFAOYSA-N 1 1 398.200 3.957 20 5 GHBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+](Cc2ccoc2)C2CC2)c1 ZINC001308106543 1049851935 /nfs/dbraw/zinc/85/19/35/1049851935.db2.gz CNQRQCMDBPDUBG-UHFFFAOYSA-N 1 1 398.200 3.957 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001308129983 1049873583 /nfs/dbraw/zinc/87/35/83/1049873583.db2.gz JZTFNFYIQFBUNB-TZMCWYRMSA-N 1 1 383.876 3.841 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC001290890758 1049944805 /nfs/dbraw/zinc/94/48/05/1049944805.db2.gz AZMDWMZLKMJEPQ-OAHLLOKOSA-N 1 1 379.526 3.949 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC001308823647 1050108947 /nfs/dbraw/zinc/10/89/47/1050108947.db2.gz GSNHAUNQLVSNFX-HOTGVXAUSA-N 1 1 378.469 3.793 20 5 GHBDMO C[C@@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001310800431 1051600557 /nfs/dbraw/zinc/60/05/57/1051600557.db2.gz PNAZPXYPIMYMEE-HNNXBMFYSA-N 1 1 386.427 3.720 20 5 GHBDMO C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001312253729 1052662141 /nfs/dbraw/zinc/66/21/41/1052662141.db2.gz LWLUVPHXNALMJC-ZHALLVOQSA-N 1 1 396.491 3.661 20 5 GHBDMO C[C@@H](CNC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001313352182 1053027926 /nfs/dbraw/zinc/02/79/26/1053027926.db2.gz NAADJLHXQNEVSX-HTAPYJJXSA-N 1 1 396.491 3.662 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001319416395 1055238679 /nfs/dbraw/zinc/23/86/79/1055238679.db2.gz QWJFCJCHYXUPJC-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001321358871 1056234388 /nfs/dbraw/zinc/23/43/88/1056234388.db2.gz CVCTYORGLJEFIO-NRFANRHFSA-N 1 1 394.475 3.531 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001322615358 1056770872 /nfs/dbraw/zinc/77/08/72/1056770872.db2.gz FBXJVJKKKBLKFL-INIZCTEOSA-N 1 1 388.512 3.753 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(F)cc1 ZINC001323001855 1056905374 /nfs/dbraw/zinc/90/53/74/1056905374.db2.gz BBHNFHDKHVDGQX-QFBILLFUSA-N 1 1 383.379 3.655 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(F)cc1 ZINC001323001855 1056905377 /nfs/dbraw/zinc/90/53/77/1056905377.db2.gz BBHNFHDKHVDGQX-QFBILLFUSA-N 1 1 383.379 3.655 20 5 GHBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+](CCc1ccccc1)C1CC1 ZINC000848477426 1057114381 /nfs/dbraw/zinc/11/43/81/1057114381.db2.gz PJWGUZNILJQMBI-OAQYLSRUSA-N 1 1 379.460 3.575 20 5 GHBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+](CCc1ccccc1)C1CC1 ZINC000848477426 1057114384 /nfs/dbraw/zinc/11/43/84/1057114384.db2.gz PJWGUZNILJQMBI-OAQYLSRUSA-N 1 1 379.460 3.575 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000848478120 1057115098 /nfs/dbraw/zinc/11/50/98/1057115098.db2.gz GNHWULRQBLKFPW-OAQYLSRUSA-N 1 1 378.432 3.879 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000848478120 1057115100 /nfs/dbraw/zinc/11/51/00/1057115100.db2.gz GNHWULRQBLKFPW-OAQYLSRUSA-N 1 1 378.432 3.879 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC001325192723 1057287067 /nfs/dbraw/zinc/28/70/67/1057287067.db2.gz FLDVBRYRJCVDRD-FUHWJXTLSA-N 1 1 391.830 3.871 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC001325192723 1057287072 /nfs/dbraw/zinc/28/70/72/1057287072.db2.gz FLDVBRYRJCVDRD-FUHWJXTLSA-N 1 1 391.830 3.871 20 5 GHBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001439616918 1058233575 /nfs/dbraw/zinc/23/35/75/1058233575.db2.gz ZODHXIRCTNZOCE-AWEZNQCLSA-N 1 1 385.917 3.529 20 5 GHBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001439616918 1058233585 /nfs/dbraw/zinc/23/35/85/1058233585.db2.gz ZODHXIRCTNZOCE-AWEZNQCLSA-N 1 1 385.917 3.529 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001442268874 1058942648 /nfs/dbraw/zinc/94/26/48/1058942648.db2.gz YAPNYWTZGILNDJ-SWLSCSKDSA-N 1 1 391.830 3.953 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC001447264238 1059942058 /nfs/dbraw/zinc/94/20/58/1059942058.db2.gz OXYOZNBLJYITCI-UHFFFAOYSA-N 1 1 399.491 3.699 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC001449891268 1060478062 /nfs/dbraw/zinc/47/80/62/1060478062.db2.gz JBXXJOHRIRNTPI-OAHLLOKOSA-N 1 1 377.510 3.552 20 5 GHBDMO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[N@H+]1C ZINC001454886313 1061951308 /nfs/dbraw/zinc/95/13/08/1061951308.db2.gz CNLZRFUWYIZQEZ-LJQANCHMSA-N 1 1 383.448 3.799 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001435336937 1062520474 /nfs/dbraw/zinc/52/04/74/1062520474.db2.gz BRKDFAOHBFEBAI-VQIMIIECSA-N 1 1 381.476 3.852 20 5 GHBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2c3ccccc3cc3ccccc32)[C@@H](C)C1 ZINC001435715378 1062876776 /nfs/dbraw/zinc/87/67/76/1062876776.db2.gz QQEAQNHGNMKIEQ-KRWDZBQOSA-N 1 1 390.483 3.702 20 5 GHBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2c3ccccc3cc3ccccc32)[C@@H](C)C1 ZINC001435715378 1062876798 /nfs/dbraw/zinc/87/67/98/1062876798.db2.gz QQEAQNHGNMKIEQ-KRWDZBQOSA-N 1 1 390.483 3.702 20 5 GHBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC001435741756 1062904676 /nfs/dbraw/zinc/90/46/76/1062904676.db2.gz YHZRZHLYPPWWQQ-IAGOWNOFSA-N 1 1 396.491 3.762 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001456942817 1062925649 /nfs/dbraw/zinc/92/56/49/1062925649.db2.gz RPERTQLXKDRJHO-IBGZPJMESA-N 1 1 381.476 3.806 20 5 GHBDMO COC(=O)c1cnc(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001458449357 1063813093 /nfs/dbraw/zinc/81/30/93/1063813093.db2.gz ZTOCKUYEKYVUFY-INIZCTEOSA-N 1 1 387.461 3.533 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001437766089 1063928025 /nfs/dbraw/zinc/92/80/25/1063928025.db2.gz FMCNBBTXBIGUPG-OAHLLOKOSA-N 1 1 385.386 3.750 20 5 GHBDMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001349875368 1063932382 /nfs/dbraw/zinc/93/23/82/1063932382.db2.gz QZBVKSXULHJSCX-RDJZCZTQSA-N 1 1 398.463 3.778 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC001459743754 1064196666 /nfs/dbraw/zinc/19/66/66/1064196666.db2.gz YLFAKUSBZUCUSY-CALCHBBNSA-N 1 1 399.878 3.761 20 5 GHBDMO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[N@H+]1Cc1ccccc1 ZINC001465158762 1065426063 /nfs/dbraw/zinc/42/60/63/1065426063.db2.gz XVEYDRMGKRVRGJ-KRWDZBQOSA-N 1 1 398.463 3.732 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001466375881 1066120724 /nfs/dbraw/zinc/12/07/24/1066120724.db2.gz NPYHOYKNJMSDNH-GASCZTMLSA-N 1 1 392.500 3.872 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001467084756 1067057377 /nfs/dbraw/zinc/05/73/77/1067057377.db2.gz MQVAWAWCHKJVFM-ZDUSSCGKSA-N 1 1 383.880 3.607 20 5 GHBDMO Cc1cc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC001467529188 1067344518 /nfs/dbraw/zinc/34/45/18/1067344518.db2.gz BDHYKANQBZZWLF-HXUWFJFHSA-N 1 1 382.464 3.935 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H]([C@H]3CCCC3(C)C)C2)cc1[N+](=O)[O-] ZINC001474595761 1067730168 /nfs/dbraw/zinc/73/01/68/1067730168.db2.gz YEGSVIPFLZGDKC-DLBZAZTESA-N 1 1 390.480 3.795 20 5 GHBDMO CC[C@@H](NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001469429372 1068159306 /nfs/dbraw/zinc/15/93/06/1068159306.db2.gz UUQVJLHKBWVWPN-OXFYSEKESA-N 1 1 388.512 3.998 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1Cl ZINC001360412252 1068490526 /nfs/dbraw/zinc/49/05/26/1068490526.db2.gz OQDQFUFNDMCZDE-MRXNPFEDSA-N 1 1 387.867 3.951 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001361048153 1068751214 /nfs/dbraw/zinc/75/12/14/1068751214.db2.gz RHYHVBDYZYCRDC-ZJMJOCHXSA-N 1 1 393.487 3.725 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)Cc3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC001460319186 1068923526 /nfs/dbraw/zinc/92/35/26/1068923526.db2.gz UQKRHDKJTYLBAJ-IYBDPMFKSA-N 1 1 389.521 3.898 20 5 GHBDMO O=C(C[NH+]1CCC2(CCc3ccccc3C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001460337559 1068931503 /nfs/dbraw/zinc/93/15/03/1068931503.db2.gz LTFWVUQFZAPLOS-UHFFFAOYSA-N 1 1 379.460 3.804 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CCO)c3cc(Cl)cc(Cl)c3)nc2c1 ZINC001460568130 1068999430 /nfs/dbraw/zinc/99/94/30/1068999430.db2.gz HMRVKLBTIQHRGO-AWEZNQCLSA-N 1 1 395.246 3.991 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001460771853 1069168947 /nfs/dbraw/zinc/16/89/47/1069168947.db2.gz OKALFTPWRMIHLB-LLVKDONJSA-N 1 1 395.232 3.666 20 5 GHBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001460771853 1069168958 /nfs/dbraw/zinc/16/89/58/1069168958.db2.gz OKALFTPWRMIHLB-LLVKDONJSA-N 1 1 395.232 3.666 20 5 GHBDMO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1Br ZINC001460784124 1069175878 /nfs/dbraw/zinc/17/58/78/1069175878.db2.gz AHOVHUMLNYKRDK-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1Br ZINC001460784124 1069175882 /nfs/dbraw/zinc/17/58/82/1069175882.db2.gz AHOVHUMLNYKRDK-UHFFFAOYSA-N 1 1 393.237 3.761 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001460938318 1069286170 /nfs/dbraw/zinc/28/61/70/1069286170.db2.gz RZORKKQAOVTCEV-QGZVFWFLSA-N 1 1 383.448 3.645 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001460938318 1069286182 /nfs/dbraw/zinc/28/61/82/1069286182.db2.gz RZORKKQAOVTCEV-QGZVFWFLSA-N 1 1 383.448 3.645 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001472777615 1073661298 /nfs/dbraw/zinc/66/12/98/1073661298.db2.gz HZZDYQZJLOKNFA-UHFFFAOYSA-N 1 1 399.407 3.603 20 5 GHBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1Cc1ccccc1 ZINC001472780007 1073662435 /nfs/dbraw/zinc/66/24/35/1073662435.db2.gz OCZVSQWFNKKMNK-MRXNPFEDSA-N 1 1 379.382 3.977 20 5 GHBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001472821952 1073681556 /nfs/dbraw/zinc/68/15/56/1073681556.db2.gz CLHLMEBMHCIDDL-OWCLPIDISA-N 1 1 384.436 3.991 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473175376 1073832114 /nfs/dbraw/zinc/83/21/14/1073832114.db2.gz KGXHMBPHPSOJIK-IBGZPJMESA-N 1 1 383.492 3.960 20 5 GHBDMO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473175376 1073832121 /nfs/dbraw/zinc/83/21/21/1073832121.db2.gz KGXHMBPHPSOJIK-IBGZPJMESA-N 1 1 383.492 3.960 20 5 GHBDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473175376 1073832128 /nfs/dbraw/zinc/83/21/28/1073832128.db2.gz KGXHMBPHPSOJIK-IBGZPJMESA-N 1 1 383.492 3.960 20 5 GHBDMO CCCOc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC001473291026 1073908592 /nfs/dbraw/zinc/90/85/92/1073908592.db2.gz LGLIABCIBNUFPI-UHFFFAOYSA-N 1 1 383.448 3.771 20 5 GHBDMO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001473334350 1073925312 /nfs/dbraw/zinc/92/53/12/1073925312.db2.gz PIPGSSDZPQMNPR-JKSUJKDBSA-N 1 1 393.484 3.693 20 5 GHBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001473334350 1073925316 /nfs/dbraw/zinc/92/53/16/1073925316.db2.gz PIPGSSDZPQMNPR-JKSUJKDBSA-N 1 1 393.484 3.693 20 5 GHBDMO C[N@@H+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001473351049 1073931551 /nfs/dbraw/zinc/93/15/51/1073931551.db2.gz UAGZKBAXHTWTIM-SFHVURJKSA-N 1 1 390.281 3.846 20 5 GHBDMO C[N@H+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001473351049 1073931555 /nfs/dbraw/zinc/93/15/55/1073931555.db2.gz UAGZKBAXHTWTIM-SFHVURJKSA-N 1 1 390.281 3.846 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001473393436 1073947607 /nfs/dbraw/zinc/94/76/07/1073947607.db2.gz VBDDHKWWBYBRJN-INIZCTEOSA-N 1 1 383.876 3.983 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001473393436 1073947608 /nfs/dbraw/zinc/94/76/08/1073947608.db2.gz VBDDHKWWBYBRJN-INIZCTEOSA-N 1 1 383.876 3.983 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)c1 ZINC001473491342 1073988022 /nfs/dbraw/zinc/98/80/22/1073988022.db2.gz VQQUJQYLWDMKRA-QGZVFWFLSA-N 1 1 398.459 3.845 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@H]1COc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001473506783 1073993288 /nfs/dbraw/zinc/99/32/88/1073993288.db2.gz ONOAJFWXDRJCDG-HNNXBMFYSA-N 1 1 389.839 3.730 20 5 GHBDMO O=C(C[N@H+]1CCC[C@H]1COc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001473506783 1073993291 /nfs/dbraw/zinc/99/32/91/1073993291.db2.gz ONOAJFWXDRJCDG-HNNXBMFYSA-N 1 1 389.839 3.730 20 5 GHBDMO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001473561299 1074017788 /nfs/dbraw/zinc/01/77/88/1074017788.db2.gz KYCJQIHOSXQFHR-OCCSQVGLSA-N 1 1 382.432 3.542 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001473561299 1074017796 /nfs/dbraw/zinc/01/77/96/1074017796.db2.gz KYCJQIHOSXQFHR-OCCSQVGLSA-N 1 1 382.432 3.542 20 5 GHBDMO CC1(C)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCc2ccccc21 ZINC001473635125 1074059739 /nfs/dbraw/zinc/05/97/39/1074059739.db2.gz DVIZVYLADGSVOO-FQEVSTJZSA-N 1 1 379.460 3.536 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cnc3ccc(Br)cn23)c1 ZINC001474069776 1074253971 /nfs/dbraw/zinc/25/39/71/1074253971.db2.gz PVJQMIVGSQFHBV-UHFFFAOYSA-N 1 1 395.644 3.948 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](n3cccn3)C(F)(F)F)o2)cc1 ZINC001474221848 1074298646 /nfs/dbraw/zinc/29/86/46/1074298646.db2.gz YEYCKNISZKPMMP-INIZCTEOSA-N 1 1 380.326 3.945 20 5 GHBDMO CC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[N@H+]1CCc2ccccc2C1 ZINC001476341812 1075129771 /nfs/dbraw/zinc/12/97/71/1075129771.db2.gz AGEJEBIFIGBUDV-LJQANCHMSA-N 1 1 382.464 3.862 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826498471 608523968 /nfs/dbraw/zinc/52/39/68/608523968.db2.gz WMGBELRRKDZODI-QGZVFWFLSA-N 1 1 384.827 3.596 20 5 GHBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164650447 719317513 /nfs/dbraw/zinc/31/75/13/719317513.db2.gz DNZPYMWCUNIJCR-UHFFFAOYSA-N 1 1 394.479 3.545 20 5 GHBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])cc2F)CC3)cs1 ZINC001164694481 719807296 /nfs/dbraw/zinc/80/72/96/719807296.db2.gz YSWPARBZKXKTCO-UHFFFAOYSA-N 1 1 391.472 3.529 20 5 GHBDMO Cc1ccnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164838806 720672099 /nfs/dbraw/zinc/67/20/99/720672099.db2.gz HQQKLIVNNBVDLR-IBGZPJMESA-N 1 1 396.491 3.558 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc3cc([N+](=O)[O-])ccc31)[C@H]2C ZINC001164863202 721021193 /nfs/dbraw/zinc/02/11/93/721021193.db2.gz UKDJNHLATHAJMW-HNNXBMFYSA-N 1 1 394.479 3.761 20 5 GHBDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000180650887 837423050 /nfs/dbraw/zinc/42/30/50/837423050.db2.gz VZGQRWRXGPGTLQ-MGPUTAFESA-N 1 1 396.447 3.534 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000175270586 834415691 /nfs/dbraw/zinc/41/56/91/834415691.db2.gz JVMLTQAKCSYNHY-IBGZPJMESA-N 1 1 381.476 3.887 20 5 GHBDMO COc1ccc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000584442708 834622935 /nfs/dbraw/zinc/62/29/35/834622935.db2.gz DIYNJRKBKKQIJQ-FUHWJXTLSA-N 1 1 397.475 3.885 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000175282580 834695187 /nfs/dbraw/zinc/69/51/87/834695187.db2.gz VUXPBWROTWTQAB-GOSISDBHSA-N 1 1 397.475 3.588 20 5 GHBDMO C[C@@H]1C[C@H](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000510069996 834834308 /nfs/dbraw/zinc/83/43/08/834834308.db2.gz HQGAZPZLXDVHGH-NQIIRXRSSA-N 1 1 395.503 3.944 20 5 GHBDMO CSc1cccc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000187110057 835016132 /nfs/dbraw/zinc/01/61/32/835016132.db2.gz REYCOXVZQUMXEY-GOSISDBHSA-N 1 1 399.516 3.957 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000708572283 835066630 /nfs/dbraw/zinc/06/66/30/835066630.db2.gz ZDROYSXRBPBKJB-DZGCQCFKSA-N 1 1 383.477 3.780 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000472343653 835177351 /nfs/dbraw/zinc/17/73/51/835177351.db2.gz SFIPCSLBIQDMLO-AEFFLSMTSA-N 1 1 397.475 3.885 20 5 GHBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000179000163 835233562 /nfs/dbraw/zinc/23/35/62/835233562.db2.gz AAAONVYOXIXASW-SUMWQHHRSA-N 1 1 385.489 3.898 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000430230624 835271951 /nfs/dbraw/zinc/27/19/51/835271951.db2.gz AGSYUAUVMSHJKL-IBGZPJMESA-N 1 1 398.463 3.780 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000430230624 835271958 /nfs/dbraw/zinc/27/19/58/835271958.db2.gz AGSYUAUVMSHJKL-IBGZPJMESA-N 1 1 398.463 3.780 20 5 GHBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)c1cccc(OC)c1 ZINC000052705978 835305029 /nfs/dbraw/zinc/30/50/29/835305029.db2.gz PQWMKHDPPDRESV-HNNXBMFYSA-N 1 1 383.448 3.576 20 5 GHBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)c1cccc(OC)c1 ZINC000052705978 835305038 /nfs/dbraw/zinc/30/50/38/835305038.db2.gz PQWMKHDPPDRESV-HNNXBMFYSA-N 1 1 383.448 3.576 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612132943 835583454 /nfs/dbraw/zinc/58/34/54/835583454.db2.gz NNFYMEMMXKGDHZ-BVYCBKJFSA-N 1 1 393.487 3.934 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388237 835669196 /nfs/dbraw/zinc/66/91/96/835669196.db2.gz AMLRRYVFUBMAER-UHFFFAOYSA-N 1 1 384.480 3.737 20 5 GHBDMO C[N@H+]1CCC[C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000255001018 835673025 /nfs/dbraw/zinc/67/30/25/835673025.db2.gz SALRFIQRTIQLTQ-UIJCHRQJSA-N 1 1 385.489 3.869 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000179464116 835733423 /nfs/dbraw/zinc/73/34/23/835733423.db2.gz YIEZFOXKBACDGT-RTBURBONSA-N 1 1 382.464 3.575 20 5 GHBDMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429950694 844086012 /nfs/dbraw/zinc/08/60/12/844086012.db2.gz XKUVVIAANLVMIV-UHFFFAOYSA-N 1 1 381.476 3.607 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179512991 835786582 /nfs/dbraw/zinc/78/65/82/835786582.db2.gz TUJYEWLAMWXPOU-OAHLLOKOSA-N 1 1 385.468 3.757 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(OC)cc1 ZINC000053087012 836052114 /nfs/dbraw/zinc/05/21/14/836052114.db2.gz QGASVJHRDLHPSM-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(OC)cc1 ZINC000053087012 836052124 /nfs/dbraw/zinc/05/21/24/836052124.db2.gz QGASVJHRDLHPSM-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO COc1ccc(C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000411142076 836067906 /nfs/dbraw/zinc/06/79/06/836067906.db2.gz WVEXEDIQWSTWTQ-UHFFFAOYSA-N 1 1 399.447 3.605 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000411213294 836107653 /nfs/dbraw/zinc/10/76/53/836107653.db2.gz CHLCVELDCDHDCQ-SFHVURJKSA-N 1 1 399.447 3.778 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(N)c3F)cc2)C[C@H](C)O1 ZINC000471244443 836300628 /nfs/dbraw/zinc/30/06/28/836300628.db2.gz OIPHBLHQDDTTSH-OKILXGFUSA-N 1 1 388.443 3.537 20 5 GHBDMO CC(C)[N@H+](C)CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236653101 836356494 /nfs/dbraw/zinc/35/64/94/836356494.db2.gz ZRWBFZMEUPQJRM-UHFFFAOYSA-N 1 1 393.491 3.877 20 5 GHBDMO CC(C)[N@@H+](C)CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236653101 836356501 /nfs/dbraw/zinc/35/65/01/836356501.db2.gz ZRWBFZMEUPQJRM-UHFFFAOYSA-N 1 1 393.491 3.877 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000411823799 836371300 /nfs/dbraw/zinc/37/13/00/836371300.db2.gz QAIRQRAAXJBOIV-AWEZNQCLSA-N 1 1 389.427 3.634 20 5 GHBDMO CCc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1[N+](=O)[O-] ZINC000471258655 836398084 /nfs/dbraw/zinc/39/80/84/836398084.db2.gz JYHUAMVUNAQNEM-UHFFFAOYSA-N 1 1 382.395 3.720 20 5 GHBDMO CC(C)(NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431678839 836719091 /nfs/dbraw/zinc/71/90/91/836719091.db2.gz MYEACJCPZQJGAO-IBGZPJMESA-N 1 1 396.491 3.794 20 5 GHBDMO COc1cccc([C@H]2[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000180067338 837064423 /nfs/dbraw/zinc/06/44/23/837064423.db2.gz FXDQKIHNLXJDEA-UXHICEINSA-N 1 1 396.447 3.703 20 5 GHBDMO C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000180392759 837203331 /nfs/dbraw/zinc/20/33/31/837203331.db2.gz QQVGKYNTTWCFRO-NSHDSACASA-N 1 1 393.237 3.979 20 5 GHBDMO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000463038865 837253025 /nfs/dbraw/zinc/25/30/25/837253025.db2.gz RQJKNMKMLXFPAY-CQSZACIVSA-N 1 1 380.828 3.746 20 5 GHBDMO COCC[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000463038865 837253028 /nfs/dbraw/zinc/25/30/28/837253028.db2.gz RQJKNMKMLXFPAY-CQSZACIVSA-N 1 1 380.828 3.746 20 5 GHBDMO Cc1cc(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000472506532 837256488 /nfs/dbraw/zinc/25/64/88/837256488.db2.gz STEMXNJUENTWQS-LFUKPOHLSA-N 1 1 381.476 3.790 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1Cc1ccccc1 ZINC000177475676 837962366 /nfs/dbraw/zinc/96/23/66/837962366.db2.gz GFDWPIDROQFEKY-NVXWUHKLSA-N 1 1 392.459 3.859 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101918052 838026435 /nfs/dbraw/zinc/02/64/35/838026435.db2.gz NWCPZDUPXRXSKU-UHFFFAOYSA-N 1 1 387.411 3.593 20 5 GHBDMO C[N@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000535675404 844296499 /nfs/dbraw/zinc/29/64/99/844296499.db2.gz KTIZCOOJNVPCGD-QGZVFWFLSA-N 1 1 377.803 3.625 20 5 GHBDMO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000535675404 844296507 /nfs/dbraw/zinc/29/65/07/844296507.db2.gz KTIZCOOJNVPCGD-QGZVFWFLSA-N 1 1 377.803 3.625 20 5 GHBDMO C[C@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000471449104 838162792 /nfs/dbraw/zinc/16/27/92/838162792.db2.gz KJMSUBBSBPCIKI-OAHLLOKOSA-N 1 1 389.883 3.818 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000412298967 838184653 /nfs/dbraw/zinc/18/46/53/838184653.db2.gz ZHAUVDYHUWYRRD-UHFFFAOYSA-N 1 1 399.447 3.769 20 5 GHBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000500955978 844307391 /nfs/dbraw/zinc/30/73/91/844307391.db2.gz FQTTXQJAGHWOFY-KRWDZBQOSA-N 1 1 399.447 3.778 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCc1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000560545377 838392212 /nfs/dbraw/zinc/39/22/12/838392212.db2.gz LZYIWIYFRROMRX-FQEVSTJZSA-N 1 1 376.416 3.996 20 5 GHBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000414544283 838616949 /nfs/dbraw/zinc/61/69/49/838616949.db2.gz CZCGIQYYAVUCAZ-QGZVFWFLSA-N 1 1 383.448 3.832 20 5 GHBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000155591057 838715339 /nfs/dbraw/zinc/71/53/39/838715339.db2.gz TYQLJMOGJXHLFO-AWEZNQCLSA-N 1 1 391.855 3.856 20 5 GHBDMO COc1ccc(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000892802227 839126941 /nfs/dbraw/zinc/12/69/41/839126941.db2.gz RPGBJQFOEDJENM-UHFFFAOYSA-N 1 1 386.326 3.626 20 5 GHBDMO C[C@H](NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000549170565 839144194 /nfs/dbraw/zinc/14/41/94/839144194.db2.gz KQDPFGFJXZDJDN-AWEZNQCLSA-N 1 1 375.856 3.600 20 5 GHBDMO C[C@H](NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000549170565 839144199 /nfs/dbraw/zinc/14/41/99/839144199.db2.gz KQDPFGFJXZDJDN-AWEZNQCLSA-N 1 1 375.856 3.600 20 5 GHBDMO Cc1ccccc1OCCC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000052457708 844411849 /nfs/dbraw/zinc/41/18/49/844411849.db2.gz PQAUFYXEDPCQOA-UHFFFAOYSA-N 1 1 382.420 3.854 20 5 GHBDMO Cc1ccccc1OCCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000052457708 844411856 /nfs/dbraw/zinc/41/18/56/844411856.db2.gz PQAUFYXEDPCQOA-UHFFFAOYSA-N 1 1 382.420 3.854 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)nc2c1 ZINC000278813413 839389431 /nfs/dbraw/zinc/38/94/31/839389431.db2.gz YXGBSQUJAURCPO-UHFFFAOYSA-N 1 1 388.811 3.576 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000175806409 839487623 /nfs/dbraw/zinc/48/76/23/839487623.db2.gz NRGBIDNJUYUVHI-RDJZCZTQSA-N 1 1 376.501 3.776 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c2c(c1)COCO2 ZINC000175819290 839633061 /nfs/dbraw/zinc/63/30/61/839633061.db2.gz MJIWYLCRDFPJMG-DOTOQJQBSA-N 1 1 390.461 3.611 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610445959 839721602 /nfs/dbraw/zinc/72/16/02/839721602.db2.gz LRIKKBJCZOXYQM-MRXNPFEDSA-N 1 1 392.459 3.813 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412124559 839731244 /nfs/dbraw/zinc/73/12/44/839731244.db2.gz QEYBLUVGELSXIK-SQBLYHGDSA-N 1 1 385.508 3.811 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000119244592 839932369 /nfs/dbraw/zinc/93/23/69/839932369.db2.gz JPUFVWBOXVXRNY-XLIONFOSSA-N 1 1 381.476 3.697 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCSC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000535803050 844486306 /nfs/dbraw/zinc/48/63/06/844486306.db2.gz YRQKIRKSZMWWBM-SFHVURJKSA-N 1 1 387.505 3.663 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCSC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000535803050 844486309 /nfs/dbraw/zinc/48/63/09/844486309.db2.gz YRQKIRKSZMWWBM-SFHVURJKSA-N 1 1 387.505 3.663 20 5 GHBDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000047127641 840215853 /nfs/dbraw/zinc/21/58/53/840215853.db2.gz WSEDUFSGMIVRTM-HZPDHXFCSA-N 1 1 398.463 3.526 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1ccccc1Cl ZINC000015103664 840225082 /nfs/dbraw/zinc/22/50/82/840225082.db2.gz KQRXDXLQQKLKDC-ZDUSSCGKSA-N 1 1 377.828 3.586 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOc1ccccc1Cl ZINC000015103664 840225093 /nfs/dbraw/zinc/22/50/93/840225093.db2.gz KQRXDXLQQKLKDC-ZDUSSCGKSA-N 1 1 377.828 3.586 20 5 GHBDMO CN(C)c1cccc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000120265818 840468265 /nfs/dbraw/zinc/46/82/65/840468265.db2.gz LVEDJAGHRVNXTA-UHFFFAOYSA-N 1 1 380.448 3.990 20 5 GHBDMO Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000511741425 840585686 /nfs/dbraw/zinc/58/56/86/840585686.db2.gz IUTDFULDWLXUNS-FQEVSTJZSA-N 1 1 381.476 3.934 20 5 GHBDMO COc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000511741548 840585783 /nfs/dbraw/zinc/58/57/83/840585783.db2.gz KMQPWTCHWXFRMQ-LJQANCHMSA-N 1 1 397.475 3.634 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CCCC2 ZINC000417311657 840708155 /nfs/dbraw/zinc/70/81/55/840708155.db2.gz POVZFTSURBCCIX-BHIFYINESA-N 1 1 387.524 3.720 20 5 GHBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3nc(-c4ccccc4Cl)sc3C2)c1 ZINC000581154250 840802121 /nfs/dbraw/zinc/80/21/21/840802121.db2.gz DLDSJANOPSUABX-UHFFFAOYSA-N 1 1 389.868 3.627 20 5 GHBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3nc(-c4ccccc4Cl)sc3C2)c1 ZINC000581154250 840802129 /nfs/dbraw/zinc/80/21/29/840802129.db2.gz DLDSJANOPSUABX-UHFFFAOYSA-N 1 1 389.868 3.627 20 5 GHBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181668114 840887954 /nfs/dbraw/zinc/88/79/54/840887954.db2.gz VOBCKJBYOUTQGM-QWHCGFSZSA-N 1 1 397.422 3.579 20 5 GHBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511846066 840939505 /nfs/dbraw/zinc/93/95/05/840939505.db2.gz SSEZSNDJYAURPC-IYWMVGAKSA-N 1 1 382.460 3.603 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511856636 840967602 /nfs/dbraw/zinc/96/76/02/840967602.db2.gz YUDWKBTXDTVHRM-QWFCFKBJSA-N 1 1 395.459 3.810 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123050635 841318033 /nfs/dbraw/zinc/31/80/33/841318033.db2.gz KDCZGFURLVMVJC-CYBMUJFWSA-N 1 1 395.419 3.980 20 5 GHBDMO CN1C[C@@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1=O ZINC000600178237 861194133 /nfs/dbraw/zinc/19/41/33/861194133.db2.gz IQXCXIZTTROOPR-INIZCTEOSA-N 1 1 387.411 3.579 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000123107292 841465639 /nfs/dbraw/zinc/46/56/39/841465639.db2.gz HHIWFJUZIMMCSF-NVXWUHKLSA-N 1 1 398.463 3.778 20 5 GHBDMO CCC[N@@H+](CCc1cccc(F)c1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000500164426 841556425 /nfs/dbraw/zinc/55/64/25/841556425.db2.gz QVHJJMYEMYXFPY-UHFFFAOYSA-N 1 1 385.439 3.578 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000108385711 841596927 /nfs/dbraw/zinc/59/69/27/841596927.db2.gz YWEHGDFHWMLAHU-IBGZPJMESA-N 1 1 378.432 3.902 20 5 GHBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000108385711 841596932 /nfs/dbraw/zinc/59/69/32/841596932.db2.gz YWEHGDFHWMLAHU-IBGZPJMESA-N 1 1 378.432 3.902 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511656170 841724232 /nfs/dbraw/zinc/72/42/32/841724232.db2.gz MGTPWFRSYPVSMO-NJYVYQBISA-N 1 1 382.460 3.998 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOc1ccccc1F ZINC000015046452 841821504 /nfs/dbraw/zinc/82/15/04/841821504.db2.gz JMCGVNILUVVHJG-CYBMUJFWSA-N 1 1 386.383 3.856 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOc1ccccc1F ZINC000015046452 841821511 /nfs/dbraw/zinc/82/15/11/841821511.db2.gz JMCGVNILUVVHJG-CYBMUJFWSA-N 1 1 386.383 3.856 20 5 GHBDMO Cc1c(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000581764021 842168781 /nfs/dbraw/zinc/16/87/81/842168781.db2.gz CKRODLHJLBEJDM-LBPRGKRZSA-N 1 1 399.289 3.518 20 5 GHBDMO CCS[C@@H]1CCCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112088517 842182152 /nfs/dbraw/zinc/18/21/52/842182152.db2.gz MJEPFIIKVXHTEM-OAHLLOKOSA-N 1 1 381.498 3.540 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000198213481 842201381 /nfs/dbraw/zinc/20/13/81/842201381.db2.gz COJCJHTXODMQBM-UHFFFAOYSA-N 1 1 387.867 3.525 20 5 GHBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000198213481 842201392 /nfs/dbraw/zinc/20/13/92/842201392.db2.gz COJCJHTXODMQBM-UHFFFAOYSA-N 1 1 387.867 3.525 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600230524 861317604 /nfs/dbraw/zinc/31/76/04/861317604.db2.gz SZPMBRWYNUEYEC-CQSZACIVSA-N 1 1 385.386 3.750 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000512111284 842532210 /nfs/dbraw/zinc/53/22/10/842532210.db2.gz GHSCHRFKYYVXSG-FXAWDEMLSA-N 1 1 396.491 3.614 20 5 GHBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000279240310 842758915 /nfs/dbraw/zinc/75/89/15/842758915.db2.gz FVWBAXJPTWBNKT-OAHLLOKOSA-N 1 1 399.447 3.639 20 5 GHBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000610571070 842831320 /nfs/dbraw/zinc/83/13/20/842831320.db2.gz FDJSQVVRDXQCFV-UHFFFAOYSA-N 1 1 391.493 3.645 20 5 GHBDMO CCCCCC(=O)NC1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728900581 842861121 /nfs/dbraw/zinc/86/11/21/842861121.db2.gz LRVWZKRYVSHBGK-UHFFFAOYSA-N 1 1 399.495 3.577 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430772713 842964043 /nfs/dbraw/zinc/96/40/43/842964043.db2.gz MRKDPLYRDGBQMW-AWEZNQCLSA-N 1 1 393.509 3.682 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCSC2(CCCCC2)C1 ZINC000430772713 842964046 /nfs/dbraw/zinc/96/40/46/842964046.db2.gz MRKDPLYRDGBQMW-AWEZNQCLSA-N 1 1 393.509 3.682 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000120356865 843057084 /nfs/dbraw/zinc/05/70/84/843057084.db2.gz QZFSNYHZZFGDDH-QWRGUYRKSA-N 1 1 379.363 3.559 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000510629620 843091319 /nfs/dbraw/zinc/09/13/19/843091319.db2.gz NBHBJYQRBMTDFI-FQEVSTJZSA-N 1 1 381.476 3.698 20 5 GHBDMO O=C(CCCc1ccccc1)N[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000510629620 843091324 /nfs/dbraw/zinc/09/13/24/843091324.db2.gz NBHBJYQRBMTDFI-FQEVSTJZSA-N 1 1 381.476 3.698 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000430932440 843197459 /nfs/dbraw/zinc/19/74/59/843197459.db2.gz GPYXDANHVLCJOP-OAQYLSRUSA-N 1 1 397.475 3.647 20 5 GHBDMO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000599601711 861399351 /nfs/dbraw/zinc/39/93/51/861399351.db2.gz ZTBSMFQKAVCELU-NSHDSACASA-N 1 1 393.827 3.555 20 5 GHBDMO O=C(CC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610614538 843298028 /nfs/dbraw/zinc/29/80/28/843298028.db2.gz YNAHPKCWCVUKSE-TXEJJXNPSA-N 1 1 399.291 3.596 20 5 GHBDMO Cc1ccc2c(c1)C[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000512275879 843299430 /nfs/dbraw/zinc/29/94/30/843299430.db2.gz KDBRZEBGRWJTQX-UHFFFAOYSA-N 1 1 379.416 3.995 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610643974 843348298 /nfs/dbraw/zinc/34/82/98/843348298.db2.gz PDJJOJXXIIPKSG-FXAWDEMLSA-N 1 1 396.491 3.880 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000131487278 861418217 /nfs/dbraw/zinc/41/82/17/861418217.db2.gz OCVUVXVLRAHYTM-QAPCUYQASA-N 1 1 385.439 3.859 20 5 GHBDMO Cc1c(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000128651231 843489218 /nfs/dbraw/zinc/48/92/18/843489218.db2.gz NIQKJCFPUAJMFR-UZLBHIALSA-N 1 1 381.476 3.615 20 5 GHBDMO CC[NH+](CC)Cc1cccc(CN[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000120496089 843858230 /nfs/dbraw/zinc/85/82/30/843858230.db2.gz MJJZORZCUJNVKG-MRXNPFEDSA-N 1 1 384.480 3.553 20 5 GHBDMO CN(C[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000728918883 843963414 /nfs/dbraw/zinc/96/34/14/843963414.db2.gz SEMWZIVETAYWKX-AWEZNQCLSA-N 1 1 381.448 3.813 20 5 GHBDMO CN(C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000728918883 843963420 /nfs/dbraw/zinc/96/34/20/843963420.db2.gz SEMWZIVETAYWKX-AWEZNQCLSA-N 1 1 381.448 3.813 20 5 GHBDMO COc1cc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000512481034 843966914 /nfs/dbraw/zinc/96/69/14/843966914.db2.gz RPHMZBRRUQOFAC-JSGCOSHPSA-N 1 1 388.411 3.720 20 5 GHBDMO C[N@@H+](CCSc1ncc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000432916808 844643140 /nfs/dbraw/zinc/64/31/40/844643140.db2.gz JXXUSQAPUROMHC-UHFFFAOYSA-N 1 1 382.283 3.976 20 5 GHBDMO COc1ccc2[nH]cc(C3=CC[N@@H+](C[C@H](O)c4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000178867968 844885358 /nfs/dbraw/zinc/88/53/58/844885358.db2.gz HLIPPTQEAKFUQR-QFIPXVFZSA-N 1 1 393.443 3.907 20 5 GHBDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000513270319 845168323 /nfs/dbraw/zinc/16/83/23/845168323.db2.gz CPSLVVNHICPJRE-CRAIPNDOSA-N 1 1 381.432 3.976 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046432966 845295530 /nfs/dbraw/zinc/29/55/30/845295530.db2.gz IRBYWBYZBLFXPL-HZPDHXFCSA-N 1 1 383.448 3.765 20 5 GHBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000843806809 861558345 /nfs/dbraw/zinc/55/83/45/861558345.db2.gz YIUHALUSMFLXRW-SCLBCKFNSA-N 1 1 391.468 3.917 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNc2nc3ccccc3cc2[N+](=O)[O-])cc1F ZINC000473528686 845461733 /nfs/dbraw/zinc/46/17/33/845461733.db2.gz UKFHBPWILMDXPZ-UHFFFAOYSA-N 1 1 377.379 3.810 20 5 GHBDMO CCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000513483527 845503698 /nfs/dbraw/zinc/50/36/98/845503698.db2.gz DVWURBRIAKODFA-PZJWPPBQSA-N 1 1 384.476 3.604 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c2c(c1)COCO2 ZINC000555686281 861582536 /nfs/dbraw/zinc/58/25/36/861582536.db2.gz DXOPKFTZUHNOME-SFHVURJKSA-N 1 1 390.823 3.768 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c2c(c1)COCO2 ZINC000555686281 861582541 /nfs/dbraw/zinc/58/25/41/861582541.db2.gz DXOPKFTZUHNOME-SFHVURJKSA-N 1 1 390.823 3.768 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000538915106 845709053 /nfs/dbraw/zinc/70/90/53/845709053.db2.gz AYZJKPRQKUGVBN-UHFFFAOYSA-N 1 1 389.496 3.578 20 5 GHBDMO CCc1ccc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000472079877 845748623 /nfs/dbraw/zinc/74/86/23/845748623.db2.gz XPVLRBXQCMNBCS-QGZVFWFLSA-N 1 1 381.476 3.894 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2CCCOC2)cc1OC ZINC000543846038 845766722 /nfs/dbraw/zinc/76/67/22/845766722.db2.gz YVIXDSHHGOSANX-CVEARBPZSA-N 1 1 380.485 3.887 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000502537086 846175385 /nfs/dbraw/zinc/17/53/85/846175385.db2.gz FHYOSJVTTPGGHA-OAHLLOKOSA-N 1 1 377.466 3.723 20 5 GHBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000421388647 846204075 /nfs/dbraw/zinc/20/40/75/846204075.db2.gz QGDZEQMSJFIZAL-CQSZACIVSA-N 1 1 389.839 3.608 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000511072338 846299994 /nfs/dbraw/zinc/29/99/94/846299994.db2.gz FHOVWFUQUUSTEQ-UHFFFAOYSA-N 1 1 383.492 3.896 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000511072338 846300004 /nfs/dbraw/zinc/30/00/04/846300004.db2.gz FHOVWFUQUUSTEQ-UHFFFAOYSA-N 1 1 383.492 3.896 20 5 GHBDMO CCOc1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000551556993 846433856 /nfs/dbraw/zinc/43/38/56/846433856.db2.gz AWNYJYKLBXEQDA-BEFAXECRSA-N 1 1 387.480 3.956 20 5 GHBDMO Cn1cc(CNC[C@H](C2CCCCC2)[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237022602 846657373 /nfs/dbraw/zinc/65/73/73/846657373.db2.gz ZNTFTTBMLFTGTN-HXUWFJFHSA-N 1 1 385.512 3.595 20 5 GHBDMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413241398 847032167 /nfs/dbraw/zinc/03/21/67/847032167.db2.gz OBUAFPCZFPOTSO-OAHLLOKOSA-N 1 1 397.504 3.866 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511109926 847058250 /nfs/dbraw/zinc/05/82/50/847058250.db2.gz WKFUZKWGSNDQQK-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511109926 847058256 /nfs/dbraw/zinc/05/82/56/847058256.db2.gz WKFUZKWGSNDQQK-ZDUSSCGKSA-N 1 1 391.855 3.758 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000501616976 847060010 /nfs/dbraw/zinc/06/00/10/847060010.db2.gz LKMPUOQEPJBJJO-HZPDHXFCSA-N 1 1 392.459 3.811 20 5 GHBDMO CC[C@@](C)(O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000501878143 847298134 /nfs/dbraw/zinc/29/81/34/847298134.db2.gz YBTMYRICLFEKCN-OAQYLSRUSA-N 1 1 385.464 3.587 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000479059443 847429524 /nfs/dbraw/zinc/42/95/24/847429524.db2.gz LNKWLKMPJLFZJX-UHFFFAOYSA-N 1 1 393.447 3.754 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000479059443 847429527 /nfs/dbraw/zinc/42/95/27/847429527.db2.gz LNKWLKMPJLFZJX-UHFFFAOYSA-N 1 1 393.447 3.754 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420931032 847550229 /nfs/dbraw/zinc/55/02/29/847550229.db2.gz DAONYNLJOZYVAW-FIKGOQFSSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420931032 847550233 /nfs/dbraw/zinc/55/02/33/847550233.db2.gz DAONYNLJOZYVAW-FIKGOQFSSA-N 1 1 397.475 3.533 20 5 GHBDMO C[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000604122214 861806806 /nfs/dbraw/zinc/80/68/06/861806806.db2.gz CULUYRQIFBXUCW-FZKQIMNGSA-N 1 1 390.871 3.911 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000502339443 847772428 /nfs/dbraw/zinc/77/24/28/847772428.db2.gz JAJJCPBDQQMEIL-MRXNPFEDSA-N 1 1 384.480 3.906 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)c2c1 ZINC000611700971 848020508 /nfs/dbraw/zinc/02/05/08/848020508.db2.gz ZYVZZCWVJISOOH-UHFFFAOYSA-N 1 1 383.839 3.514 20 5 GHBDMO Cc1c(CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000480071582 848062485 /nfs/dbraw/zinc/06/24/85/848062485.db2.gz JRVWJFDJCALPGA-QGZVFWFLSA-N 1 1 396.491 3.709 20 5 GHBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000601669759 861939752 /nfs/dbraw/zinc/93/97/52/861939752.db2.gz GQBVQVSGNYPXFS-KRWDZBQOSA-N 1 1 397.450 3.766 20 5 GHBDMO C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000162478414 849084505 /nfs/dbraw/zinc/08/45/05/849084505.db2.gz XVOXEHPAUQFRCZ-MRXNPFEDSA-N 1 1 388.537 3.611 20 5 GHBDMO COc1ccc(-c2ccc(C[NH2+][C@H](CO)c3ccccc3OC)o2)c([N+](=O)[O-])c1 ZINC000522536598 862023613 /nfs/dbraw/zinc/02/36/13/862023613.db2.gz VWGXVYFTYZYTRJ-GOSISDBHSA-N 1 1 398.415 3.695 20 5 GHBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CC[C@H]21 ZINC000278223907 849729639 /nfs/dbraw/zinc/72/96/39/849729639.db2.gz SLKYKXBXWAEESD-MGPUTAFESA-N 1 1 375.472 3.650 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000505514771 849755614 /nfs/dbraw/zinc/75/56/14/849755614.db2.gz LGYRZMXHMQSNNK-LJQANCHMSA-N 1 1 377.510 3.653 20 5 GHBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000434907506 849891778 /nfs/dbraw/zinc/89/17/78/849891778.db2.gz XONCQNJWPMPQPQ-MPGHIAIKSA-N 1 1 383.448 3.808 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC[NH2+]2)cc1 ZINC000505573303 849916557 /nfs/dbraw/zinc/91/65/57/849916557.db2.gz SFJPQYIFKJLHMC-IBGZPJMESA-N 1 1 387.867 3.526 20 5 GHBDMO COCC[N@@H+](C)CC[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000583451278 849921494 /nfs/dbraw/zinc/92/14/94/849921494.db2.gz PYHVCOCWDSIGIO-LEWJYISDSA-N 1 1 383.492 3.881 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132458685 862081576 /nfs/dbraw/zinc/08/15/76/862081576.db2.gz QUBLENXNJQOKBY-UTKZUKDTSA-N 1 1 397.450 3.861 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCN(CC(F)(F)F)CC3)o2)cc1 ZINC000506602802 850070245 /nfs/dbraw/zinc/07/02/45/850070245.db2.gz SAHHFPBWULJXHL-UHFFFAOYSA-N 1 1 383.370 3.925 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCN(CC(F)(F)F)CC3)o2)cc1 ZINC000506602802 850070258 /nfs/dbraw/zinc/07/02/58/850070258.db2.gz SAHHFPBWULJXHL-UHFFFAOYSA-N 1 1 383.370 3.925 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000439913789 850579050 /nfs/dbraw/zinc/57/90/50/850579050.db2.gz WZFUBRYFARSCNS-QFBILLFUSA-N 1 1 384.436 3.560 20 5 GHBDMO Cn1cc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435734203 850820522 /nfs/dbraw/zinc/82/05/22/850820522.db2.gz WLAKMKHKJNLUIC-NRFANRHFSA-N 1 1 397.523 3.882 20 5 GHBDMO Cn1cc(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435734203 850820532 /nfs/dbraw/zinc/82/05/32/850820532.db2.gz WLAKMKHKJNLUIC-NRFANRHFSA-N 1 1 397.523 3.882 20 5 GHBDMO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000425464700 851198768 /nfs/dbraw/zinc/19/87/68/851198768.db2.gz XZLHMHGMLKARMY-CMJOXMDJSA-N 1 1 397.294 3.567 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000604474730 862219638 /nfs/dbraw/zinc/21/96/38/862219638.db2.gz DXVRTOWXTYGBQI-QGZVFWFLSA-N 1 1 396.491 3.969 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[N@H+]1C ZINC000488217399 851274794 /nfs/dbraw/zinc/27/47/94/851274794.db2.gz NVLGVJURSCGJGW-GOEBONIOSA-N 1 1 385.489 3.959 20 5 GHBDMO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000436227874 851342272 /nfs/dbraw/zinc/34/22/72/851342272.db2.gz NUKOCABBKBWKGM-QGZVFWFLSA-N 1 1 391.487 3.925 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521537 862243824 /nfs/dbraw/zinc/24/38/24/862243824.db2.gz PSBWARHDUJUQDL-AVRDEDQJSA-N 1 1 397.475 3.941 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521706 862246032 /nfs/dbraw/zinc/24/60/32/862246032.db2.gz UYXOMPVYXUXFHN-AVRDEDQJSA-N 1 1 397.475 3.941 20 5 GHBDMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(F)cc1 ZINC000604492945 862252632 /nfs/dbraw/zinc/25/26/32/862252632.db2.gz FFQSGCFBNWFCDL-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(F)cc1 ZINC000604492945 862252650 /nfs/dbraw/zinc/25/26/50/862252650.db2.gz FFQSGCFBNWFCDL-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000184231641 851748734 /nfs/dbraw/zinc/74/87/34/851748734.db2.gz WZONJKAINYTDSY-AWEZNQCLSA-N 1 1 387.411 3.593 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000184231641 851748745 /nfs/dbraw/zinc/74/87/45/851748745.db2.gz WZONJKAINYTDSY-AWEZNQCLSA-N 1 1 387.411 3.593 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000175170651 851760580 /nfs/dbraw/zinc/76/05/80/851760580.db2.gz PZASWGBORSEORL-MAUKXSAKSA-N 1 1 388.493 3.539 20 5 GHBDMO C[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000732414554 862280646 /nfs/dbraw/zinc/28/06/46/862280646.db2.gz QQLCIHLFICEQJR-ZDUSSCGKSA-N 1 1 376.844 3.890 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425553283 851917095 /nfs/dbraw/zinc/91/70/95/851917095.db2.gz MAIQMUVYKUZNMW-KDOFPFPSSA-N 1 1 398.463 3.987 20 5 GHBDMO COc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000543889060 852028579 /nfs/dbraw/zinc/02/85/79/852028579.db2.gz PCVSCHKAQXKKRX-MRXNPFEDSA-N 1 1 392.843 3.681 20 5 GHBDMO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000120704326 852261123 /nfs/dbraw/zinc/26/11/23/852261123.db2.gz ZSWDKJCXJDBAMR-UHFFFAOYSA-N 1 1 378.432 3.894 20 5 GHBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426002255 852373442 /nfs/dbraw/zinc/37/34/42/852373442.db2.gz ODJLBGVBFRXVJM-FUHWJXTLSA-N 1 1 392.459 3.650 20 5 GHBDMO CC(C)[N@H+]1CC[C@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000732568245 862361220 /nfs/dbraw/zinc/36/12/20/862361220.db2.gz MAWHLIZNARSNHJ-SNVBAGLBSA-N 1 1 376.335 3.664 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000505924747 852615762 /nfs/dbraw/zinc/61/57/62/852615762.db2.gz KHOWRJNRWQUKGV-MSOLQXFVSA-N 1 1 398.507 3.663 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000489871502 852639116 /nfs/dbraw/zinc/63/91/16/852639116.db2.gz JLHLUCZPQVBWDZ-ZDUSSCGKSA-N 1 1 398.385 3.606 20 5 GHBDMO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000518011441 852729993 /nfs/dbraw/zinc/72/99/93/852729993.db2.gz NKHUTXABHWMOIM-UHFFFAOYSA-N 1 1 397.216 3.617 20 5 GHBDMO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000518011441 852729997 /nfs/dbraw/zinc/72/99/97/852729997.db2.gz NKHUTXABHWMOIM-UHFFFAOYSA-N 1 1 397.216 3.617 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000507299451 852776658 /nfs/dbraw/zinc/77/66/58/852776658.db2.gz BONUNFQPALWKIG-UHFFFAOYSA-N 1 1 376.482 3.764 20 5 GHBDMO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506369349 852891315 /nfs/dbraw/zinc/89/13/15/852891315.db2.gz MNXFKFKFYJBVQJ-HXUWFJFHSA-N 1 1 378.432 3.569 20 5 GHBDMO Cn1cc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506369349 852891326 /nfs/dbraw/zinc/89/13/26/852891326.db2.gz MNXFKFKFYJBVQJ-HXUWFJFHSA-N 1 1 378.432 3.569 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000427373257 853017419 /nfs/dbraw/zinc/01/74/19/853017419.db2.gz WMTLGZJZXQYLEU-CYBMUJFWSA-N 1 1 380.404 3.589 20 5 GHBDMO Cc1c(CC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000490528880 853075395 /nfs/dbraw/zinc/07/53/95/853075395.db2.gz UGYNAWGPNPMCND-JOCHJYFZSA-N 1 1 381.476 3.617 20 5 GHBDMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000544262514 853217558 /nfs/dbraw/zinc/21/75/58/853217558.db2.gz LHOFFHCZVLOZSS-UHFFFAOYSA-N 1 1 397.262 3.624 20 5 GHBDMO C[C@H]1[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000490964655 853375524 /nfs/dbraw/zinc/37/55/24/853375524.db2.gz BVHNCRHRGUGZHE-QFBILLFUSA-N 1 1 396.491 3.792 20 5 GHBDMO COc1cc(C[NH2+]Cc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491017519 853399197 /nfs/dbraw/zinc/39/91/97/853399197.db2.gz FQMOVZNVIKEDGU-UHFFFAOYSA-N 1 1 388.317 3.815 20 5 GHBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029773280 853472788 /nfs/dbraw/zinc/47/27/88/853472788.db2.gz XBVMLIAOKPDGKY-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029773280 853472791 /nfs/dbraw/zinc/47/27/91/853472791.db2.gz XBVMLIAOKPDGKY-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439330370 853560815 /nfs/dbraw/zinc/56/08/15/853560815.db2.gz YMRUXVMOYUVXIL-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439330370 853560827 /nfs/dbraw/zinc/56/08/27/853560827.db2.gz YMRUXVMOYUVXIL-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO Cc1ccccc1[C@H](C(C)C)[N@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000732799617 862499018 /nfs/dbraw/zinc/49/90/18/862499018.db2.gz YISKRZHGSPRKHT-IBGZPJMESA-N 1 1 381.432 3.786 20 5 GHBDMO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000732799617 862499029 /nfs/dbraw/zinc/49/90/29/862499029.db2.gz YISKRZHGSPRKHT-IBGZPJMESA-N 1 1 381.432 3.786 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000120894354 854074100 /nfs/dbraw/zinc/07/41/00/854074100.db2.gz KHSCGZBNINWRNT-KDOFPFPSSA-N 1 1 389.477 3.755 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000120894354 854074110 /nfs/dbraw/zinc/07/41/10/854074110.db2.gz KHSCGZBNINWRNT-KDOFPFPSSA-N 1 1 389.477 3.755 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@]3(CO)CCOc4ccccc43)o2)c1 ZINC000441345798 854137401 /nfs/dbraw/zinc/13/74/01/854137401.db2.gz HYLSFBZLRJFKEO-OAQYLSRUSA-N 1 1 380.400 3.615 20 5 GHBDMO CC(C)Oc1ccc([C@@H](CNCc2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000588929767 854598511 /nfs/dbraw/zinc/59/85/11/854598511.db2.gz DFPXBSKJKZTVNW-HXUWFJFHSA-N 1 1 375.444 3.914 20 5 GHBDMO COc1ccc(C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)(C)C)cc1 ZINC000588985142 854629607 /nfs/dbraw/zinc/62/96/07/854629607.db2.gz VDYSDIZDKRNRMU-UHFFFAOYSA-N 1 1 397.475 3.793 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CCc2cccs2)CC1 ZINC000056530347 854779901 /nfs/dbraw/zinc/77/99/01/854779901.db2.gz POYQOEBHQQGABP-UHFFFAOYSA-N 1 1 394.884 3.702 20 5 GHBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCC[N@H+]3CC3CCCCC3)cc2N1 ZINC000553490932 855077537 /nfs/dbraw/zinc/07/75/37/855077537.db2.gz SGSWUQPCEUDJME-KRWDZBQOSA-N 1 1 386.496 3.936 20 5 GHBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000248405744 855277029 /nfs/dbraw/zinc/27/70/29/855277029.db2.gz RSXFUKJUHPLJIR-BQFCYCMXSA-N 1 1 388.512 3.916 20 5 GHBDMO C[C@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000465666042 855544882 /nfs/dbraw/zinc/54/48/82/855544882.db2.gz RGPPJRDXUZQEFR-MSOLQXFVSA-N 1 1 396.491 3.962 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1)[NH+]1CCOCC1 ZINC000542762624 855680013 /nfs/dbraw/zinc/68/00/13/855680013.db2.gz HAZISBXJZMJREI-ZDUSSCGKSA-N 1 1 388.399 3.771 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590972146 855681454 /nfs/dbraw/zinc/68/14/54/855681454.db2.gz KFBDTZUTVIAGMT-QUCCMNQESA-N 1 1 398.459 3.793 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCCC[C@@H]3O)n2)c1 ZINC000280991849 862781259 /nfs/dbraw/zinc/78/12/59/862781259.db2.gz LWUVWIAKONEVHA-KURKYZTESA-N 1 1 386.452 3.550 20 5 GHBDMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499439642 856331584 /nfs/dbraw/zinc/33/15/84/856331584.db2.gz XFBVQKPNXWZLID-MSOLQXFVSA-N 1 1 381.476 3.649 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccc4c(c3)OCCO4)cs2)c1 ZINC000172111946 856339278 /nfs/dbraw/zinc/33/92/78/856339278.db2.gz GEJOQQPPXMIIDI-UHFFFAOYSA-N 1 1 383.429 3.779 20 5 GHBDMO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1OC ZINC000254916375 862811885 /nfs/dbraw/zinc/81/18/85/862811885.db2.gz AOXUFDMEMUOXMV-NTMALXAHSA-N 1 1 383.448 3.967 20 5 GHBDMO CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1OC ZINC000254916375 862811897 /nfs/dbraw/zinc/81/18/97/862811897.db2.gz AOXUFDMEMUOXMV-NTMALXAHSA-N 1 1 383.448 3.967 20 5 GHBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172832798 856631136 /nfs/dbraw/zinc/63/11/36/856631136.db2.gz NRIXTFUUSKBOLT-HNNXBMFYSA-N 1 1 388.493 3.665 20 5 GHBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000058427145 856761098 /nfs/dbraw/zinc/76/10/98/856761098.db2.gz KJKCSIXYXAJZEH-UHFFFAOYSA-N 1 1 386.399 3.534 20 5 GHBDMO Cc1cc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000157672860 856847232 /nfs/dbraw/zinc/84/72/32/856847232.db2.gz HLVVGRJVCWTADI-INIZCTEOSA-N 1 1 388.512 3.602 20 5 GHBDMO COc1cc(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000592693966 857027261 /nfs/dbraw/zinc/02/72/61/857027261.db2.gz FPELEXVBKGHGCD-IBGZPJMESA-N 1 1 397.475 3.729 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001128960616 857100439 /nfs/dbraw/zinc/10/04/39/857100439.db2.gz BDFMILQLTDAQPH-MRXNPFEDSA-N 1 1 381.476 3.806 20 5 GHBDMO CC[C@](C)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173944043 857185278 /nfs/dbraw/zinc/18/52/78/857185278.db2.gz NZUSUIIUZOEAJX-INIZCTEOSA-N 1 1 382.873 3.867 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)c1 ZINC000593029843 857185347 /nfs/dbraw/zinc/18/53/47/857185347.db2.gz UOIVMCQENDVBNM-CYBMUJFWSA-N 1 1 388.420 3.558 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000174005383 857196418 /nfs/dbraw/zinc/19/64/18/857196418.db2.gz SHZAHEVDKCLEPJ-MGPUTAFESA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000174005383 857196424 /nfs/dbraw/zinc/19/64/24/857196424.db2.gz SHZAHEVDKCLEPJ-MGPUTAFESA-N 1 1 383.448 3.694 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](C[C@H]3CCCO3)[C@H]3CCSC3)co2)cc1 ZINC000245984529 857209910 /nfs/dbraw/zinc/20/99/10/857209910.db2.gz VYYXDYOOJJNXJN-ZWKOTPCHSA-N 1 1 389.477 3.736 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](C[C@H]3CCCO3)[C@H]3CCSC3)co2)cc1 ZINC000245984529 857209919 /nfs/dbraw/zinc/20/99/19/857209919.db2.gz VYYXDYOOJJNXJN-ZWKOTPCHSA-N 1 1 389.477 3.736 20 5 GHBDMO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248099 857234319 /nfs/dbraw/zinc/23/43/19/857234319.db2.gz JSPDWMAXVFBXPE-MRXNPFEDSA-N 1 1 383.448 3.774 20 5 GHBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)cc1 ZINC000174247596 857234694 /nfs/dbraw/zinc/23/46/94/857234694.db2.gz OLZXZLMVJVOSMP-UHFFFAOYSA-N 1 1 388.395 3.644 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000542972104 857260955 /nfs/dbraw/zinc/26/09/55/857260955.db2.gz ZDYXMMZUPLQHQU-CQSZACIVSA-N 1 1 385.420 3.518 20 5 GHBDMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246327427 857349201 /nfs/dbraw/zinc/34/92/01/857349201.db2.gz HRHOPULBMGMHIF-MSOLQXFVSA-N 1 1 388.512 3.510 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246327427 857349207 /nfs/dbraw/zinc/34/92/07/857349207.db2.gz HRHOPULBMGMHIF-MSOLQXFVSA-N 1 1 388.512 3.510 20 5 GHBDMO CCNC(=O)c1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000113322106 857429338 /nfs/dbraw/zinc/42/93/38/857429338.db2.gz NOFVJLSWHDVVCL-UHFFFAOYSA-N 1 1 396.472 3.758 20 5 GHBDMO Cc1[nH+]ccn1CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442023825 857445708 /nfs/dbraw/zinc/44/57/08/857445708.db2.gz KKMZDCFOKMJWBU-UHFFFAOYSA-N 1 1 382.445 3.681 20 5 GHBDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000301764888 857595428 /nfs/dbraw/zinc/59/54/28/857595428.db2.gz CTRXEIKUBYXLNT-MGPUTAFESA-N 1 1 383.496 3.739 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H]1CCOC1 ZINC000132112958 857702391 /nfs/dbraw/zinc/70/23/91/857702391.db2.gz HNMZTWPIAPKIQZ-LBPRGKRZSA-N 1 1 381.226 3.838 20 5 GHBDMO C[C@H](CCc1cccc(F)c1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000521287251 857827231 /nfs/dbraw/zinc/82/72/31/857827231.db2.gz OVBOQORDKXOULX-MRXNPFEDSA-N 1 1 385.439 3.513 20 5 GHBDMO C[C@@H](CCc1cccc(F)c1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000521287248 857827259 /nfs/dbraw/zinc/82/72/59/857827259.db2.gz OVBOQORDKXOULX-INIZCTEOSA-N 1 1 385.439 3.513 20 5 GHBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000132184254 857836042 /nfs/dbraw/zinc/83/60/42/857836042.db2.gz RJCABXQADCMTPH-HXUWFJFHSA-N 1 1 378.432 3.668 20 5 GHBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000486589005 857886880 /nfs/dbraw/zinc/88/68/80/857886880.db2.gz XUBZWBXLRVFNKA-GOSISDBHSA-N 1 1 396.491 3.669 20 5 GHBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312668968 857908022 /nfs/dbraw/zinc/90/80/22/857908022.db2.gz IREVGRJZKAKKLA-ZBFHGGJFSA-N 1 1 387.867 3.889 20 5 GHBDMO COc1cc(C[N@@H+](C[C@@H](C)O)C2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000078515884 858072312 /nfs/dbraw/zinc/07/23/12/858072312.db2.gz WMHBZAMTRQJCJL-GFCCVEGCSA-N 1 1 388.411 3.720 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001127162975 858174479 /nfs/dbraw/zinc/17/44/79/858174479.db2.gz RUZRWKLWBQDXAV-HUUCEWRRSA-N 1 1 387.867 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001127162975 858174487 /nfs/dbraw/zinc/17/44/87/858174487.db2.gz RUZRWKLWBQDXAV-HUUCEWRRSA-N 1 1 387.867 3.983 20 5 GHBDMO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033193 858375016 /nfs/dbraw/zinc/37/50/16/858375016.db2.gz BOPDKPOFZQWYIJ-GJZGRUSLSA-N 1 1 392.477 3.507 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000575202002 858602388 /nfs/dbraw/zinc/60/23/88/858602388.db2.gz KHDSNZPICHFNLA-RLLQIKCJSA-N 1 1 389.496 3.637 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593089007 858630315 /nfs/dbraw/zinc/63/03/15/858630315.db2.gz GZEKGLMTBIADCA-BRLLKYFNSA-N 1 1 399.466 3.549 20 5 GHBDMO COC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595684900 858634755 /nfs/dbraw/zinc/63/47/55/858634755.db2.gz RXIULVXNBZDNAX-MRXNPFEDSA-N 1 1 395.253 3.843 20 5 GHBDMO C[C@H]1C[C@H](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000593103740 858644694 /nfs/dbraw/zinc/64/46/94/858644694.db2.gz NNODLLUYEQWBRX-WMZOPIPTSA-N 1 1 399.466 3.693 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000595766970 858664219 /nfs/dbraw/zinc/66/42/19/858664219.db2.gz NVSNSJQYPHLKSB-OAQYLSRUSA-N 1 1 383.448 3.514 20 5 GHBDMO COc1cccc([C@]2(C)CC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000595766970 858664221 /nfs/dbraw/zinc/66/42/21/858664221.db2.gz NVSNSJQYPHLKSB-OAQYLSRUSA-N 1 1 383.448 3.514 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595789325 858688081 /nfs/dbraw/zinc/68/80/81/858688081.db2.gz LYCWRSNFXPJBKU-HFTRVMKXSA-N 1 1 386.452 3.987 20 5 GHBDMO COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)s1 ZINC000595921081 858735341 /nfs/dbraw/zinc/73/53/41/858735341.db2.gz SSDRALNVKKNXFX-CHWSQXEVSA-N 1 1 375.450 3.779 20 5 GHBDMO COC(=O)c1c(Cl)c(N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000596175823 858814073 /nfs/dbraw/zinc/81/40/73/858814073.db2.gz VCJJNVFPBVLMTH-CQSZACIVSA-N 1 1 375.812 3.633 20 5 GHBDMO COC(=O)c1c(Cl)c(N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000596175823 858814083 /nfs/dbraw/zinc/81/40/83/858814083.db2.gz VCJJNVFPBVLMTH-CQSZACIVSA-N 1 1 375.812 3.633 20 5 GHBDMO Cc1cccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000543205942 858858632 /nfs/dbraw/zinc/85/86/32/858858632.db2.gz DWSYNUBYWXKMRS-HXUWFJFHSA-N 1 1 388.489 3.822 20 5 GHBDMO Cc1cccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000543205942 858858645 /nfs/dbraw/zinc/85/86/45/858858645.db2.gz DWSYNUBYWXKMRS-HXUWFJFHSA-N 1 1 388.489 3.822 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000160396554 858867700 /nfs/dbraw/zinc/86/77/00/858867700.db2.gz QCAGXWYBXBLCOF-INIZCTEOSA-N 1 1 389.477 3.867 20 5 GHBDMO Cc1c(NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000596636814 858990560 /nfs/dbraw/zinc/99/05/60/858990560.db2.gz VQDHLAJMGIAXMR-GOSISDBHSA-N 1 1 382.464 3.684 20 5 GHBDMO O=[N+]([O-])c1cnc2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn21 ZINC001170332902 881376446 /nfs/dbraw/zinc/37/64/46/881376446.db2.gz IZDIVYLCUIZGOX-LDLYASANSA-N 1 1 377.448 3.850 20 5 GHBDMO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552961 881379311 /nfs/dbraw/zinc/37/93/11/881379311.db2.gz IZWMEJULVIYVLB-PVHVJQTOSA-N 1 1 396.491 3.608 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552961 881379333 /nfs/dbraw/zinc/37/93/33/881379333.db2.gz IZWMEJULVIYVLB-PVHVJQTOSA-N 1 1 396.491 3.608 20 5 GHBDMO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170354483 881395083 /nfs/dbraw/zinc/39/50/83/881395083.db2.gz LZBHPLXBYPQAIP-OAHLLOKOSA-N 1 1 395.500 3.723 20 5 GHBDMO CCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249294386 859293419 /nfs/dbraw/zinc/29/34/19/859293419.db2.gz LSDUCRPULBNRAT-UTKZUKDTSA-N 1 1 396.491 3.962 20 5 GHBDMO C[N@H+](CCOc1ccccc1C(C)(C)C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000483319129 859295710 /nfs/dbraw/zinc/29/57/10/859295710.db2.gz AAIMTOZFSQWNFH-UHFFFAOYSA-N 1 1 385.464 3.502 20 5 GHBDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000483319129 859295718 /nfs/dbraw/zinc/29/57/18/859295718.db2.gz AAIMTOZFSQWNFH-UHFFFAOYSA-N 1 1 385.464 3.502 20 5 GHBDMO C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185129005 859487057 /nfs/dbraw/zinc/48/70/57/859487057.db2.gz WFPXCEGUNKYHMY-UKRRQHHQSA-N 1 1 394.903 3.700 20 5 GHBDMO COc1c(C)c[nH+]c(CN2CCC(N(C)c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000301973862 859594030 /nfs/dbraw/zinc/59/40/30/859594030.db2.gz BBJHEXQYJIPNDF-UHFFFAOYSA-N 1 1 384.480 3.716 20 5 GHBDMO COc1cccc([C@H](C)[NH+]2CCN(c3cc(OC)c([N+](=O)[O-])cc3F)CC2)c1 ZINC000301970325 859594508 /nfs/dbraw/zinc/59/45/08/859594508.db2.gz RGPOHKAJEPKUGG-AWEZNQCLSA-N 1 1 389.427 3.634 20 5 GHBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000611214135 859647353 /nfs/dbraw/zinc/64/73/53/859647353.db2.gz VIAZJTCGGSCTQJ-MRXNPFEDSA-N 1 1 389.521 3.938 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611236042 859657880 /nfs/dbraw/zinc/65/78/80/859657880.db2.gz NNRUAXMGLRUZIS-JKSUJKDBSA-N 1 1 380.448 3.831 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552055519 859677225 /nfs/dbraw/zinc/67/72/25/859677225.db2.gz RRZMNYOEFUDWLV-XUJQIHCRSA-N 1 1 386.496 3.991 20 5 GHBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611299589 859691191 /nfs/dbraw/zinc/69/11/91/859691191.db2.gz KAAQIFXPIMQBDR-UONOGXRCSA-N 1 1 377.510 3.794 20 5 GHBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611299589 859691195 /nfs/dbraw/zinc/69/11/95/859691195.db2.gz KAAQIFXPIMQBDR-UONOGXRCSA-N 1 1 377.510 3.794 20 5 GHBDMO COc1ccc(C[C@H](C)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170344553 881452708 /nfs/dbraw/zinc/45/27/08/881452708.db2.gz BXVUMZFHYYKKOU-DZFGPLHGSA-N 1 1 395.503 3.598 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765033061 859741148 /nfs/dbraw/zinc/74/11/48/859741148.db2.gz OBAMMEWKOJLUIC-QRWLVFNGSA-N 1 1 375.469 3.989 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1c1ccc(C(F)(F)F)cc1 ZINC000611498053 859785689 /nfs/dbraw/zinc/78/56/89/859785689.db2.gz QNJSGWVLDVWNFV-MRXNPFEDSA-N 1 1 397.328 3.648 20 5 GHBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000765238469 859859948 /nfs/dbraw/zinc/85/99/48/859859948.db2.gz DEYBMNPOMOQFNS-WLVHGYOUSA-N 1 1 379.460 3.635 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000123661473 860028961 /nfs/dbraw/zinc/02/89/61/860028961.db2.gz XLKCPJSCMWKSKI-IYBDPMFKSA-N 1 1 384.480 3.631 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000123710026 860048573 /nfs/dbraw/zinc/04/85/73/860048573.db2.gz MEJAJNNBDUMVPQ-HNNXBMFYSA-N 1 1 397.353 3.774 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC1CC[NH+](Cc2ccncc2)CC1 ZINC000602522469 860074606 /nfs/dbraw/zinc/07/46/06/860074606.db2.gz VPWQOSXQSDJOPR-UHFFFAOYSA-N 1 1 394.397 3.763 20 5 GHBDMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000092588879 860083017 /nfs/dbraw/zinc/08/30/17/860083017.db2.gz BOVLVMATCHNJBY-MRXNPFEDSA-N 1 1 387.411 3.756 20 5 GHBDMO C[C@H]1CC2(C[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1)CCOCC2 ZINC000602701104 860219273 /nfs/dbraw/zinc/21/92/73/860219273.db2.gz AJYNQXUJYXYDGQ-JTQLQIEISA-N 1 1 375.288 3.810 20 5 GHBDMO C[C@H]1CC2(C[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1)CCOCC2 ZINC000602701104 860219280 /nfs/dbraw/zinc/21/92/80/860219280.db2.gz AJYNQXUJYXYDGQ-JTQLQIEISA-N 1 1 375.288 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnc(-c4cccs4)s3)C2)nc1 ZINC000093534550 860297908 /nfs/dbraw/zinc/29/79/08/860297908.db2.gz KSHQMBZDMLWVCC-GFCCVEGCSA-N 1 1 387.490 3.861 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnc(-c4cccs4)s3)C2)nc1 ZINC000093534550 860297917 /nfs/dbraw/zinc/29/79/17/860297917.db2.gz KSHQMBZDMLWVCC-GFCCVEGCSA-N 1 1 387.490 3.861 20 5 GHBDMO CC(C)NC(=O)c1ccc(NCCC[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000025497645 860325853 /nfs/dbraw/zinc/32/58/53/860325853.db2.gz CZNMQJOEMDEQBI-UHFFFAOYSA-N 1 1 396.491 3.593 20 5 GHBDMO Cc1nsc(N2CCC[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000093716935 860336469 /nfs/dbraw/zinc/33/64/69/860336469.db2.gz TUCDJKVAQZSKSH-UHFFFAOYSA-N 1 1 375.498 3.590 20 5 GHBDMO Cc1nsc(N2CCC[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000093716935 860336479 /nfs/dbraw/zinc/33/64/79/860336479.db2.gz TUCDJKVAQZSKSH-UHFFFAOYSA-N 1 1 375.498 3.590 20 5 GHBDMO C[C@H]1C[C@@H](N(C)c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000301359887 860460720 /nfs/dbraw/zinc/46/07/20/860460720.db2.gz LWHOIKYSOFCTQP-HOCLYGCPSA-N 1 1 385.493 3.793 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1-c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000904513931 860484905 /nfs/dbraw/zinc/48/49/05/860484905.db2.gz YZSJHNWKAFBGKH-UHFFFAOYSA-N 1 1 394.431 3.761 20 5 GHBDMO Cc1c(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000025536589 860535097 /nfs/dbraw/zinc/53/50/97/860535097.db2.gz PEABULHFMAICTP-NRFANRHFSA-N 1 1 381.476 3.716 20 5 GHBDMO Cn1cc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000896226713 860554829 /nfs/dbraw/zinc/55/48/29/860554829.db2.gz HZDBVZSJLIXQRR-INIZCTEOSA-N 1 1 398.360 3.862 20 5 GHBDMO CCOc1ccccc1NC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155732875 860589468 /nfs/dbraw/zinc/58/94/68/860589468.db2.gz GCEOKBSBXCKDOU-UHFFFAOYSA-N 1 1 383.448 3.987 20 5 GHBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)N1CCCC1 ZINC000537629141 881564074 /nfs/dbraw/zinc/56/40/74/881564074.db2.gz VUSZIMJUGFBREZ-QGZVFWFLSA-N 1 1 383.448 3.689 20 5 GHBDMO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761293239 860674812 /nfs/dbraw/zinc/67/48/12/860674812.db2.gz UOCKXJVNEHYURN-OAHLLOKOSA-N 1 1 396.447 3.522 20 5 GHBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc4cnccc4c3[N+](=O)[O-])c2)CCO1 ZINC000599026741 860735591 /nfs/dbraw/zinc/73/55/91/860735591.db2.gz FKMNAKZQJFACLU-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc4cnccc4c3[N+](=O)[O-])c2)CCO1 ZINC000599026741 860735599 /nfs/dbraw/zinc/73/55/99/860735599.db2.gz FKMNAKZQJFACLU-INIZCTEOSA-N 1 1 392.459 3.976 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCN1C1CCC1 ZINC000599019536 860742544 /nfs/dbraw/zinc/74/25/44/860742544.db2.gz GNGGBFAHPGGGSL-QGZVFWFLSA-N 1 1 389.839 3.751 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000474779503 860763605 /nfs/dbraw/zinc/76/36/05/860763605.db2.gz JAGYRNGQHTUEIN-WFASDCNBSA-N 1 1 391.269 4.000 20 5 GHBDMO Cc1ccc(C(C)(C)C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000599070194 860776557 /nfs/dbraw/zinc/77/65/57/860776557.db2.gz WXRDFYBDECMFEN-IBGZPJMESA-N 1 1 379.464 3.689 20 5 GHBDMO COc1cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)c([N+](=O)[O-])cc1O ZINC000593674143 860786502 /nfs/dbraw/zinc/78/65/02/860786502.db2.gz OOZYTGZIKVMGJF-CQSZACIVSA-N 1 1 376.384 3.840 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000603664239 861016446 /nfs/dbraw/zinc/01/64/46/861016446.db2.gz VRCSCFHWYLGJFR-KRWDZBQOSA-N 1 1 397.475 3.664 20 5 GHBDMO CNc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000603667779 861022092 /nfs/dbraw/zinc/02/20/92/861022092.db2.gz KCJFIZJYNJNGJH-INIZCTEOSA-N 1 1 396.491 3.798 20 5 GHBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609193889 881617843 /nfs/dbraw/zinc/61/78/43/881617843.db2.gz WSNZWGIQWNJRCQ-IRXDYDNUSA-N 1 1 391.512 3.899 20 5 GHBDMO Cc1cc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302040288 861183458 /nfs/dbraw/zinc/18/34/58/861183458.db2.gz WCCQJAGCIYEHTM-CALCHBBNSA-N 1 1 398.507 3.777 20 5 GHBDMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000414487765 863100006 /nfs/dbraw/zinc/10/00/06/863100006.db2.gz VWPNQBGKAZXEGD-UHFFFAOYSA-N 1 1 382.869 3.640 20 5 GHBDMO CCn1ccc(C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000414489345 863117371 /nfs/dbraw/zinc/11/73/71/863117371.db2.gz YNXJRCLSGBZNGX-UHFFFAOYSA-N 1 1 396.447 3.689 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+](CCc3cccc(F)c3)C3CC3)n2)cc1 ZINC000733789489 863166351 /nfs/dbraw/zinc/16/63/51/863166351.db2.gz UFHRNQVQJLQCNN-UHFFFAOYSA-N 1 1 381.411 3.657 20 5 GHBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444027248 863167950 /nfs/dbraw/zinc/16/79/50/863167950.db2.gz BPBONQSWDQMIPL-KRWDZBQOSA-N 1 1 377.488 3.676 20 5 GHBDMO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444283049 863816442 /nfs/dbraw/zinc/81/64/42/863816442.db2.gz CYZPZKKNGRQRQG-NZQKXSOJSA-N 1 1 397.478 3.509 20 5 GHBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444283049 863816451 /nfs/dbraw/zinc/81/64/51/863816451.db2.gz CYZPZKKNGRQRQG-NZQKXSOJSA-N 1 1 397.478 3.509 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000554279350 864033027 /nfs/dbraw/zinc/03/30/27/864033027.db2.gz JJPPXVDGHYRUTD-MSOLQXFVSA-N 1 1 399.491 3.718 20 5 GHBDMO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc2ccccc2s1 ZINC000734158399 864036708 /nfs/dbraw/zinc/03/67/08/864036708.db2.gz HMYSRWMDOQRTNW-LRDDRELGSA-N 1 1 382.445 3.661 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1F ZINC000063109615 864191449 /nfs/dbraw/zinc/19/14/49/864191449.db2.gz HVDSEQXNDLBHQH-UHFFFAOYSA-N 1 1 393.378 3.639 20 5 GHBDMO COc1cc(C[NH2+][C@H]2CCCc3cccnc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000897075807 864397551 /nfs/dbraw/zinc/39/75/51/864397551.db2.gz RQHVJTZKIFGYFZ-AWEZNQCLSA-N 1 1 393.390 3.810 20 5 GHBDMO COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000792876475 881764569 /nfs/dbraw/zinc/76/45/69/881764569.db2.gz NHCFACCPCJWRHE-QGZVFWFLSA-N 1 1 387.392 3.533 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734835094 864470110 /nfs/dbraw/zinc/47/01/10/864470110.db2.gz KZDSDVXRVHDUJB-ZDUSSCGKSA-N 1 1 383.876 3.985 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734835094 864470114 /nfs/dbraw/zinc/47/01/14/864470114.db2.gz KZDSDVXRVHDUJB-ZDUSSCGKSA-N 1 1 383.876 3.985 20 5 GHBDMO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(Br)cc1O ZINC000480484267 864711448 /nfs/dbraw/zinc/71/14/48/864711448.db2.gz SVFNWSLBEFVHHA-UHFFFAOYSA-N 1 1 381.226 3.670 20 5 GHBDMO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000063463847 864801417 /nfs/dbraw/zinc/80/14/17/864801417.db2.gz CZPWJCCGONHMNA-PKOBYXMFSA-N 1 1 396.491 3.867 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCCC1CCOCC1)CC2 ZINC000792916301 881810566 /nfs/dbraw/zinc/81/05/66/881810566.db2.gz XMKNTLBKDXMXAH-UHFFFAOYSA-N 1 1 383.286 3.922 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCCC1CCOCC1)CC2 ZINC000792916301 881810582 /nfs/dbraw/zinc/81/05/82/881810582.db2.gz XMKNTLBKDXMXAH-UHFFFAOYSA-N 1 1 383.286 3.922 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)ccc2c1 ZINC000301076075 865139234 /nfs/dbraw/zinc/13/92/34/865139234.db2.gz JAPHGPVFLDRFDJ-UHFFFAOYSA-N 1 1 380.423 3.994 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594197513 865337730 /nfs/dbraw/zinc/33/77/30/865337730.db2.gz OWBYDAMUASLMOL-SJORKVTESA-N 1 1 377.510 3.844 20 5 GHBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000063865859 865503592 /nfs/dbraw/zinc/50/35/92/865503592.db2.gz GLTOOPUATATAIK-INIZCTEOSA-N 1 1 383.448 3.849 20 5 GHBDMO O=[N+]([O-])c1cnccc1NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000608972705 865867143 /nfs/dbraw/zinc/86/71/43/865867143.db2.gz KUTNRDULZQWVRB-UHFFFAOYSA-N 1 1 380.370 3.507 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000534018934 865985211 /nfs/dbraw/zinc/98/52/11/865985211.db2.gz MISHWORJUGJKEJ-WBVHZDCISA-N 1 1 393.365 3.789 20 5 GHBDMO CSc1cccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000186512009 866047320 /nfs/dbraw/zinc/04/73/20/866047320.db2.gz PBEMYYKGYYDUKD-MRXNPFEDSA-N 1 1 385.489 3.711 20 5 GHBDMO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740884333 866073909 /nfs/dbraw/zinc/07/39/09/866073909.db2.gz VKVIKYQSIYZNMW-WFASDCNBSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740884333 866073925 /nfs/dbraw/zinc/07/39/25/866073925.db2.gz VKVIKYQSIYZNMW-WFASDCNBSA-N 1 1 383.876 3.983 20 5 GHBDMO Cc1cccc(C[NH+]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000534076279 866098217 /nfs/dbraw/zinc/09/82/17/866098217.db2.gz QNQVOHQTTAQCAH-UHFFFAOYSA-N 1 1 392.459 3.876 20 5 GHBDMO COc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000456351406 866472824 /nfs/dbraw/zinc/47/28/24/866472824.db2.gz WWNUKANFDHELQQ-INIZCTEOSA-N 1 1 397.475 3.506 20 5 GHBDMO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000594489923 866782472 /nfs/dbraw/zinc/78/24/72/866782472.db2.gz HUPRYBACTCZTAK-DRSNIGMVSA-N 1 1 395.503 3.981 20 5 GHBDMO COc1cc(CNc2[nH+]ccn2Cc2ccccc2Cl)cc([N+](=O)[O-])c1O ZINC000508502257 866911953 /nfs/dbraw/zinc/91/19/53/866911953.db2.gz CGZRAWMBTFPUQH-UHFFFAOYSA-N 1 1 388.811 3.819 20 5 GHBDMO Cc1ccccc1C1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742147831 867080858 /nfs/dbraw/zinc/08/08/58/867080858.db2.gz OKAUUSKFQLFGGZ-UHFFFAOYSA-N 1 1 377.448 3.999 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742197359 867127815 /nfs/dbraw/zinc/12/78/15/867127815.db2.gz RDLNYTYFFHUYKW-CYBMUJFWSA-N 1 1 389.839 3.817 20 5 GHBDMO C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742197359 867127825 /nfs/dbraw/zinc/12/78/25/867127825.db2.gz RDLNYTYFFHUYKW-CYBMUJFWSA-N 1 1 389.839 3.817 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000457093392 867650558 /nfs/dbraw/zinc/65/05/58/867650558.db2.gz ODDUCXMBOQNPJI-GOSISDBHSA-N 1 1 397.475 3.729 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534983386 867896804 /nfs/dbraw/zinc/89/68/04/867896804.db2.gz YIXBSBDZYACJDQ-INIZCTEOSA-N 1 1 392.459 3.813 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000743459409 868203664 /nfs/dbraw/zinc/20/36/64/868203664.db2.gz BGVKWQXGXUOCEY-GOSISDBHSA-N 1 1 379.464 3.591 20 5 GHBDMO C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000445343030 868290951 /nfs/dbraw/zinc/29/09/51/868290951.db2.gz QAVLBCADFZAKKT-MRXNPFEDSA-N 1 1 379.460 3.603 20 5 GHBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000744743455 869062934 /nfs/dbraw/zinc/06/29/34/869062934.db2.gz VFJKONISEQHWNI-ITHMCKDVSA-N 1 1 395.459 3.967 20 5 GHBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000440934753 869318972 /nfs/dbraw/zinc/31/89/72/869318972.db2.gz UKNCWJDUFGGRJX-QAPCUYQASA-N 1 1 394.475 3.562 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000152855591 869483202 /nfs/dbraw/zinc/48/32/02/869483202.db2.gz CLDXZEYIYQMEQO-SFHVURJKSA-N 1 1 381.476 3.650 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1[N+](=O)[O-] ZINC000446208008 869545543 /nfs/dbraw/zinc/54/55/43/869545543.db2.gz WBZGGWOFFGTPFD-MRXNPFEDSA-N 1 1 398.463 3.921 20 5 GHBDMO C[N@@H+]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000524837903 869641423 /nfs/dbraw/zinc/64/14/23/869641423.db2.gz VPEOKUIGDQXMOU-NRFANRHFSA-N 1 1 396.491 3.616 20 5 GHBDMO C[N@H+]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000524837903 869641429 /nfs/dbraw/zinc/64/14/29/869641429.db2.gz VPEOKUIGDQXMOU-NRFANRHFSA-N 1 1 396.491 3.616 20 5 GHBDMO Cc1n[nH]cc1C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000793610336 882328501 /nfs/dbraw/zinc/32/85/01/882328501.db2.gz UETYQYPMUJBICC-UHFFFAOYSA-N 1 1 379.258 3.768 20 5 GHBDMO COc1cc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)c(SC)cc1OC ZINC000524971985 869856141 /nfs/dbraw/zinc/85/61/41/869856141.db2.gz GSKTWTMGQLYORT-UHFFFAOYSA-N 1 1 392.477 3.845 20 5 GHBDMO CC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)[N@H+]1CCc2ccccc2C1 ZINC000446496980 869933184 /nfs/dbraw/zinc/93/31/84/869933184.db2.gz WAGXLRQBRHYHOX-SFHVURJKSA-N 1 1 382.464 3.862 20 5 GHBDMO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000441073514 870171096 /nfs/dbraw/zinc/17/10/96/870171096.db2.gz SGHAGORZAYEYNH-VGOFRKELSA-N 1 1 376.460 3.870 20 5 GHBDMO CCOc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000441077857 870245204 /nfs/dbraw/zinc/24/52/04/870245204.db2.gz HUGXDJHDHVPOSD-UHFFFAOYSA-N 1 1 383.448 3.689 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461471065 870256399 /nfs/dbraw/zinc/25/63/99/870256399.db2.gz MJFLDMLBBHXFQF-GOSISDBHSA-N 1 1 399.466 3.695 20 5 GHBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000462876074 870273992 /nfs/dbraw/zinc/27/39/92/870273992.db2.gz IYOUMQBBTCKKKH-VLCRHTCISA-N 1 1 395.503 3.985 20 5 GHBDMO CC[C@@H]1C[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[C@@H]1c1ccccc1 ZINC000746380283 870586186 /nfs/dbraw/zinc/58/61/86/870586186.db2.gz CMZSLRHJOBPPES-QAPCUYQASA-N 1 1 393.443 3.664 20 5 GHBDMO CC[C@@H]1C[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[C@@H]1c1ccccc1 ZINC000746380283 870586206 /nfs/dbraw/zinc/58/62/06/870586206.db2.gz CMZSLRHJOBPPES-QAPCUYQASA-N 1 1 393.443 3.664 20 5 GHBDMO CNc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000462996609 870617749 /nfs/dbraw/zinc/61/77/49/870617749.db2.gz RPLRAIKCBSGJIH-AYHJJNSGSA-N 1 1 394.475 3.562 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)o1 ZINC000463013727 870667157 /nfs/dbraw/zinc/66/71/57/870667157.db2.gz TYLCMFJPJXJUIH-JOCHJYFZSA-N 1 1 378.428 3.991 20 5 GHBDMO Cc1cc(F)cc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c1[N+](=O)[O-] ZINC000804271715 870693276 /nfs/dbraw/zinc/69/32/76/870693276.db2.gz UQMOFHSQYHGWCH-SFHVURJKSA-N 1 1 397.406 3.896 20 5 GHBDMO CC(C)(C)OC(=O)Nc1cccc2c1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169046264 871127846 /nfs/dbraw/zinc/12/78/46/871127846.db2.gz KCYBFQROSMOUQZ-ZBFHGGJFSA-N 1 1 375.469 3.837 20 5 GHBDMO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169055834 871137688 /nfs/dbraw/zinc/13/76/88/871137688.db2.gz QTZYKEKAMWCYFN-TZIWHRDSSA-N 1 1 382.460 3.921 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)c1ncccc1C(N)=O ZINC001193615055 871190884 /nfs/dbraw/zinc/19/08/84/871190884.db2.gz CELYRXCPJOLAQJ-UHFFFAOYSA-N 1 1 399.454 3.509 20 5 GHBDMO COc1ccc(OCC[N@@H+](C)Cc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000441236564 871356867 /nfs/dbraw/zinc/35/68/67/871356867.db2.gz UTZAFMFSGKBVTO-UHFFFAOYSA-N 1 1 395.253 3.877 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181828867 871525282 /nfs/dbraw/zinc/52/52/82/871525282.db2.gz KBRDWXNTSMLAOB-LJQANCHMSA-N 1 1 399.447 3.514 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000121348972 871535787 /nfs/dbraw/zinc/53/57/87/871535787.db2.gz AJUILKIDZZNBOW-RDJZCZTQSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000121348972 871535801 /nfs/dbraw/zinc/53/58/01/871535801.db2.gz AJUILKIDZZNBOW-RDJZCZTQSA-N 1 1 377.803 3.563 20 5 GHBDMO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000447401514 871538457 /nfs/dbraw/zinc/53/84/57/871538457.db2.gz ZKNZRLRFTPTCBH-QGZVFWFLSA-N 1 1 392.459 3.733 20 5 GHBDMO Cc1ccc(C[N@@H+](CCO)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000181960033 871667906 /nfs/dbraw/zinc/66/79/06/871667906.db2.gz HUZUJZZTCGFCTO-UHFFFAOYSA-N 1 1 381.432 3.595 20 5 GHBDMO O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000540613646 871722291 /nfs/dbraw/zinc/72/22/91/871722291.db2.gz FXKFRLDVXILYSJ-LJQANCHMSA-N 1 1 395.484 3.674 20 5 GHBDMO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001169832957 871902376 /nfs/dbraw/zinc/90/23/76/871902376.db2.gz JQMZJSQKSTXHJW-PMACEKPBSA-N 1 1 384.432 3.742 20 5 GHBDMO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001169832957 871902385 /nfs/dbraw/zinc/90/23/85/871902385.db2.gz JQMZJSQKSTXHJW-PMACEKPBSA-N 1 1 384.432 3.742 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000462233740 871907718 /nfs/dbraw/zinc/90/77/18/871907718.db2.gz RBXJEXDQAAXBNZ-FZKQIMNGSA-N 1 1 388.855 3.890 20 5 GHBDMO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC000552045369 871930663 /nfs/dbraw/zinc/93/06/63/871930663.db2.gz FIJTUQHNXQLAMH-IPMKNSEASA-N 1 1 386.496 3.991 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+]CCCNc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000552066227 871970705 /nfs/dbraw/zinc/97/07/05/871970705.db2.gz ALXPNXYRRKOBHB-IBGZPJMESA-N 1 1 383.427 3.649 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001194899406 872019104 /nfs/dbraw/zinc/01/91/04/872019104.db2.gz RIZRFUDDSVSXSV-ZBFHGGJFSA-N 1 1 393.484 3.586 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)c1ccccc1 ZINC000182214706 872042208 /nfs/dbraw/zinc/04/22/08/872042208.db2.gz MSJLDRFFMWRAAN-OAHLLOKOSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)c1ccccc1 ZINC000182214706 872042230 /nfs/dbraw/zinc/04/22/30/872042230.db2.gz MSJLDRFFMWRAAN-OAHLLOKOSA-N 1 1 387.867 3.890 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475712368 882578776 /nfs/dbraw/zinc/57/87/76/882578776.db2.gz YDFDJTBRJBJTLR-QFBILLFUSA-N 1 1 398.459 3.600 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000540771842 872123593 /nfs/dbraw/zinc/12/35/93/872123593.db2.gz IRLBITGZTUMGSW-INIZCTEOSA-N 1 1 377.510 3.796 20 5 GHBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000478014235 872319157 /nfs/dbraw/zinc/31/91/57/872319157.db2.gz GBHQDBYNOGRAFF-QZTJIDSGSA-N 1 1 375.469 3.511 20 5 GHBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000540864888 872350470 /nfs/dbraw/zinc/35/04/70/872350470.db2.gz WQUZOOMBZBIMSE-KRWDZBQOSA-N 1 1 393.447 3.638 20 5 GHBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000619489811 872686410 /nfs/dbraw/zinc/68/64/10/872686410.db2.gz PCBIAPRKLJTUIM-CEXWTWQISA-N 1 1 383.496 3.832 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000463973142 872998798 /nfs/dbraw/zinc/99/87/98/872998798.db2.gz SFTDFNLCLRCWQX-UHFFFAOYSA-N 1 1 382.464 3.782 20 5 GHBDMO CCC[N@@H+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000552672823 873009761 /nfs/dbraw/zinc/00/97/61/873009761.db2.gz ZOHJKYJZWVEKNB-LJQANCHMSA-N 1 1 389.883 3.990 20 5 GHBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)sc2C1 ZINC000541459777 873604066 /nfs/dbraw/zinc/60/40/66/873604066.db2.gz JXIGMMJXDAPOAW-UHFFFAOYSA-N 1 1 385.449 3.551 20 5 GHBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)sc2C1 ZINC000541459777 873604072 /nfs/dbraw/zinc/60/40/72/873604072.db2.gz JXIGMMJXDAPOAW-UHFFFAOYSA-N 1 1 385.449 3.551 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](c3c(F)cccc3F)C1)OCCO2 ZINC000769558684 874158527 /nfs/dbraw/zinc/15/85/27/874158527.db2.gz HCEDPLZWOOPRFM-GFCCVEGCSA-N 1 1 376.359 3.634 20 5 GHBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](c3c(F)cccc3F)C1)OCCO2 ZINC000769558684 874158538 /nfs/dbraw/zinc/15/85/38/874158538.db2.gz HCEDPLZWOOPRFM-GFCCVEGCSA-N 1 1 376.359 3.634 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCC[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001198183842 874248752 /nfs/dbraw/zinc/24/87/52/874248752.db2.gz JQARODWZUJGENV-UZLBHIALSA-N 1 1 375.469 3.864 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCC[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001198183842 874248758 /nfs/dbraw/zinc/24/87/58/874248758.db2.gz JQARODWZUJGENV-UZLBHIALSA-N 1 1 375.469 3.864 20 5 GHBDMO O=C1[C@H]([N@H+]2CC[C@@H](CSc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000464766665 874458761 /nfs/dbraw/zinc/45/87/61/874458761.db2.gz UWVXULBHFXBKOO-OXQOHEQNSA-N 1 1 397.500 3.814 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1Br ZINC000770374966 874616285 /nfs/dbraw/zinc/61/62/85/874616285.db2.gz OYSRHYGPHPMVKF-YOEHRIQHSA-N 1 1 394.313 3.806 20 5 GHBDMO O=C(CSc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000542213610 875164752 /nfs/dbraw/zinc/16/47/52/875164752.db2.gz NCPYIKXHJWFPHI-MRXNPFEDSA-N 1 1 383.473 3.698 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000494712030 882946016 /nfs/dbraw/zinc/94/60/16/882946016.db2.gz RBVNUTSKGADIJM-AWEZNQCLSA-N 1 1 386.395 3.596 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000494712030 882946041 /nfs/dbraw/zinc/94/60/41/882946041.db2.gz RBVNUTSKGADIJM-AWEZNQCLSA-N 1 1 386.395 3.596 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491382580 875662002 /nfs/dbraw/zinc/66/20/02/875662002.db2.gz QURHIRZSXSPDME-SJLPKXTDSA-N 1 1 382.464 3.935 20 5 GHBDMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000494717260 883008778 /nfs/dbraw/zinc/00/87/78/883008778.db2.gz CBSWPSLMFDWTCT-TZMCWYRMSA-N 1 1 387.436 3.557 20 5 GHBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000785963325 876368558 /nfs/dbraw/zinc/36/85/58/876368558.db2.gz UXSNBYNFPYXYEW-HNNXBMFYSA-N 1 1 398.246 3.817 20 5 GHBDMO CC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450424347 876388922 /nfs/dbraw/zinc/38/89/22/876388922.db2.gz QMNMQXODPWFMNW-GDBMZVCRSA-N 1 1 379.823 3.733 20 5 GHBDMO CC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450424347 876388936 /nfs/dbraw/zinc/38/89/36/876388936.db2.gz QMNMQXODPWFMNW-GDBMZVCRSA-N 1 1 379.823 3.733 20 5 GHBDMO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000858325449 883028043 /nfs/dbraw/zinc/02/80/43/883028043.db2.gz BDZROTRBUSYMSZ-GFCCVEGCSA-N 1 1 393.827 3.538 20 5 GHBDMO CCOc1cc(CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000492353024 876671515 /nfs/dbraw/zinc/67/15/15/876671515.db2.gz BYXCFIPLKUFADM-MRXNPFEDSA-N 1 1 385.464 3.999 20 5 GHBDMO C[C@H]1C[NH+](Cc2cccc(Nc3ncc([N+](=O)[O-])cc3Cl)c2)C[C@H](C)O1 ZINC000609964480 877223692 /nfs/dbraw/zinc/22/36/92/877223692.db2.gz LVFREIIHVORWMG-STQMWFEESA-N 1 1 376.844 3.996 20 5 GHBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)c2)C[C@H](C)O1 ZINC000609974836 877235025 /nfs/dbraw/zinc/23/50/25/877235025.db2.gz BFRJCQYEJJHYPW-KBPBESRZSA-N 1 1 387.411 3.595 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000609975201 877235643 /nfs/dbraw/zinc/23/56/43/877235643.db2.gz ISPMAXWJPBJVQW-HOTGVXAUSA-N 1 1 383.448 3.765 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000609977934 877239192 /nfs/dbraw/zinc/23/91/92/877239192.db2.gz HYCVIDMCNOSBNF-HNAYVOBHSA-N 1 1 385.439 3.859 20 5 GHBDMO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492655671 877259990 /nfs/dbraw/zinc/25/99/90/877259990.db2.gz PMVHTWZUOMZISB-LJQANCHMSA-N 1 1 397.475 3.778 20 5 GHBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492655671 877260003 /nfs/dbraw/zinc/26/00/03/877260003.db2.gz PMVHTWZUOMZISB-LJQANCHMSA-N 1 1 397.475 3.778 20 5 GHBDMO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000609992849 877289073 /nfs/dbraw/zinc/28/90/73/877289073.db2.gz XMUJPQUJNMNQAU-INIZCTEOSA-N 1 1 383.423 3.535 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285260698 912224468 /nfs/dbraw/zinc/22/44/68/912224468.db2.gz HWHXLMIKAPQYIM-ZDUSSCGKSA-N 1 1 397.391 3.789 20 5 GHBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285260698 912224487 /nfs/dbraw/zinc/22/44/87/912224487.db2.gz HWHXLMIKAPQYIM-ZDUSSCGKSA-N 1 1 397.391 3.789 20 5 GHBDMO C[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1Cc1ccccc1 ZINC001170073471 877422334 /nfs/dbraw/zinc/42/23/34/877422334.db2.gz GGBFWDVYRUWJJV-SFHVURJKSA-N 1 1 393.409 3.972 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610128081 877440988 /nfs/dbraw/zinc/44/09/88/877440988.db2.gz YUFLWSKSQDOYOB-MRXNPFEDSA-N 1 1 392.459 3.813 20 5 GHBDMO COc1cc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c(SC)cc1OC ZINC000610161224 877466316 /nfs/dbraw/zinc/46/63/16/877466316.db2.gz SWDLGHLSULRHEQ-UHFFFAOYSA-N 1 1 392.477 3.845 20 5 GHBDMO CC(C)c1ccc(C[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000030958508 877609515 /nfs/dbraw/zinc/60/95/15/877609515.db2.gz NWHLFHZSAVUGOK-UHFFFAOYSA-N 1 1 385.420 3.517 20 5 GHBDMO CC(C)c1ccc(C[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000030958508 877609519 /nfs/dbraw/zinc/60/95/19/877609519.db2.gz NWHLFHZSAVUGOK-UHFFFAOYSA-N 1 1 385.420 3.517 20 5 GHBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451345914 877795812 /nfs/dbraw/zinc/79/58/12/877795812.db2.gz RKHIATJCQJXBBZ-BNEJOLLZSA-N 1 1 386.452 3.721 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000451546367 878119177 /nfs/dbraw/zinc/11/91/77/878119177.db2.gz JDGQMQCIDSPGAZ-CVEARBPZSA-N 1 1 399.413 3.575 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cccc([N+](=O)[O-])c3C)C2)s1 ZINC000552004164 878144036 /nfs/dbraw/zinc/14/40/36/878144036.db2.gz YIIYSCAZYPPKDL-INIZCTEOSA-N 1 1 387.505 3.867 20 5 GHBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582338 878197270 /nfs/dbraw/zinc/19/72/70/878197270.db2.gz RWUXFNWXAHVVIN-OAQYLSRUSA-N 1 1 381.432 3.848 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)cc1 ZINC000776588741 878290812 /nfs/dbraw/zinc/29/08/12/878290812.db2.gz BJHOFGILJHIKSM-VQTJNVASSA-N 1 1 398.484 3.926 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000530672938 878300368 /nfs/dbraw/zinc/30/03/68/878300368.db2.gz BDQIYFFTEPLQRU-YWZLYKJASA-N 1 1 392.459 3.717 20 5 GHBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451726874 878359912 /nfs/dbraw/zinc/35/99/12/878359912.db2.gz WGMWHHPPLMXVLV-UHFFFAOYSA-N 1 1 399.369 3.801 20 5 GHBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852514951 878388505 /nfs/dbraw/zinc/38/85/05/878388505.db2.gz MQQSAPKPLNTEFP-JKSUJKDBSA-N 1 1 385.247 3.600 20 5 GHBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852514951 878388525 /nfs/dbraw/zinc/38/85/25/878388525.db2.gz MQQSAPKPLNTEFP-JKSUJKDBSA-N 1 1 385.247 3.600 20 5 GHBDMO O=[N+]([O-])c1nn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1Br ZINC000795687423 912392842 /nfs/dbraw/zinc/39/28/42/912392842.db2.gz LESKSBBNKOVIGP-SQWLQELKSA-N 1 1 391.269 3.779 20 5 GHBDMO O=[N+]([O-])c1nn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1Br ZINC000795687423 912392864 /nfs/dbraw/zinc/39/28/64/912392864.db2.gz LESKSBBNKOVIGP-SQWLQELKSA-N 1 1 391.269 3.779 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3cc(F)ncn3)CC2)s1 ZINC000853180541 878873262 /nfs/dbraw/zinc/87/32/62/878873262.db2.gz DJWPLCNPHSYQJY-UHFFFAOYSA-N 1 1 399.451 3.575 20 5 GHBDMO Cc1cccc(C)c1OC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000538222790 879043950 /nfs/dbraw/zinc/04/39/50/879043950.db2.gz ARUSZSMEIMVAIA-GOSISDBHSA-N 1 1 380.448 3.855 20 5 GHBDMO Cc1cccc(C)c1OC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000538222791 879044743 /nfs/dbraw/zinc/04/47/43/879044743.db2.gz ARUSZSMEIMVAIA-SFHVURJKSA-N 1 1 380.448 3.855 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000538234712 879093935 /nfs/dbraw/zinc/09/39/35/879093935.db2.gz GAGYAHTZUPOFDI-CABCVRRESA-N 1 1 379.526 3.946 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000538234906 879094173 /nfs/dbraw/zinc/09/41/73/879094173.db2.gz ZGPFPRNANROZFZ-UHFFFAOYSA-N 1 1 385.489 3.962 20 5 GHBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520233127 880406600 /nfs/dbraw/zinc/40/66/00/880406600.db2.gz DLHQHWSDYUDCBA-SFHVURJKSA-N 1 1 391.830 3.954 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000609383615 883129463 /nfs/dbraw/zinc/12/94/63/883129463.db2.gz WWVUQSWGBIXQKZ-SFHVURJKSA-N 1 1 380.448 3.553 20 5 GHBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)CC(C)(C)O ZINC000093414586 883147312 /nfs/dbraw/zinc/14/73/12/883147312.db2.gz GMIYLNVPHWFOSM-UHFFFAOYSA-N 1 1 383.242 3.820 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000609506190 883300401 /nfs/dbraw/zinc/30/04/01/883300401.db2.gz LFEGLNMUYYXNFS-JKSUJKDBSA-N 1 1 387.505 3.712 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000804812423 883373567 /nfs/dbraw/zinc/37/35/67/883373567.db2.gz NWXUIXJYVHTADL-FQEVSTJZSA-N 1 1 382.420 3.605 20 5 GHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000175268371 883544949 /nfs/dbraw/zinc/54/49/49/883544949.db2.gz WPPGSIZDMOUJDI-QYFOZDBKSA-N 1 1 393.487 3.979 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609874668 883760864 /nfs/dbraw/zinc/76/08/64/883760864.db2.gz FNDVYQYNBUYVBR-MRXNPFEDSA-N 1 1 387.867 3.890 20 5 GHBDMO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c(OC)c1 ZINC000859632842 883959177 /nfs/dbraw/zinc/95/91/77/883959177.db2.gz RMTYFLJNEGCMCQ-NSHDSACASA-N 1 1 393.827 3.555 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000194734693 884328620 /nfs/dbraw/zinc/32/86/20/884328620.db2.gz MAHYTQGADYHCDA-RDJZCZTQSA-N 1 1 395.459 3.529 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000495124864 884603122 /nfs/dbraw/zinc/60/31/22/884603122.db2.gz XWPNNXMSGMGIMV-SJLPKXTDSA-N 1 1 397.475 3.634 20 5 GHBDMO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000121870091 885397437 /nfs/dbraw/zinc/39/74/37/885397437.db2.gz VMHYYWORWLZHAN-CYBMUJFWSA-N 1 1 397.522 3.538 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccccc2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000532486007 885817514 /nfs/dbraw/zinc/81/75/14/885817514.db2.gz VRHSVRIKCIVDGB-UHFFFAOYSA-N 1 1 383.448 3.844 20 5 GHBDMO C[C@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127504390 885932258 /nfs/dbraw/zinc/93/22/58/885932258.db2.gz FYECJJKRGQHQDG-QFBILLFUSA-N 1 1 399.466 3.693 20 5 GHBDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747468786 886155864 /nfs/dbraw/zinc/15/58/64/886155864.db2.gz WOUFCAVBEFCWBJ-QFBILLFUSA-N 1 1 377.448 3.764 20 5 GHBDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532579551 886165998 /nfs/dbraw/zinc/16/59/98/886165998.db2.gz OZQNWAFSYXLEAA-YOEHRIQHSA-N 1 1 383.423 3.501 20 5 GHBDMO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000762632739 886574438 /nfs/dbraw/zinc/57/44/38/886574438.db2.gz JAXOJTFXVANWCI-MEDUHNTESA-N 1 1 388.811 3.682 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536505848 886590397 /nfs/dbraw/zinc/59/03/97/886590397.db2.gz MREZRNKISNOCAI-QGZVFWFLSA-N 1 1 392.459 3.670 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000808795081 886792162 /nfs/dbraw/zinc/79/21/62/886792162.db2.gz QFVDUTQEVACBLY-LJQANCHMSA-N 1 1 378.831 3.814 20 5 GHBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000808795081 886792169 /nfs/dbraw/zinc/79/21/69/886792169.db2.gz QFVDUTQEVACBLY-LJQANCHMSA-N 1 1 378.831 3.814 20 5 GHBDMO NC(=O)c1ccc(C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000532646321 886844204 /nfs/dbraw/zinc/84/42/04/886844204.db2.gz PHGAMARPCOOJLV-UHFFFAOYSA-N 1 1 385.439 3.820 20 5 GHBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000808929163 886947801 /nfs/dbraw/zinc/94/78/01/886947801.db2.gz QWCQPSYENUACND-OAQYLSRUSA-N 1 1 399.878 3.986 20 5 GHBDMO C[C@H]1CN(c2ccccc2C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000459311451 887267137 /nfs/dbraw/zinc/26/71/37/887267137.db2.gz XQQKYBSWNXHRHV-KRWDZBQOSA-N 1 1 381.476 3.985 20 5 GHBDMO C[C@H]1CN(c2ccccc2C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000459311451 887267149 /nfs/dbraw/zinc/26/71/49/887267149.db2.gz XQQKYBSWNXHRHV-KRWDZBQOSA-N 1 1 381.476 3.985 20 5 GHBDMO COc1cccc2c1CC[N@H+]([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000193724370 887304167 /nfs/dbraw/zinc/30/41/67/887304167.db2.gz PULUQGIKPARDGL-CQSZACIVSA-N 1 1 394.431 3.815 20 5 GHBDMO O=[N+]([O-])c1cccnc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000301090727 887315442 /nfs/dbraw/zinc/31/54/42/887315442.db2.gz MSUOVIZWUVCHGJ-UHFFFAOYSA-N 1 1 380.370 3.721 20 5 GHBDMO COCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000272426913 887477757 /nfs/dbraw/zinc/47/77/57/887477757.db2.gz IWJYZLASLATTLE-NHYWBVRUSA-N 1 1 381.816 3.536 20 5 GHBDMO CCOc1cccc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272536210 887670492 /nfs/dbraw/zinc/67/04/92/887670492.db2.gz OCYVPMKUILTRBO-FQEVSTJZSA-N 1 1 380.448 3.649 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272540290 887670616 /nfs/dbraw/zinc/67/06/16/887670616.db2.gz OXKFINYPWIIKKQ-UXHICEINSA-N 1 1 392.459 3.521 20 5 GHBDMO C[C@H]1CCC[N@@H+](CCCCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272565421 887773064 /nfs/dbraw/zinc/77/30/64/887773064.db2.gz UWLNBNOUNBZMNN-FXAWDEMLSA-N 1 1 385.512 3.519 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CCCO[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000609233279 888098248 /nfs/dbraw/zinc/09/82/48/888098248.db2.gz CHPGAIVCSCUJFD-HXUWFJFHSA-N 1 1 383.448 3.695 20 5 GHBDMO COc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194413913 888305436 /nfs/dbraw/zinc/30/54/36/888305436.db2.gz RRKTWAYNJOXQBW-WMZOPIPTSA-N 1 1 397.475 3.729 20 5 GHBDMO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000794892905 888702247 /nfs/dbraw/zinc/70/22/47/888702247.db2.gz SKSLDOOBAWQLOK-HXUWFJFHSA-N 1 1 381.411 3.614 20 5 GHBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000794892905 888702255 /nfs/dbraw/zinc/70/22/55/888702255.db2.gz SKSLDOOBAWQLOK-HXUWFJFHSA-N 1 1 381.411 3.614 20 5 GHBDMO Cc1nn(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121231179 889037332 /nfs/dbraw/zinc/03/73/32/889037332.db2.gz GQKCMMHIZQLQKB-IBGZPJMESA-N 1 1 393.491 3.664 20 5 GHBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1csc2ccccc12 ZINC000532918076 889326368 /nfs/dbraw/zinc/32/63/68/889326368.db2.gz ASMZTMSYDABUTA-UHFFFAOYSA-N 1 1 381.457 3.831 20 5 GHBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1csc2ccccc12 ZINC000532918076 889326380 /nfs/dbraw/zinc/32/63/80/889326380.db2.gz ASMZTMSYDABUTA-UHFFFAOYSA-N 1 1 381.457 3.831 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532969217 889409154 /nfs/dbraw/zinc/40/91/54/889409154.db2.gz MNFFGTPXWBQBGG-INIZCTEOSA-N 1 1 389.496 3.983 20 5 GHBDMO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811474247 889659464 /nfs/dbraw/zinc/65/94/64/889659464.db2.gz GIYUEXDVCRCGCS-UHFFFAOYSA-N 1 1 382.247 3.650 20 5 GHBDMO O=[N+]([O-])c1cc(CO)c(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC001184681679 913386253 /nfs/dbraw/zinc/38/62/53/913386253.db2.gz SRHKMHLCRKUQPM-UHFFFAOYSA-N 1 1 393.846 3.592 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125625019 890057862 /nfs/dbraw/zinc/05/78/62/890057862.db2.gz CPTRLUYDIDBGPL-HNNXBMFYSA-N 1 1 375.469 3.736 20 5 GHBDMO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)Cn1nccc1[N+](=O)[O-] ZINC000122740643 890058487 /nfs/dbraw/zinc/05/84/87/890058487.db2.gz OZXPWIARWSBSRQ-UHFFFAOYSA-N 1 1 387.415 3.888 20 5 GHBDMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)Cn1nccc1[N+](=O)[O-] ZINC000122740643 890058502 /nfs/dbraw/zinc/05/85/02/890058502.db2.gz OZXPWIARWSBSRQ-UHFFFAOYSA-N 1 1 387.415 3.888 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccc(C)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000533294764 890214867 /nfs/dbraw/zinc/21/48/67/890214867.db2.gz MYUABPQRGCJRHQ-UHFFFAOYSA-N 1 1 383.448 3.823 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(C)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000533294764 890214882 /nfs/dbraw/zinc/21/48/82/890214882.db2.gz MYUABPQRGCJRHQ-UHFFFAOYSA-N 1 1 383.448 3.823 20 5 GHBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000533303942 890252796 /nfs/dbraw/zinc/25/27/96/890252796.db2.gz LSYDEKWFXFYCSG-CQSZACIVSA-N 1 1 389.839 3.685 20 5 GHBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000533303942 890252810 /nfs/dbraw/zinc/25/28/10/890252810.db2.gz LSYDEKWFXFYCSG-CQSZACIVSA-N 1 1 389.839 3.685 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795104702 890270018 /nfs/dbraw/zinc/27/00/18/890270018.db2.gz ZISXVIXDUDVDIE-UWWQBHOKSA-N 1 1 375.469 3.987 20 5 GHBDMO C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455094602 890324242 /nfs/dbraw/zinc/32/42/42/890324242.db2.gz OOBGODNVNGXWGP-GJYPPUQNSA-N 1 1 382.464 3.618 20 5 GHBDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000533418570 890509378 /nfs/dbraw/zinc/50/93/78/890509378.db2.gz QGRILGGUKHIIGJ-SFHVURJKSA-N 1 1 395.459 3.908 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H](OCC(F)(F)F)C3)o2)c1 ZINC000533449268 890566201 /nfs/dbraw/zinc/56/62/01/890566201.db2.gz SGEMRZWOCWMQLL-HNNXBMFYSA-N 1 1 399.369 3.836 20 5 GHBDMO CC[C@H](C)n1ncc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1C ZINC000813170985 891328283 /nfs/dbraw/zinc/32/82/83/891328283.db2.gz POWQVQDLDYKLCJ-KSSFIOAISA-N 1 1 386.452 3.502 20 5 GHBDMO CC[C@H](C)n1ncc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1C ZINC000813170985 891328295 /nfs/dbraw/zinc/32/82/95/891328295.db2.gz POWQVQDLDYKLCJ-KSSFIOAISA-N 1 1 386.452 3.502 20 5 GHBDMO Cc1nc(CCCC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cs1 ZINC000813172133 891329312 /nfs/dbraw/zinc/32/93/12/891329312.db2.gz GHFXDAISRMZHFP-SFHVURJKSA-N 1 1 389.477 3.500 20 5 GHBDMO Cc1nc(CCCC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cs1 ZINC000813172133 891329328 /nfs/dbraw/zinc/32/93/28/891329328.db2.gz GHFXDAISRMZHFP-SFHVURJKSA-N 1 1 389.477 3.500 20 5 GHBDMO C[N@H+]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](c2ccccc2)C1 ZINC000497414252 891531921 /nfs/dbraw/zinc/53/19/21/891531921.db2.gz DBTJEONQURLOFN-SJORKVTESA-N 1 1 381.457 3.637 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000614938288 891616156 /nfs/dbraw/zinc/61/61/56/891616156.db2.gz NJBNUCBAHGDEMP-KRWDZBQOSA-N 1 1 398.463 3.637 20 5 GHBDMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000216857092 892428828 /nfs/dbraw/zinc/42/88/28/892428828.db2.gz GKAXPTINYKTFQY-VGMNTSGFSA-N 1 1 395.459 3.522 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000497911868 892672366 /nfs/dbraw/zinc/67/23/66/892672366.db2.gz FUPSQJITSCGYBE-AWEZNQCLSA-N 1 1 388.493 3.713 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000497932969 892767467 /nfs/dbraw/zinc/76/74/67/892767467.db2.gz AQKOWHFAWGRREV-CYBMUJFWSA-N 1 1 395.381 3.864 20 5 GHBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000509684019 892784342 /nfs/dbraw/zinc/78/43/42/892784342.db2.gz JVVFBTRSLCVSFL-LSDHHAIUSA-N 1 1 385.489 3.911 20 5 GHBDMO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000498009353 892979695 /nfs/dbraw/zinc/97/96/95/892979695.db2.gz QFYXGSMYVLGZBV-IEBWSBKVSA-N 1 1 397.475 3.658 20 5 GHBDMO COc1cccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1[N+](=O)[O-] ZINC000194613995 893468079 /nfs/dbraw/zinc/46/80/79/893468079.db2.gz KKMGSHUGLPKMKC-CYBMUJFWSA-N 1 1 380.404 3.589 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000815208879 893610304 /nfs/dbraw/zinc/61/03/04/893610304.db2.gz DOJVPQYXZZKUGW-MRXNPFEDSA-N 1 1 377.784 3.810 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000815208879 893610314 /nfs/dbraw/zinc/61/03/14/893610314.db2.gz DOJVPQYXZZKUGW-MRXNPFEDSA-N 1 1 377.784 3.810 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878105610 894021861 /nfs/dbraw/zinc/02/18/61/894021861.db2.gz ACVZYHCLXOGAKA-SJORKVTESA-N 1 1 399.495 3.731 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001185404003 913837351 /nfs/dbraw/zinc/83/73/51/913837351.db2.gz NDDHVADYNKKOQN-IRXDYDNUSA-N 1 1 389.496 3.781 20 5 GHBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1)CC(C)C ZINC000536923084 894137829 /nfs/dbraw/zinc/13/78/29/894137829.db2.gz ACXXVTBUFKKAOT-UHFFFAOYSA-N 1 1 391.512 3.824 20 5 GHBDMO CC(C)[C@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCO1 ZINC000878658540 894490917 /nfs/dbraw/zinc/49/09/17/894490917.db2.gz YZBKUPDEPHIYRK-OAHLLOKOSA-N 1 1 380.832 3.545 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCO1 ZINC000878658540 894490927 /nfs/dbraw/zinc/49/09/27/894490927.db2.gz YZBKUPDEPHIYRK-OAHLLOKOSA-N 1 1 380.832 3.545 20 5 GHBDMO CC(C)[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537392391 894887899 /nfs/dbraw/zinc/88/78/99/894887899.db2.gz JCQGZNKALACERH-HUUCEWRRSA-N 1 1 381.839 3.757 20 5 GHBDMO CC(C)[N@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537392391 894887904 /nfs/dbraw/zinc/88/79/04/894887904.db2.gz JCQGZNKALACERH-HUUCEWRRSA-N 1 1 381.839 3.757 20 5 GHBDMO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1cccc(OC)c1OC ZINC000879465496 895076200 /nfs/dbraw/zinc/07/62/00/895076200.db2.gz FNVQOPBIUHKAFI-MRXNPFEDSA-N 1 1 388.420 3.640 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000138464934 895198713 /nfs/dbraw/zinc/19/87/13/895198713.db2.gz ZDSCIVMGKHTDRJ-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000138464934 895198717 /nfs/dbraw/zinc/19/87/17/895198717.db2.gz ZDSCIVMGKHTDRJ-UZLBHIALSA-N 1 1 383.448 3.694 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3CC[N@@H+](CC4CCCC4)C3)c2c1 ZINC001185564750 913957060 /nfs/dbraw/zinc/95/70/60/913957060.db2.gz AZWLDZDTBLAWMY-ZDUSSCGKSA-N 1 1 375.860 3.868 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000565386702 895582562 /nfs/dbraw/zinc/58/25/62/895582562.db2.gz QKQOJGHWDYAQDY-LSDHHAIUSA-N 1 1 381.839 3.769 20 5 GHBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000565386702 895582568 /nfs/dbraw/zinc/58/25/68/895582568.db2.gz QKQOJGHWDYAQDY-LSDHHAIUSA-N 1 1 381.839 3.769 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)o2)c1 ZINC000565814008 895903810 /nfs/dbraw/zinc/90/38/10/895903810.db2.gz VNAFUVFJJUORNK-GUYCJALGSA-N 1 1 384.354 3.990 20 5 GHBDMO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881101405 896138281 /nfs/dbraw/zinc/13/82/81/896138281.db2.gz OONDGAJDNHSLAU-QVKFZJNVSA-N 1 1 377.448 3.963 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000819224007 896517682 /nfs/dbraw/zinc/51/76/82/896517682.db2.gz SYKGJHYTVIIIRZ-KZKAQZJJSA-N 1 1 395.503 3.519 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)c2c(Cl)c1 ZINC000819903669 897044408 /nfs/dbraw/zinc/04/44/08/897044408.db2.gz ZLEAVSWEUPIRHP-SFHVURJKSA-N 1 1 390.871 3.837 20 5 GHBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)c2c(Cl)c1 ZINC000819903669 897044417 /nfs/dbraw/zinc/04/44/17/897044417.db2.gz ZLEAVSWEUPIRHP-SFHVURJKSA-N 1 1 390.871 3.837 20 5 GHBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COCc1ccccc1Cl ZINC000820632413 897425286 /nfs/dbraw/zinc/42/52/86/897425286.db2.gz LIONVUXMQQYQHI-MRXNPFEDSA-N 1 1 399.274 3.911 20 5 GHBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COCc1ccccc1Cl ZINC000820632413 897425291 /nfs/dbraw/zinc/42/52/91/897425291.db2.gz LIONVUXMQQYQHI-MRXNPFEDSA-N 1 1 399.274 3.911 20 5 GHBDMO CCCn1nc(C)c(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c1C ZINC000883288103 897448827 /nfs/dbraw/zinc/44/88/27/897448827.db2.gz RHVOMEHVGPRBIT-UHFFFAOYSA-N 1 1 381.274 3.870 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000131988710 897626277 /nfs/dbraw/zinc/62/62/77/897626277.db2.gz NIKFJXOBTKOVHS-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001136465209 897974152 /nfs/dbraw/zinc/97/41/52/897974152.db2.gz HQPMMZBCJIPQNJ-AWEZNQCLSA-N 1 1 385.867 3.701 20 5 GHBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000103133393 898068039 /nfs/dbraw/zinc/06/80/39/898068039.db2.gz VRYLURNXOJMHSP-INIZCTEOSA-N 1 1 387.867 3.543 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000569410977 898633238 /nfs/dbraw/zinc/63/32/38/898633238.db2.gz PREWQCCETBSTTI-QRVBRYPASA-N 1 1 398.459 3.617 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155692314 899006026 /nfs/dbraw/zinc/00/60/26/899006026.db2.gz NZVWBXRMPBKRTG-UHFFFAOYSA-N 1 1 398.419 3.805 20 5 GHBDMO Cc1cc(Cl)c(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000823747445 899229440 /nfs/dbraw/zinc/22/94/40/899229440.db2.gz BCRAWKGPGCTYGF-UHFFFAOYSA-N 1 1 375.856 3.809 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000134156424 899666694 /nfs/dbraw/zinc/66/66/94/899666694.db2.gz UXHHZLKGRRIJRK-HOTGVXAUSA-N 1 1 393.484 3.599 20 5 GHBDMO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000571197633 899777550 /nfs/dbraw/zinc/77/75/50/899777550.db2.gz ZIYSVLLWYYQCFG-SFHVURJKSA-N 1 1 389.402 3.715 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000571546203 899907434 /nfs/dbraw/zinc/90/74/34/899907434.db2.gz VRNFEZBFPLWGAH-OAHLLOKOSA-N 1 1 393.365 3.830 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1C ZINC001137042595 900191073 /nfs/dbraw/zinc/19/10/73/900191073.db2.gz CVURJEDNAFNHJM-KRWDZBQOSA-N 1 1 381.476 3.948 20 5 GHBDMO COc1ccc(C2CC[NH+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)CC2)nc1 ZINC000844713656 901190494 /nfs/dbraw/zinc/19/04/94/901190494.db2.gz XJVULXDFUJEKME-UHFFFAOYSA-N 1 1 393.447 3.699 20 5 GHBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000778950443 902097356 /nfs/dbraw/zinc/09/73/56/902097356.db2.gz KHTSBPMWSZWQQI-HOTGVXAUSA-N 1 1 393.484 3.729 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000047611636 902204194 /nfs/dbraw/zinc/20/41/94/902204194.db2.gz PTWQOOBNVJQANQ-IYBDPMFKSA-N 1 1 398.463 3.526 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000778984895 902556287 /nfs/dbraw/zinc/55/62/87/902556287.db2.gz FCEBNBWJMQCCGW-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000778984895 902556292 /nfs/dbraw/zinc/55/62/92/902556292.db2.gz FCEBNBWJMQCCGW-STQMWFEESA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@H]1[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001186640077 914698727 /nfs/dbraw/zinc/69/87/27/914698727.db2.gz WQZJRDXTZIAAJC-MAUKXSAKSA-N 1 1 392.459 3.522 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000132373604 903247042 /nfs/dbraw/zinc/24/70/42/903247042.db2.gz ZQKMEFXBNDYKKV-FXAWDEMLSA-N 1 1 381.476 3.649 20 5 GHBDMO C[C@H](c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1)[NH+]1CCOCC1 ZINC000264765200 903366731 /nfs/dbraw/zinc/36/67/31/903366731.db2.gz NFQLZVBQVSMWLY-CQSZACIVSA-N 1 1 394.431 3.722 20 5 GHBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000577959464 903385690 /nfs/dbraw/zinc/38/56/90/903385690.db2.gz POIDIRQETLLCJH-SNVBAGLBSA-N 1 1 396.216 3.786 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000601304332 903555549 /nfs/dbraw/zinc/55/55/49/903555549.db2.gz NLDWWOHKWLJECP-RBUKOAKNSA-N 1 1 384.480 3.747 20 5 GHBDMO COc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OCC(F)F ZINC000578342897 903748461 /nfs/dbraw/zinc/74/84/61/903748461.db2.gz SKZXHGIDHJQLHJ-UHFFFAOYSA-N 1 1 396.390 3.888 20 5 GHBDMO COc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OCC(F)F ZINC000578342897 903748472 /nfs/dbraw/zinc/74/84/72/903748472.db2.gz SKZXHGIDHJQLHJ-UHFFFAOYSA-N 1 1 396.390 3.888 20 5 GHBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001147472895 903793068 /nfs/dbraw/zinc/79/30/68/903793068.db2.gz ULXDGBWSMOJNQE-MRXNPFEDSA-N 1 1 383.448 3.849 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1CN(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000578580064 903978669 /nfs/dbraw/zinc/97/86/69/903978669.db2.gz RSMPDHYNVVAPDC-OAQYLSRUSA-N 1 1 398.507 3.875 20 5 GHBDMO Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC001171561259 904830313 /nfs/dbraw/zinc/83/03/13/904830313.db2.gz NYFUOFXUAJFXAG-ONTIZHBOSA-N 1 1 384.476 3.742 20 5 GHBDMO C[C@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCc2ccc(F)cc21 ZINC001171670817 904909317 /nfs/dbraw/zinc/90/93/17/904909317.db2.gz LRPQPULFJXSQQX-VBKZILBWSA-N 1 1 383.423 3.501 20 5 GHBDMO C[C@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCc2ccc(F)cc21 ZINC001171670817 904909323 /nfs/dbraw/zinc/90/93/23/904909323.db2.gz LRPQPULFJXSQQX-VBKZILBWSA-N 1 1 383.423 3.501 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](COCc4ccccc4)C3)n2)cc1 ZINC000173657178 905088204 /nfs/dbraw/zinc/08/82/04/905088204.db2.gz HNBFGUUEHHOTQP-QGZVFWFLSA-N 1 1 394.431 3.684 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583331 921161875 /nfs/dbraw/zinc/16/18/75/921161875.db2.gz UBZRENVSUOCLAK-NHCUHLMSSA-N 1 1 383.492 3.519 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583331 921161879 /nfs/dbraw/zinc/16/18/79/921161879.db2.gz UBZRENVSUOCLAK-NHCUHLMSSA-N 1 1 383.492 3.519 20 5 GHBDMO CC(C)Oc1ncnc2c1CC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172904416 905927599 /nfs/dbraw/zinc/92/75/99/905927599.db2.gz NFUHLNVDYKRQLG-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO O=C1C[C@@H]2[C@H](CC[N@@H+]2[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)N1c1ccsc1 ZINC001172908565 905936201 /nfs/dbraw/zinc/93/62/01/905936201.db2.gz DRFFJTWJYZEUIY-FFZOFVMBSA-N 1 1 397.500 3.784 20 5 GHBDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921394 905993303 /nfs/dbraw/zinc/99/33/03/905993303.db2.gz PUDHAAHDJDCXOE-KRWDZBQOSA-N 1 1 377.485 3.689 20 5 GHBDMO CC(C)C(=O)N1CCC[C@]12CC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172912192 906022002 /nfs/dbraw/zinc/02/20/02/906022002.db2.gz YPIQGPONBZEKNB-SIKLNZKXSA-N 1 1 385.508 3.565 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3C[C@@H]4CC(F)(F)C[C@@H]4C3)CC2)c(F)c1 ZINC001173009869 906085124 /nfs/dbraw/zinc/08/51/24/906085124.db2.gz ISNPVJNIZDWGQP-TXEJJXNPSA-N 1 1 387.377 3.819 20 5 GHBDMO C[C@@H]1C[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCC1(F)F ZINC001173010445 906087273 /nfs/dbraw/zinc/08/72/73/906087273.db2.gz RXPYWNQCSHKFOU-LLVKDONJSA-N 1 1 375.366 3.819 20 5 GHBDMO COc1ccc2c(c1)C[N@@H+](C1CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC1)C2 ZINC001173018594 906095593 /nfs/dbraw/zinc/09/55/93/906095593.db2.gz WLQGWCLXRHDBKB-UHFFFAOYSA-N 1 1 389.402 3.866 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCN(c3ccc(C)cc3)CC2)c1F ZINC001173187126 906268495 /nfs/dbraw/zinc/26/84/95/906268495.db2.gz XREFYGFRBZAZLD-MRXNPFEDSA-N 1 1 387.455 3.804 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001173230045 906314774 /nfs/dbraw/zinc/31/47/74/906314774.db2.gz YRNAQBHVLFDARV-HHXXYDBFSA-N 1 1 386.521 3.579 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001173231902 906318040 /nfs/dbraw/zinc/31/80/40/906318040.db2.gz DMBFADDWEGWIRG-HBGVWJBISA-N 1 1 381.476 3.649 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001173232258 906318728 /nfs/dbraw/zinc/31/87/28/906318728.db2.gz QJMKAUHIDIPNFQ-IVZQSRNASA-N 1 1 380.444 3.867 20 5 GHBDMO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233483 906321247 /nfs/dbraw/zinc/32/12/47/906321247.db2.gz WXNZESWZEYLUIO-APWZRJJASA-N 1 1 380.485 3.596 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008127563 921262060 /nfs/dbraw/zinc/26/20/60/921262060.db2.gz ZLXSSDGIYQRPDW-UHFFFAOYSA-N 1 1 379.416 3.827 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000008127563 921262065 /nfs/dbraw/zinc/26/20/65/921262065.db2.gz ZLXSSDGIYQRPDW-UHFFFAOYSA-N 1 1 379.416 3.827 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)Cc1csc(C)n1 ZINC001176129898 907952175 /nfs/dbraw/zinc/95/21/75/907952175.db2.gz DADZLDUENBQVSF-UHFFFAOYSA-N 1 1 392.484 3.903 20 5 GHBDMO CCOc1cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001176727955 908229059 /nfs/dbraw/zinc/22/90/59/908229059.db2.gz MJWVCBKNABFWPK-GDBMZVCRSA-N 1 1 393.484 3.586 20 5 GHBDMO O=C(CC[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC001176874375 908282784 /nfs/dbraw/zinc/28/27/84/908282784.db2.gz KMNOVSXIEPDWDY-LJQANCHMSA-N 1 1 383.448 3.726 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H]1C ZINC001176916536 908321544 /nfs/dbraw/zinc/32/15/44/908321544.db2.gz YSCMQINXKPLEAM-SJBDTSRBSA-N 1 1 382.432 3.541 20 5 GHBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H]1C ZINC001176916536 908321555 /nfs/dbraw/zinc/32/15/55/908321555.db2.gz YSCMQINXKPLEAM-SJBDTSRBSA-N 1 1 382.432 3.541 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]([N@@H+](C)CC)C2)cc1OC ZINC001177051168 908383481 /nfs/dbraw/zinc/38/34/81/908383481.db2.gz TUNXFEZSRBVLRO-DOTOQJQBSA-N 1 1 379.501 3.554 20 5 GHBDMO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000191566275 908643377 /nfs/dbraw/zinc/64/33/77/908643377.db2.gz JQHYOIQNDIDUIL-UHFFFAOYSA-N 1 1 375.450 3.608 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193765038 908693263 /nfs/dbraw/zinc/69/32/63/908693263.db2.gz FHEZNOANPLIMNB-QGZVFWFLSA-N 1 1 399.516 3.959 20 5 GHBDMO COc1ccc([C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)cc1 ZINC000193346455 908867360 /nfs/dbraw/zinc/86/73/60/908867360.db2.gz OEXFBHRXBIJFBK-LJQANCHMSA-N 1 1 380.404 3.894 20 5 GHBDMO C[C@@H]1[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@H+]1C ZINC001178224307 908963342 /nfs/dbraw/zinc/96/33/42/908963342.db2.gz GPBRITRJGLEDTK-WBMJQRKESA-N 1 1 389.839 3.863 20 5 GHBDMO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(OCCc4ccccc4)CC3)c2c1 ZINC000195186845 908977620 /nfs/dbraw/zinc/97/76/20/908977620.db2.gz ZFLQADUOOMUKJU-UHFFFAOYSA-N 1 1 380.448 3.626 20 5 GHBDMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000266940689 909343497 /nfs/dbraw/zinc/34/34/97/909343497.db2.gz WISWZSXCWUFOMK-UHFFFAOYSA-N 1 1 389.839 3.805 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267409267 909486944 /nfs/dbraw/zinc/48/69/44/909486944.db2.gz ZFEGVZFCRCRBLH-ZDUSSCGKSA-N 1 1 393.896 3.952 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245570190 909749978 /nfs/dbraw/zinc/74/99/78/909749978.db2.gz AJUILKIDZZNBOW-DOTOQJQBSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245570190 909749987 /nfs/dbraw/zinc/74/99/87/909749987.db2.gz AJUILKIDZZNBOW-DOTOQJQBSA-N 1 1 377.803 3.563 20 5 GHBDMO CCC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC001179979772 909846515 /nfs/dbraw/zinc/84/65/15/909846515.db2.gz JUBFVVCIBGTMBW-INIZCTEOSA-N 1 1 389.418 3.546 20 5 GHBDMO CC(=O)N(C)CCC(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001180228424 910025744 /nfs/dbraw/zinc/02/57/44/910025744.db2.gz MNWCNRITNAVCQN-UHFFFAOYSA-N 1 1 378.476 3.569 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000246254894 910204936 /nfs/dbraw/zinc/20/49/36/910204936.db2.gz JYYIRVYTJYGBFC-ILWGZMRPSA-N 1 1 384.476 3.997 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000246367788 910264348 /nfs/dbraw/zinc/26/43/48/910264348.db2.gz LNGCLSXCDWTRMQ-HUUCEWRRSA-N 1 1 379.888 3.975 20 5 GHBDMO COc1cc(NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(F)cc1[N+](=O)[O-] ZINC000270579331 910615536 /nfs/dbraw/zinc/61/55/36/910615536.db2.gz RVBTYGRLZKWVQB-UHFFFAOYSA-N 1 1 392.431 3.671 20 5 GHBDMO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000271481951 910922543 /nfs/dbraw/zinc/92/25/43/910922543.db2.gz KJBFSPPEJRSVQS-GFCCVEGCSA-N 1 1 397.884 3.861 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000247061102 910930910 /nfs/dbraw/zinc/93/09/10/910930910.db2.gz UFAPHEXQIVUDTJ-HZPDHXFCSA-N 1 1 386.496 3.570 20 5 GHBDMO COc1cccc(C2([NH2+]Cc3cc(F)ccc3[N+](=O)[O-])CCOCC2)c1F ZINC000773986669 911234389 /nfs/dbraw/zinc/23/43/89/911234389.db2.gz XBMGALGAPJQKQT-UHFFFAOYSA-N 1 1 378.375 3.677 20 5 GHBDMO COc1cc(C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000274273612 911286417 /nfs/dbraw/zinc/28/64/17/911286417.db2.gz BNHOOVXNHJIAPA-LLVKDONJSA-N 1 1 394.399 3.619 20 5 GHBDMO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+](C2CCC2)C1 ZINC000292426041 915672412 /nfs/dbraw/zinc/67/24/12/915672412.db2.gz VSLFNRFUMLCASN-MRXNPFEDSA-N 1 1 384.480 3.599 20 5 GHBDMO C[C@H]1CN(C2CCC2)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000292426041 915672418 /nfs/dbraw/zinc/67/24/18/915672418.db2.gz VSLFNRFUMLCASN-MRXNPFEDSA-N 1 1 384.480 3.599 20 5 GHBDMO C[C@H]1CN(C2CCC2)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000292426041 915672429 /nfs/dbraw/zinc/67/24/29/915672429.db2.gz VSLFNRFUMLCASN-MRXNPFEDSA-N 1 1 384.480 3.599 20 5 GHBDMO Cc1cc(Br)cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000775180532 916062747 /nfs/dbraw/zinc/06/27/47/916062747.db2.gz ZFCLVNRIHUMPDH-UHFFFAOYSA-N 1 1 375.226 3.832 20 5 GHBDMO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000295144635 917168948 /nfs/dbraw/zinc/16/89/48/917168948.db2.gz BJHMFNWRNYGPRW-WBMJQRKESA-N 1 1 397.397 3.703 20 5 GHBDMO COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000796499366 917864097 /nfs/dbraw/zinc/86/40/97/917864097.db2.gz LEFQXVZKTKNSJM-GOSISDBHSA-N 1 1 380.803 3.955 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001191531759 918047368 /nfs/dbraw/zinc/04/73/68/918047368.db2.gz VXLMTBMLKJRXGU-INIZCTEOSA-N 1 1 393.447 3.875 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001191531759 918047382 /nfs/dbraw/zinc/04/73/82/918047382.db2.gz VXLMTBMLKJRXGU-INIZCTEOSA-N 1 1 393.447 3.875 20 5 GHBDMO COc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(Br)cc1O ZINC000113324440 919367509 /nfs/dbraw/zinc/36/75/09/919367509.db2.gz QLXRBUNLQZPJCC-JTQLQIEISA-N 1 1 381.226 3.922 20 5 GHBDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000117340435 919537077 /nfs/dbraw/zinc/53/70/77/919537077.db2.gz ZPHXHDAWCNHPBI-LBPRGKRZSA-N 1 1 390.465 3.659 20 5 GHBDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000800343886 919935783 /nfs/dbraw/zinc/93/57/83/919935783.db2.gz HHRALPNIXOBTDY-WHSLLNHNSA-N 1 1 383.448 3.774 20 5 GHBDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000800343886 919935792 /nfs/dbraw/zinc/93/57/92/919935792.db2.gz HHRALPNIXOBTDY-WHSLLNHNSA-N 1 1 383.448 3.774 20 5 GHBDMO CCc1ccc([C@@H]2CN(C(=O)/C=C(\C)c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000800569437 920279037 /nfs/dbraw/zinc/27/90/37/920279037.db2.gz NTTBJCFWMWPVOD-OZIPEELISA-N 1 1 379.460 3.734 20 5 GHBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000901135941 920860058 /nfs/dbraw/zinc/86/00/58/920860058.db2.gz SGPLIDZLGNIHNI-BXKDBHETSA-N 1 1 390.242 3.597 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1Br ZINC000801526434 921097840 /nfs/dbraw/zinc/09/78/40/921097840.db2.gz PECMEELGSUXSFV-HIFRSBDPSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1Br ZINC000801526434 921097852 /nfs/dbraw/zinc/09/78/52/921097852.db2.gz PECMEELGSUXSFV-HIFRSBDPSA-N 1 1 383.286 3.996 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000902501179 922241170 /nfs/dbraw/zinc/24/11/70/922241170.db2.gz IXUAOAQVEAZLGK-SJBKTWHCSA-N 1 1 379.460 3.818 20 5 GHBDMO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)c1 ZINC000369828830 923653309 /nfs/dbraw/zinc/65/33/09/923653309.db2.gz HKOKVPKBCNEBIW-GOEBONIOSA-N 1 1 394.435 3.596 20 5 GHBDMO Cc1cccc(-c2nnc([C@H](C)[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)c1 ZINC000369828830 923653313 /nfs/dbraw/zinc/65/33/13/923653313.db2.gz HKOKVPKBCNEBIW-GOEBONIOSA-N 1 1 394.435 3.596 20 5 GHBDMO CCCOc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000410026434 925253373 /nfs/dbraw/zinc/25/33/73/925253373.db2.gz FCGCXHHYWSQIAP-UHFFFAOYSA-N 1 1 383.448 3.771 20 5 GHBDMO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000725801772 926446699 /nfs/dbraw/zinc/44/66/99/926446699.db2.gz DVVZPPDQZQWMAG-UHFFFAOYSA-N 1 1 375.375 3.724 20 5 GHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411758026 926745778 /nfs/dbraw/zinc/74/57/78/926745778.db2.gz MRRWQDOFNNIDOZ-UIAACRFSSA-N 1 1 399.516 3.788 20 5 GHBDMO COc1cccc(C[N@@H+](CC(C)C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)c1 ZINC000749947831 927364746 /nfs/dbraw/zinc/36/47/46/927364746.db2.gz ICPIQXRREKBPTG-UHFFFAOYSA-N 1 1 383.452 3.772 20 5 GHBDMO Cc1nn(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749951533 927367865 /nfs/dbraw/zinc/36/78/65/927367865.db2.gz YOUKHSPUWMNNQS-YLJYHZDGSA-N 1 1 395.463 3.705 20 5 GHBDMO CC[N@H+](Cc1cccc(Br)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750035290 927398650 /nfs/dbraw/zinc/39/86/50/927398650.db2.gz CQTWCYLCYLLYBF-KRWDZBQOSA-N 1 1 379.254 3.913 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000374686669 927412369 /nfs/dbraw/zinc/41/23/69/927412369.db2.gz JWZRFSWIHFNPBU-AEFFLSMTSA-N 1 1 397.475 3.634 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750097451 927432763 /nfs/dbraw/zinc/43/27/63/927432763.db2.gz WBXWYFGUPAYYJW-WOJBJXKFSA-N 1 1 380.448 3.742 20 5 GHBDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750097451 927432765 /nfs/dbraw/zinc/43/27/65/927432765.db2.gz WBXWYFGUPAYYJW-WOJBJXKFSA-N 1 1 380.448 3.742 20 5 GHBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000544235289 928963785 /nfs/dbraw/zinc/96/37/85/928963785.db2.gz DUZPBKSEPLIUPU-CYBMUJFWSA-N 1 1 385.917 3.531 20 5 GHBDMO O=C1N(C[NH+]2CCC(c3ccccc3)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752786037 929022226 /nfs/dbraw/zinc/02/22/26/929022226.db2.gz KCVVFTSXATUEEB-UHFFFAOYSA-N 1 1 380.448 3.674 20 5 GHBDMO O=C1N(C[N@H+]2CCC[C@H]2Cc2ccccc2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752786035 929022352 /nfs/dbraw/zinc/02/23/52/929022352.db2.gz JZXSKPTYWVQYFZ-SFHVURJKSA-N 1 1 380.448 3.501 20 5 GHBDMO C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000544442283 929187104 /nfs/dbraw/zinc/18/71/04/929187104.db2.gz IAYKDWQDAWVVJN-HZPDHXFCSA-N 1 1 385.439 3.570 20 5 GHBDMO C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000544442283 929187110 /nfs/dbraw/zinc/18/71/10/929187110.db2.gz IAYKDWQDAWVVJN-HZPDHXFCSA-N 1 1 385.439 3.570 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000467556644 929199728 /nfs/dbraw/zinc/19/97/28/929199728.db2.gz XRFJFDGVDVOBSF-LPHOPBHVSA-N 1 1 398.459 3.915 20 5 GHBDMO O=C(CC[N@@H+]1CCc2c(Cl)cccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000753917429 929590935 /nfs/dbraw/zinc/59/09/35/929590935.db2.gz PZLPYMOBKAOOAK-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO O=C(CC[N@H+]1CCc2c(Cl)cccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000753917429 929590937 /nfs/dbraw/zinc/59/09/37/929590937.db2.gz PZLPYMOBKAOOAK-UHFFFAOYSA-N 1 1 377.803 3.774 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000757167660 929668551 /nfs/dbraw/zinc/66/85/51/929668551.db2.gz IEWUSNJLWOIJJT-ZDUSSCGKSA-N 1 1 397.258 3.700 20 5 GHBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000757167660 929668554 /nfs/dbraw/zinc/66/85/54/929668554.db2.gz IEWUSNJLWOIJJT-ZDUSSCGKSA-N 1 1 397.258 3.700 20 5 GHBDMO C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000470120900 930389091 /nfs/dbraw/zinc/38/90/91/930389091.db2.gz NJNXYOUMWXFANL-GDBMZVCRSA-N 1 1 386.427 3.766 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470171175 930429169 /nfs/dbraw/zinc/42/91/69/930429169.db2.gz GJQXMCFRULMVBZ-LFIBNONCSA-N 1 1 383.448 3.967 20 5 GHBDMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470171175 930429173 /nfs/dbraw/zinc/42/91/73/930429173.db2.gz GJQXMCFRULMVBZ-LFIBNONCSA-N 1 1 383.448 3.967 20 5 GHBDMO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547242269 930838192 /nfs/dbraw/zinc/83/81/92/930838192.db2.gz LHMKVNLLIAGWLI-GOSISDBHSA-N 1 1 399.466 3.744 20 5 GHBDMO Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c(N2CCCC2)[nH+]1 ZINC000781441066 930848494 /nfs/dbraw/zinc/84/84/94/930848494.db2.gz PUNRMIWSRAUAQR-UHFFFAOYSA-N 1 1 389.843 3.874 20 5 GHBDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782511366 931248426 /nfs/dbraw/zinc/24/84/26/931248426.db2.gz USEAHAODGPGKED-LLVKDONJSA-N 1 1 393.365 3.960 20 5 GHBDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782511366 931248437 /nfs/dbraw/zinc/24/84/37/931248437.db2.gz USEAHAODGPGKED-LLVKDONJSA-N 1 1 393.365 3.960 20 5 GHBDMO C/C(=C\C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783927169 931719953 /nfs/dbraw/zinc/71/99/53/931719953.db2.gz YWSMWVPUTPRWPH-WUKNDPDISA-N 1 1 395.459 3.512 20 5 GHBDMO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000784031345 931761558 /nfs/dbraw/zinc/76/15/58/931761558.db2.gz VDQAMIONJISZNF-SFHVURJKSA-N 1 1 377.448 3.917 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739247 932203598 /nfs/dbraw/zinc/20/35/98/932203598.db2.gz FVWKRPXKRZVFHD-ZDUSSCGKSA-N 1 1 393.390 3.698 20 5 GHBDMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739247 932203606 /nfs/dbraw/zinc/20/36/06/932203606.db2.gz FVWKRPXKRZVFHD-ZDUSSCGKSA-N 1 1 393.390 3.698 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)c1 ZINC000558762565 932218493 /nfs/dbraw/zinc/21/84/93/932218493.db2.gz TWIRHUWOFUWTOA-SFHVURJKSA-N 1 1 397.475 3.560 20 5 GHBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnc2c(F)cccc2c1 ZINC000797280109 932239808 /nfs/dbraw/zinc/23/98/08/932239808.db2.gz MJOCISDDRHRHPC-SFHVURJKSA-N 1 1 395.390 3.713 20 5 GHBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnc2c(F)cccc2c1 ZINC000797280109 932239827 /nfs/dbraw/zinc/23/98/27/932239827.db2.gz MJOCISDDRHRHPC-SFHVURJKSA-N 1 1 395.390 3.713 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000926906452 932344110 /nfs/dbraw/zinc/34/41/10/932344110.db2.gz VXZWGRKFWKLCEW-ARFHVFGLSA-N 1 1 398.385 3.507 20 5 GHBDMO Cc1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c([N+](=O)[O-])c1 ZINC000558974533 932348397 /nfs/dbraw/zinc/34/83/97/932348397.db2.gz PPQHLXXECBPXKH-LJQANCHMSA-N 1 1 396.491 3.639 20 5 GHBDMO CSc1ccc(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000798522783 932686141 /nfs/dbraw/zinc/68/61/41/932686141.db2.gz BZBCFHHTBCKGHD-NRFANRHFSA-N 1 1 399.516 3.959 20 5 GHBDMO C[C@]1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000798528442 932693417 /nfs/dbraw/zinc/69/34/17/932693417.db2.gz QKWWCPZCRPDDNY-HXUWFJFHSA-N 1 1 387.867 3.890 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799227210 932925755 /nfs/dbraw/zinc/92/57/55/932925755.db2.gz YXDTYVMMTPBUKR-NRFANRHFSA-N 1 1 382.464 3.937 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000799362410 932972847 /nfs/dbraw/zinc/97/28/47/932972847.db2.gz OJHJZRIETPNKQS-INIZCTEOSA-N 1 1 393.484 3.600 20 5 GHBDMO Cn1ccnc1[C@@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560536888 933321779 /nfs/dbraw/zinc/32/17/79/933321779.db2.gz GCONNYJUYFNPMI-RTWAWAEBSA-N 1 1 397.523 3.804 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001116127032 933349844 /nfs/dbraw/zinc/34/98/44/933349844.db2.gz XVMMVURYCCTBMZ-ACJLOTCBSA-N 1 1 388.493 3.511 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001116448405 933565784 /nfs/dbraw/zinc/56/57/84/933565784.db2.gz UYEYWYVQTFYLDE-YLJYHZDGSA-N 1 1 385.439 3.834 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001116448405 933565790 /nfs/dbraw/zinc/56/57/90/933565790.db2.gz UYEYWYVQTFYLDE-YLJYHZDGSA-N 1 1 385.439 3.834 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000561532376 934246852 /nfs/dbraw/zinc/24/68/52/934246852.db2.gz PRIMYEGNEAAVJA-CQSZACIVSA-N 1 1 377.510 3.653 20 5 GHBDMO CC[C@H](c1ccccc1OC)[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000561958551 934585247 /nfs/dbraw/zinc/58/52/47/934585247.db2.gz XXJKSBVOMHTLCF-QGZVFWFLSA-N 1 1 399.447 3.985 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)c1 ZINC000931750992 934708064 /nfs/dbraw/zinc/70/80/64/934708064.db2.gz TVQKZYDTMWRBMY-GFCCVEGCSA-N 1 1 377.242 3.527 20 5 GHBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@@H](c3ncccn3)C2)c1 ZINC000931750992 934708068 /nfs/dbraw/zinc/70/80/68/934708068.db2.gz TVQKZYDTMWRBMY-GFCCVEGCSA-N 1 1 377.242 3.527 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1F ZINC000830010702 935890125 /nfs/dbraw/zinc/89/01/25/935890125.db2.gz YSBHVEUARKCNRH-DZGCQCFKSA-N 1 1 389.402 3.574 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000830285442 935926624 /nfs/dbraw/zinc/92/66/24/935926624.db2.gz KNWOKABGLXEEHF-OAHLLOKOSA-N 1 1 389.402 3.528 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000830285439 935926762 /nfs/dbraw/zinc/92/67/62/935926762.db2.gz KNWOKABGLXEEHF-HNNXBMFYSA-N 1 1 389.402 3.528 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000545403296 1015844213 /nfs/dbraw/zinc/84/42/13/1015844213.db2.gz XZNIBYXUPYMNFX-GOSISDBHSA-N 1 1 392.459 3.813 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000545403296 1015844220 /nfs/dbraw/zinc/84/42/20/1015844220.db2.gz XZNIBYXUPYMNFX-GOSISDBHSA-N 1 1 392.459 3.813 20 5 GHBDMO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470820792 1016898993 /nfs/dbraw/zinc/89/89/93/1016898993.db2.gz DRAXBTATGUCENO-NRFANRHFSA-N 1 1 395.503 3.995 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001227043207 1032248178 /nfs/dbraw/zinc/24/81/78/1032248178.db2.gz BIKGYTLXNQSTKN-INIZCTEOSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC001227043207 1032248191 /nfs/dbraw/zinc/24/81/91/1032248191.db2.gz BIKGYTLXNQSTKN-INIZCTEOSA-N 1 1 388.395 3.564 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001227046203 1032251071 /nfs/dbraw/zinc/25/10/71/1032251071.db2.gz GFKXZHNTRBVUOY-YWZLYKJASA-N 1 1 384.432 3.671 20 5 GHBDMO CCOC(=O)c1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001227297106 1032359874 /nfs/dbraw/zinc/35/98/74/1032359874.db2.gz LFJBHOBLVAXHAZ-SFHVURJKSA-N 1 1 384.432 3.815 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC001227298513 1032361343 /nfs/dbraw/zinc/36/13/43/1032361343.db2.gz RTPBZAGRJYZBEE-HNNXBMFYSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC001227298513 1032361351 /nfs/dbraw/zinc/36/13/51/1032361351.db2.gz RTPBZAGRJYZBEE-HNNXBMFYSA-N 1 1 390.823 3.688 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2c1 ZINC001227742638 1032538932 /nfs/dbraw/zinc/53/89/32/1032538932.db2.gz CGIUIJGMSSSWAP-RIFZZMRRSA-N 1 1 378.432 3.761 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)nc2c1 ZINC001227742639 1032539547 /nfs/dbraw/zinc/53/95/47/1032539547.db2.gz CGIUIJGMSSSWAP-WRWLIDTKSA-N 1 1 378.432 3.761 20 5 GHBDMO COC(=O)c1cccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001227895671 1032675689 /nfs/dbraw/zinc/67/56/89/1032675689.db2.gz BRZILDZSPVDBLL-OAHLLOKOSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001227895671 1032675697 /nfs/dbraw/zinc/67/56/97/1032675697.db2.gz BRZILDZSPVDBLL-OAHLLOKOSA-N 1 1 390.823 3.688 20 5 GHBDMO Cc1ccc([C@@H](C)NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000558064746 1017105081 /nfs/dbraw/zinc/10/50/81/1017105081.db2.gz JWVRTNFCNRCPHF-IAGOWNOFSA-N 1 1 384.480 3.784 20 5 GHBDMO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558736430 1017275368 /nfs/dbraw/zinc/27/53/68/1017275368.db2.gz YVAUIDZCDCMEGD-HNNXBMFYSA-N 1 1 385.489 3.597 20 5 GHBDMO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558736430 1017275382 /nfs/dbraw/zinc/27/53/82/1017275382.db2.gz YVAUIDZCDCMEGD-HNNXBMFYSA-N 1 1 385.489 3.597 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3cc([N+](=O)[O-])cc(F)c3F)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001228019130 1032740088 /nfs/dbraw/zinc/74/00/88/1032740088.db2.gz FGDABIJSLZSGTM-MORSLUCNSA-N 1 1 388.370 3.626 20 5 GHBDMO O=C1C[C@H]2C[C@@H](Oc3cc([N+](=O)[O-])cc(F)c3F)[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001228019130 1032740104 /nfs/dbraw/zinc/74/01/04/1032740104.db2.gz FGDABIJSLZSGTM-MORSLUCNSA-N 1 1 388.370 3.626 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932800819 1018677095 /nfs/dbraw/zinc/67/70/95/1018677095.db2.gz MLJUPJHWQZVWTH-IRXDYDNUSA-N 1 1 391.487 3.780 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932800814 1018677154 /nfs/dbraw/zinc/67/71/54/1018677154.db2.gz MHCYAJCNLYRJDF-SQBLYHGDSA-N 1 1 385.508 3.811 20 5 GHBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577990481 1020299746 /nfs/dbraw/zinc/29/97/46/1020299746.db2.gz QBAZQZOXVVFHNP-IBGZPJMESA-N 1 1 382.464 3.895 20 5 GHBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000801539312 1021410373 /nfs/dbraw/zinc/41/03/73/1021410373.db2.gz FOAUYKUFUWIZGR-ZMSDIMECSA-N 1 1 393.459 3.859 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000802654010 1021515015 /nfs/dbraw/zinc/51/50/15/1021515015.db2.gz DQMPEBIAJVDZRQ-FHVRUZERSA-N 1 1 375.469 3.845 20 5 GHBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000725753611 1022382808 /nfs/dbraw/zinc/38/28/08/1022382808.db2.gz HPDAKODIYNWIIF-SDNWHVSQSA-N 1 1 393.487 3.775 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000755067982 1023058745 /nfs/dbraw/zinc/05/87/45/1023058745.db2.gz VTGHYGMDZAIMLH-GOEBONIOSA-N 1 1 393.484 3.729 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000755782150 1023375189 /nfs/dbraw/zinc/37/51/89/1023375189.db2.gz JEUFCRSTIVCRJA-KRWDZBQOSA-N 1 1 384.432 3.672 20 5 GHBDMO COc1cc(C(=O)O[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000755877753 1023417101 /nfs/dbraw/zinc/41/71/01/1023417101.db2.gz ZEEIDCXYNLKDGS-YJBOKZPZSA-N 1 1 384.432 3.671 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000830958710 1024274070 /nfs/dbraw/zinc/27/40/70/1024274070.db2.gz WVODEEZHRHYWLN-FOZNTRSISA-N 1 1 395.887 3.591 20 5 GHBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000830958710 1024274083 /nfs/dbraw/zinc/27/40/83/1024274083.db2.gz WVODEEZHRHYWLN-FOZNTRSISA-N 1 1 395.887 3.591 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001229058673 1033254705 /nfs/dbraw/zinc/25/47/05/1033254705.db2.gz CEDDQFCAOIFEON-MRXNPFEDSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001229058673 1033254719 /nfs/dbraw/zinc/25/47/19/1033254719.db2.gz CEDDQFCAOIFEON-MRXNPFEDSA-N 1 1 390.823 3.688 20 5 GHBDMO CN(C)C(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC001461041897 1069355516 /nfs/dbraw/zinc/35/55/16/1069355516.db2.gz ULJNCICTJGMWMG-UHFFFAOYSA-N 1 1 379.416 3.846 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Nc3cc(C)sc3[N+](=O)[O-])C2)cc(OC)c1 ZINC001162763208 1025910598 /nfs/dbraw/zinc/91/05/98/1025910598.db2.gz QZRLAPFQTQVGHD-AWEZNQCLSA-N 1 1 377.466 3.668 20 5 GHBDMO CC1(Nc2cnc([N+](=O)[O-])cn2)C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001162855279 1025940474 /nfs/dbraw/zinc/94/04/74/1025940474.db2.gz ZIESYGKLJYOLFU-UHFFFAOYSA-N 1 1 375.432 3.661 20 5 GHBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1Br ZINC000839503156 1025990277 /nfs/dbraw/zinc/99/02/77/1025990277.db2.gz RAMHPHKPQJZJJR-HNNXBMFYSA-N 1 1 399.285 3.517 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001163173505 1026075302 /nfs/dbraw/zinc/07/53/02/1026075302.db2.gz QPVVZSUDYOAGHE-INIZCTEOSA-N 1 1 375.469 3.899 20 5 GHBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839589839 1026087991 /nfs/dbraw/zinc/08/79/91/1026087991.db2.gz OVYBKMCEKZBRCB-KYJSFNMBSA-N 1 1 395.887 3.592 20 5 GHBDMO C[N@@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2Br)[C@@H]1c1ccccc1 ZINC000839593991 1026095478 /nfs/dbraw/zinc/09/54/78/1026095478.db2.gz OTBOCUZBDBJDFS-QAPCUYQASA-N 1 1 390.281 3.892 20 5 GHBDMO C[N@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2Br)[C@@H]1c1ccccc1 ZINC000839593991 1026095491 /nfs/dbraw/zinc/09/54/91/1026095491.db2.gz OTBOCUZBDBJDFS-QAPCUYQASA-N 1 1 390.281 3.892 20 5 GHBDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000839644124 1026153742 /nfs/dbraw/zinc/15/37/42/1026153742.db2.gz USSXUNYKBKWVFA-SFHVURJKSA-N 1 1 394.258 3.531 20 5 GHBDMO CCCC[N@@H+](C)C[C@H](C)Nc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001163426550 1026189673 /nfs/dbraw/zinc/18/96/73/1026189673.db2.gz AYWFCVMYEBRQHV-LBPRGKRZSA-N 1 1 395.301 3.860 20 5 GHBDMO c1cnc2c(c1)ccc1ccc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nc12 ZINC001163895954 1026352640 /nfs/dbraw/zinc/35/26/40/1026352640.db2.gz BTBNKAMTLZUTKY-UHFFFAOYSA-N 1 1 398.466 3.834 20 5 GHBDMO CC(=O)Nc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1[N+](=O)[O-] ZINC001164491792 1026529466 /nfs/dbraw/zinc/52/94/66/1026529466.db2.gz GIQUPAHLUAAKKN-MISYRCLQSA-N 1 1 394.475 3.876 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001165181239 1026650217 /nfs/dbraw/zinc/65/02/17/1026650217.db2.gz HTXHDUCDOOPLJS-IERDGZPVSA-N 1 1 391.475 3.885 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001165181238 1026650520 /nfs/dbraw/zinc/65/05/20/1026650520.db2.gz HTXHDUCDOOPLJS-HRAATJIYSA-N 1 1 391.475 3.885 20 5 GHBDMO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ncc(Br)cc2Cl)cc1 ZINC001461158185 1069417669 /nfs/dbraw/zinc/41/76/69/1069417669.db2.gz DZNHRROGJOMSSO-UHFFFAOYSA-N 1 1 386.633 3.574 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)c2c1 ZINC000840114383 1027221234 /nfs/dbraw/zinc/22/12/34/1027221234.db2.gz HOSQEFOGJPHLKR-SQWLQELKSA-N 1 1 377.466 3.845 20 5 GHBDMO CC1(C)C(=O)N(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[C@@H]1c1ccncc1 ZINC000840125882 1027249181 /nfs/dbraw/zinc/24/91/81/1027249181.db2.gz QBNUSAQMDKRBRE-AZUAARDMSA-N 1 1 394.475 3.736 20 5 GHBDMO CC1(C)C(=O)N(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[C@@H]1c1ccncc1 ZINC000840125882 1027249195 /nfs/dbraw/zinc/24/91/95/1027249195.db2.gz QBNUSAQMDKRBRE-AZUAARDMSA-N 1 1 394.475 3.736 20 5 GHBDMO O[C@H]1CNCC[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001210400002 1027490876 /nfs/dbraw/zinc/49/08/76/1027490876.db2.gz OXSRVYONFJDQPV-HNNXBMFYSA-N 1 1 384.483 3.722 20 5 GHBDMO O[C@H]1C[NH2+]CCN(Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001210400002 1027490898 /nfs/dbraw/zinc/49/08/98/1027490898.db2.gz OXSRVYONFJDQPV-HNNXBMFYSA-N 1 1 384.483 3.722 20 5 GHBDMO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001142263747 1028522294 /nfs/dbraw/zinc/52/22/94/1028522294.db2.gz GDJKUUJXQVJDKO-KRWDZBQOSA-N 1 1 394.456 3.505 20 5 GHBDMO NC(=[NH2+])Nc1ccc(-c2nc(-c3ccc4ccc5cccnc5c4n3)no2)cc1 ZINC001215357282 1029172175 /nfs/dbraw/zinc/17/21/75/1029172175.db2.gz JDUQDQQWMISUQC-UHFFFAOYSA-N 1 1 381.399 3.805 20 5 GHBDMO COCc1cccc(-c2noc(-c3cc(-n4cc[nH+]c4C)ccc3[N+](=O)[O-])n2)c1 ZINC001216552866 1029683549 /nfs/dbraw/zinc/68/35/49/1029683549.db2.gz MEGOPSKGMXNOIG-UHFFFAOYSA-N 1 1 391.387 3.952 20 5 GHBDMO COc1cc(F)ccc1-c1noc(-c2cc(-n3cc[nH+]c3C)ccc2[N+](=O)[O-])n1 ZINC001216552458 1029683590 /nfs/dbraw/zinc/68/35/90/1029683590.db2.gz BRNBGVKBTUZABZ-UHFFFAOYSA-N 1 1 395.350 3.954 20 5 GHBDMO COC(=O)c1ccc(CO[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001223412169 1030563553 /nfs/dbraw/zinc/56/35/53/1030563553.db2.gz YKLCJXVEUNWHAC-IERDGZPVSA-N 1 1 398.459 3.809 20 5 GHBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001223448014 1030578339 /nfs/dbraw/zinc/57/83/39/1030578339.db2.gz FBHJIQFCGCMZIS-MAUKXSAKSA-N 1 1 399.447 3.519 20 5 GHBDMO C[NH2+][C@H]1C[C@@H](Oc2c(CC=C(C)C)c(O)cc3oc4ccc(O)cc4c(=O)c32)C1 ZINC001217956902 1030687124 /nfs/dbraw/zinc/68/71/24/1030687124.db2.gz ISHPILUDDQXYAA-OTVXOJSOSA-N 1 1 395.455 3.995 20 5 GHBDMO COC(=O)c1cc(CO[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001223688489 1030706022 /nfs/dbraw/zinc/70/60/22/1030706022.db2.gz NETHPBZYZWLKFU-FQEVSTJZSA-N 1 1 384.432 3.563 20 5 GHBDMO CCc1nc2c(c(O[C@@H](c3ccccc3)c3ccccc3[N+](=O)[O-])n1)C[NH2+]C2 ZINC001218442101 1030938222 /nfs/dbraw/zinc/93/82/22/1030938222.db2.gz OUNVSKABPXNAAW-FQEVSTJZSA-N 1 1 376.416 3.719 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001225593930 1031495391 /nfs/dbraw/zinc/49/53/91/1031495391.db2.gz DHASYQZWEOVZIU-HNNXBMFYSA-N 1 1 389.383 3.994 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC001225593930 1031495394 /nfs/dbraw/zinc/49/53/94/1031495394.db2.gz DHASYQZWEOVZIU-HNNXBMFYSA-N 1 1 389.383 3.994 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1c[nH]c2cccnc21 ZINC001153244918 1031509856 /nfs/dbraw/zinc/50/98/56/1031509856.db2.gz FDTCYADGTNKDER-UHFFFAOYSA-N 1 1 397.438 3.820 20 5 GHBDMO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001225890023 1031678291 /nfs/dbraw/zinc/67/82/91/1031678291.db2.gz WPAQZHUNPLZBLS-OAHLLOKOSA-N 1 1 375.356 3.686 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC001153802896 1031748489 /nfs/dbraw/zinc/74/84/89/1031748489.db2.gz JCESSFZSLVSIDX-SFHVURJKSA-N 1 1 396.491 3.810 20 5 GHBDMO COC(=O)Cc1ccc(O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001226215577 1031856923 /nfs/dbraw/zinc/85/69/23/1031856923.db2.gz ZJUQDFARTSXASZ-HRAATJIYSA-N 1 1 398.459 3.600 20 5 GHBDMO COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O[C@@H](C)C[N+](C)(C)C ZINC001230087616 1033892432 /nfs/dbraw/zinc/89/24/32/1033892432.db2.gz YVKXTWVCERZHCM-AWEZNQCLSA-O 1 1 384.452 3.648 20 5 GHBDMO Cc1ccc(O[C@@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230490494 1034086877 /nfs/dbraw/zinc/08/68/77/1034086877.db2.gz BRKMAVQVVAWNMR-HUUCEWRRSA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1ccc(O[C@@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230490494 1034086892 /nfs/dbraw/zinc/08/68/92/1034086892.db2.gz BRKMAVQVVAWNMR-HUUCEWRRSA-N 1 1 386.408 3.811 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231055652 1034368314 /nfs/dbraw/zinc/36/83/14/1034368314.db2.gz LZYYKQBVWYJSTR-HNAYVOBHSA-N 1 1 378.432 3.827 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]2C1 ZINC001207711365 1034539481 /nfs/dbraw/zinc/53/94/81/1034539481.db2.gz BWNNWMOHCZRBGS-HUUCEWRRSA-N 1 1 395.887 3.937 20 5 GHBDMO COc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C2)n1 ZINC001232227677 1035173216 /nfs/dbraw/zinc/17/32/16/1035173216.db2.gz LBPAFXZWCUNPBH-LJQANCHMSA-N 1 1 386.455 3.840 20 5 GHBDMO CN1CC[NH+](CCCNc2cnc3c4ccccc4c4ccccc4c3n2)CC1 ZINC001161703876 1035287332 /nfs/dbraw/zinc/28/73/32/1035287332.db2.gz PORVWFGBGOBUTL-UHFFFAOYSA-N 1 1 385.515 3.986 20 5 GHBDMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001248662013 1036036296 /nfs/dbraw/zinc/03/62/96/1036036296.db2.gz GPBCDMGGMHYLOK-ROUUACIJSA-N 1 1 396.491 3.819 20 5 GHBDMO [NH3+][C@@H](Cc1ccc(O)cc1)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247669069 1038303562 /nfs/dbraw/zinc/30/35/62/1038303562.db2.gz LFLUXJDWMVHZNY-KRWDZBQOSA-N 1 1 383.411 3.781 20 5 GHBDMO C[C@H](Oc1c2cccnc2ccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233778088 1039609341 /nfs/dbraw/zinc/60/93/41/1039609341.db2.gz FXYQOWIHULODNT-HRAATJIYSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@H](Oc1c2cccnc2ccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233778088 1039609347 /nfs/dbraw/zinc/60/93/47/1039609347.db2.gz FXYQOWIHULODNT-HRAATJIYSA-N 1 1 393.443 3.811 20 5 GHBDMO O=C(CC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001253434821 1039636235 /nfs/dbraw/zinc/63/62/35/1039636235.db2.gz QUDCJLMXTHWFIR-OAHLLOKOSA-N 1 1 393.447 3.679 20 5 GHBDMO O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001278731205 1039711590 /nfs/dbraw/zinc/71/15/90/1039711590.db2.gz VOOFDTIGEHFQSN-KRWDZBQOSA-N 1 1 376.416 3.604 20 5 GHBDMO Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc(C)[nH+]1 ZINC001253839319 1039848149 /nfs/dbraw/zinc/84/81/49/1039848149.db2.gz XQNXBKWYMOTHDS-UHFFFAOYSA-N 1 1 384.617 3.697 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001254552296 1040320445 /nfs/dbraw/zinc/32/04/45/1040320445.db2.gz KCGKYNPRDZSLCH-HOTGVXAUSA-N 1 1 377.485 3.857 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254552440 1040321181 /nfs/dbraw/zinc/32/11/81/1040321181.db2.gz LRGSCERHONBIEH-BFYDXBDKSA-N 1 1 377.485 3.761 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001254553549 1040322961 /nfs/dbraw/zinc/32/29/61/1040322961.db2.gz XGTDDZJEUOGXIJ-RYQLBKOJSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001254562974 1040336943 /nfs/dbraw/zinc/33/69/43/1040336943.db2.gz VHNWXPBPQYAAGA-CVDCTZTESA-N 1 1 395.503 3.897 20 5 GHBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001254562974 1040336953 /nfs/dbraw/zinc/33/69/53/1040336953.db2.gz VHNWXPBPQYAAGA-CVDCTZTESA-N 1 1 395.503 3.897 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001254571331 1040347501 /nfs/dbraw/zinc/34/75/01/1040347501.db2.gz SNZYXAYKICYWAY-XLIONFOSSA-N 1 1 382.460 3.981 20 5 GHBDMO O=[N+]([O-])c1cc2c[nH]nc2c(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255397591 1040983642 /nfs/dbraw/zinc/98/36/42/1040983642.db2.gz WBABEIMVSYBQAM-CQSZACIVSA-N 1 1 390.403 3.511 20 5 GHBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001292070649 1043582367 /nfs/dbraw/zinc/58/23/67/1043582367.db2.gz HGYFNKNLZNFHDH-FUHWJXTLSA-N 1 1 375.513 3.790 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001293958761 1044394838 /nfs/dbraw/zinc/39/48/38/1044394838.db2.gz GMVZLYIPRUHFEG-HNNXBMFYSA-N 1 1 379.526 3.805 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001287507338 1048798775 /nfs/dbraw/zinc/79/87/75/1048798775.db2.gz LXVLJECBQRMZDK-KRWDZBQOSA-N 1 1 381.476 3.778 20 5 GHBDMO CC(C)[C@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCS1 ZINC001307496078 1049335485 /nfs/dbraw/zinc/33/54/85/1049335485.db2.gz RUXMLVQOMALCCR-CQSZACIVSA-N 1 1 382.873 3.872 20 5 GHBDMO CC(C)[C@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCS1 ZINC001307496078 1049335500 /nfs/dbraw/zinc/33/55/00/1049335500.db2.gz RUXMLVQOMALCCR-CQSZACIVSA-N 1 1 382.873 3.872 20 5 GHBDMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000752930068 1049359715 /nfs/dbraw/zinc/35/97/15/1049359715.db2.gz VOWSFHPAHPEPSQ-UHFFFAOYSA-N 1 1 399.438 3.505 20 5 GHBDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001307545534 1049388707 /nfs/dbraw/zinc/38/87/07/1049388707.db2.gz XNJINSHSBZJXBI-IAGOWNOFSA-N 1 1 381.448 3.588 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC001307804109 1049602670 /nfs/dbraw/zinc/60/26/70/1049602670.db2.gz ZDLYGVJDVRSVQA-RVKKMQEKSA-N 1 1 383.448 3.808 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)N2CCCc3c4[nH+]cn(C)c4ccc32)cccc1[N+](=O)[O-] ZINC001308155240 1049890468 /nfs/dbraw/zinc/89/04/68/1049890468.db2.gz HUWHXCLMJMRJBY-CQSZACIVSA-N 1 1 393.447 3.570 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC001308527321 1049999186 /nfs/dbraw/zinc/99/91/86/1049999186.db2.gz FJKCJUXPZINSBX-UHFFFAOYSA-N 1 1 395.381 3.991 20 5 GHBDMO CCOC(=O)[C@@]1(F)C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001308857830 1050126719 /nfs/dbraw/zinc/12/67/19/1050126719.db2.gz AAJGMZOIZOYGMX-ZRGSNEMSSA-N 1 1 376.428 3.755 20 5 GHBDMO CCOC(=O)[C@@]1(F)C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001308857830 1050126725 /nfs/dbraw/zinc/12/67/25/1050126725.db2.gz AAJGMZOIZOYGMX-ZRGSNEMSSA-N 1 1 376.428 3.755 20 5 GHBDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1 ZINC001308886487 1050140413 /nfs/dbraw/zinc/14/04/13/1050140413.db2.gz PLXHIFNODTXFOZ-UHFFFAOYSA-N 1 1 387.867 3.951 20 5 GHBDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)cn1 ZINC001331049312 1051178110 /nfs/dbraw/zinc/17/81/10/1051178110.db2.gz RLEHSCWWLLMYMJ-QNBRMCRTSA-N 1 1 392.463 3.560 20 5 GHBDMO CCOc1cc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001310945758 1051723599 /nfs/dbraw/zinc/72/35/99/1051723599.db2.gz XUKOUVLZZKUBKR-MAUKXSAKSA-N 1 1 398.463 3.636 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001335694077 1052151575 /nfs/dbraw/zinc/15/15/75/1052151575.db2.gz ADDCHBXNZBFHRW-MJXNMMHHSA-N 1 1 386.427 3.540 20 5 GHBDMO C[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001313135554 1052965966 /nfs/dbraw/zinc/96/59/66/1052965966.db2.gz CSVKDLIIIWRLPT-UWVAXJGDSA-N 1 1 396.491 3.723 20 5 GHBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001319459108 1055260569 /nfs/dbraw/zinc/26/05/69/1055260569.db2.gz WVACRVYITVIQNN-WMZOPIPTSA-N 1 1 396.491 3.667 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320792980 1055963128 /nfs/dbraw/zinc/96/31/28/1055963128.db2.gz MCIHDKHIRGSWOE-LPHOPBHVSA-N 1 1 386.427 3.918 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320792980 1055963129 /nfs/dbraw/zinc/96/31/29/1055963129.db2.gz MCIHDKHIRGSWOE-LPHOPBHVSA-N 1 1 386.427 3.918 20 5 GHBDMO CCOc1cc(N2CC[NH+](Cc3cc(C)ccc3OC)CC2)ccc1[N+](=O)[O-] ZINC001472643926 1056640313 /nfs/dbraw/zinc/64/03/13/1056640313.db2.gz MEIHBELOUXPEKV-UHFFFAOYSA-N 1 1 385.464 3.633 20 5 GHBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001322405132 1056680898 /nfs/dbraw/zinc/68/08/98/1056680898.db2.gz VMKVDMOYAORBAW-UHFFFAOYSA-N 1 1 393.447 3.638 20 5 GHBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC001354515888 1056732890 /nfs/dbraw/zinc/73/28/90/1056732890.db2.gz SLJSXEJUEFRKHK-SFHVURJKSA-N 1 1 399.516 3.982 20 5 GHBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001323004573 1056906852 /nfs/dbraw/zinc/90/68/52/1056906852.db2.gz PZUYQPBEIXWHMA-RDJZCZTQSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001323004573 1056906856 /nfs/dbraw/zinc/90/68/56/1056906856.db2.gz PZUYQPBEIXWHMA-RDJZCZTQSA-N 1 1 377.803 3.563 20 5 GHBDMO COc1cc(C)c(C[N@H+](C)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)cc1OC ZINC000848473009 1057110853 /nfs/dbraw/zinc/11/08/53/1057110853.db2.gz ABKMPSCAXLPCNX-UHFFFAOYSA-N 1 1 396.447 3.873 20 5 GHBDMO COc1cc(C)c(C[N@@H+](C)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)cc1OC ZINC000848473009 1057110857 /nfs/dbraw/zinc/11/08/57/1057110857.db2.gz ABKMPSCAXLPCNX-UHFFFAOYSA-N 1 1 396.447 3.873 20 5 GHBDMO C[C@H](CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC001355308598 1057114028 /nfs/dbraw/zinc/11/40/28/1057114028.db2.gz BWJDXIUUYWYYMW-MAODMQOUSA-N 1 1 381.476 3.725 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC001325315733 1057311423 /nfs/dbraw/zinc/31/14/23/1057311423.db2.gz FZPFHUPLUNBCRN-QGZVFWFLSA-N 1 1 399.466 3.880 20 5 GHBDMO C[NH2+][C@@H](C)CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001325624380 1057346778 /nfs/dbraw/zinc/34/67/78/1057346778.db2.gz DROZXIVIZWYEAX-INIZCTEOSA-N 1 1 379.464 3.535 20 5 GHBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001442521108 1058971500 /nfs/dbraw/zinc/97/15/00/1058971500.db2.gz GGUNITOGZWNVFS-OAHLLOKOSA-N 1 1 387.402 3.998 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC001448730741 1060255055 /nfs/dbraw/zinc/25/50/55/1060255055.db2.gz CKTQSUZIHIRTAC-UHFFFAOYSA-N 1 1 382.445 3.741 20 5 GHBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC001340938942 1060267485 /nfs/dbraw/zinc/26/74/85/1060267485.db2.gz CQMKSPZGZRPHIK-OAHLLOKOSA-N 1 1 396.447 3.738 20 5 GHBDMO C[N@@H+](Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3N)sc2c1)C1CC1 ZINC001453102786 1061078577 /nfs/dbraw/zinc/07/85/77/1061078577.db2.gz BBIOVRXLOFVJSJ-UHFFFAOYSA-N 1 1 397.460 3.633 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC001453322775 1061109518 /nfs/dbraw/zinc/10/95/18/1061109518.db2.gz MOOMOKLINQFNTP-QGZVFWFLSA-N 1 1 382.464 3.941 20 5 GHBDMO CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457538554 1063231036 /nfs/dbraw/zinc/23/10/36/1063231036.db2.gz PFBXLUBJNWULTD-LJQANCHMSA-N 1 1 395.503 3.995 20 5 GHBDMO CC[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001457743389 1063339551 /nfs/dbraw/zinc/33/95/51/1063339551.db2.gz ONTHDYQCGVADRU-KRWDZBQOSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001457743389 1063339574 /nfs/dbraw/zinc/33/95/74/1063339574.db2.gz ONTHDYQCGVADRU-KRWDZBQOSA-N 1 1 387.867 3.985 20 5 GHBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001436371560 1063410033 /nfs/dbraw/zinc/41/00/33/1063410033.db2.gz QCHAAXIMYAUHGW-UHFFFAOYSA-N 1 1 385.439 3.827 20 5 GHBDMO COC(=O)/C=C/c1ccc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001458152715 1063607139 /nfs/dbraw/zinc/60/71/39/1063607139.db2.gz PHKAPAOBRUXBPD-TUPIDYKKSA-N 1 1 375.469 3.703 20 5 GHBDMO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC001436939602 1063715107 /nfs/dbraw/zinc/71/51/07/1063715107.db2.gz ZJWZSXAYRPMVFV-CEQIKUNHSA-N 1 1 397.450 3.570 20 5 GHBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001458402643 1063785101 /nfs/dbraw/zinc/78/51/01/1063785101.db2.gz AYWFCVMYEBRQHV-GFCCVEGCSA-N 1 1 395.301 3.860 20 5 GHBDMO CCNc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001438196333 1064004304 /nfs/dbraw/zinc/00/43/04/1064004304.db2.gz HVNJQGXPVUBSGH-INIZCTEOSA-N 1 1 382.464 3.546 20 5 GHBDMO C[NH+](C)[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC001463560247 1064460977 /nfs/dbraw/zinc/46/09/77/1064460977.db2.gz KIHQJTPFSBBBPI-GOSISDBHSA-N 1 1 393.846 3.739 20 5 GHBDMO CC(C)(C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001464926166 1065275799 /nfs/dbraw/zinc/27/57/99/1065275799.db2.gz BDXPXMZJGKLSBS-UHFFFAOYSA-N 1 1 395.503 3.995 20 5 GHBDMO CC(C)(C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001464926166 1065275804 /nfs/dbraw/zinc/27/58/04/1065275804.db2.gz BDXPXMZJGKLSBS-UHFFFAOYSA-N 1 1 395.503 3.995 20 5 GHBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001465625671 1065754615 /nfs/dbraw/zinc/75/46/15/1065754615.db2.gz QYEMMZCYMFCHIJ-INIZCTEOSA-N 1 1 384.436 3.945 20 5 GHBDMO CCOc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001466997083 1066435421 /nfs/dbraw/zinc/43/54/21/1066435421.db2.gz PLIOCIXFXHBTLT-INIZCTEOSA-N 1 1 398.463 3.732 20 5 GHBDMO CCOc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001466997083 1066435425 /nfs/dbraw/zinc/43/54/25/1066435425.db2.gz PLIOCIXFXHBTLT-INIZCTEOSA-N 1 1 398.463 3.732 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001357631841 1067206577 /nfs/dbraw/zinc/20/65/77/1067206577.db2.gz RPIOSEFQULUCQU-YLJYHZDGSA-N 1 1 393.487 3.968 20 5 GHBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001467549334 1067353223 /nfs/dbraw/zinc/35/32/23/1067353223.db2.gz PSIVZPAZAYWJFT-MRXNPFEDSA-N 1 1 382.464 3.944 20 5 GHBDMO Cc1ccc(CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001469206122 1068027776 /nfs/dbraw/zinc/02/77/76/1068027776.db2.gz HCQYUAKIIJQODU-KRWDZBQOSA-N 1 1 384.480 3.613 20 5 GHBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001361047567 1068751348 /nfs/dbraw/zinc/75/13/48/1068751348.db2.gz FQKZJTGJHMDRQN-KXBFYZLASA-N 1 1 399.516 3.957 20 5 GHBDMO CCNc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001361047413 1068751599 /nfs/dbraw/zinc/75/15/99/1068751599.db2.gz AXVAYBSUCOSJRC-APWZRJJASA-N 1 1 396.491 3.667 20 5 GHBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2Cc2cccc(Br)c2)c1 ZINC001460288393 1068908186 /nfs/dbraw/zinc/90/81/86/1068908186.db2.gz YWMARNSDDWQRRL-INIZCTEOSA-N 1 1 393.285 3.651 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001460332934 1068929328 /nfs/dbraw/zinc/92/93/28/1068929328.db2.gz CJGCZOWIBPWCRL-LJQANCHMSA-N 1 1 376.840 3.740 20 5 GHBDMO CC(C)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001460430631 1068962288 /nfs/dbraw/zinc/96/22/88/1068962288.db2.gz JHRMGKGKTKCJIT-NRFANRHFSA-N 1 1 398.463 3.845 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc3cc[nH]c3c2)c([N+](=O)[O-])c1 ZINC001460681606 1069082660 /nfs/dbraw/zinc/08/26/60/1069082660.db2.gz ZSEBEONUMPQEKN-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc3cc[nH]c3c2)c([N+](=O)[O-])c1 ZINC001460681606 1069082664 /nfs/dbraw/zinc/08/26/64/1069082664.db2.gz ZSEBEONUMPQEKN-UHFFFAOYSA-N 1 1 382.420 3.545 20 5 GHBDMO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC001460705896 1069103429 /nfs/dbraw/zinc/10/34/29/1069103429.db2.gz NYNGRGNPYWKAAJ-INIZCTEOSA-N 1 1 393.447 3.524 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC001460760460 1069162014 /nfs/dbraw/zinc/16/20/14/1069162014.db2.gz LVZHJAVHFGNSPR-UHFFFAOYSA-N 1 1 384.432 3.547 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC001460760460 1069162018 /nfs/dbraw/zinc/16/20/18/1069162018.db2.gz LVZHJAVHFGNSPR-UHFFFAOYSA-N 1 1 384.432 3.547 20 5 GHBDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001460877527 1069247042 /nfs/dbraw/zinc/24/70/42/1069247042.db2.gz DHVOOUFBHKJGMQ-MRXNPFEDSA-N 1 1 393.484 3.600 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001460883761 1069252087 /nfs/dbraw/zinc/25/20/87/1069252087.db2.gz UZPYFOHXWWJVLE-OAHLLOKOSA-N 1 1 393.484 3.730 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)cc1Cl ZINC001471553982 1073130652 /nfs/dbraw/zinc/13/06/52/1073130652.db2.gz FFGBSNVMJNERRX-UHFFFAOYSA-N 1 1 397.903 3.520 20 5 GHBDMO CC1(C)C[N@H+](C2(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CCCCC2)CCO1 ZINC001472691595 1073622149 /nfs/dbraw/zinc/62/21/49/1073622149.db2.gz SMLTYRZYALUHJX-UHFFFAOYSA-N 1 1 392.456 3.729 20 5 GHBDMO CC[N@@H+](CCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C1CCCCC1 ZINC001472824982 1073683534 /nfs/dbraw/zinc/68/35/34/1073683534.db2.gz QABQGJAAHWUZHL-UHFFFAOYSA-N 1 1 388.512 3.944 20 5 GHBDMO COc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)c1 ZINC001472857697 1073697048 /nfs/dbraw/zinc/69/70/48/1073697048.db2.gz DSFBMCUSDQZGGF-UHFFFAOYSA-N 1 1 377.391 3.863 20 5 GHBDMO O=C(NC1CCCC1)OC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001473526307 1074002105 /nfs/dbraw/zinc/00/21/05/1074002105.db2.gz OKOFRNASIOGPEE-IBGZPJMESA-N 1 1 375.469 3.661 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001473526457 1074002152 /nfs/dbraw/zinc/00/21/52/1074002152.db2.gz GIHVIYZPVNYDDS-GOEBONIOSA-N 1 1 393.484 3.586 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)cc1 ZINC001473582524 1074030082 /nfs/dbraw/zinc/03/00/82/1074030082.db2.gz OLRDFJPANQUJDI-YADHBBJMSA-N 1 1 384.476 3.822 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001473620964 1074051935 /nfs/dbraw/zinc/05/19/35/1074051935.db2.gz DDIHGGGHDRTURW-MRXNPFEDSA-N 1 1 375.469 3.834 20 5 GHBDMO CC(C)[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001473645066 1074064102 /nfs/dbraw/zinc/06/41/02/1074064102.db2.gz JELLPAWFIJMZDZ-NRFANRHFSA-N 1 1 393.491 3.814 20 5 GHBDMO O=C(C[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001473713231 1074102972 /nfs/dbraw/zinc/10/29/72/1074102972.db2.gz MUALKQBEOFKSFV-OIISXLGYSA-N 1 1 385.851 3.922 20 5 GHBDMO O=C(C[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001473713231 1074102974 /nfs/dbraw/zinc/10/29/74/1074102974.db2.gz MUALKQBEOFKSFV-OIISXLGYSA-N 1 1 385.851 3.922 20 5 GHBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC001473720692 1074106418 /nfs/dbraw/zinc/10/64/18/1074106418.db2.gz AJFUBPJFRRZBLZ-LSDHHAIUSA-N 1 1 393.447 3.678 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001473773641 1074135783 /nfs/dbraw/zinc/13/57/83/1074135783.db2.gz XEGUVPITEKVYEV-LSDHHAIUSA-N 1 1 385.468 3.648 20 5 GHBDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001473773641 1074135785 /nfs/dbraw/zinc/13/57/85/1074135785.db2.gz XEGUVPITEKVYEV-LSDHHAIUSA-N 1 1 385.468 3.648 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c(Br)c1 ZINC001473820751 1074160123 /nfs/dbraw/zinc/16/01/23/1074160123.db2.gz FQNBVOYNBISPIT-CQSZACIVSA-N 1 1 383.286 3.996 20 5 GHBDMO Cc1csc(C[C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC001473824560 1074160860 /nfs/dbraw/zinc/16/08/60/1074160860.db2.gz NAKPDJHTGWMQFD-LBPRGKRZSA-N 1 1 394.884 3.516 20 5 GHBDMO Cc1csc(C[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC001473824560 1074160862 /nfs/dbraw/zinc/16/08/62/1074160862.db2.gz NAKPDJHTGWMQFD-LBPRGKRZSA-N 1 1 394.884 3.516 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001473870111 1074183029 /nfs/dbraw/zinc/18/30/29/1074183029.db2.gz GVSJNOFMDWFRJY-FQEVSTJZSA-N 1 1 391.468 3.579 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001473870111 1074183035 /nfs/dbraw/zinc/18/30/35/1074183035.db2.gz GVSJNOFMDWFRJY-FQEVSTJZSA-N 1 1 391.468 3.579 20 5 GHBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001473960231 1074218580 /nfs/dbraw/zinc/21/85/80/1074218580.db2.gz FIKSRUJIWSMOTC-UHFFFAOYSA-N 1 1 386.429 3.548 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](CC2CCCCC2)C2CC2)cc1[N+](=O)[O-] ZINC001474363300 1074364476 /nfs/dbraw/zinc/36/44/76/1074364476.db2.gz IMOCKCDNZLDQCM-UHFFFAOYSA-N 1 1 376.453 3.691 20 5 GHBDMO CC[C@H](C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CC=CCC1 ZINC001495998367 1079445394 /nfs/dbraw/zinc/44/53/94/1079445394.db2.gz QQNAFOLQMQWPBX-KRWDZBQOSA-N 1 1 398.511 3.598 20 5 GHBDMO CC(C)[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824289130 608531155 /nfs/dbraw/zinc/53/11/55/608531155.db2.gz VAJRAIROEXQUPN-ALCCZGGFSA-N 1 1 378.436 3.699 20 5 GHBDMO O=[N+]([O-])c1ccc2ncc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2c1 ZINC001164623476 719061593 /nfs/dbraw/zinc/06/15/93/719061593.db2.gz JMBLRFFLZJPGNO-UWJYYQICSA-N 1 1 389.459 3.639 20 5 GHBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc(C)c2[N+](=O)[O-])CC3)cs1 ZINC001164692408 719806007 /nfs/dbraw/zinc/80/60/07/719806007.db2.gz OAWHOZNVIXGGBT-UHFFFAOYSA-N 1 1 387.509 3.698 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)s1 ZINC000180800058 837562254 /nfs/dbraw/zinc/56/22/54/837562254.db2.gz SZYOVZZCBHHUNW-HNNXBMFYSA-N 1 1 383.477 3.827 20 5 GHBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000430159001 834664839 /nfs/dbraw/zinc/66/48/39/834664839.db2.gz ZONDVDLMRGJSRR-KKSFZXQISA-N 1 1 392.459 3.793 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000412214665 837816751 /nfs/dbraw/zinc/81/67/51/837816751.db2.gz GODKOLQAZSXTHL-PXNSSMCTSA-N 1 1 383.448 3.557 20 5 GHBDMO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000120204585 834882382 /nfs/dbraw/zinc/88/23/82/834882382.db2.gz RWVTWUOEEUJCNE-ZDUSSCGKSA-N 1 1 382.869 3.509 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000610187817 834883915 /nfs/dbraw/zinc/88/39/15/834883915.db2.gz LPCLONHPUJPMBZ-INIZCTEOSA-N 1 1 379.526 3.899 20 5 GHBDMO CC(C)(COCc1ccccc1)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000500822553 844042400 /nfs/dbraw/zinc/04/24/00/844042400.db2.gz LUQZKUXXMODWRQ-UHFFFAOYSA-N 1 1 382.420 3.730 20 5 GHBDMO CC[C@@H](O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000134491170 835753539 /nfs/dbraw/zinc/75/35/39/835753539.db2.gz URKUGTMRMZKGDH-LJQANCHMSA-N 1 1 385.464 3.505 20 5 GHBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134536512 835780217 /nfs/dbraw/zinc/78/02/17/835780217.db2.gz CXCUVIORGWLGCI-GOSISDBHSA-N 1 1 391.830 3.954 20 5 GHBDMO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000509781510 835783552 /nfs/dbraw/zinc/78/35/52/835783552.db2.gz IEAXOZBMMQGGRJ-SFHVURJKSA-N 1 1 381.476 3.511 20 5 GHBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000611815087 835855310 /nfs/dbraw/zinc/85/53/10/835855310.db2.gz AIWXUUBKEISVGE-OAHLLOKOSA-N 1 1 398.385 3.916 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC(C)=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000548930126 836234538 /nfs/dbraw/zinc/23/45/38/836234538.db2.gz NUWLDPOFGXPLMS-UHFFFAOYSA-N 1 1 385.420 3.704 20 5 GHBDMO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180171467 836464849 /nfs/dbraw/zinc/46/48/49/836464849.db2.gz IACZMKZUEOTZJD-QHCPKHFHSA-N 1 1 389.455 3.932 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000548952676 836558755 /nfs/dbraw/zinc/55/87/55/836558755.db2.gz SLCMRQBHIXAZLF-DOTOQJQBSA-N 1 1 383.448 3.559 20 5 GHBDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000892586108 836781760 /nfs/dbraw/zinc/78/17/60/836781760.db2.gz ZWDXJNUKJJJFFA-OKILXGFUSA-N 1 1 390.871 3.547 20 5 GHBDMO C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC000175779353 837000680 /nfs/dbraw/zinc/00/06/80/837000680.db2.gz WKPDYPBEYJDQGW-QAPCUYQASA-N 1 1 394.475 3.945 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471299106 837117275 /nfs/dbraw/zinc/11/72/75/837117275.db2.gz YLXSTLFGEODMMB-INIZCTEOSA-N 1 1 387.867 3.809 20 5 GHBDMO CCOc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000186311594 837155147 /nfs/dbraw/zinc/15/51/47/837155147.db2.gz OMNJUOQZUTXCRH-IBGZPJMESA-N 1 1 397.475 3.730 20 5 GHBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000065140988 844241474 /nfs/dbraw/zinc/24/14/74/844241474.db2.gz YBBUXIMSXADMGL-HNAYVOBHSA-N 1 1 394.475 3.734 20 5 GHBDMO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000414330209 837164721 /nfs/dbraw/zinc/16/47/21/837164721.db2.gz BHDVBCKBMHXDRB-DZFGPLHGSA-N 1 1 392.459 3.820 20 5 GHBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000065142434 844241917 /nfs/dbraw/zinc/24/19/17/844241917.db2.gz HIBJMRABQXTZKS-XHSDSOJGSA-N 1 1 393.553 3.948 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])cc1OC ZINC000180505756 837311135 /nfs/dbraw/zinc/31/11/35/837311135.db2.gz FQYCZXAGLPJHMP-ZBFHGGJFSA-N 1 1 392.477 3.762 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC([C@H](O)c4ccc(F)cc4)CC3)nc2c1 ZINC000177064487 837854821 /nfs/dbraw/zinc/85/48/21/837854821.db2.gz CPTVYYHNTMWOEJ-HXUWFJFHSA-N 1 1 385.395 3.821 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189323028 838253242 /nfs/dbraw/zinc/25/32/42/838253242.db2.gz VHVKYKQXCJILND-OAHLLOKOSA-N 1 1 383.448 3.594 20 5 GHBDMO CCn1ccc(C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)n1 ZINC000414480968 838517389 /nfs/dbraw/zinc/51/73/89/838517389.db2.gz KWXKUZFPKUNTGD-UHFFFAOYSA-N 1 1 396.447 3.689 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275760300 838755692 /nfs/dbraw/zinc/75/56/92/838755692.db2.gz ZOZUXYIDYPSUHP-GFCCVEGCSA-N 1 1 397.425 3.586 20 5 GHBDMO COCC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000104661978 838835086 /nfs/dbraw/zinc/83/50/86/838835086.db2.gz JQMAWAHXLMSYKQ-UHFFFAOYSA-N 1 1 381.432 3.941 20 5 GHBDMO C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+]1CCCC[C@H]1C ZINC000064916804 839156955 /nfs/dbraw/zinc/15/69/55/839156955.db2.gz KZCKYNGSVGKMSR-ZIAGYGMSSA-N 1 1 388.493 3.711 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472706418 839220636 /nfs/dbraw/zinc/22/06/36/839220636.db2.gz QLGKRLHMJYFLCY-OAHLLOKOSA-N 1 1 386.452 3.636 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000610445975 839721521 /nfs/dbraw/zinc/72/15/21/839721521.db2.gz MFVPZBXCOAPBTR-SFHVURJKSA-N 1 1 396.491 3.520 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412124554 839731283 /nfs/dbraw/zinc/73/12/83/839731283.db2.gz QEYBLUVGELSXIK-KJNZLNQQSA-N 1 1 385.508 3.811 20 5 GHBDMO CCc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000610445668 839744722 /nfs/dbraw/zinc/74/47/22/839744722.db2.gz BYXKIAXEDFIKKV-QGZVFWFLSA-N 1 1 381.476 3.894 20 5 GHBDMO CC(C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(Cl)c1F ZINC000473451376 844476609 /nfs/dbraw/zinc/47/66/09/844476609.db2.gz RJNQRQQHTXLMHD-UHFFFAOYSA-N 1 1 391.830 3.801 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@H]2CCO)ccc1Oc1ccc(F)cc1 ZINC000535800169 844477937 /nfs/dbraw/zinc/47/79/37/844477937.db2.gz UDWZOZIAFDGPGS-MRXNPFEDSA-N 1 1 392.452 3.826 20 5 GHBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@H]2CCO)ccc1Oc1ccc(F)cc1 ZINC000535800169 844477941 /nfs/dbraw/zinc/47/79/41/844477941.db2.gz UDWZOZIAFDGPGS-MRXNPFEDSA-N 1 1 392.452 3.826 20 5 GHBDMO Cc1ccccc1OCCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000579743543 839881604 /nfs/dbraw/zinc/88/16/04/839881604.db2.gz GJQRKJVUUWWATP-HXUWFJFHSA-N 1 1 380.448 3.785 20 5 GHBDMO COc1c(O)ccc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020211 839952165 /nfs/dbraw/zinc/95/21/65/839952165.db2.gz NUOYCWHAKXPYJW-CXAGYDPISA-N 1 1 391.493 3.543 20 5 GHBDMO COc1c(O)ccc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020211 839952170 /nfs/dbraw/zinc/95/21/70/839952170.db2.gz NUOYCWHAKXPYJW-CXAGYDPISA-N 1 1 391.493 3.543 20 5 GHBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000066854690 840269661 /nfs/dbraw/zinc/26/96/61/840269661.db2.gz SYRHEAJELXGCPV-ZDUSSCGKSA-N 1 1 380.370 3.892 20 5 GHBDMO Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000581209293 840854372 /nfs/dbraw/zinc/85/43/72/840854372.db2.gz LSTPRZTYKFLZMR-FPOVZHCZSA-N 1 1 384.476 3.598 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001266688808 840942322 /nfs/dbraw/zinc/94/23/22/840942322.db2.gz WITVRBZMYVWUHB-IEBWSBKVSA-N 1 1 381.476 3.852 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510422507 841358717 /nfs/dbraw/zinc/35/87/17/841358717.db2.gz ADGGPFWJOAMLSN-SFHVURJKSA-N 1 1 393.447 3.529 20 5 GHBDMO Cc1cc(N2CCC(CCCN3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302099184 861204063 /nfs/dbraw/zinc/20/40/63/861204063.db2.gz UIIQCTCXBPDWCF-UHFFFAOYSA-N 1 1 398.507 3.780 20 5 GHBDMO O=[N+]([O-])c1cnc(NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)nc1 ZINC000302157317 861223681 /nfs/dbraw/zinc/22/36/81/861223681.db2.gz NIQSHZDJSOYRPG-KRWDZBQOSA-N 1 1 381.461 3.658 20 5 GHBDMO O=[N+]([O-])c1cnc(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)nc1 ZINC000302157317 861223696 /nfs/dbraw/zinc/22/36/96/861223696.db2.gz NIQSHZDJSOYRPG-KRWDZBQOSA-N 1 1 381.461 3.658 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178056453 841658818 /nfs/dbraw/zinc/65/88/18/841658818.db2.gz UJKAOPMASNVZGO-HNNXBMFYSA-N 1 1 387.867 3.890 20 5 GHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178056453 841658819 /nfs/dbraw/zinc/65/88/19/841658819.db2.gz UJKAOPMASNVZGO-HNNXBMFYSA-N 1 1 387.867 3.890 20 5 GHBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)ccc1[N+](=O)[O-] ZINC000489800283 861248354 /nfs/dbraw/zinc/24/83/54/861248354.db2.gz BFANNGLITFUIDC-CYBMUJFWSA-N 1 1 398.385 3.735 20 5 GHBDMO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccnc3c2cccc3[N+](=O)[O-])cc1 ZINC000432335641 842080366 /nfs/dbraw/zinc/08/03/66/842080366.db2.gz LJJXQQDDDRAMLZ-HXUWFJFHSA-N 1 1 392.459 3.937 20 5 GHBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000510462196 842160124 /nfs/dbraw/zinc/16/01/24/842160124.db2.gz WAICACDPDPINKQ-BXUZGUMPSA-N 1 1 398.301 3.611 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000408305262 842182559 /nfs/dbraw/zinc/18/25/59/842182559.db2.gz INZQNJLLCCSTKV-MBNYWOFBSA-N 1 1 383.290 3.594 20 5 GHBDMO Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000533818610 842218042 /nfs/dbraw/zinc/21/80/42/842218042.db2.gz RKWFJLXJERAMDC-HNNXBMFYSA-N 1 1 379.420 3.640 20 5 GHBDMO Cc1ccccc1-c1cnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000533818610 842218051 /nfs/dbraw/zinc/21/80/51/842218051.db2.gz RKWFJLXJERAMDC-HNNXBMFYSA-N 1 1 379.420 3.640 20 5 GHBDMO CC(C)NC(=O)c1ccc(NCCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000603859805 861285777 /nfs/dbraw/zinc/28/57/77/861285777.db2.gz WGWBGUCGTBCFLR-INIZCTEOSA-N 1 1 376.501 3.800 20 5 GHBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000432413944 842423354 /nfs/dbraw/zinc/42/33/54/842423354.db2.gz PDKUGWQGHPGHDT-IAGOWNOFSA-N 1 1 381.542 3.556 20 5 GHBDMO C[NH+](C)Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1Br ZINC000467033139 842717921 /nfs/dbraw/zinc/71/79/21/842717921.db2.gz AZITXJMXGKIVHZ-UHFFFAOYSA-N 1 1 384.255 3.733 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429805351 842732032 /nfs/dbraw/zinc/73/20/32/842732032.db2.gz ARSCUZIMIJQWHH-IYBDPMFKSA-N 1 1 375.513 3.745 20 5 GHBDMO COc1ccc([C@H]2CC[N@@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)cc1 ZINC000728900896 842915617 /nfs/dbraw/zinc/91/56/17/842915617.db2.gz SHSIUFUEWWONDA-SFHVURJKSA-N 1 1 378.432 3.914 20 5 GHBDMO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1 ZINC000510540303 842927771 /nfs/dbraw/zinc/92/77/71/842927771.db2.gz VANYWLRVNAQWKV-FQEVSTJZSA-N 1 1 391.427 3.918 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCSC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000430767538 842956361 /nfs/dbraw/zinc/95/63/61/842956361.db2.gz XLINRWRKEZFACG-UHFFFAOYSA-N 1 1 393.509 3.684 20 5 GHBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000512196251 843038064 /nfs/dbraw/zinc/03/80/64/843038064.db2.gz OBYJMFSEICHDNN-SFHVURJKSA-N 1 1 382.464 3.593 20 5 GHBDMO COc1ccc(C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000105026075 843162892 /nfs/dbraw/zinc/16/28/92/843162892.db2.gz VYJZABLAZCTRPK-UHFFFAOYSA-N 1 1 389.839 3.860 20 5 GHBDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000105026075 843162904 /nfs/dbraw/zinc/16/29/04/843162904.db2.gz VYJZABLAZCTRPK-UHFFFAOYSA-N 1 1 389.839 3.860 20 5 GHBDMO CC(C)N(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843695596 843288449 /nfs/dbraw/zinc/28/84/49/843288449.db2.gz GGGOIVOTBFCBTO-GOSISDBHSA-N 1 1 385.439 3.859 20 5 GHBDMO CCOCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599626432 861413529 /nfs/dbraw/zinc/41/35/29/861413529.db2.gz VWELODCVJDEGTD-IBGZPJMESA-N 1 1 383.448 3.559 20 5 GHBDMO CCOCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599626432 861413536 /nfs/dbraw/zinc/41/35/36/861413536.db2.gz VWELODCVJDEGTD-IBGZPJMESA-N 1 1 383.448 3.559 20 5 GHBDMO Cc1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000893589532 843418025 /nfs/dbraw/zinc/41/80/25/843418025.db2.gz KBHOXJDXTNWUHI-GOSISDBHSA-N 1 1 376.460 3.807 20 5 GHBDMO Cc1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000893589532 843418030 /nfs/dbraw/zinc/41/80/30/843418030.db2.gz KBHOXJDXTNWUHI-GOSISDBHSA-N 1 1 376.460 3.807 20 5 GHBDMO Cc1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000893589532 843418035 /nfs/dbraw/zinc/41/80/35/843418035.db2.gz KBHOXJDXTNWUHI-GOSISDBHSA-N 1 1 376.460 3.807 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000610676610 843497649 /nfs/dbraw/zinc/49/76/49/843497649.db2.gz FHUFYRHSQWHRPU-KRWDZBQOSA-N 1 1 393.447 3.875 20 5 GHBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000610676610 843497654 /nfs/dbraw/zinc/49/76/54/843497654.db2.gz FHUFYRHSQWHRPU-KRWDZBQOSA-N 1 1 393.447 3.875 20 5 GHBDMO COc1cc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000510806919 843515577 /nfs/dbraw/zinc/51/55/77/843515577.db2.gz RCLYTAQRVZRYCO-MRXNPFEDSA-N 1 1 397.475 3.765 20 5 GHBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001126285283 843637646 /nfs/dbraw/zinc/63/76/46/843637646.db2.gz AXVGUWHTGVODSP-OAQYLSRUSA-N 1 1 393.487 3.797 20 5 GHBDMO C[C@@H](c1ccc2ccccc2c1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247518933 843826576 /nfs/dbraw/zinc/82/65/76/843826576.db2.gz NELMRTYTJBJWKC-BTYIYWSLSA-N 1 1 380.448 3.531 20 5 GHBDMO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599660936 861493308 /nfs/dbraw/zinc/49/33/08/861493308.db2.gz QNKFLEUONRXRTL-MRXNPFEDSA-N 1 1 384.480 3.506 20 5 GHBDMO O=[N+]([O-])c1ccc2nc(Nc3ccc(CC[NH+]4CCOCC4)cc3)sc2c1 ZINC000731208648 861512826 /nfs/dbraw/zinc/51/28/26/861512826.db2.gz BXGLPQPRNXIWIK-UHFFFAOYSA-N 1 1 384.461 3.823 20 5 GHBDMO CCc1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000471989108 844944992 /nfs/dbraw/zinc/94/49/92/844944992.db2.gz QZZOSYXCWYFHLJ-UHFFFAOYSA-N 1 1 395.503 3.938 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056341682 861526309 /nfs/dbraw/zinc/52/63/09/861526309.db2.gz BXBXJHWHKGNKJR-UHFFFAOYSA-N 1 1 390.390 3.659 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c(Cl)c1 ZINC000474946116 861545491 /nfs/dbraw/zinc/54/54/91/861545491.db2.gz TWUOWZLRYPLOTL-UHFFFAOYSA-N 1 1 378.219 3.772 20 5 GHBDMO COc1ccccc1CC[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000513496574 845534109 /nfs/dbraw/zinc/53/41/09/845534109.db2.gz HFKBTNLMRVUDKZ-UHFFFAOYSA-N 1 1 396.390 3.888 20 5 GHBDMO C[C@@H](CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000491591524 861648534 /nfs/dbraw/zinc/64/85/34/861648534.db2.gz MCBRZTFNWJPFLJ-KRWDZBQOSA-N 1 1 393.491 3.735 20 5 GHBDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000157805367 846208034 /nfs/dbraw/zinc/20/80/34/846208034.db2.gz AAKYMFIXTDQWCE-HNNXBMFYSA-N 1 1 380.404 3.643 20 5 GHBDMO C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000280162518 846315147 /nfs/dbraw/zinc/31/51/47/846315147.db2.gz IDOOGSKQUYTABX-INIZCTEOSA-N 1 1 395.459 3.554 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119892522 846465019 /nfs/dbraw/zinc/46/50/19/846465019.db2.gz PJBYUYWIPFERMI-UHFFFAOYSA-N 1 1 380.448 3.846 20 5 GHBDMO COc1ccc(C[N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)cc1[N+](=O)[O-] ZINC000051472247 846497460 /nfs/dbraw/zinc/49/74/60/846497460.db2.gz ZGIIUQVZXNCPKG-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)cc1[N+](=O)[O-] ZINC000051472247 846497467 /nfs/dbraw/zinc/49/74/67/846497467.db2.gz ZGIIUQVZXNCPKG-UHFFFAOYSA-N 1 1 382.363 3.845 20 5 GHBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)COCc1ccccc1 ZINC000513703523 846518886 /nfs/dbraw/zinc/51/88/86/846518886.db2.gz WTLQXCYIXSEVIE-UWJYYQICSA-N 1 1 394.475 3.860 20 5 GHBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3F)C2)ccn1 ZINC000856533252 881341396 /nfs/dbraw/zinc/34/13/96/881341396.db2.gz QRMVHWQFHNCWJU-KRWDZBQOSA-N 1 1 388.443 3.547 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000501261230 846775294 /nfs/dbraw/zinc/77/52/94/846775294.db2.gz YVBGUFNTDIGHHI-GOEBONIOSA-N 1 1 385.489 3.882 20 5 GHBDMO CCCn1nccc1C1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000501563916 847023665 /nfs/dbraw/zinc/02/36/65/847023665.db2.gz YVQLOMWBKDJYOB-UHFFFAOYSA-N 1 1 376.432 3.729 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511109923 847058969 /nfs/dbraw/zinc/05/89/69/847058969.db2.gz WKFUZKWGSNDQQK-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511109923 847058975 /nfs/dbraw/zinc/05/89/75/847058975.db2.gz WKFUZKWGSNDQQK-CYBMUJFWSA-N 1 1 391.855 3.758 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000478336673 847059977 /nfs/dbraw/zinc/05/99/77/847059977.db2.gz FJTGBWKQHQIKGA-HNNXBMFYSA-N 1 1 377.460 3.851 20 5 GHBDMO Cc1nn(C)c(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000127718822 847349534 /nfs/dbraw/zinc/34/95/34/847349534.db2.gz WRDDDPFRVPQXEL-UHFFFAOYSA-N 1 1 385.468 3.654 20 5 GHBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000277679764 847540838 /nfs/dbraw/zinc/54/08/38/847540838.db2.gz IPVZBLMYCHTPIA-MRXNPFEDSA-N 1 1 377.488 3.944 20 5 GHBDMO C[N@@H+](Cc1ccc(Br)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000023990775 847809600 /nfs/dbraw/zinc/80/96/00/847809600.db2.gz KRJFWPVJAAKBEQ-UHFFFAOYSA-N 1 1 375.226 3.797 20 5 GHBDMO C[N@H+](Cc1ccc(Br)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000023990775 847809610 /nfs/dbraw/zinc/80/96/10/847809610.db2.gz KRJFWPVJAAKBEQ-UHFFFAOYSA-N 1 1 375.226 3.797 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303673513 861833237 /nfs/dbraw/zinc/83/32/37/861833237.db2.gz XKMUWUHECGQOTD-KURKYZTESA-N 1 1 388.512 3.508 20 5 GHBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000582742774 848260434 /nfs/dbraw/zinc/26/04/34/848260434.db2.gz MJCXAUQRTRYPPV-GFCCVEGCSA-N 1 1 389.506 3.985 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000162678811 861886181 /nfs/dbraw/zinc/88/61/81/861886181.db2.gz YRSSPHUVBFIEGF-KBXCAEBGSA-N 1 1 389.521 3.796 20 5 GHBDMO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612482556 848632169 /nfs/dbraw/zinc/63/21/69/848632169.db2.gz FJXQFZNJEPAONU-AEFFLSMTSA-N 1 1 399.466 3.866 20 5 GHBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000278019834 848886855 /nfs/dbraw/zinc/88/68/55/848886855.db2.gz GHZWUHRPSZMEQY-UHFFFAOYSA-N 1 1 381.388 3.728 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000248140044 849377827 /nfs/dbraw/zinc/37/78/27/849377827.db2.gz YIEZFOXKBACDGT-MOPGFXCFSA-N 1 1 382.464 3.575 20 5 GHBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132358411 862031200 /nfs/dbraw/zinc/03/12/00/862031200.db2.gz PGGMQTYHZXDGNF-IRXDYDNUSA-N 1 1 385.489 3.783 20 5 GHBDMO CCc1ccc([C@H]2CN(C(=O)[C@@H](CC)Cc3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000505572484 849904917 /nfs/dbraw/zinc/90/49/17/849904917.db2.gz KQEISMTZYFDHJS-SIKLNZKXSA-N 1 1 395.503 3.899 20 5 GHBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C2)C1 ZINC000505627479 850216786 /nfs/dbraw/zinc/21/67/86/850216786.db2.gz DACYYGDOVBMBPQ-JOCHJYFZSA-N 1 1 394.475 3.896 20 5 GHBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000435327594 850360212 /nfs/dbraw/zinc/36/02/12/850360212.db2.gz HXVBKCGLZLLWEH-GHMZBOCLSA-N 1 1 399.289 3.612 20 5 GHBDMO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000487061042 850398567 /nfs/dbraw/zinc/39/85/67/850398567.db2.gz MMJMVIPTDIKUAB-UHFFFAOYSA-N 1 1 393.390 3.732 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000487061042 850398577 /nfs/dbraw/zinc/39/85/77/850398577.db2.gz MMJMVIPTDIKUAB-UHFFFAOYSA-N 1 1 393.390 3.732 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000439913787 850579071 /nfs/dbraw/zinc/57/90/71/850579071.db2.gz WZFUBRYFARSCNS-LPHOPBHVSA-N 1 1 384.436 3.560 20 5 GHBDMO CCCCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC001167959655 850779228 /nfs/dbraw/zinc/77/92/28/850779228.db2.gz PCAMMSBWULONON-ROUUACIJSA-N 1 1 377.485 3.839 20 5 GHBDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000132574303 862169377 /nfs/dbraw/zinc/16/93/77/862169377.db2.gz GBVWOQMRZFZDCW-OAHLLOKOSA-N 1 1 398.488 3.881 20 5 GHBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000604446071 862185846 /nfs/dbraw/zinc/18/58/46/862185846.db2.gz BVLALQVCBQEGFD-CABCVRRESA-N 1 1 397.903 3.786 20 5 GHBDMO C[C@@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000425422837 851022867 /nfs/dbraw/zinc/02/28/67/851022867.db2.gz YIUIWOKCKHVXNE-LKUPVBHCSA-N 1 1 394.475 3.572 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000488040473 851100353 /nfs/dbraw/zinc/10/03/53/851100353.db2.gz KMPAFQPCSFLCEX-CYBMUJFWSA-N 1 1 375.400 3.510 20 5 GHBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000488040473 851100357 /nfs/dbraw/zinc/10/03/57/851100357.db2.gz KMPAFQPCSFLCEX-CYBMUJFWSA-N 1 1 375.400 3.510 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000604474370 862214842 /nfs/dbraw/zinc/21/48/42/862214842.db2.gz CPNADCOPIYTBMB-IBGZPJMESA-N 1 1 396.491 3.648 20 5 GHBDMO CCc1ccc([C@@H](CO)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000425456980 851195946 /nfs/dbraw/zinc/19/59/46/851195946.db2.gz KDPIUVGIKDMZEG-MRXNPFEDSA-N 1 1 379.254 3.743 20 5 GHBDMO C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@H+]1CCCC[C@@H]1C ZINC000436095232 851212863 /nfs/dbraw/zinc/21/28/63/851212863.db2.gz AMKQLJWQPUWHJM-GJZGRUSLSA-N 1 1 395.478 3.813 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000570119774 851397331 /nfs/dbraw/zinc/39/73/31/851397331.db2.gz JWJNEUJCXSZFOG-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000570119774 851397340 /nfs/dbraw/zinc/39/73/40/851397340.db2.gz JWJNEUJCXSZFOG-NVXWUHKLSA-N 1 1 383.448 3.810 20 5 GHBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436282812 851405990 /nfs/dbraw/zinc/40/59/90/851405990.db2.gz KBZFZVQAQAQGKO-UZLBHIALSA-N 1 1 388.512 3.699 20 5 GHBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000436282812 851406004 /nfs/dbraw/zinc/40/60/04/851406004.db2.gz KBZFZVQAQAQGKO-UZLBHIALSA-N 1 1 388.512 3.699 20 5 GHBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436282809 851406601 /nfs/dbraw/zinc/40/66/01/851406601.db2.gz KBZFZVQAQAQGKO-OXJNMPFZSA-N 1 1 388.512 3.699 20 5 GHBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000436282809 851406606 /nfs/dbraw/zinc/40/66/06/851406606.db2.gz KBZFZVQAQAQGKO-OXJNMPFZSA-N 1 1 388.512 3.699 20 5 GHBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000488398575 851467292 /nfs/dbraw/zinc/46/72/92/851467292.db2.gz QJEHBVPGAVZKGL-ZDUSSCGKSA-N 1 1 391.269 3.636 20 5 GHBDMO Cc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488747684 851748616 /nfs/dbraw/zinc/74/86/16/851748616.db2.gz ASIKRKXPMZXXLP-OAHLLOKOSA-N 1 1 381.480 3.671 20 5 GHBDMO Cc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473773574 851907754 /nfs/dbraw/zinc/90/77/54/851907754.db2.gz DDRZPACANMCOGY-SJLPKXTDSA-N 1 1 382.464 3.935 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC(c4ccc(F)c(F)c4)CC3)n2)cc1 ZINC000729466658 852008356 /nfs/dbraw/zinc/00/83/56/852008356.db2.gz XHXJEPMZQVHTHT-UHFFFAOYSA-N 1 1 399.401 3.969 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOc4ccc(F)cc4C3)o2)c1 ZINC000489164679 852066722 /nfs/dbraw/zinc/06/67/22/852066722.db2.gz XRNSFTJLGWDDRS-UHFFFAOYSA-N 1 1 383.379 3.826 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000729471171 852174291 /nfs/dbraw/zinc/17/42/91/852174291.db2.gz WCAOWDPDRCKNCP-INIZCTEOSA-N 1 1 398.463 3.628 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000729471171 852174296 /nfs/dbraw/zinc/17/42/96/852174296.db2.gz WCAOWDPDRCKNCP-INIZCTEOSA-N 1 1 398.463 3.628 20 5 GHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000516316324 852417064 /nfs/dbraw/zinc/41/70/64/852417064.db2.gz PBYGKIIOCINVPO-UHFFFAOYSA-N 1 1 385.464 3.520 20 5 GHBDMO COC(=O)C1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000505897730 852471661 /nfs/dbraw/zinc/47/16/61/852471661.db2.gz IKPJGCKCQNPHEV-UHFFFAOYSA-N 1 1 383.448 3.748 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438501742 852491980 /nfs/dbraw/zinc/49/19/80/852491980.db2.gz MFSAUBSCCMYKKW-OAQYLSRUSA-N 1 1 383.448 3.596 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000489711108 852539899 /nfs/dbraw/zinc/53/98/99/852539899.db2.gz SGCJGCXLEQOKNH-AWEZNQCLSA-N 1 1 382.386 3.769 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000505906371 852546015 /nfs/dbraw/zinc/54/60/15/852546015.db2.gz NQDJQEKVDTUSSC-IAGOWNOFSA-N 1 1 391.537 3.800 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000505934846 852620661 /nfs/dbraw/zinc/62/06/61/852620661.db2.gz FBJJKKFUYPXQCV-CVEARBPZSA-N 1 1 384.480 3.803 20 5 GHBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000505930693 852628414 /nfs/dbraw/zinc/62/84/14/852628414.db2.gz QTFJXRBMUJAPDD-LSDHHAIUSA-N 1 1 379.526 3.947 20 5 GHBDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000489871500 852639291 /nfs/dbraw/zinc/63/92/91/852639291.db2.gz JLHLUCZPQVBWDZ-CYBMUJFWSA-N 1 1 398.385 3.606 20 5 GHBDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000481842862 862382390 /nfs/dbraw/zinc/38/23/90/862382390.db2.gz QIOXFDGMLMCCHP-ZDUSSCGKSA-N 1 1 381.274 3.544 20 5 GHBDMO C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000490003613 852699722 /nfs/dbraw/zinc/69/97/22/852699722.db2.gz NFRWTKKOVCXDMA-CVEARBPZSA-N 1 1 388.512 3.782 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490085512 852763154 /nfs/dbraw/zinc/76/31/54/852763154.db2.gz WUQXQOGYAGRICU-WBVHZDCISA-N 1 1 383.448 3.728 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490085512 852763158 /nfs/dbraw/zinc/76/31/58/852763158.db2.gz WUQXQOGYAGRICU-WBVHZDCISA-N 1 1 383.448 3.728 20 5 GHBDMO Cc1c(CC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000516692235 852872039 /nfs/dbraw/zinc/87/20/39/852872039.db2.gz GQKXGTOORZMJOQ-FQEVSTJZSA-N 1 1 395.503 3.864 20 5 GHBDMO CCCC[N@H+](CC(N)=O)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000509564963 852969336 /nfs/dbraw/zinc/96/93/36/852969336.db2.gz RDDGLUHJOLGCKB-UHFFFAOYSA-N 1 1 375.400 3.614 20 5 GHBDMO CCCC[N@@H+](CC(N)=O)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000509564963 852969340 /nfs/dbraw/zinc/96/93/40/852969340.db2.gz RDDGLUHJOLGCKB-UHFFFAOYSA-N 1 1 375.400 3.614 20 5 GHBDMO Cc1cc(F)cc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000151050755 852998868 /nfs/dbraw/zinc/99/88/68/852998868.db2.gz CBEHRHMBECEKOA-MRXNPFEDSA-N 1 1 385.439 3.779 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cc(OC)c1 ZINC000490551306 853087483 /nfs/dbraw/zinc/08/74/83/853087483.db2.gz YIBLBDWFWBPHJF-OAHLLOKOSA-N 1 1 389.427 3.828 20 5 GHBDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cc(OC)c1 ZINC000490551306 853087488 /nfs/dbraw/zinc/08/74/88/853087488.db2.gz YIBLBDWFWBPHJF-OAHLLOKOSA-N 1 1 389.427 3.828 20 5 GHBDMO COc1cc(C[N@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490613438 853137475 /nfs/dbraw/zinc/13/74/75/853137475.db2.gz JTMWGYIFRTXUDI-ZDUSSCGKSA-N 1 1 390.452 3.965 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000518296473 853172954 /nfs/dbraw/zinc/17/29/54/853172954.db2.gz USUPZVPVXYYPBI-IBGZPJMESA-N 1 1 388.512 3.781 20 5 GHBDMO C[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000437480267 853184410 /nfs/dbraw/zinc/18/44/10/853184410.db2.gz XVXKUJPCDPIKHI-QGZVFWFLSA-N 1 1 399.516 3.810 20 5 GHBDMO C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490779284 853256103 /nfs/dbraw/zinc/25/61/03/853256103.db2.gz AYIWYONJUHKCOS-AEFFLSMTSA-N 1 1 399.516 3.714 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000491136115 853454890 /nfs/dbraw/zinc/45/48/90/853454890.db2.gz OZJHSLMDAFCIIY-HNNXBMFYSA-N 1 1 377.510 3.511 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102569 853645493 /nfs/dbraw/zinc/64/54/93/853645493.db2.gz FZIOPFRIHWOECM-CQSZACIVSA-N 1 1 399.447 3.516 20 5 GHBDMO C[N@H+]1CCC[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301452912 854884120 /nfs/dbraw/zinc/88/41/20/854884120.db2.gz XYDYGPKQDYCSKN-KPZWWZAWSA-N 1 1 399.476 3.800 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000535549652 854969842 /nfs/dbraw/zinc/96/98/42/854969842.db2.gz FORYLXFOGRHRTG-MSOLQXFVSA-N 1 1 380.510 3.869 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000165881365 855312602 /nfs/dbraw/zinc/31/26/02/855312602.db2.gz GJNYHEOHMDHEDQ-HXUWFJFHSA-N 1 1 397.475 3.913 20 5 GHBDMO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000590196233 855317457 /nfs/dbraw/zinc/31/74/57/855317457.db2.gz STTUJLIKUMSPLU-BFUOFWGJSA-N 1 1 389.402 3.715 20 5 GHBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000590174928 855323852 /nfs/dbraw/zinc/32/38/52/855323852.db2.gz KCZKQQZJCIUBAW-GOSISDBHSA-N 1 1 391.349 3.709 20 5 GHBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1C1CCCCC1 ZINC000131667089 855355254 /nfs/dbraw/zinc/35/52/54/855355254.db2.gz QTZCOAAJXAPVNX-GOSISDBHSA-N 1 1 383.448 3.878 20 5 GHBDMO COc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000015485942 855433304 /nfs/dbraw/zinc/43/33/04/855433304.db2.gz QLJNYGGXGYLUQF-UHFFFAOYSA-N 1 1 389.839 3.860 20 5 GHBDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000015485942 855433315 /nfs/dbraw/zinc/43/33/15/855433315.db2.gz QLJNYGGXGYLUQF-UHFFFAOYSA-N 1 1 389.839 3.860 20 5 GHBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000554180980 855852674 /nfs/dbraw/zinc/85/26/74/855852674.db2.gz HSWMDDMNBLJTSH-FQEVSTJZSA-N 1 1 383.448 3.860 20 5 GHBDMO C[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000520660212 855951206 /nfs/dbraw/zinc/95/12/06/855951206.db2.gz JUOGKVZFDNLDEH-CYBMUJFWSA-N 1 1 395.381 3.864 20 5 GHBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000171708845 856236759 /nfs/dbraw/zinc/23/67/59/856236759.db2.gz GUECLEJTLXAWPB-HNNXBMFYSA-N 1 1 397.500 3.960 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000171708849 856237114 /nfs/dbraw/zinc/23/71/14/856237114.db2.gz GUECLEJTLXAWPB-OAHLLOKOSA-N 1 1 397.500 3.960 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3c(C)cccc3[N+](=O)[O-])C2)s1 ZINC000554863014 856302122 /nfs/dbraw/zinc/30/21/22/856302122.db2.gz UQZQPRBCNLOUSK-MRXNPFEDSA-N 1 1 387.505 3.867 20 5 GHBDMO CCOc1ccc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000499436078 856317901 /nfs/dbraw/zinc/31/79/01/856317901.db2.gz NESPOEQNSIBYQU-IAGOWNOFSA-N 1 1 397.475 3.729 20 5 GHBDMO CCOc1ccc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000499436078 856317907 /nfs/dbraw/zinc/31/79/07/856317907.db2.gz NESPOEQNSIBYQU-IAGOWNOFSA-N 1 1 397.475 3.729 20 5 GHBDMO CC(C)C(=O)N1CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000265639894 856429389 /nfs/dbraw/zinc/42/93/89/856429389.db2.gz JJPKUFVGHFPRHW-UHFFFAOYSA-N 1 1 378.472 3.637 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000172553668 856476083 /nfs/dbraw/zinc/47/60/83/856476083.db2.gz RIMIBHNDPLIKEQ-INIZCTEOSA-N 1 1 398.463 3.732 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000173113303 856746705 /nfs/dbraw/zinc/74/67/05/856746705.db2.gz UNZKVSQSWNNNDK-XLIONFOSSA-N 1 1 381.476 3.649 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000507994418 856771792 /nfs/dbraw/zinc/77/17/92/856771792.db2.gz FKIVOMCJPVPKQF-MRXNPFEDSA-N 1 1 398.463 3.548 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000507994418 856771797 /nfs/dbraw/zinc/77/17/97/856771797.db2.gz FKIVOMCJPVPKQF-MRXNPFEDSA-N 1 1 398.463 3.548 20 5 GHBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000427832781 856782284 /nfs/dbraw/zinc/78/22/84/856782284.db2.gz UZOQMAKMQQDMSI-APWZRJJASA-N 1 1 397.475 3.901 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C[C@H](C)O)cc1OC ZINC000542918263 856810651 /nfs/dbraw/zinc/81/06/51/856810651.db2.gz WCRCBFUFFQTKER-YQQAZPJKSA-N 1 1 380.485 3.764 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c(Br)cc1O ZINC000592380008 856824322 /nfs/dbraw/zinc/82/43/22/856824322.db2.gz HXTQSOAZLPEBBR-UHFFFAOYSA-N 1 1 381.226 3.670 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(Br)cc1O ZINC000592380128 856825903 /nfs/dbraw/zinc/82/59/03/856825903.db2.gz MFZCRJYTFUQWCN-UHFFFAOYSA-N 1 1 381.226 3.670 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441819703 856828981 /nfs/dbraw/zinc/82/89/81/856828981.db2.gz KZOOHQUSQUXQOJ-AWEZNQCLSA-N 1 1 383.473 3.713 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000429240998 856895407 /nfs/dbraw/zinc/89/54/07/856895407.db2.gz YBSIXIOEIUXKSA-UHFFFAOYSA-N 1 1 397.353 3.957 20 5 GHBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001128960640 857100528 /nfs/dbraw/zinc/10/05/28/857100528.db2.gz CAIHYXNEBXUMFV-HNNXBMFYSA-N 1 1 387.867 3.842 20 5 GHBDMO C[N@H+](CCc1cccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000173759896 857135956 /nfs/dbraw/zinc/13/59/56/857135956.db2.gz BHHRZTQSXQTYAS-UHFFFAOYSA-N 1 1 398.282 3.532 20 5 GHBDMO C[N@@H+](CCc1cccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000173759896 857135959 /nfs/dbraw/zinc/13/59/59/857135959.db2.gz BHHRZTQSXQTYAS-UHFFFAOYSA-N 1 1 398.282 3.532 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000429244901 857167789 /nfs/dbraw/zinc/16/77/89/857167789.db2.gz AHNMIFFQVUBELX-UHFFFAOYSA-N 1 1 375.400 3.596 20 5 GHBDMO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174230925 857229395 /nfs/dbraw/zinc/22/93/95/857229395.db2.gz IEBWTLMHOCFQAX-STQMWFEESA-N 1 1 375.400 3.729 20 5 GHBDMO CCOC[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000246140943 857248101 /nfs/dbraw/zinc/24/81/01/857248101.db2.gz GERPGAHEDJTIRG-LAUBAEHRSA-N 1 1 397.475 3.941 20 5 GHBDMO CCOC[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000246140943 857248112 /nfs/dbraw/zinc/24/81/12/857248112.db2.gz GERPGAHEDJTIRG-LAUBAEHRSA-N 1 1 397.475 3.941 20 5 GHBDMO COc1cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(F)cc1[N+](=O)[O-] ZINC000485990714 857320713 /nfs/dbraw/zinc/32/07/13/857320713.db2.gz BARVOFIYLCAEGB-KDOFPFPSSA-N 1 1 381.354 3.878 20 5 GHBDMO COc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(F)cc1[N+](=O)[O-] ZINC000485990714 857320731 /nfs/dbraw/zinc/32/07/31/857320731.db2.gz BARVOFIYLCAEGB-KDOFPFPSSA-N 1 1 381.354 3.878 20 5 GHBDMO COc1ccc(C[NH+]2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)cc1[N+](=O)[O-] ZINC000593076685 857338215 /nfs/dbraw/zinc/33/82/15/857338215.db2.gz DNKCTOYCJMBBNQ-BBRMVZONSA-N 1 1 386.452 3.565 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000593077445 857339366 /nfs/dbraw/zinc/33/93/66/857339366.db2.gz QEAILUXVLSKBQO-CXAGYDPISA-N 1 1 386.452 3.565 20 5 GHBDMO Cc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000486031279 857343463 /nfs/dbraw/zinc/34/34/63/857343463.db2.gz SSKNASJMMBOWTP-JTSKRJEESA-N 1 1 391.475 3.976 20 5 GHBDMO Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000486031279 857343467 /nfs/dbraw/zinc/34/34/67/857343467.db2.gz SSKNASJMMBOWTP-JTSKRJEESA-N 1 1 391.475 3.976 20 5 GHBDMO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000442007058 857429850 /nfs/dbraw/zinc/42/98/50/857429850.db2.gz UVVFRZOKXTYCBT-UHFFFAOYSA-N 1 1 383.473 3.666 20 5 GHBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442308153 857710319 /nfs/dbraw/zinc/71/03/19/857710319.db2.gz NZVSNTLCVROJFY-OAHLLOKOSA-N 1 1 397.500 3.960 20 5 GHBDMO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000323699070 857711662 /nfs/dbraw/zinc/71/16/62/857711662.db2.gz FODGVMKMAFNWBN-OAHLLOKOSA-N 1 1 387.867 3.842 20 5 GHBDMO O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000486448307 857752444 /nfs/dbraw/zinc/75/24/44/857752444.db2.gz GKOUZYJVRAXKMD-UHFFFAOYSA-N 1 1 399.357 3.706 20 5 GHBDMO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312609119 857886134 /nfs/dbraw/zinc/88/61/34/857886134.db2.gz ZFPBMQMXUNIFSP-HIFRSBDPSA-N 1 1 383.477 3.922 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000114193137 857935458 /nfs/dbraw/zinc/93/54/58/857935458.db2.gz HNEFWHSUZAVHBW-OAQYLSRUSA-N 1 1 397.475 3.604 20 5 GHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000114192862 857935494 /nfs/dbraw/zinc/93/54/94/857935494.db2.gz XTNMFUIQYDKTFG-NRFANRHFSA-N 1 1 397.475 3.604 20 5 GHBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1c[nH]c2ccccc12 ZINC000442883006 858204305 /nfs/dbraw/zinc/20/43/05/858204305.db2.gz BVHALFXJSVJDFI-UHFFFAOYSA-N 1 1 394.431 3.896 20 5 GHBDMO Cc1[nH+]cn(CCCCc2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)c1C ZINC000594534259 858213788 /nfs/dbraw/zinc/21/37/88/858213788.db2.gz KMWNRAQCOACJOI-UHFFFAOYSA-N 1 1 380.408 3.962 20 5 GHBDMO Cc1noc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595289088 858452494 /nfs/dbraw/zinc/45/24/94/858452494.db2.gz NXWIOYCMRMDMAL-UHFFFAOYSA-N 1 1 392.459 3.798 20 5 GHBDMO Cc1noc(CN[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000595425695 858527020 /nfs/dbraw/zinc/52/70/20/858527020.db2.gz KIPLFKPWIDHHPE-GOSISDBHSA-N 1 1 394.422 3.875 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595880840 858705114 /nfs/dbraw/zinc/70/51/14/858705114.db2.gz ZWXNWDVPXJOJOG-QGCDCVKKSA-N 1 1 397.475 3.533 20 5 GHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595880840 858705119 /nfs/dbraw/zinc/70/51/19/858705119.db2.gz ZWXNWDVPXJOJOG-QGCDCVKKSA-N 1 1 397.475 3.533 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC000596077054 858773694 /nfs/dbraw/zinc/77/36/94/858773694.db2.gz GYLKEWOBQXTCEO-OAHLLOKOSA-N 1 1 382.464 3.680 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596076819 858775038 /nfs/dbraw/zinc/77/50/38/858775038.db2.gz PZBBCLVDCYQUOR-OAHLLOKOSA-N 1 1 382.464 3.538 20 5 GHBDMO C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000482707390 858782190 /nfs/dbraw/zinc/78/21/90/858782190.db2.gz OJVKXMWJZIRQIG-MRXNPFEDSA-N 1 1 379.464 3.568 20 5 GHBDMO CC(C)([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000429266667 858867116 /nfs/dbraw/zinc/86/71/16/858867116.db2.gz UUKILIABYJUPBC-UHFFFAOYSA-N 1 1 392.253 3.821 20 5 GHBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543252891 859032873 /nfs/dbraw/zinc/03/28/73/859032873.db2.gz RKZCMUILRMNBAC-STQMWFEESA-N 1 1 385.917 3.577 20 5 GHBDMO COC[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000537629416 881385231 /nfs/dbraw/zinc/38/52/31/881385231.db2.gz YAOIQMNNHATQSF-KRWDZBQOSA-N 1 1 392.459 3.916 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)c([N+](=O)[O-])c1 ZINC001170352626 881391760 /nfs/dbraw/zinc/39/17/60/881391760.db2.gz OUSRZOGMZMNRDT-ZBFHGGJFSA-N 1 1 388.468 3.920 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c([N+](=O)[O-])c1 ZINC001170355656 881402830 /nfs/dbraw/zinc/40/28/30/881402830.db2.gz NZFUFWQDEPHELR-VQIMIIECSA-N 1 1 385.464 3.781 20 5 GHBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC[C@@H]2N1 ZINC000597205846 859360190 /nfs/dbraw/zinc/36/01/90/859360190.db2.gz LIHURCIBIGIWPV-PXAZEXFGSA-N 1 1 389.839 3.609 20 5 GHBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000597254312 859379586 /nfs/dbraw/zinc/37/95/86/859379586.db2.gz IRTHBNJQZOOEAI-UHFFFAOYSA-N 1 1 392.459 3.794 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[N@@H+](C[C@@H]4CCCO4)CC3)o2)cc1 ZINC000611254024 859664604 /nfs/dbraw/zinc/66/46/04/859664604.db2.gz GUBIWCYRHZTIPN-IBGZPJMESA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCN(C[C@@H]4CCCO4)CC3)o2)cc1 ZINC000611254024 859664606 /nfs/dbraw/zinc/66/46/06/859664606.db2.gz GUBIWCYRHZTIPN-IBGZPJMESA-N 1 1 385.464 3.542 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCN(C[C@@H]4CCCO4)CC3)o2)cc1 ZINC000611254024 859664608 /nfs/dbraw/zinc/66/46/08/859664608.db2.gz GUBIWCYRHZTIPN-IBGZPJMESA-N 1 1 385.464 3.542 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000597710407 859756247 /nfs/dbraw/zinc/75/62/47/859756247.db2.gz LZCCHIJWVDRKAQ-IBGZPJMESA-N 1 1 377.510 3.653 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170347521 881471478 /nfs/dbraw/zinc/47/14/78/881471478.db2.gz RQJTWRSZSFBVOQ-MRXNPFEDSA-N 1 1 392.459 3.778 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000597855069 859873629 /nfs/dbraw/zinc/87/36/29/859873629.db2.gz QLVUSMQKEMMFKO-CYBMUJFWSA-N 1 1 388.493 3.569 20 5 GHBDMO Cc1c(Br)cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597860271 859875924 /nfs/dbraw/zinc/87/59/24/859875924.db2.gz MVTDMDMDUQNOSZ-GFCCVEGCSA-N 1 1 398.301 3.516 20 5 GHBDMO COc1cc(C[N@@H+]2CCC[C@@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091772850 859930646 /nfs/dbraw/zinc/93/06/46/859930646.db2.gz MFXGQDMTWVXUTL-LJQANCHMSA-N 1 1 386.448 3.793 20 5 GHBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170351572 881485883 /nfs/dbraw/zinc/48/58/83/881485883.db2.gz GJDDFQCPGSRPDE-GDBMZVCRSA-N 1 1 378.469 3.731 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000602464703 860044672 /nfs/dbraw/zinc/04/46/72/860044672.db2.gz MTUBGLJBTYFIMS-CYBMUJFWSA-N 1 1 395.385 3.531 20 5 GHBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000054224831 860046952 /nfs/dbraw/zinc/04/69/52/860046952.db2.gz YVBGUFNTDIGHHI-ZBFHGGJFSA-N 1 1 385.489 3.882 20 5 GHBDMO COc1ccc(C[C@H](C)[N@@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001170351759 881498632 /nfs/dbraw/zinc/49/86/32/881498632.db2.gz IADQZPCMPWMPMB-YCRPNKLZSA-N 1 1 388.439 3.921 20 5 GHBDMO COc1ccc(C[C@H](C)[N@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001170351759 881498638 /nfs/dbraw/zinc/49/86/38/881498638.db2.gz IADQZPCMPWMPMB-YCRPNKLZSA-N 1 1 388.439 3.921 20 5 GHBDMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000092755143 860121865 /nfs/dbraw/zinc/12/18/65/860121865.db2.gz GJRYPZVOJIDELU-CYBMUJFWSA-N 1 1 399.438 3.569 20 5 GHBDMO O=[N+]([O-])c1c(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc2ccccn21 ZINC000765547013 860130283 /nfs/dbraw/zinc/13/02/83/860130283.db2.gz XTDBCZSTSLZTHI-RTBURBONSA-N 1 1 391.475 3.733 20 5 GHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000602651336 860181095 /nfs/dbraw/zinc/18/10/95/860181095.db2.gz GYWKXGPWIKQPKP-UHFFFAOYSA-N 1 1 377.269 3.900 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474489909 860194463 /nfs/dbraw/zinc/19/44/63/860194463.db2.gz BUKNVGDLXNOIQO-HXUWFJFHSA-N 1 1 385.439 3.747 20 5 GHBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474489909 860194468 /nfs/dbraw/zinc/19/44/68/860194468.db2.gz BUKNVGDLXNOIQO-HXUWFJFHSA-N 1 1 385.439 3.747 20 5 GHBDMO Cc1cc(NC2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555192280 860199055 /nfs/dbraw/zinc/19/90/55/860199055.db2.gz ACTMSWAKZMCYIC-UHFFFAOYSA-N 1 1 383.374 3.736 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC[C@@H]21 ZINC000154752071 860255567 /nfs/dbraw/zinc/25/55/67/860255567.db2.gz ZDSSRGOCOKFBRT-UZLBHIALSA-N 1 1 395.459 3.943 20 5 GHBDMO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000484700840 860263690 /nfs/dbraw/zinc/26/36/90/860263690.db2.gz SFQSLIYZEACCIE-WZQKQDCOSA-N 1 1 375.494 3.562 20 5 GHBDMO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000484700840 860263699 /nfs/dbraw/zinc/26/36/99/860263699.db2.gz SFQSLIYZEACCIE-WZQKQDCOSA-N 1 1 375.494 3.562 20 5 GHBDMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cccc1[N+](=O)[O-] ZINC000598395923 860277409 /nfs/dbraw/zinc/27/74/09/860277409.db2.gz GMQVLIGSIMOLDM-LJQANCHMSA-N 1 1 393.487 3.935 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154832772 860289492 /nfs/dbraw/zinc/28/94/92/860289492.db2.gz XAUJXUGCCPFZSQ-SFHVURJKSA-N 1 1 382.464 3.808 20 5 GHBDMO COc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093645840 860323671 /nfs/dbraw/zinc/32/36/71/860323671.db2.gz RGBKHMAIGPBOJW-HXUWFJFHSA-N 1 1 398.459 3.793 20 5 GHBDMO COc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093645840 860323681 /nfs/dbraw/zinc/32/36/81/860323681.db2.gz RGBKHMAIGPBOJW-HXUWFJFHSA-N 1 1 398.459 3.793 20 5 GHBDMO C[N@@H+](CCOc1cccc(Cl)c1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026336887 860331627 /nfs/dbraw/zinc/33/16/27/860331627.db2.gz WYZSIYKCDGDEBP-UHFFFAOYSA-N 1 1 377.828 3.588 20 5 GHBDMO CC(C)(C)Oc1cc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000484779796 860344280 /nfs/dbraw/zinc/34/42/80/860344280.db2.gz VHOQXMBHMNTZJF-LJQANCHMSA-N 1 1 399.491 3.603 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000155084769 860392657 /nfs/dbraw/zinc/39/26/57/860392657.db2.gz UGDOEQNEJFBPMY-QGZVFWFLSA-N 1 1 398.463 3.509 20 5 GHBDMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053233163 860442308 /nfs/dbraw/zinc/44/23/08/860442308.db2.gz NDHPCIFWGOYOAV-LLVKDONJSA-N 1 1 391.811 3.608 20 5 GHBDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053233163 860442318 /nfs/dbraw/zinc/44/23/18/860442318.db2.gz NDHPCIFWGOYOAV-LLVKDONJSA-N 1 1 391.811 3.608 20 5 GHBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cn1 ZINC000301374171 860462676 /nfs/dbraw/zinc/46/26/76/860462676.db2.gz QTNCGXIJTVYEIJ-UHFFFAOYSA-N 1 1 375.335 3.697 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598647378 860480706 /nfs/dbraw/zinc/48/07/06/860480706.db2.gz AJYCHSDDDKYVBD-KRWDZBQOSA-N 1 1 385.411 3.736 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c1C ZINC000904510560 860483151 /nfs/dbraw/zinc/48/31/51/860483151.db2.gz DNQXNQABSSWJRT-UHFFFAOYSA-N 1 1 394.431 3.761 20 5 GHBDMO CC(C)C[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCc2cccnc21 ZINC000127897765 881572689 /nfs/dbraw/zinc/57/26/89/881572689.db2.gz OBNZSBFIPXCJCD-KRWDZBQOSA-N 1 1 396.447 3.891 20 5 GHBDMO CC(C)C[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCc2cccnc21 ZINC000127897765 881572703 /nfs/dbraw/zinc/57/27/03/881572703.db2.gz OBNZSBFIPXCJCD-KRWDZBQOSA-N 1 1 396.447 3.891 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C(F)(F)F ZINC000603474531 860736200 /nfs/dbraw/zinc/73/62/00/860736200.db2.gz DSGDZIRBCOSUML-INIZCTEOSA-N 1 1 395.381 3.927 20 5 GHBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C(F)(F)F ZINC000603474531 860736206 /nfs/dbraw/zinc/73/62/06/860736206.db2.gz DSGDZIRBCOSUML-INIZCTEOSA-N 1 1 395.381 3.927 20 5 GHBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000593674043 860785777 /nfs/dbraw/zinc/78/57/77/860785777.db2.gz MIEJJZMATSJGEJ-HUUCEWRRSA-N 1 1 392.839 3.622 20 5 GHBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000593674043 860785782 /nfs/dbraw/zinc/78/57/82/860785782.db2.gz MIEJJZMATSJGEJ-HUUCEWRRSA-N 1 1 392.839 3.622 20 5 GHBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000156805190 860973079 /nfs/dbraw/zinc/97/30/79/860973079.db2.gz ZYJMRZDHCOVDDC-SFHVURJKSA-N 1 1 380.366 3.575 20 5 GHBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444027250 863167371 /nfs/dbraw/zinc/16/73/71/863167371.db2.gz BPBONQSWDQMIPL-QGZVFWFLSA-N 1 1 377.488 3.676 20 5 GHBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC[N@H+]1C ZINC000444086644 863358502 /nfs/dbraw/zinc/35/85/02/863358502.db2.gz JMEHWPJCRCFZFH-OCCSQVGLSA-N 1 1 399.441 3.514 20 5 GHBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000439699120 863470223 /nfs/dbraw/zinc/47/02/23/863470223.db2.gz UODZDHJINPGJHN-AWEZNQCLSA-N 1 1 398.301 3.598 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)nc1-c1ccncc1 ZINC000172896521 864092520 /nfs/dbraw/zinc/09/25/20/864092520.db2.gz FZUUETTUKYUXOG-SFHVURJKSA-N 1 1 381.411 3.657 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)nc1-c1ccncc1 ZINC000172896521 864092537 /nfs/dbraw/zinc/09/25/37/864092537.db2.gz FZUUETTUKYUXOG-SFHVURJKSA-N 1 1 381.411 3.657 20 5 GHBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000071961316 864244258 /nfs/dbraw/zinc/24/42/58/864244258.db2.gz DGQAVIODIJERJL-IYBDPMFKSA-N 1 1 396.491 3.585 20 5 GHBDMO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000475123582 864258873 /nfs/dbraw/zinc/25/88/73/864258873.db2.gz XYWOFEBJUDDDMR-MSOLQXFVSA-N 1 1 386.473 3.893 20 5 GHBDMO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000475123582 864258884 /nfs/dbraw/zinc/25/88/84/864258884.db2.gz XYWOFEBJUDDDMR-MSOLQXFVSA-N 1 1 386.473 3.893 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000480509175 864762834 /nfs/dbraw/zinc/76/28/34/864762834.db2.gz AYVGQKLEVGVASQ-LSDHHAIUSA-N 1 1 377.510 3.700 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cccc1[N+](=O)[O-] ZINC000792916537 881811002 /nfs/dbraw/zinc/81/10/02/881811002.db2.gz YSKSWYAWEIWAJF-ZBFHGGJFSA-N 1 1 386.279 3.748 20 5 GHBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000184866646 865000951 /nfs/dbraw/zinc/00/09/51/865000951.db2.gz RGDWGSZWSDCSQI-CQSZACIVSA-N 1 1 380.404 3.929 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001127534176 881829528 /nfs/dbraw/zinc/82/95/28/881829528.db2.gz ZFNRRLPEZWECES-GOSISDBHSA-N 1 1 397.475 3.730 20 5 GHBDMO CCC[C@@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001127534176 881829542 /nfs/dbraw/zinc/82/95/42/881829542.db2.gz ZFNRRLPEZWECES-GOSISDBHSA-N 1 1 397.475 3.730 20 5 GHBDMO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184919962 865043755 /nfs/dbraw/zinc/04/37/55/865043755.db2.gz XFPYXHDDRGMLKV-DOTOQJQBSA-N 1 1 385.439 3.618 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@H](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000736589413 865243041 /nfs/dbraw/zinc/24/30/41/865243041.db2.gz FVHJWOBJNDBGSU-MRXNPFEDSA-N 1 1 381.411 3.515 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594195122 865341332 /nfs/dbraw/zinc/34/13/32/865341332.db2.gz CFEVLAHXINLBEU-DLBZAZTESA-N 1 1 377.510 3.842 20 5 GHBDMO Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000065254217 865390040 /nfs/dbraw/zinc/39/00/40/865390040.db2.gz LSTPRZTYKFLZMR-PZJWPPBQSA-N 1 1 384.476 3.598 20 5 GHBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000608915959 865813482 /nfs/dbraw/zinc/81/34/82/865813482.db2.gz PVUHCCDDEBRBBU-MRXNPFEDSA-N 1 1 384.480 3.667 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000737413043 866199174 /nfs/dbraw/zinc/19/91/74/866199174.db2.gz YGGZBFHNNQPCDX-OKILXGFUSA-N 1 1 386.408 3.856 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000475561638 866298870 /nfs/dbraw/zinc/29/88/70/866298870.db2.gz CASGVUFHGOVVDM-LJQANCHMSA-N 1 1 396.443 3.799 20 5 GHBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000183189563 866342408 /nfs/dbraw/zinc/34/24/08/866342408.db2.gz HFVJXMRMBFVYHZ-UHFFFAOYSA-N 1 1 397.928 3.817 20 5 GHBDMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000552868755 866389074 /nfs/dbraw/zinc/38/90/74/866389074.db2.gz GSAUCMGPGVUXDH-SFHVURJKSA-N 1 1 383.379 3.588 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000475582294 866429009 /nfs/dbraw/zinc/42/90/09/866429009.db2.gz MNNOQRWDPXHSKY-ZDUSSCGKSA-N 1 1 392.839 3.993 20 5 GHBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000475582294 866429014 /nfs/dbraw/zinc/42/90/14/866429014.db2.gz MNNOQRWDPXHSKY-ZDUSSCGKSA-N 1 1 392.839 3.993 20 5 GHBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1)C1CC1 ZINC000553061150 866723450 /nfs/dbraw/zinc/72/34/50/866723450.db2.gz VSQPBRXSMLXQEV-UHFFFAOYSA-N 1 1 381.476 3.894 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444728647 867107129 /nfs/dbraw/zinc/10/71/29/867107129.db2.gz GJLJNCQMAPFXMH-WBMJQRKESA-N 1 1 376.375 3.517 20 5 GHBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444728647 867107137 /nfs/dbraw/zinc/10/71/37/867107137.db2.gz GJLJNCQMAPFXMH-WBMJQRKESA-N 1 1 376.375 3.517 20 5 GHBDMO C[N@@H+](CCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C1CCCCC1 ZINC000742391657 867257557 /nfs/dbraw/zinc/25/75/57/867257557.db2.gz BRQPHSAYJLYHTG-UHFFFAOYSA-N 1 1 376.457 3.618 20 5 GHBDMO Cc1c(Br)c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ncc1[N+](=O)[O-] ZINC000544394859 867449545 /nfs/dbraw/zinc/44/95/45/867449545.db2.gz UKUXSGFAUTVVMQ-OLZOCXBDSA-N 1 1 383.290 3.512 20 5 GHBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457091993 867648712 /nfs/dbraw/zinc/64/87/12/867648712.db2.gz NFBSPUKNUMSGQX-MRXNPFEDSA-N 1 1 379.526 3.898 20 5 GHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743409218 868187259 /nfs/dbraw/zinc/18/72/59/868187259.db2.gz SNDYFJPSXCCDLW-LJQANCHMSA-N 1 1 393.491 3.746 20 5 GHBDMO Cc1c(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000479683896 868330498 /nfs/dbraw/zinc/33/04/98/868330498.db2.gz AGGVIVJZENBRCG-JXFKEZNVSA-N 1 1 396.491 3.756 20 5 GHBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000535276120 868507977 /nfs/dbraw/zinc/50/79/77/868507977.db2.gz OSDLRWDQTLAHGM-LJQANCHMSA-N 1 1 397.475 3.736 20 5 GHBDMO C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000442733220 868515573 /nfs/dbraw/zinc/51/55/73/868515573.db2.gz PBDYCBRRVFPBHO-AWEZNQCLSA-N 1 1 385.489 3.959 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000479882724 868676879 /nfs/dbraw/zinc/67/68/79/868676879.db2.gz DPYYDSFBTKQZHZ-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000479882724 868676884 /nfs/dbraw/zinc/67/68/84/868676884.db2.gz DPYYDSFBTKQZHZ-KRWDZBQOSA-N 1 1 383.448 3.557 20 5 GHBDMO COc1ccc(C2CC[NH+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC2)cc1 ZINC000744437160 868823649 /nfs/dbraw/zinc/82/36/49/868823649.db2.gz INXVRNRVSSOYLO-UHFFFAOYSA-N 1 1 393.447 3.699 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000744743454 869062465 /nfs/dbraw/zinc/06/24/65/869062465.db2.gz VFJKONISEQHWNI-IAQFLPNQSA-N 1 1 395.459 3.967 20 5 GHBDMO COc1cc(CN2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000442925683 869095623 /nfs/dbraw/zinc/09/56/23/869095623.db2.gz WDRBCVOQYSCMLD-KRWDZBQOSA-N 1 1 399.491 3.743 20 5 GHBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000446224629 869566758 /nfs/dbraw/zinc/56/67/58/869566758.db2.gz GFVDOQMEBXZCDC-BBRMVZONSA-N 1 1 377.872 3.646 20 5 GHBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000745498052 869606889 /nfs/dbraw/zinc/60/68/89/869606889.db2.gz YKWOBSHFXUILNW-OAHLLOKOSA-N 1 1 385.439 3.896 20 5 GHBDMO COC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539831278 869868107 /nfs/dbraw/zinc/86/81/07/869868107.db2.gz YFNSSQISXZTKGM-GOSISDBHSA-N 1 1 386.448 3.651 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000539846628 869893199 /nfs/dbraw/zinc/89/31/99/869893199.db2.gz DGPDROIWJCKEOJ-LJQANCHMSA-N 1 1 381.476 3.914 20 5 GHBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000462871859 870263449 /nfs/dbraw/zinc/26/34/49/870263449.db2.gz INVSMBQABPJSJC-APWZRJJASA-N 1 1 381.476 3.992 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(Cc3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000540045652 870299798 /nfs/dbraw/zinc/29/97/98/870299798.db2.gz MSDVRMMASSIYOI-MRXNPFEDSA-N 1 1 382.464 3.580 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000475646063 870437857 /nfs/dbraw/zinc/43/78/57/870437857.db2.gz PRLFDGKOKVBTIP-UHFFFAOYSA-N 1 1 388.493 3.665 20 5 GHBDMO CC[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584283 870467039 /nfs/dbraw/zinc/46/70/39/870467039.db2.gz BMTRUIMWFMKHML-VXKWHMMOSA-N 1 1 383.492 3.927 20 5 GHBDMO CC[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584283 870467047 /nfs/dbraw/zinc/46/70/47/870467047.db2.gz BMTRUIMWFMKHML-VXKWHMMOSA-N 1 1 383.492 3.927 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(OCC(F)(F)F)c3)nc2c1 ZINC000446827833 870484032 /nfs/dbraw/zinc/48/40/32/870484032.db2.gz QLDPUKNRYIDFMB-UHFFFAOYSA-N 1 1 380.326 3.702 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(F)c(Br)c3)nc2c1 ZINC000446850433 870539830 /nfs/dbraw/zinc/53/98/30/870539830.db2.gz ZGCNBGKZJRNRDC-UHFFFAOYSA-N 1 1 379.189 3.663 20 5 GHBDMO CN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746390591 870597873 /nfs/dbraw/zinc/59/78/73/870597873.db2.gz MIIHMGWZLVFKEU-GOSISDBHSA-N 1 1 394.475 3.580 20 5 GHBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000461727725 870853647 /nfs/dbraw/zinc/85/36/47/870853647.db2.gz OCLDDHIYJJANPS-QGZVFWFLSA-N 1 1 396.491 3.789 20 5 GHBDMO CC(C)(C)OC(=O)Nc1cccc2c1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169045875 871127370 /nfs/dbraw/zinc/12/73/70/871127370.db2.gz KCYBFQROSMOUQZ-HOCLYGCPSA-N 1 1 375.469 3.837 20 5 GHBDMO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([N@@H+](CC2CC2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169054663 871133731 /nfs/dbraw/zinc/13/37/31/871133731.db2.gz NIBIHAFFFXNRKM-CADBVGFASA-N 1 1 395.544 3.980 20 5 GHBDMO C[C@]12CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001169495785 871553478 /nfs/dbraw/zinc/55/34/78/871553478.db2.gz GUXATCYNPIIGCH-SZPZYZBQSA-N 1 1 397.450 3.718 20 5 GHBDMO O=C1c2ccccc2C(=O)N1CCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441259425 871581844 /nfs/dbraw/zinc/58/18/44/871581844.db2.gz DONWOXCMUSZCOH-UHFFFAOYSA-N 1 1 393.443 3.636 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000539339679 871730501 /nfs/dbraw/zinc/73/05/01/871730501.db2.gz IRICTTJXJPTFGB-UHFFFAOYSA-N 1 1 387.505 3.957 20 5 GHBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC[C@@H]21 ZINC000618587927 871734709 /nfs/dbraw/zinc/73/47/09/871734709.db2.gz BKUFGZVBUVBNOG-MNOVXSKESA-N 1 1 394.344 3.564 20 5 GHBDMO C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N(C)Cc1ccccc1 ZINC000447529831 871762792 /nfs/dbraw/zinc/76/27/92/871762792.db2.gz LCBHDMGDPJOSMH-RLLQIKCJSA-N 1 1 385.512 3.775 20 5 GHBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001273681928 871872938 /nfs/dbraw/zinc/87/29/38/871872938.db2.gz VOPXELGINRFNLH-UHFFFAOYSA-N 1 1 392.390 3.944 20 5 GHBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001195013170 872070457 /nfs/dbraw/zinc/07/04/57/872070457.db2.gz JVVCYVDTJBFUSO-LBPRGKRZSA-N 1 1 379.819 3.889 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)nc2c1 ZINC000447688798 872121453 /nfs/dbraw/zinc/12/14/53/872121453.db2.gz IQNHOCFOCLYFEQ-JOCHJYFZSA-N 1 1 391.475 3.964 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCOC2)O1 ZINC000619434233 872646951 /nfs/dbraw/zinc/64/69/51/872646951.db2.gz KVIRJUQMBLBPLC-YJYMSZOUSA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCOC2)O1 ZINC000619434233 872646957 /nfs/dbraw/zinc/64/69/57/872646957.db2.gz KVIRJUQMBLBPLC-YJYMSZOUSA-N 1 1 392.839 3.888 20 5 GHBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000794233651 882639841 /nfs/dbraw/zinc/63/98/41/882639841.db2.gz ORPSFOIPEVCGEI-UHFFFAOYSA-N 1 1 376.844 3.628 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448029980 872754752 /nfs/dbraw/zinc/75/47/52/872754752.db2.gz RIOHRBYTICOUDA-FOIQADDNSA-N 1 1 382.464 3.825 20 5 GHBDMO COc1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] ZINC000182815813 872812077 /nfs/dbraw/zinc/81/20/77/872812077.db2.gz DTULDWSDGXOJLT-ZDUSSCGKSA-N 1 1 384.358 3.656 20 5 GHBDMO COc1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] ZINC000182815813 872812096 /nfs/dbraw/zinc/81/20/96/872812096.db2.gz DTULDWSDGXOJLT-ZDUSSCGKSA-N 1 1 384.358 3.656 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1OC ZINC000541058621 872813743 /nfs/dbraw/zinc/81/37/43/872813743.db2.gz UIECJWQRUCFTAE-BBWFWOEESA-N 1 1 392.496 3.887 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4csc(C5CC5)n4)CC3)nc2c1 ZINC000460348318 872838410 /nfs/dbraw/zinc/83/84/10/872838410.db2.gz FIXDSQXDCHZBHJ-UHFFFAOYSA-N 1 1 398.492 3.517 20 5 GHBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4csc(C5CC5)n4)CC3)nc2c1 ZINC000460348318 872838413 /nfs/dbraw/zinc/83/84/13/872838413.db2.gz FIXDSQXDCHZBHJ-UHFFFAOYSA-N 1 1 398.492 3.517 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001196135511 872891752 /nfs/dbraw/zinc/89/17/52/872891752.db2.gz XKEGTHVUASCELK-BTYIYWSLSA-N 1 1 383.448 3.594 20 5 GHBDMO COc1cccc([C@@]2(C)CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001196135511 872891756 /nfs/dbraw/zinc/89/17/56/872891756.db2.gz XKEGTHVUASCELK-BTYIYWSLSA-N 1 1 383.448 3.594 20 5 GHBDMO CCC[N@@H+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000552672822 873010378 /nfs/dbraw/zinc/01/03/78/873010378.db2.gz ZOHJKYJZWVEKNB-IBGZPJMESA-N 1 1 389.883 3.990 20 5 GHBDMO C[C@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768866636 873630077 /nfs/dbraw/zinc/63/00/77/873630077.db2.gz NKVFHDMQWFXHFW-ZDUSSCGKSA-N 1 1 395.506 3.832 20 5 GHBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768866636 873630081 /nfs/dbraw/zinc/63/00/81/873630081.db2.gz NKVFHDMQWFXHFW-ZDUSSCGKSA-N 1 1 395.506 3.832 20 5 GHBDMO CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001197420824 873803079 /nfs/dbraw/zinc/80/30/79/873803079.db2.gz BOYRYBXRLQYIAF-FQEVSTJZSA-N 1 1 383.492 3.960 20 5 GHBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCN1Cc1ccccc1 ZINC001197420824 873803085 /nfs/dbraw/zinc/80/30/85/873803085.db2.gz BOYRYBXRLQYIAF-FQEVSTJZSA-N 1 1 383.492 3.960 20 5 GHBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCN1Cc1ccccc1 ZINC001197420824 873803091 /nfs/dbraw/zinc/80/30/91/873803091.db2.gz BOYRYBXRLQYIAF-FQEVSTJZSA-N 1 1 383.492 3.960 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000769210158 873893572 /nfs/dbraw/zinc/89/35/72/873893572.db2.gz WNQGNIWEWPDMKM-UHFFFAOYSA-N 1 1 382.302 3.808 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC001197818993 874077731 /nfs/dbraw/zinc/07/77/31/874077731.db2.gz RVHGGXBWWZSFHK-UHFFFAOYSA-N 1 1 393.390 3.735 20 5 GHBDMO COc1cc(C[N@H+]2CCOC[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000769454974 874081378 /nfs/dbraw/zinc/08/13/78/874081378.db2.gz CAGYMLYOQWSJGW-INIZCTEOSA-N 1 1 386.448 3.651 20 5 GHBDMO Cc1cc2cc(C[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)oc2cc1C ZINC000541760524 874224424 /nfs/dbraw/zinc/22/44/24/874224424.db2.gz LISWEKIUVUNNRD-UHFFFAOYSA-N 1 1 388.445 3.521 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000770018632 874406573 /nfs/dbraw/zinc/40/65/73/874406573.db2.gz JEYOMKHIMNGCKJ-UHFFFAOYSA-N 1 1 388.855 3.988 20 5 GHBDMO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464781389 874483786 /nfs/dbraw/zinc/48/37/86/874483786.db2.gz YXFAEAMADNHNQB-QGZVFWFLSA-N 1 1 391.512 3.769 20 5 GHBDMO COc1ccccc1N1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001198632715 874532439 /nfs/dbraw/zinc/53/24/39/874532439.db2.gz JRKJATMYLCWJMA-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO COc1ccccc1N1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001198632715 874532444 /nfs/dbraw/zinc/53/24/44/874532444.db2.gz JRKJATMYLCWJMA-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464843106 874615881 /nfs/dbraw/zinc/61/58/81/874615881.db2.gz PZWSLLKIHXECRV-QZTJIDSGSA-N 1 1 396.491 3.518 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](COC)C2)cc1OC ZINC000541987161 874677726 /nfs/dbraw/zinc/67/77/26/874677726.db2.gz LXRBLPSWAMBEBD-HOTGVXAUSA-N 1 1 380.485 3.887 20 5 GHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000464899721 874711969 /nfs/dbraw/zinc/71/19/69/874711969.db2.gz UCCLHLPJISATNW-YUELXQCFSA-N 1 1 386.477 3.777 20 5 GHBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000542042203 874807947 /nfs/dbraw/zinc/80/79/47/874807947.db2.gz OYXMDVBKJHLTSE-CQSZACIVSA-N 1 1 389.477 3.767 20 5 GHBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505225 874970228 /nfs/dbraw/zinc/97/02/28/874970228.db2.gz WTHKYAZEMWEAFM-MAUKXSAKSA-N 1 1 388.489 3.939 20 5 GHBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505225 874970240 /nfs/dbraw/zinc/97/02/40/874970240.db2.gz WTHKYAZEMWEAFM-MAUKXSAKSA-N 1 1 388.489 3.939 20 5 GHBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000465066364 875020786 /nfs/dbraw/zinc/02/07/86/875020786.db2.gz MMKYNJNAWUOMPW-OAHLLOKOSA-N 1 1 384.436 3.959 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([NH2+][C@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000449618172 875135516 /nfs/dbraw/zinc/13/55/16/875135516.db2.gz KJBJCJKZHQOJJR-WFXMLNOXSA-N 1 1 392.459 3.962 20 5 GHBDMO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449619767 875135534 /nfs/dbraw/zinc/13/55/34/875135534.db2.gz QVQJUMOLVOXHCN-DBXWQHBBSA-N 1 1 392.459 3.962 20 5 GHBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000449980414 875753433 /nfs/dbraw/zinc/75/34/33/875753433.db2.gz JNSZSDULQPPCKY-AWEZNQCLSA-N 1 1 385.386 3.608 20 5 GHBDMO O=C(CC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1)NC1CCCC1 ZINC000746663041 877247581 /nfs/dbraw/zinc/24/75/81/877247581.db2.gz MMTBFBCTQVQTLE-UHFFFAOYSA-N 1 1 379.888 3.909 20 5 GHBDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000746672074 877321084 /nfs/dbraw/zinc/32/10/84/877321084.db2.gz GKBVIYYPDFGZJR-DOMZBBRYSA-N 1 1 383.876 3.983 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000746672074 877321104 /nfs/dbraw/zinc/32/11/04/877321104.db2.gz GKBVIYYPDFGZJR-DOMZBBRYSA-N 1 1 383.876 3.983 20 5 GHBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000428717963 877333977 /nfs/dbraw/zinc/33/39/77/877333977.db2.gz LVJCFWWWZLNPBO-PXNSSMCTSA-N 1 1 394.475 3.895 20 5 GHBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000787405534 877399130 /nfs/dbraw/zinc/39/91/30/877399130.db2.gz FRQHBKOKDCBABC-IUYQLWOBSA-N 1 1 375.469 3.845 20 5 GHBDMO Cc1nn(C[NH+]2CCC(OCc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179543218 877703198 /nfs/dbraw/zinc/70/31/98/877703198.db2.gz DQGJXRVZQWJZBE-UHFFFAOYSA-N 1 1 380.448 3.892 20 5 GHBDMO C[C@H]1CN(CCCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000237609699 877705970 /nfs/dbraw/zinc/70/59/70/877705970.db2.gz QLSUAGQBJYPEKO-IRXDYDNUSA-N 1 1 387.480 3.834 20 5 GHBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000451335970 877824812 /nfs/dbraw/zinc/82/48/12/877824812.db2.gz VMVFJLNPFAPBIK-SFHVURJKSA-N 1 1 391.855 3.551 20 5 GHBDMO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451542888 878108155 /nfs/dbraw/zinc/10/81/55/878108155.db2.gz AQHBIWHQUUUXTK-GHTZIAJQSA-N 1 1 393.487 3.937 20 5 GHBDMO Cc1c(-c2cc(C[N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)on2)cnn1C ZINC000451554486 878139712 /nfs/dbraw/zinc/13/97/12/878139712.db2.gz ZZJSPRDFQJJUON-MRXNPFEDSA-N 1 1 381.436 3.671 20 5 GHBDMO C[C@@H]1C[C@H](N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000776592473 878304398 /nfs/dbraw/zinc/30/43/98/878304398.db2.gz OTUMDSKKGMMHOH-ZPMCFJSWSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000776592473 878304417 /nfs/dbraw/zinc/30/44/17/878304417.db2.gz OTUMDSKKGMMHOH-ZPMCFJSWSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000776592473 878304438 /nfs/dbraw/zinc/30/44/38/878304438.db2.gz OTUMDSKKGMMHOH-ZPMCFJSWSA-N 1 1 383.492 3.613 20 5 GHBDMO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000593078408 878602200 /nfs/dbraw/zinc/60/22/00/878602200.db2.gz YMHJPBYUVUNZGH-SWLSCSKDSA-N 1 1 397.435 3.697 20 5 GHBDMO COc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093645883 912369540 /nfs/dbraw/zinc/36/95/40/912369540.db2.gz LZFLXZHYVKMAJN-FQEVSTJZSA-N 1 1 398.459 3.793 20 5 GHBDMO COc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093645883 912369563 /nfs/dbraw/zinc/36/95/63/912369563.db2.gz LZFLXZHYVKMAJN-FQEVSTJZSA-N 1 1 398.459 3.793 20 5 GHBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000111178872 878909372 /nfs/dbraw/zinc/90/93/72/878909372.db2.gz STNKTPAGHGSPOG-UHFFFAOYSA-N 1 1 396.369 3.519 20 5 GHBDMO COc1cc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000452122830 878973402 /nfs/dbraw/zinc/97/34/02/878973402.db2.gz VQGOJJZCJXGDOJ-UHFFFAOYSA-N 1 1 393.381 3.591 20 5 GHBDMO COc1cc(C[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000452122830 878973416 /nfs/dbraw/zinc/97/34/16/878973416.db2.gz VQGOJJZCJXGDOJ-UHFFFAOYSA-N 1 1 393.381 3.591 20 5 GHBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452175608 879043816 /nfs/dbraw/zinc/04/38/16/879043816.db2.gz UBTAHCFPVSXBKT-CQSZACIVSA-N 1 1 377.510 3.652 20 5 GHBDMO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000538226950 879053313 /nfs/dbraw/zinc/05/33/13/879053313.db2.gz BDJAJGYGFLCIIT-UHFFFAOYSA-N 1 1 375.375 3.871 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000452181654 879095735 /nfs/dbraw/zinc/09/57/35/879095735.db2.gz CKIWANKTDZFAIS-NILFDRSVSA-N 1 1 387.402 3.681 20 5 GHBDMO CN1C(=O)C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538422715 879439990 /nfs/dbraw/zinc/43/99/90/879439990.db2.gz UWLXNBZBVVHBJJ-XJKSGUPXSA-N 1 1 383.832 3.510 20 5 GHBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000064737245 879737939 /nfs/dbraw/zinc/73/79/39/879737939.db2.gz OGJASVXMTWHBMN-OAHLLOKOSA-N 1 1 394.431 3.958 20 5 GHBDMO CCOc1cc(N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000531385221 879753151 /nfs/dbraw/zinc/75/31/51/879753151.db2.gz FNRCGBAFFZUKNV-HRAATJIYSA-N 1 1 385.464 3.695 20 5 GHBDMO CCOc1cc(N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000531385221 879753160 /nfs/dbraw/zinc/75/31/60/879753160.db2.gz FNRCGBAFFZUKNV-HRAATJIYSA-N 1 1 385.464 3.695 20 5 GHBDMO C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000790557636 879814233 /nfs/dbraw/zinc/81/42/33/879814233.db2.gz BKLHTXXHSPIVMA-ZDUSSCGKSA-N 1 1 393.846 3.567 20 5 GHBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(SC(F)F)cc3)C2)nc1 ZINC000112656539 880065271 /nfs/dbraw/zinc/06/52/71/880065271.db2.gz ZSINTIAOBVXZPR-ZDUSSCGKSA-N 1 1 380.420 3.991 20 5 GHBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C[C@@H]21 ZINC000453032082 880379561 /nfs/dbraw/zinc/37/95/61/880379561.db2.gz IRFJXKKSYFATBI-KDOFPFPSSA-N 1 1 383.473 3.522 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000520355342 881035659 /nfs/dbraw/zinc/03/56/59/881035659.db2.gz PUWYNMRCYNZALD-UHFFFAOYSA-N 1 1 380.448 3.846 20 5 GHBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000174966760 883129615 /nfs/dbraw/zinc/12/96/15/883129615.db2.gz WANPPRBBFLLPIQ-MRXNPFEDSA-N 1 1 387.867 3.842 20 5 GHBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000174987532 883159141 /nfs/dbraw/zinc/15/91/41/883159141.db2.gz NVKROAOUKCWUAK-HNNXBMFYSA-N 1 1 377.828 3.798 20 5 GHBDMO C[C@@H](NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000476860924 883317678 /nfs/dbraw/zinc/31/76/78/883317678.db2.gz XMQZMJIQLUEYFB-IIBYNOLFSA-N 1 1 396.491 3.866 20 5 GHBDMO C[C@H](CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[N@@H+](C)Cc1ccccc1 ZINC000175161081 883341465 /nfs/dbraw/zinc/34/14/65/883341465.db2.gz PUYZBEGLRZTSJG-MRXNPFEDSA-N 1 1 398.463 3.874 20 5 GHBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000609613919 883456031 /nfs/dbraw/zinc/45/60/31/883456031.db2.gz YGRVIQRVKKSDDS-IRXDYDNUSA-N 1 1 399.495 3.731 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193765126 883480876 /nfs/dbraw/zinc/48/08/76/883480876.db2.gz ZYPIOGOYZHQGMD-LJQANCHMSA-N 1 1 381.476 3.772 20 5 GHBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)c2c1 ZINC000609849341 883728503 /nfs/dbraw/zinc/72/85/03/883728503.db2.gz MQWXTLVABFOENS-UHFFFAOYSA-N 1 1 397.866 3.904 20 5 GHBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195625334 883779891 /nfs/dbraw/zinc/77/98/91/883779891.db2.gz OSCFDLXAQDRILE-XUWVNRHRSA-N 1 1 379.526 3.558 20 5 GHBDMO Cc1nn(C[N@@H+]2CCCN(c3ccccc3F)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000795730225 912749811 /nfs/dbraw/zinc/74/98/11/912749811.db2.gz YUHUMVYOBUYXTH-UHFFFAOYSA-N 1 1 383.427 3.562 20 5 GHBDMO Cc1nn(C[N@H+]2CCCN(c3ccccc3F)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000795730225 912749825 /nfs/dbraw/zinc/74/98/25/912749825.db2.gz YUHUMVYOBUYXTH-UHFFFAOYSA-N 1 1 383.427 3.562 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929974 884180326 /nfs/dbraw/zinc/18/03/26/884180326.db2.gz NWJYFGPRGGMHMW-OYSPMZIOSA-N 1 1 395.459 3.666 20 5 GHBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000026224938 884189422 /nfs/dbraw/zinc/18/94/22/884189422.db2.gz NXJQKQYORAJZAI-UHFFFAOYSA-N 1 1 377.828 3.717 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000194734704 884328965 /nfs/dbraw/zinc/32/89/65/884328965.db2.gz MAHYTQGADYHCDA-NVXWUHKLSA-N 1 1 395.459 3.529 20 5 GHBDMO CC(C)CCSc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001127313247 884425545 /nfs/dbraw/zinc/42/55/45/884425545.db2.gz XMGUDXUITCOPDV-HUUCEWRRSA-N 1 1 379.526 3.898 20 5 GHBDMO C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1Cc1ccccc1 ZINC000556305761 884434290 /nfs/dbraw/zinc/43/42/90/884434290.db2.gz LTGNGXVCLXKUOH-MRXNPFEDSA-N 1 1 388.855 3.639 20 5 GHBDMO C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1Cc1ccccc1 ZINC000556305761 884434301 /nfs/dbraw/zinc/43/43/01/884434301.db2.gz LTGNGXVCLXKUOH-MRXNPFEDSA-N 1 1 388.855 3.639 20 5 GHBDMO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000176583652 884871155 /nfs/dbraw/zinc/87/11/55/884871155.db2.gz VFNNVBGOHSPPGR-GGFYYBSYSA-N 1 1 379.460 3.777 20 5 GHBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000861444729 885510394 /nfs/dbraw/zinc/51/03/94/885510394.db2.gz BVIUVJWHGRKYDM-CJNGLKHVSA-N 1 1 392.349 3.954 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc(Br)c1 ZINC000532493423 885854363 /nfs/dbraw/zinc/85/43/63/885854363.db2.gz RWQVDCFEVXAJBK-LBPRGKRZSA-N 1 1 392.253 3.816 20 5 GHBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cccc(Br)c1 ZINC000532493423 885854375 /nfs/dbraw/zinc/85/43/75/885854375.db2.gz RWQVDCFEVXAJBK-LBPRGKRZSA-N 1 1 392.253 3.816 20 5 GHBDMO COc1ccccc1CC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000532520755 885922451 /nfs/dbraw/zinc/92/24/51/885922451.db2.gz SLPMQAADPWHKPF-UHFFFAOYSA-N 1 1 397.475 3.521 20 5 GHBDMO C[N@@H+](CCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000915307545 886297109 /nfs/dbraw/zinc/29/71/09/886297109.db2.gz IBLQXQOSCCUSEW-UHFFFAOYSA-N 1 1 376.844 3.892 20 5 GHBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556873981 886440604 /nfs/dbraw/zinc/44/06/04/886440604.db2.gz YNJXVXXDNIRTEL-RXVVDRJESA-N 1 1 391.475 3.676 20 5 GHBDMO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000032446807 886545149 /nfs/dbraw/zinc/54/51/49/886545149.db2.gz PIACDMJOYOLORI-INIZCTEOSA-N 1 1 387.867 3.815 20 5 GHBDMO CCOC(=O)[C@H](C)C(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001184216399 913077520 /nfs/dbraw/zinc/07/75/20/913077520.db2.gz ISOSIATYSSQFHS-CQSZACIVSA-N 1 1 379.460 3.900 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3C[C@@H]4C[C@@H](c5ccccc5)[C@@H]4C3)n2)c1 ZINC000863320609 887029725 /nfs/dbraw/zinc/02/97/25/887029725.db2.gz DYDYQZZEWSTVCQ-YSIASYRMSA-N 1 1 375.432 3.546 20 5 GHBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863321543 887031746 /nfs/dbraw/zinc/03/17/46/887031746.db2.gz ZFRYCZINVULUBY-WSWWRLHASA-N 1 1 391.471 3.604 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)nc1-c1ccncc1 ZINC000863321493 887032618 /nfs/dbraw/zinc/03/26/18/887032618.db2.gz XKSAFQCDSOOTJA-GBESFXJTSA-N 1 1 375.432 3.546 20 5 GHBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000762925850 887108981 /nfs/dbraw/zinc/10/89/81/887108981.db2.gz HSSPLRJHQCCJNB-JOCHJYFZSA-N 1 1 395.503 3.616 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000794598139 887662957 /nfs/dbraw/zinc/66/29/57/887662957.db2.gz PPNOLZZPCAFQIO-UHFFFAOYSA-N 1 1 379.432 3.709 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000794598139 887662960 /nfs/dbraw/zinc/66/29/60/887662960.db2.gz PPNOLZZPCAFQIO-UHFFFAOYSA-N 1 1 379.432 3.709 20 5 GHBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000153761675 887758847 /nfs/dbraw/zinc/75/88/47/887758847.db2.gz TVOCJVLMSIEYFU-OKZBNKHCSA-N 1 1 397.258 3.525 20 5 GHBDMO COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000796032618 913188306 /nfs/dbraw/zinc/18/83/06/913188306.db2.gz FSJFZEXEOYPHTK-IBGZPJMESA-N 1 1 392.839 3.825 20 5 GHBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[N@@H+]1CCc2sccc2C1 ZINC000809911410 887932594 /nfs/dbraw/zinc/93/25/94/887932594.db2.gz NCZMSUJLHQXCKQ-NSHDSACASA-N 1 1 394.884 3.878 20 5 GHBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[N@H+]1CCc2sccc2C1 ZINC000809911410 887932598 /nfs/dbraw/zinc/93/25/98/887932598.db2.gz NCZMSUJLHQXCKQ-NSHDSACASA-N 1 1 394.884 3.878 20 5 GHBDMO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(N)=O ZINC000794717437 887963829 /nfs/dbraw/zinc/96/38/29/887963829.db2.gz MUVKZDHFLQORFW-MEBBXXQBSA-N 1 1 382.247 3.649 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000796058061 913212362 /nfs/dbraw/zinc/21/23/62/913212362.db2.gz RUGNBLOJBMLHSX-HNNXBMFYSA-N 1 1 387.427 3.902 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234499 888263021 /nfs/dbraw/zinc/26/30/21/888263021.db2.gz SJCJJCHFXLOWKD-HXUWFJFHSA-N 1 1 383.448 3.695 20 5 GHBDMO Cc1nn(C)c(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301108726 888392703 /nfs/dbraw/zinc/39/27/03/888392703.db2.gz NVWSBLTVJSVPIE-CQSZACIVSA-N 1 1 381.839 3.678 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000763303212 888484757 /nfs/dbraw/zinc/48/47/57/888484757.db2.gz XKQSDQQUCVRNSD-IAGOWNOFSA-N 1 1 392.431 3.605 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000763303212 888484764 /nfs/dbraw/zinc/48/47/64/888484764.db2.gz XKQSDQQUCVRNSD-IAGOWNOFSA-N 1 1 392.431 3.605 20 5 GHBDMO Cc1cc(NCCc2cn3c([nH+]2)CCCC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301129410 888612255 /nfs/dbraw/zinc/61/22/55/888612255.db2.gz WWIIESPIYXXXPH-UHFFFAOYSA-N 1 1 378.436 3.548 20 5 GHBDMO C[C@H]1C[C@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000865988794 888680875 /nfs/dbraw/zinc/68/08/75/888680875.db2.gz FYBXQHRECKAHAN-QFBILLFUSA-N 1 1 399.466 3.788 20 5 GHBDMO C[C@H](NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454390085 888950697 /nfs/dbraw/zinc/95/06/97/888950697.db2.gz ZZSQJYFKMUTQDF-TXPKVOOTSA-N 1 1 382.464 3.791 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121226478 889036027 /nfs/dbraw/zinc/03/60/27/889036027.db2.gz FGKUPQGERGQPOR-GOSISDBHSA-N 1 1 380.448 3.749 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000287425179 913327710 /nfs/dbraw/zinc/32/77/10/913327710.db2.gz PFHKTHKCSOTDAX-AWEZNQCLSA-N 1 1 384.358 3.852 20 5 GHBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000287425179 913327735 /nfs/dbraw/zinc/32/77/35/913327735.db2.gz PFHKTHKCSOTDAX-AWEZNQCLSA-N 1 1 384.358 3.852 20 5 GHBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454534299 889283891 /nfs/dbraw/zinc/28/38/91/889283891.db2.gz DWTXYUUDTAKKIH-ROUUACIJSA-N 1 1 386.496 3.501 20 5 GHBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000532928955 889305436 /nfs/dbraw/zinc/30/54/36/889305436.db2.gz IGJUWRPQRYENNL-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000532928955 889305449 /nfs/dbraw/zinc/30/54/49/889305449.db2.gz IGJUWRPQRYENNL-UHFFFAOYSA-N 1 1 392.253 3.818 20 5 GHBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001132801315 889588472 /nfs/dbraw/zinc/58/84/72/889588472.db2.gz ONLWJUDCJSUIMZ-INIZCTEOSA-N 1 1 377.510 3.701 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c2cc([N+](=O)[O-])ccc12 ZINC000811782296 889955291 /nfs/dbraw/zinc/95/52/91/889955291.db2.gz NCWLMZISKMCGBJ-OAQYLSRUSA-N 1 1 378.432 3.680 20 5 GHBDMO Cc1[nH+]ccn1-c1ncccc1CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000811826358 890043810 /nfs/dbraw/zinc/04/38/10/890043810.db2.gz WONVVLAKTCFTCU-UHFFFAOYSA-N 1 1 388.225 3.859 20 5 GHBDMO O=C(C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533303233 890250657 /nfs/dbraw/zinc/25/06/57/890250657.db2.gz XVLWSBZEQRWDMF-INIZCTEOSA-N 1 1 385.851 3.627 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000795103203 890267580 /nfs/dbraw/zinc/26/75/80/890267580.db2.gz PPOGITWCYOEEMK-GOEBONIOSA-N 1 1 379.432 3.565 20 5 GHBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000795103203 890267595 /nfs/dbraw/zinc/26/75/95/890267595.db2.gz PPOGITWCYOEEMK-GOEBONIOSA-N 1 1 379.432 3.565 20 5 GHBDMO Cc1nc(C2([NH2+]CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCCCC2)no1 ZINC000533353204 890358861 /nfs/dbraw/zinc/35/88/61/890358861.db2.gz BLGXTVGONYCIRT-UHFFFAOYSA-N 1 1 397.435 3.933 20 5 GHBDMO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378586 890384831 /nfs/dbraw/zinc/38/48/31/890384831.db2.gz MRIWXHRODRQSQU-SWLSCSKDSA-N 1 1 391.269 4.000 20 5 GHBDMO C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378586 890384847 /nfs/dbraw/zinc/38/48/47/890384847.db2.gz MRIWXHRODRQSQU-SWLSCSKDSA-N 1 1 391.269 4.000 20 5 GHBDMO COC(=O)/C=C/c1ccc(NCCCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000917073286 891012466 /nfs/dbraw/zinc/01/24/66/891012466.db2.gz MSFDMKRGCJVMOR-DZZUKKPASA-N 1 1 375.469 3.705 20 5 GHBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850141 891041904 /nfs/dbraw/zinc/04/19/04/891041904.db2.gz LWGOCSBSUMKNHO-AUUYWEPGSA-N 1 1 382.420 3.589 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812854707 891048352 /nfs/dbraw/zinc/04/83/52/891048352.db2.gz VQIIMNAVNXGQEW-HRAATJIYSA-N 1 1 385.464 3.676 20 5 GHBDMO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872023365 891122688 /nfs/dbraw/zinc/12/26/88/891122688.db2.gz REZUMYSJAPPZMI-RBSFLKMASA-N 1 1 388.443 3.593 20 5 GHBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)cc1 ZINC000872057836 891133409 /nfs/dbraw/zinc/13/34/09/891133409.db2.gz JGSBJHZMWMMQFW-CYBMUJFWSA-N 1 1 394.518 3.961 20 5 GHBDMO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872060834 891133549 /nfs/dbraw/zinc/13/35/49/891133549.db2.gz URGAIABUWOZMOQ-QAPCUYQASA-N 1 1 387.455 3.541 20 5 GHBDMO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872060835 891133911 /nfs/dbraw/zinc/13/39/11/891133911.db2.gz URGAIABUWOZMOQ-YJBOKZPZSA-N 1 1 387.455 3.541 20 5 GHBDMO CC(C)[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350604 891236251 /nfs/dbraw/zinc/23/62/51/891236251.db2.gz WSOWGYYZDNVJGE-UHFFFAOYSA-N 1 1 376.478 3.669 20 5 GHBDMO CC(C)[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350604 891236269 /nfs/dbraw/zinc/23/62/69/891236269.db2.gz WSOWGYYZDNVJGE-UHFFFAOYSA-N 1 1 376.478 3.669 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000747839759 891338982 /nfs/dbraw/zinc/33/89/82/891338982.db2.gz DNGTXZUCCUXKRP-WMLDXEAASA-N 1 1 393.484 3.729 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000747839759 891338993 /nfs/dbraw/zinc/33/89/93/891338993.db2.gz DNGTXZUCCUXKRP-WMLDXEAASA-N 1 1 393.484 3.729 20 5 GHBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(C(F)(F)F)nc1 ZINC000873186163 891512455 /nfs/dbraw/zinc/51/24/55/891512455.db2.gz HBDUVVOLQGZTOE-JTQLQIEISA-N 1 1 383.326 3.726 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000497493131 891733554 /nfs/dbraw/zinc/73/35/54/891733554.db2.gz SZLOQFFMRONBLY-UHFFFAOYSA-N 1 1 382.420 3.718 20 5 GHBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001184998679 913597541 /nfs/dbraw/zinc/59/75/41/913597541.db2.gz GVOGZUGAZSHDCI-FRRDWIJNSA-N 1 1 377.876 3.970 20 5 GHBDMO O=[N+]([O-])c1cc(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)cc2cc[nH]c21 ZINC001170721298 892153677 /nfs/dbraw/zinc/15/36/77/892153677.db2.gz YXOVKSWBKJDOFT-KESTWPANSA-N 1 1 397.523 3.827 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)cc1 ZINC000918021984 892986356 /nfs/dbraw/zinc/98/63/56/892986356.db2.gz NELZKSUAGXEIQY-UHFFFAOYSA-N 1 1 395.381 3.858 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)CC[C@@H]2C1 ZINC000814676267 893056246 /nfs/dbraw/zinc/05/62/46/893056246.db2.gz GDTULXHVKHCISO-GASCZTMLSA-N 1 1 381.498 3.735 20 5 GHBDMO CCCn1cc[nH+]c1CCCN(C)c1ncc([N+](=O)[O-])c(C)c1Br ZINC000428693697 893278340 /nfs/dbraw/zinc/27/83/40/893278340.db2.gz QXUIQPWRUMMMHT-UHFFFAOYSA-N 1 1 396.289 3.736 20 5 GHBDMO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533873907 893348347 /nfs/dbraw/zinc/34/83/47/893348347.db2.gz BKINWQXELFAPOT-OAQYLSRUSA-N 1 1 397.450 3.673 20 5 GHBDMO O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533873907 893348365 /nfs/dbraw/zinc/34/83/65/893348365.db2.gz BKINWQXELFAPOT-OAQYLSRUSA-N 1 1 397.450 3.673 20 5 GHBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001134820632 893357640 /nfs/dbraw/zinc/35/76/40/893357640.db2.gz LWTMTCQDOYIEBF-AABGKKOBSA-N 1 1 393.487 3.934 20 5 GHBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000815155833 893494411 /nfs/dbraw/zinc/49/44/11/893494411.db2.gz YIQYMUPGVBWIFX-LBPRGKRZSA-N 1 1 385.355 3.679 20 5 GHBDMO COc1ccc2cc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2c1 ZINC000536678809 893525179 /nfs/dbraw/zinc/52/51/79/893525179.db2.gz JZHLRKLYVPRLJK-SFHVURJKSA-N 1 1 378.432 3.838 20 5 GHBDMO CC1(C)CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001135000552 893781088 /nfs/dbraw/zinc/78/10/88/893781088.db2.gz GURXVPOZFPAJCK-UHFFFAOYSA-N 1 1 383.448 3.849 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000563510397 893847452 /nfs/dbraw/zinc/84/74/52/893847452.db2.gz ZKWJVWBQJFDTOS-VXGBXAGGSA-N 1 1 398.301 3.516 20 5 GHBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000563510395 893847958 /nfs/dbraw/zinc/84/79/58/893847958.db2.gz ZKWJVWBQJFDTOS-NWDGAFQWSA-N 1 1 398.301 3.516 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)nc2c1 ZINC000459657590 894000719 /nfs/dbraw/zinc/00/07/19/894000719.db2.gz IKSTYHNRJMBFGY-OAHLLOKOSA-N 1 1 399.369 3.917 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)nc2c1 ZINC000459657590 894000741 /nfs/dbraw/zinc/00/07/41/894000741.db2.gz IKSTYHNRJMBFGY-OAHLLOKOSA-N 1 1 399.369 3.917 20 5 GHBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000935014019 894117598 /nfs/dbraw/zinc/11/75/98/894117598.db2.gz VQTSHXFZVLJVOW-RDTXWAMCSA-N 1 1 391.899 3.656 20 5 GHBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001135244625 894254558 /nfs/dbraw/zinc/25/45/58/894254558.db2.gz FFIUMGZDBXULDD-KBRIMQKVSA-N 1 1 377.510 3.557 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)o1 ZINC000878456075 894305931 /nfs/dbraw/zinc/30/59/31/894305931.db2.gz KNHXTILPNBUWNR-OAQYLSRUSA-N 1 1 392.415 3.666 20 5 GHBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)o1 ZINC000878456075 894305948 /nfs/dbraw/zinc/30/59/48/894305948.db2.gz KNHXTILPNBUWNR-OAQYLSRUSA-N 1 1 392.415 3.666 20 5 GHBDMO Cc1c(CC(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000816453114 894845765 /nfs/dbraw/zinc/84/57/65/894845765.db2.gz KGXDIAFDRJTNJX-IERDGZPVSA-N 1 1 382.460 3.900 20 5 GHBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507031 895684248 /nfs/dbraw/zinc/68/42/48/895684248.db2.gz CGZZALGBCOIZAD-KRWDZBQOSA-N 1 1 389.521 3.797 20 5 GHBDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507031 895684269 /nfs/dbraw/zinc/68/42/69/895684269.db2.gz CGZZALGBCOIZAD-KRWDZBQOSA-N 1 1 389.521 3.797 20 5 GHBDMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507031 895684273 /nfs/dbraw/zinc/68/42/73/895684273.db2.gz CGZZALGBCOIZAD-KRWDZBQOSA-N 1 1 389.521 3.797 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000565814009 895904214 /nfs/dbraw/zinc/90/42/14/895904214.db2.gz VNAFUVFJJUORNK-SUMWQHHRSA-N 1 1 384.354 3.990 20 5 GHBDMO CCc1oc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1C(=O)OC ZINC000567357835 897090188 /nfs/dbraw/zinc/09/01/88/897090188.db2.gz ACQBFDHQBXMENC-UHFFFAOYSA-N 1 1 388.420 3.580 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1F ZINC000820114086 897168456 /nfs/dbraw/zinc/16/84/56/897168456.db2.gz IWGLJBHFLYUZFO-UHFFFAOYSA-N 1 1 389.402 3.530 20 5 GHBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000820687020 897465432 /nfs/dbraw/zinc/46/54/32/897465432.db2.gz OUMMEXZHDKEGHH-OAHLLOKOSA-N 1 1 393.846 3.956 20 5 GHBDMO Cc1cnn([C@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)c1 ZINC000106220047 898260625 /nfs/dbraw/zinc/26/06/25/898260625.db2.gz AOFIWJHPDNFWLP-SFHVURJKSA-N 1 1 381.436 3.634 20 5 GHBDMO Cc1cnn([C@@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)c1 ZINC000106220043 898261369 /nfs/dbraw/zinc/26/13/69/898261369.db2.gz AOFIWJHPDNFWLP-GOSISDBHSA-N 1 1 381.436 3.634 20 5 GHBDMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000569410976 898633343 /nfs/dbraw/zinc/63/33/43/898633343.db2.gz PREWQCCETBSTTI-GUDVDZBRSA-N 1 1 398.459 3.617 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000822826887 898657052 /nfs/dbraw/zinc/65/70/52/898657052.db2.gz JJRFOQZMSFTJLT-QGZVFWFLSA-N 1 1 395.228 3.590 20 5 GHBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000822826887 898657056 /nfs/dbraw/zinc/65/70/56/898657056.db2.gz JJRFOQZMSFTJLT-QGZVFWFLSA-N 1 1 395.228 3.590 20 5 GHBDMO CC(C)(C)c1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000569530003 898751479 /nfs/dbraw/zinc/75/14/79/898751479.db2.gz FXKOXVKIZXHPBW-OXQOHEQNSA-N 1 1 386.452 3.868 20 5 GHBDMO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001171008318 898876213 /nfs/dbraw/zinc/87/62/13/898876213.db2.gz RTBVAUVCBJMQTJ-LBPRGKRZSA-N 1 1 379.819 3.889 20 5 GHBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001171008318 898876220 /nfs/dbraw/zinc/87/62/20/898876220.db2.gz RTBVAUVCBJMQTJ-LBPRGKRZSA-N 1 1 379.819 3.889 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1F ZINC000823268331 898930226 /nfs/dbraw/zinc/93/02/26/898930226.db2.gz HZYFSWHADJWWRX-ZFWWWQNUSA-N 1 1 389.402 3.747 20 5 GHBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000823984984 899342188 /nfs/dbraw/zinc/34/21/88/899342188.db2.gz UCZMNDSIGSYUQI-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000823984984 899342196 /nfs/dbraw/zinc/34/21/96/899342196.db2.gz UCZMNDSIGSYUQI-UHFFFAOYSA-N 1 1 391.830 3.735 20 5 GHBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000332263191 899527830 /nfs/dbraw/zinc/52/78/30/899527830.db2.gz BHURROSCSDLCKF-GUTXKFCHSA-N 1 1 397.422 3.674 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000570833452 899626132 /nfs/dbraw/zinc/62/61/32/899626132.db2.gz YHZDRNZRBRKMHN-LJQANCHMSA-N 1 1 380.423 3.878 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000824820354 899826045 /nfs/dbraw/zinc/82/60/45/899826045.db2.gz DJAKQPZWAQBBPT-OAHLLOKOSA-N 1 1 399.403 3.749 20 5 GHBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000778827226 900254090 /nfs/dbraw/zinc/25/40/90/900254090.db2.gz FYTRIGAFJRBZGL-UHFFFAOYSA-N 1 1 396.241 3.808 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1Cl ZINC000844051990 900472027 /nfs/dbraw/zinc/47/20/27/900472027.db2.gz TVMGZXWEVCSZOA-WBVHZDCISA-N 1 1 387.867 3.632 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000844361825 900770098 /nfs/dbraw/zinc/77/00/98/900770098.db2.gz ZYZTUBROZKMEOE-KSSFIOAISA-N 1 1 381.498 3.783 20 5 GHBDMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000844361825 900770107 /nfs/dbraw/zinc/77/01/07/900770107.db2.gz ZYZTUBROZKMEOE-KSSFIOAISA-N 1 1 381.498 3.783 20 5 GHBDMO COC(=O)/C=C/c1ccc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000772904630 900838565 /nfs/dbraw/zinc/83/85/65/900838565.db2.gz RPXAPHKGCSDMBB-UGAXZCSASA-N 1 1 375.469 3.561 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](O)CC3)o2)c(Br)c1 ZINC000574429303 900888078 /nfs/dbraw/zinc/88/80/78/900888078.db2.gz DAJCFRQPLUZAEA-ZDUSSCGKSA-N 1 1 395.253 3.964 20 5 GHBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000886290990 900920483 /nfs/dbraw/zinc/92/04/83/900920483.db2.gz TYZHKYLARQCRAM-UHFFFAOYSA-N 1 1 393.422 3.966 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000886698801 901232691 /nfs/dbraw/zinc/23/26/91/901232691.db2.gz NDUPXXLATTWYED-AWEZNQCLSA-N 1 1 399.476 3.864 20 5 GHBDMO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000886698801 901232706 /nfs/dbraw/zinc/23/27/06/901232706.db2.gz NDUPXXLATTWYED-AWEZNQCLSA-N 1 1 399.476 3.864 20 5 GHBDMO C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000575847022 901376391 /nfs/dbraw/zinc/37/63/91/901376391.db2.gz CFSXPOXHNJGOMH-WMQCIHAUSA-N 1 1 393.487 3.679 20 5 GHBDMO Cn1ccnc1[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000846110401 902687620 /nfs/dbraw/zinc/68/76/20/902687620.db2.gz MKLGZZUNWLXCCK-DZGCQCFKSA-N 1 1 383.279 3.981 20 5 GHBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1scnc1C ZINC001147385301 903775832 /nfs/dbraw/zinc/77/58/32/903775832.db2.gz AFZCLWGOPHZLAT-UHFFFAOYSA-N 1 1 378.457 3.708 20 5 GHBDMO Cc1ccc2c(C)cc(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)[nH+]c2c1 ZINC000578739261 904090587 /nfs/dbraw/zinc/09/05/87/904090587.db2.gz GWCUWZMCYKMIPU-UHFFFAOYSA-N 1 1 390.443 3.722 20 5 GHBDMO CC[N@H+](CCOc1ccccc1C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001171353566 904344425 /nfs/dbraw/zinc/34/44/25/904344425.db2.gz NMMPNJZXPWBGKT-UHFFFAOYSA-N 1 1 382.420 3.854 20 5 GHBDMO CC[N@@H+](CCOc1ccccc1C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001171353566 904344440 /nfs/dbraw/zinc/34/44/40/904344440.db2.gz NMMPNJZXPWBGKT-UHFFFAOYSA-N 1 1 382.420 3.854 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000773256409 904619788 /nfs/dbraw/zinc/61/97/88/904619788.db2.gz KMIJHYXAADPMPT-KBPBESRZSA-N 1 1 377.466 3.968 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000773256409 904619792 /nfs/dbraw/zinc/61/97/92/904619792.db2.gz KMIJHYXAADPMPT-KBPBESRZSA-N 1 1 377.466 3.968 20 5 GHBDMO C[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](Cc2ccccc2)C1 ZINC001171735184 905017008 /nfs/dbraw/zinc/01/70/08/905017008.db2.gz PPMJTNSQDGASTH-NRFANRHFSA-N 1 1 392.459 3.609 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC001171740853 905028751 /nfs/dbraw/zinc/02/87/51/905028751.db2.gz IWOPORKHVXKEDA-HNNXBMFYSA-N 1 1 383.448 3.594 20 5 GHBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC[C@H]21 ZINC001171815454 905074241 /nfs/dbraw/zinc/07/42/41/905074241.db2.gz WNZFWGOCNFMBMV-DNVCBOLYSA-N 1 1 381.432 3.553 20 5 GHBDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC001171910854 905140853 /nfs/dbraw/zinc/14/08/53/905140853.db2.gz ALEDTBMPCRXWJK-HXUWFJFHSA-N 1 1 398.459 3.915 20 5 GHBDMO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000801562685 921136543 /nfs/dbraw/zinc/13/65/43/921136543.db2.gz ZZNQQDSXYZNKEP-UHFFFAOYSA-N 1 1 381.885 3.756 20 5 GHBDMO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000801562685 921136548 /nfs/dbraw/zinc/13/65/48/921136548.db2.gz ZZNQQDSXYZNKEP-UHFFFAOYSA-N 1 1 381.885 3.756 20 5 GHBDMO CCOC[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2c1cnn2CC ZINC001172905855 905930812 /nfs/dbraw/zinc/93/08/12/905930812.db2.gz VIORKGQGLKMQAO-RBUKOAKNSA-N 1 1 398.507 3.695 20 5 GHBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2c1cnn2CC ZINC001172905855 905930830 /nfs/dbraw/zinc/93/08/30/905930830.db2.gz VIORKGQGLKMQAO-RBUKOAKNSA-N 1 1 398.507 3.695 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1F ZINC001173180757 906259390 /nfs/dbraw/zinc/25/93/90/906259390.db2.gz MXOZHLBNLYDEFQ-CYBMUJFWSA-N 1 1 390.411 3.577 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@@H](Oc3cccnc3)C2)c1F ZINC001173189219 906269108 /nfs/dbraw/zinc/26/91/08/906269108.db2.gz JPNBFBVFZGZBNK-GDBMZVCRSA-N 1 1 389.427 3.612 20 5 GHBDMO COc1ccc(CC2([NH3+])CCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001173221091 906298420 /nfs/dbraw/zinc/29/84/20/906298420.db2.gz FOJPXAPKBSSZKJ-QGZVFWFLSA-N 1 1 383.492 3.570 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173222096 906298841 /nfs/dbraw/zinc/29/88/41/906298841.db2.gz PCNJYFGPLFDMJU-WBVHZDCISA-N 1 1 377.485 3.905 20 5 GHBDMO Cc1cccc(N2C[C@@]3(CC[N@H+]([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C3)CC2=O)c1 ZINC001173223793 906304863 /nfs/dbraw/zinc/30/48/63/906304863.db2.gz CRPNZWXZOFGVGX-JPYJTQIMSA-N 1 1 393.487 3.963 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001173226963 906308886 /nfs/dbraw/zinc/30/88/86/906308886.db2.gz NABPVFNKBIHXBM-INIZCTEOSA-N 1 1 384.480 3.555 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001173228346 906312808 /nfs/dbraw/zinc/31/28/08/906312808.db2.gz VBKPADSVYLFYSM-MRXNPFEDSA-N 1 1 389.496 3.859 20 5 GHBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173231743 906316181 /nfs/dbraw/zinc/31/61/81/906316181.db2.gz CWSWCIJFJDFGNO-HLLBOEOZSA-N 1 1 377.485 3.761 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173231742 906316860 /nfs/dbraw/zinc/31/68/60/906316860.db2.gz CWSWCIJFJDFGNO-BFYDXBDKSA-N 1 1 377.485 3.761 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001173233366 906318181 /nfs/dbraw/zinc/31/81/81/906318181.db2.gz VUZKWLQNGDLDMH-SUMDDJOVSA-N 1 1 389.496 3.857 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173233279 906318795 /nfs/dbraw/zinc/31/87/95/906318795.db2.gz VDMFDSXPARMPBE-QIJUGHKUSA-N 1 1 379.504 3.980 20 5 GHBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173233279 906318806 /nfs/dbraw/zinc/31/88/06/906318806.db2.gz VDMFDSXPARMPBE-QIJUGHKUSA-N 1 1 379.504 3.980 20 5 GHBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180532486 906788653 /nfs/dbraw/zinc/78/86/53/906788653.db2.gz UCFHFOOIWXSPQM-ZDUSSCGKSA-N 1 1 398.301 3.742 20 5 GHBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@]3(CO)c3ccccc3)co2)cc1 ZINC001176959720 908329310 /nfs/dbraw/zinc/32/93/10/908329310.db2.gz OLOQQPZQPTYJIK-NRFANRHFSA-N 1 1 379.416 3.733 20 5 GHBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191499849 908632411 /nfs/dbraw/zinc/63/24/11/908632411.db2.gz QEKFBYRKRKCZNS-UHFFFAOYSA-N 1 1 383.452 3.921 20 5 GHBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193879871 908779462 /nfs/dbraw/zinc/77/94/62/908779462.db2.gz HSIJGLTTYBRGPO-SFHVURJKSA-N 1 1 382.464 3.855 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CCOc1ccc(F)cc1F ZINC001177954515 908836899 /nfs/dbraw/zinc/83/68/99/908836899.db2.gz GKTJFSQQLTXBDT-UHFFFAOYSA-N 1 1 387.180 3.804 20 5 GHBDMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000194930901 908940966 /nfs/dbraw/zinc/94/09/66/908940966.db2.gz LVZCGFVJKYEVPO-OAHLLOKOSA-N 1 1 397.435 3.683 20 5 GHBDMO COc1cc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cc(OC)c1 ZINC001179457537 909537384 /nfs/dbraw/zinc/53/73/84/909537384.db2.gz GKNCPVGMUJPRBL-UHFFFAOYSA-N 1 1 381.226 3.664 20 5 GHBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000267948757 909704314 /nfs/dbraw/zinc/70/43/14/909704314.db2.gz GCWJMRYFSAZZFL-UHFFFAOYSA-N 1 1 393.487 3.577 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC001179914342 909833103 /nfs/dbraw/zinc/83/31/03/909833103.db2.gz UQRUSWHVQYNKFH-KKSFZXQISA-N 1 1 387.480 3.816 20 5 GHBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001180097158 909916782 /nfs/dbraw/zinc/91/67/82/909916782.db2.gz BYQOCMQNRAHSOZ-SFHVURJKSA-N 1 1 386.448 3.600 20 5 GHBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@@H](O)c4cccc([N+](=O)[O-])c4)C3)nc2c1 ZINC000246178201 910154551 /nfs/dbraw/zinc/15/45/51/910154551.db2.gz WCDRTPFZEHKPSJ-OXJNMPFZSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@H]3CCC[N@H+](C[C@@H](O)c4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000246178201 910154554 /nfs/dbraw/zinc/15/45/54/910154554.db2.gz WCDRTPFZEHKPSJ-OXJNMPFZSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@@H](O)c4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000246178201 910154561 /nfs/dbraw/zinc/15/45/61/910154561.db2.gz WCDRTPFZEHKPSJ-OXJNMPFZSA-N 1 1 380.448 3.693 20 5 GHBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H]1COC(C)(C)O1 ZINC001181746140 910953929 /nfs/dbraw/zinc/95/39/29/910953929.db2.gz ZBHISSHONKCOBQ-HXUWFJFHSA-N 1 1 379.460 3.852 20 5 GHBDMO Cn1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C2CCOCC2)n1 ZINC001181880163 911057020 /nfs/dbraw/zinc/05/70/20/911057020.db2.gz NWNQJDWZXVDJJI-SFHVURJKSA-N 1 1 384.480 3.602 20 5 GHBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000795550396 911077376 /nfs/dbraw/zinc/07/73/76/911077376.db2.gz BXRFAONKTDKYTM-CYBMUJFWSA-N 1 1 385.247 3.773 20 5 GHBDMO COc1cccc(C(=O)O[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000774187660 911473133 /nfs/dbraw/zinc/47/31/33/911473133.db2.gz GJZFWWXQBNDVAO-DOTOQJQBSA-N 1 1 384.432 3.671 20 5 GHBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1ncc(Br)c1C1CC1 ZINC000795643881 911647807 /nfs/dbraw/zinc/64/78/07/911647807.db2.gz BIIXAJDKZNWPQP-UHFFFAOYSA-N 1 1 379.258 3.563 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1ncc(Br)c1C1CC1 ZINC000795643881 911647810 /nfs/dbraw/zinc/64/78/10/911647810.db2.gz BIIXAJDKZNWPQP-UHFFFAOYSA-N 1 1 379.258 3.563 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000774518619 911887554 /nfs/dbraw/zinc/88/75/54/911887554.db2.gz WEFHXOCYBVCTIK-NVXWUHKLSA-N 1 1 396.447 3.799 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001186923440 914904931 /nfs/dbraw/zinc/90/49/31/914904931.db2.gz VVIPIJJGOBLMAM-VQTJNVASSA-N 1 1 387.867 3.728 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)cc1 ZINC000796363022 915000069 /nfs/dbraw/zinc/00/00/69/915000069.db2.gz LECZDZZYYIXTOZ-GOTSBHOMSA-N 1 1 392.455 3.864 20 5 GHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000802010152 921753700 /nfs/dbraw/zinc/75/37/00/921753700.db2.gz CIFPTLRDVHUTCF-HXUWFJFHSA-N 1 1 375.469 3.818 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000303959315 915323297 /nfs/dbraw/zinc/32/32/97/915323297.db2.gz YTPFBJFHHZWFOU-IBGZPJMESA-N 1 1 383.448 3.996 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000303959315 915323318 /nfs/dbraw/zinc/32/33/18/915323318.db2.gz YTPFBJFHHZWFOU-IBGZPJMESA-N 1 1 383.448 3.996 20 5 GHBDMO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000293388033 916169023 /nfs/dbraw/zinc/16/90/23/916169023.db2.gz NKWNRCFTKRYIFZ-YVEFUNNKSA-N 1 1 397.397 3.703 20 5 GHBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000775204560 916254916 /nfs/dbraw/zinc/25/49/16/916254916.db2.gz PAUZNEZYRJDDKU-NQIIRXRSSA-N 1 1 379.500 3.839 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000293845119 916417941 /nfs/dbraw/zinc/41/79/41/916417941.db2.gz QVDKQRIKFFZEFE-GFCCVEGCSA-N 1 1 395.385 3.920 20 5 GHBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000293845119 916417951 /nfs/dbraw/zinc/41/79/51/916417951.db2.gz QVDKQRIKFFZEFE-GFCCVEGCSA-N 1 1 395.385 3.920 20 5 GHBDMO CC1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001190883592 917628081 /nfs/dbraw/zinc/62/80/81/917628081.db2.gz JMFDBRFQZHPZNM-UHFFFAOYSA-N 1 1 396.491 3.520 20 5 GHBDMO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001190883592 917628087 /nfs/dbraw/zinc/62/80/87/917628087.db2.gz JMFDBRFQZHPZNM-UHFFFAOYSA-N 1 1 396.491 3.520 20 5 GHBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001190883592 917628089 /nfs/dbraw/zinc/62/80/89/917628089.db2.gz JMFDBRFQZHPZNM-UHFFFAOYSA-N 1 1 396.491 3.520 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001191121252 917766499 /nfs/dbraw/zinc/76/64/99/917766499.db2.gz ITPVMWQFDLHTMD-INIZCTEOSA-N 1 1 385.464 3.803 20 5 GHBDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1C ZINC001191145131 917811497 /nfs/dbraw/zinc/81/14/97/917811497.db2.gz MBBBWHYGXGAMSA-FQEVSTJZSA-N 1 1 379.460 3.938 20 5 GHBDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC001191257737 917853107 /nfs/dbraw/zinc/85/31/07/917853107.db2.gz KPZHYZIANNDPMI-FCEWJHQRSA-N 1 1 388.464 3.963 20 5 GHBDMO O=C(C1CC1)N1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000119056321 919601618 /nfs/dbraw/zinc/60/16/18/919601618.db2.gz WJQKWJOAXSUOMB-UHFFFAOYSA-N 1 1 385.489 3.768 20 5 GHBDMO Cc1nn(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000800864345 920542164 /nfs/dbraw/zinc/54/21/64/920542164.db2.gz RWGSBOIMGZFFHR-AWEZNQCLSA-N 1 1 383.374 3.660 20 5 GHBDMO Cc1nn(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000800864345 920542170 /nfs/dbraw/zinc/54/21/70/920542170.db2.gz RWGSBOIMGZFFHR-AWEZNQCLSA-N 1 1 383.374 3.660 20 5 GHBDMO COc1ccc(CN[C@@H](CCCC[NH3+])c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000902363189 922124586 /nfs/dbraw/zinc/12/45/86/922124586.db2.gz ZBRMQGBCGHHBPS-KRWDZBQOSA-N 1 1 379.407 3.842 20 5 GHBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000369782383 923617637 /nfs/dbraw/zinc/61/76/37/923617637.db2.gz DGMXAYBEOFMDCZ-UHFFFAOYSA-N 1 1 397.460 3.701 20 5 GHBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000410055324 925279597 /nfs/dbraw/zinc/27/95/97/925279597.db2.gz VWMYWBVWFWXFFB-HXUWFJFHSA-N 1 1 399.466 3.937 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(Cc4ccc(F)cc4)CC3)n2)c1 ZINC000725777828 926434903 /nfs/dbraw/zinc/43/49/03/926434903.db2.gz LWCIEZQJDJLCFY-UHFFFAOYSA-N 1 1 395.438 3.905 20 5 GHBDMO CCCC[N@@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000726590439 926746844 /nfs/dbraw/zinc/74/68/44/926746844.db2.gz ZFPXWHPHHFMCAJ-UHFFFAOYSA-N 1 1 388.468 3.756 20 5 GHBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411782947 926765110 /nfs/dbraw/zinc/76/51/10/926765110.db2.gz ALFTTWRRSYHIMG-VXGBXAGGSA-N 1 1 389.374 3.595 20 5 GHBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC000374253603 926937777 /nfs/dbraw/zinc/93/77/77/926937777.db2.gz AFXYEHXQYDOECB-JXFKEZNVSA-N 1 1 396.447 3.676 20 5 GHBDMO Cc1ccc(CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)cc1 ZINC000750077210 927423229 /nfs/dbraw/zinc/42/32/29/927423229.db2.gz MGPGHMSNNKSVBN-FGZHOGPDSA-N 1 1 384.476 3.660 20 5 GHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000750079126 927424074 /nfs/dbraw/zinc/42/40/74/927424074.db2.gz HGWMGNRRXXXKOK-OAHLLOKOSA-N 1 1 387.867 3.985 20 5 GHBDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000374806697 927542826 /nfs/dbraw/zinc/54/28/26/927542826.db2.gz NBFNXVYWEMWGTF-KRWDZBQOSA-N 1 1 397.479 3.826 20 5 GHBDMO O=C(Oc1cccc([N+](=O)[O-])c1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000751041075 927998184 /nfs/dbraw/zinc/99/81/84/927998184.db2.gz VYZYEPXVEOAMPV-SFHVURJKSA-N 1 1 394.349 3.955 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2CCCOC2)cc1OC ZINC000543846039 928494094 /nfs/dbraw/zinc/49/40/94/928494094.db2.gz YVIXDSHHGOSANX-HOTGVXAUSA-N 1 1 380.485 3.887 20 5 GHBDMO C/C(=C/C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751983013 928528991 /nfs/dbraw/zinc/52/89/91/928528991.db2.gz DIGHTMGOLBXTOY-XLEPWJDSSA-N 1 1 393.487 3.679 20 5 GHBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000752069496 928582481 /nfs/dbraw/zinc/58/24/81/928582481.db2.gz PEYAFCXRNKSMCX-CVEARBPZSA-N 1 1 393.484 3.599 20 5 GHBDMO C[N@@H+](CCc1cccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1)C1CC1 ZINC000544058631 928749063 /nfs/dbraw/zinc/74/90/63/928749063.db2.gz FIAOHXPBTRUWAB-UHFFFAOYSA-N 1 1 385.489 3.962 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000544111001 928818093 /nfs/dbraw/zinc/81/80/93/928818093.db2.gz JLKDLSOOUDDSJO-XOBRGWDASA-N 1 1 383.448 3.933 20 5 GHBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000544111001 928818105 /nfs/dbraw/zinc/81/81/05/928818105.db2.gz JLKDLSOOUDDSJO-XOBRGWDASA-N 1 1 383.448 3.933 20 5 GHBDMO CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544143759 928861819 /nfs/dbraw/zinc/86/18/19/928861819.db2.gz JMKYGBXCEFDOEL-KRWDZBQOSA-N 1 1 376.428 3.774 20 5 GHBDMO Cc1ccc(-c2noc([C@@H](C)[NH2+]CCOc3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000544508822 929243293 /nfs/dbraw/zinc/24/32/93/929243293.db2.gz DTHCZGBBSJUNLN-CYBMUJFWSA-N 1 1 386.383 3.822 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000467691384 929306790 /nfs/dbraw/zinc/30/67/90/929306790.db2.gz NQSOTDKBJJJMQE-PXNSSMCTSA-N 1 1 396.491 3.566 20 5 GHBDMO C[C@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000467690209 929306891 /nfs/dbraw/zinc/30/68/91/929306891.db2.gz CCJRBQCWZQGZAK-KXBFYZLASA-N 1 1 394.475 3.562 20 5 GHBDMO CCc1ccc([C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753668344 929471359 /nfs/dbraw/zinc/47/13/59/929471359.db2.gz HNMUKNLMPYTNEE-WXTAPIANSA-N 1 1 378.494 3.976 20 5 GHBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000469193098 929673960 /nfs/dbraw/zinc/67/39/60/929673960.db2.gz GOGTXOSNPBPMHN-UHFFFAOYSA-N 1 1 392.458 3.610 20 5 GHBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[N@H+]1Cc1ccccc1 ZINC000757784427 929798286 /nfs/dbraw/zinc/79/82/86/929798286.db2.gz BKPVPUCPABNRKB-YJBOKZPZSA-N 1 1 394.475 3.562 20 5 GHBDMO CNC(=O)c1ccc(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c([N+](=O)[O-])c1 ZINC000469550752 929983542 /nfs/dbraw/zinc/98/35/42/929983542.db2.gz YQNUDZYOXYVVEV-LJQANCHMSA-N 1 1 384.480 3.523 20 5 GHBDMO Cc1nn(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000758265351 929995160 /nfs/dbraw/zinc/99/51/60/929995160.db2.gz WRNCOQFJNPZBEV-LPHOPBHVSA-N 1 1 399.426 3.597 20 5 GHBDMO CC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC000758940285 930222593 /nfs/dbraw/zinc/22/25/93/930222593.db2.gz MXTIXMRPAIFOQJ-SFHVURJKSA-N 1 1 394.475 3.580 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000470001928 930308139 /nfs/dbraw/zinc/30/81/39/930308139.db2.gz ZNXQJSIFYPUDLI-CQSZACIVSA-N 1 1 389.374 3.595 20 5 GHBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000781966437 931045066 /nfs/dbraw/zinc/04/50/66/931045066.db2.gz MGTSTSUDNFHLBI-UHFFFAOYSA-N 1 1 377.282 3.505 20 5 GHBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000782499126 931243520 /nfs/dbraw/zinc/24/35/20/931243520.db2.gz LNLDBRPUFXKXMR-ZMYBRWDISA-N 1 1 393.459 3.588 20 5 GHBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000783556134 931581169 /nfs/dbraw/zinc/58/11/69/931581169.db2.gz GZPLWBVEUTWTJR-UHFFFAOYSA-N 1 1 387.867 3.985 20 5 GHBDMO COC1CCN(C2(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)CCCC2)CC1 ZINC000783634424 931601832 /nfs/dbraw/zinc/60/18/32/931601832.db2.gz CUDNTWPHSHIAQQ-UHFFFAOYSA-N 1 1 381.904 3.761 20 5 GHBDMO CCC[N@@H+](C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000557681932 931609993 /nfs/dbraw/zinc/60/99/93/931609993.db2.gz PCICDYXXKZIBBH-QGZVFWFLSA-N 1 1 390.871 3.842 20 5 GHBDMO C/C(=C/C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000783929374 931720882 /nfs/dbraw/zinc/72/08/82/931720882.db2.gz UVBIPHOOEPWZTP-KAMYIIQDSA-N 1 1 394.406 3.948 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000784007685 931752718 /nfs/dbraw/zinc/75/27/18/931752718.db2.gz KNHMHBOMWLBVJP-MGPUTAFESA-N 1 1 393.447 3.903 20 5 GHBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000784007685 931752725 /nfs/dbraw/zinc/75/27/25/931752725.db2.gz KNHMHBOMWLBVJP-MGPUTAFESA-N 1 1 393.447 3.903 20 5 GHBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cc([N+](=O)[O-])ccc1F ZINC000784328849 931857560 /nfs/dbraw/zinc/85/75/60/931857560.db2.gz SLAQYMVMEVBMJK-LDQXTDLNSA-N 1 1 397.450 3.764 20 5 GHBDMO O=C(CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558743785 932206908 /nfs/dbraw/zinc/20/69/08/932206908.db2.gz XMGGHFSMHSJAQT-OAHLLOKOSA-N 1 1 385.386 3.978 20 5 GHBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000558761308 932217818 /nfs/dbraw/zinc/21/78/18/932217818.db2.gz ADQRFIUEZDWXEH-SFHVURJKSA-N 1 1 387.436 3.544 20 5 GHBDMO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(Br)c1O ZINC000559071932 932411938 /nfs/dbraw/zinc/41/19/38/932411938.db2.gz KNPWGDUOAZZDKP-UHFFFAOYSA-N 1 1 395.253 3.746 20 5 GHBDMO COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(Br)c1O ZINC000559071932 932411940 /nfs/dbraw/zinc/41/19/40/932411940.db2.gz KNPWGDUOAZZDKP-UHFFFAOYSA-N 1 1 395.253 3.746 20 5 GHBDMO C[C@]1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+](Cc2ccccc2)C1 ZINC000798401635 932631824 /nfs/dbraw/zinc/63/18/24/932631824.db2.gz ZVGYOUOYIHGBRF-JOCHJYFZSA-N 1 1 394.475 3.804 20 5 GHBDMO C[C@@]1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798523892 932686904 /nfs/dbraw/zinc/68/69/04/932686904.db2.gz PXRINODQCIPABG-NRFANRHFSA-N 1 1 399.516 3.715 20 5 GHBDMO C[C@]1(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000798525375 932690392 /nfs/dbraw/zinc/69/03/92/932690392.db2.gz RVIZTZQPUWCVMX-HXUWFJFHSA-N 1 1 389.402 3.515 20 5 GHBDMO C[C@]1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798527086 932690408 /nfs/dbraw/zinc/69/04/08/932690408.db2.gz MXASPZISTPBWME-JOCHJYFZSA-N 1 1 381.476 3.556 20 5 GHBDMO C[C@@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000798528813 932692665 /nfs/dbraw/zinc/69/26/65/932692665.db2.gz GEJJIFIPKMBCJL-OPAMFIHVSA-N 1 1 399.466 3.866 20 5 GHBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2Cc2ccccc2Br)n1 ZINC000559478981 932699071 /nfs/dbraw/zinc/69/90/71/932699071.db2.gz HAAHHYJRYXJXCE-HNNXBMFYSA-N 1 1 393.285 3.651 20 5 GHBDMO CC1(c2ccc(Br)cc2)CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000799570587 933043833 /nfs/dbraw/zinc/04/38/33/933043833.db2.gz CNNMUHJMPWSGRK-UHFFFAOYSA-N 1 1 379.258 3.565 20 5 GHBDMO Cc1cnc(N2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)s1 ZINC000560551433 933335161 /nfs/dbraw/zinc/33/51/61/933335161.db2.gz KXPFBZYTJBDOEO-UHFFFAOYSA-N 1 1 384.461 3.942 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001116105506 933337586 /nfs/dbraw/zinc/33/75/86/933337586.db2.gz XVQJDYOKBSTFOM-NRFANRHFSA-N 1 1 379.460 3.847 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000777807340 933561365 /nfs/dbraw/zinc/56/13/65/933561365.db2.gz JRPPJYKKOXGJOA-PKOBYXMFSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000777807340 933561371 /nfs/dbraw/zinc/56/13/71/933561371.db2.gz JRPPJYKKOXGJOA-PKOBYXMFSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000777807340 933561379 /nfs/dbraw/zinc/56/13/79/933561379.db2.gz JRPPJYKKOXGJOA-PKOBYXMFSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000777807337 933561391 /nfs/dbraw/zinc/56/13/91/933561391.db2.gz JRPPJYKKOXGJOA-HKUYNNGSSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000777807337 933561394 /nfs/dbraw/zinc/56/13/94/933561394.db2.gz JRPPJYKKOXGJOA-HKUYNNGSSA-N 1 1 399.495 3.674 20 5 GHBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000777807337 933561399 /nfs/dbraw/zinc/56/13/99/933561399.db2.gz JRPPJYKKOXGJOA-HKUYNNGSSA-N 1 1 399.495 3.674 20 5 GHBDMO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000561233315 933981190 /nfs/dbraw/zinc/98/11/90/933981190.db2.gz GLKRUOHFTQZPNP-DOTOQJQBSA-N 1 1 398.463 3.550 20 5 GHBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000561532375 934246595 /nfs/dbraw/zinc/24/65/95/934246595.db2.gz PRIMYEGNEAAVJA-AWEZNQCLSA-N 1 1 377.510 3.653 20 5 GHBDMO COc1ccc(CCC[N@@H+](C)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1 ZINC000777953621 934358812 /nfs/dbraw/zinc/35/88/12/934358812.db2.gz IGIRRHXNBHROMK-UHFFFAOYSA-N 1 1 380.448 3.989 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1C ZINC001119505712 934362251 /nfs/dbraw/zinc/36/22/51/934362251.db2.gz UFWMNYKYGYTBAD-UHFFFAOYSA-N 1 1 382.464 3.606 20 5 GHBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000777953861 934369524 /nfs/dbraw/zinc/36/95/24/934369524.db2.gz AWMHPXFPXFZBHD-PBHICJAKSA-N 1 1 389.402 3.638 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCCO[C@H](c4ccccc4)C3)c2)c1 ZINC000777956489 934381788 /nfs/dbraw/zinc/38/17/88/934381788.db2.gz MEZRDJPPUVHWQE-NRFANRHFSA-N 1 1 378.432 3.879 20 5 GHBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCCO[C@H](c4ccccc4)C3)c2)c1 ZINC000777956489 934381796 /nfs/dbraw/zinc/38/17/96/934381796.db2.gz MEZRDJPPUVHWQE-NRFANRHFSA-N 1 1 378.432 3.879 20 5 GHBDMO C[N@H+](C[C@@H]1OCCc2ccccc21)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957914 934385595 /nfs/dbraw/zinc/38/55/95/934385595.db2.gz ZBHFZZSKIHBBKC-NRFANRHFSA-N 1 1 378.432 3.662 20 5 GHBDMO C[N@@H+](C[C@@H]1OCCc2ccccc21)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957914 934385605 /nfs/dbraw/zinc/38/56/05/934385605.db2.gz ZBHFZZSKIHBBKC-NRFANRHFSA-N 1 1 378.432 3.662 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cccc1[N+](=O)[O-] ZINC000931912440 934762679 /nfs/dbraw/zinc/76/26/79/934762679.db2.gz CDXUSXMWSQDACD-IAQYHMDHSA-N 1 1 389.349 3.597 20 5 GHBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cccc1[N+](=O)[O-] ZINC000931912440 934762682 /nfs/dbraw/zinc/76/26/82/934762682.db2.gz CDXUSXMWSQDACD-IAQYHMDHSA-N 1 1 389.349 3.597 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3Cc4ccccc4OC4(CCOCC4)C3)nc2c1 ZINC000932042084 934808276 /nfs/dbraw/zinc/80/82/76/934808276.db2.gz JRKWAQSJMAZLRV-UHFFFAOYSA-N 1 1 395.415 3.680 20 5 GHBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3Cc4ccccc4OC4(CCOCC4)C3)nc2c1 ZINC000932042084 934808282 /nfs/dbraw/zinc/80/82/82/934808282.db2.gz JRKWAQSJMAZLRV-UHFFFAOYSA-N 1 1 395.415 3.680 20 5 GHBDMO C[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562395091 934849779 /nfs/dbraw/zinc/84/97/79/934849779.db2.gz LAAGOLXBXPWBCB-KRWDZBQOSA-N 1 1 393.487 3.748 20 5 GHBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001123267316 935135290 /nfs/dbraw/zinc/13/52/90/935135290.db2.gz AODMGDBCMRIVEB-CQSZACIVSA-N 1 1 378.473 3.626 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000828145366 935585542 /nfs/dbraw/zinc/58/55/42/935585542.db2.gz DCEGVJQDYNTTLP-KBPBESRZSA-N 1 1 379.888 3.939 20 5 GHBDMO Cc1cc(Cl)c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000828145369 935585675 /nfs/dbraw/zinc/58/56/75/935585675.db2.gz DCEGVJQDYNTTLP-ZIAGYGMSSA-N 1 1 379.888 3.939 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001460978238 1069312909 /nfs/dbraw/zinc/31/29/09/1069312909.db2.gz ZAGLGPMRVJPLAT-CVEARBPZSA-N 1 1 399.495 3.753 20 5 GHBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001460978238 1069312926 /nfs/dbraw/zinc/31/29/26/1069312926.db2.gz ZAGLGPMRVJPLAT-CVEARBPZSA-N 1 1 399.495 3.753 20 5 GHBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544850932 1015103027 /nfs/dbraw/zinc/10/30/27/1015103027.db2.gz GXTHWNCRQFDRDT-QGZVFWFLSA-N 1 1 387.867 3.985 20 5 GHBDMO Nc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)cc1[N+](=O)[O-] ZINC000544931518 1015233723 /nfs/dbraw/zinc/23/37/23/1015233723.db2.gz PLFFLLLNRQKNPR-HNNXBMFYSA-N 1 1 397.410 3.746 20 5 GHBDMO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC000545833147 1016481276 /nfs/dbraw/zinc/48/12/76/1016481276.db2.gz QJLPLHAODHGECH-OAHLLOKOSA-N 1 1 387.455 3.648 20 5 GHBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H]1C ZINC000470155676 1016739751 /nfs/dbraw/zinc/73/97/51/1016739751.db2.gz BKMCIZLABFPMQL-FZMZJTMJSA-N 1 1 378.812 3.892 20 5 GHBDMO N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCc1ccccc1C[NH3+] ZINC001220854960 1032153532 /nfs/dbraw/zinc/15/35/32/1032153532.db2.gz FYCONGHWKKOTRN-DEOSSOPVSA-N 1 1 383.495 3.638 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001227123967 1032279843 /nfs/dbraw/zinc/27/98/43/1032279843.db2.gz IBAFNIDYOXJTLU-CQSZACIVSA-N 1 1 390.823 3.688 20 5 GHBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001227123967 1032279853 /nfs/dbraw/zinc/27/98/53/1032279853.db2.gz IBAFNIDYOXJTLU-CQSZACIVSA-N 1 1 390.823 3.688 20 5 GHBDMO Cc1nc(Cl)nc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001227340344 1032381835 /nfs/dbraw/zinc/38/18/35/1032381835.db2.gz OBOGJCATSWUXOL-ZDUSSCGKSA-N 1 1 380.807 3.529 20 5 GHBDMO Cc1nc(Cl)nc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001227340344 1032381845 /nfs/dbraw/zinc/38/18/45/1032381845.db2.gz OBOGJCATSWUXOL-ZDUSSCGKSA-N 1 1 380.807 3.529 20 5 GHBDMO CCN(CC)C(=O)C1([NH2+]Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCCCC1 ZINC000777957311 1017926515 /nfs/dbraw/zinc/92/65/15/1017926515.db2.gz FLHUJTFJJDVAPU-UHFFFAOYSA-N 1 1 399.495 3.577 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932800817 1018677269 /nfs/dbraw/zinc/67/72/69/1018677269.db2.gz MLJUPJHWQZVWTH-IAGOWNOFSA-N 1 1 391.487 3.780 20 5 GHBDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000571843907 1019719382 /nfs/dbraw/zinc/71/93/82/1019719382.db2.gz QKTINXDKUSXHRU-UHFFFAOYSA-N 1 1 395.459 3.788 20 5 GHBDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796105355 1021109158 /nfs/dbraw/zinc/10/91/58/1021109158.db2.gz AYVXPZMFDPUZAT-QGZVFWFLSA-N 1 1 384.354 3.701 20 5 GHBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccccc2Br)cc1F ZINC000801539091 1021410336 /nfs/dbraw/zinc/41/03/36/1021410336.db2.gz UUDIDWIDEJBVNG-OAHLLOKOSA-N 1 1 383.217 3.710 20 5 GHBDMO CN1CC[NH+](Cc2cccc(Nc3c(N)c4cccnc4c4ncccc43)c2)CC1 ZINC001204574150 1032980540 /nfs/dbraw/zinc/98/05/40/1032980540.db2.gz IDWVYFPLUVKMET-UHFFFAOYSA-N 1 1 398.514 3.856 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001156388739 1033010951 /nfs/dbraw/zinc/01/09/51/1033010951.db2.gz KTMWFCYCZLVZBO-UHFFFAOYSA-N 1 1 397.262 3.741 20 5 GHBDMO C[N@H+]1CCC[C@@H](CCNc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001156386587 1033011218 /nfs/dbraw/zinc/01/12/18/1033011218.db2.gz YPGZUVOVZFQLFJ-ZDUSSCGKSA-N 1 1 375.860 3.849 20 5 GHBDMO COC(=O)c1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001228769870 1033088025 /nfs/dbraw/zinc/08/80/25/1033088025.db2.gz CWCSGHJWUDTXEQ-MGPUTAFESA-N 1 1 384.432 3.671 20 5 GHBDMO COC(=O)c1cc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC001228772797 1033088877 /nfs/dbraw/zinc/08/88/77/1033088877.db2.gz ZEMGBDNTPTUPBY-ORYQWCPZSA-N 1 1 396.443 3.671 20 5 GHBDMO CCOc1cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000755067987 1023059399 /nfs/dbraw/zinc/05/93/99/1023059399.db2.gz VTGHYGMDZAIMLH-ZBFHGGJFSA-N 1 1 393.484 3.729 20 5 GHBDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000755765857 1023368327 /nfs/dbraw/zinc/36/83/27/1023368327.db2.gz XRGBPFVXZGKXLB-GOSISDBHSA-N 1 1 390.447 3.725 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755834413 1023396629 /nfs/dbraw/zinc/39/66/29/1023396629.db2.gz LLKHSYUSWYEBSV-WBVHZDCISA-N 1 1 384.432 3.671 20 5 GHBDMO COc1ccc(CC(=O)O[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000755874758 1023414268 /nfs/dbraw/zinc/41/42/68/1023414268.db2.gz SRFHWVUTHMKFEP-VQIMIIECSA-N 1 1 398.459 3.600 20 5 GHBDMO COc1ccc([C@H]2[C@@H](COC(=O)CCc3cccc([N+](=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000756283648 1023576951 /nfs/dbraw/zinc/57/69/51/1023576951.db2.gz FHQODQXAHHYTOH-GCJKJVERSA-N 1 1 398.459 3.772 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1F ZINC000831936281 1025038371 /nfs/dbraw/zinc/03/83/71/1025038371.db2.gz KGIVQCNCPAANSY-OLZOCXBDSA-N 1 1 381.423 3.564 20 5 GHBDMO COCCC1(Nc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CCC(F)(F)CC1 ZINC001161912953 1025492884 /nfs/dbraw/zinc/49/28/84/1025492884.db2.gz LVYFOXGAKVAKIC-ONNFQVAWSA-N 1 1 384.427 3.919 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839157952 1025659214 /nfs/dbraw/zinc/65/92/14/1025659214.db2.gz SIZUEUCCQWHFSN-FQEVSTJZSA-N 1 1 392.402 3.827 20 5 GHBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC001162530600 1025781863 /nfs/dbraw/zinc/78/18/63/1025781863.db2.gz JUEGDOWZFQJXNO-IAGOWNOFSA-N 1 1 398.507 3.538 20 5 GHBDMO CC[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001162723862 1025891929 /nfs/dbraw/zinc/89/19/29/1025891929.db2.gz BDFUODBMHSUHAZ-OALUTQOASA-N 1 1 391.418 3.965 20 5 GHBDMO CC[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001162723862 1025891949 /nfs/dbraw/zinc/89/19/49/1025891949.db2.gz BDFUODBMHSUHAZ-OALUTQOASA-N 1 1 391.418 3.965 20 5 GHBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001461044996 1069356316 /nfs/dbraw/zinc/35/63/16/1069356316.db2.gz QPENPRLTOFAEIG-MRXNPFEDSA-N 1 1 385.489 3.912 20 5 GHBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001461044994 1069357259 /nfs/dbraw/zinc/35/72/59/1069357259.db2.gz QPENPRLTOFAEIG-INIZCTEOSA-N 1 1 385.489 3.912 20 5 GHBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(C3CCOCC3)CC2)c1Br ZINC000839528913 1026014956 /nfs/dbraw/zinc/01/49/56/1026014956.db2.gz SOBAMLSDWOVEEQ-UHFFFAOYSA-N 1 1 383.286 3.996 20 5 GHBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000839594407 1026095552 /nfs/dbraw/zinc/09/55/52/1026095552.db2.gz UTKVFUKIDISUJC-KRWDZBQOSA-N 1 1 377.485 3.716 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839642059 1026150211 /nfs/dbraw/zinc/15/02/11/1026150211.db2.gz OZTGRLSOXWWFKW-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839642059 1026150219 /nfs/dbraw/zinc/15/02/19/1026150219.db2.gz OZTGRLSOXWWFKW-INIZCTEOSA-N 1 1 395.253 3.531 20 5 GHBDMO CN1Cc2cc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)cc([N+](=O)[O-])c2N1 ZINC001164499477 1026536903 /nfs/dbraw/zinc/53/69/03/1026536903.db2.gz RCWIXQRXKZZNEB-LSTHTHJFSA-N 1 1 393.491 3.690 20 5 GHBDMO CC(C)(C)c1ccc(C[NH+]2CCN(c3nc(Cl)ncc3[N+](=O)[O-])CC2)cc1 ZINC001165097574 1026605681 /nfs/dbraw/zinc/60/56/81/1026605681.db2.gz FPVWMOAYXAKORK-UHFFFAOYSA-N 1 1 389.887 3.658 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)nc1-c1ccncc1 ZINC000840079867 1027150895 /nfs/dbraw/zinc/15/08/95/1027150895.db2.gz PHBZJTWYJZAVQQ-INIZCTEOSA-N 1 1 383.839 3.954 20 5 GHBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)nc1-c1ccncc1 ZINC000840079867 1027150904 /nfs/dbraw/zinc/15/09/04/1027150904.db2.gz PHBZJTWYJZAVQQ-INIZCTEOSA-N 1 1 383.839 3.954 20 5 GHBDMO Cc1nn(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840179292 1027316788 /nfs/dbraw/zinc/31/67/88/1027316788.db2.gz QOTFPXHJMFVVEJ-IBGZPJMESA-N 1 1 377.448 3.875 20 5 GHBDMO O=[N+]([O-])c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1F ZINC000842076445 1029057037 /nfs/dbraw/zinc/05/70/37/1029057037.db2.gz NHUWRUGINUREBV-OAHLLOKOSA-N 1 1 378.375 3.543 20 5 GHBDMO O=[N+]([O-])c1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1Br ZINC000843127008 1029817787 /nfs/dbraw/zinc/81/77/87/1029817787.db2.gz NVOORRHTPRWNJW-LSDHHAIUSA-N 1 1 382.302 3.569 20 5 GHBDMO Cc1c([N+](=O)[O-])ccc(F)c1-c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001216957780 1030031560 /nfs/dbraw/zinc/03/15/60/1030031560.db2.gz QOACCLKTWVKRKJ-UHFFFAOYSA-N 1 1 398.394 3.592 20 5 GHBDMO C[N@H+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CCC1(C)C ZINC001149581806 1030231807 /nfs/dbraw/zinc/23/18/07/1030231807.db2.gz LMFNKGGPZNXURB-UHFFFAOYSA-N 1 1 378.231 3.597 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223488967 1030601017 /nfs/dbraw/zinc/60/10/17/1030601017.db2.gz WTOBZANOAYUVPT-YWZLYKJASA-N 1 1 385.420 3.930 20 5 GHBDMO CC(C)COc1ccc(-c2nnc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC001217714118 1030623680 /nfs/dbraw/zinc/62/36/80/1030623680.db2.gz CLRWCXGVMOULIU-GOSISDBHSA-N 1 1 382.420 3.922 20 5 GHBDMO O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H]4C[NH2+]CCC[C@H]4F)ccc3c21 ZINC001217973883 1030698920 /nfs/dbraw/zinc/69/89/20/1030698920.db2.gz CSXVGFYZHLPBRB-CRAIPNDOSA-N 1 1 383.375 3.867 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001224094826 1030882904 /nfs/dbraw/zinc/88/29/04/1030882904.db2.gz GGVMIRPZYSVYRI-YWZLYKJASA-N 1 1 385.420 3.930 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224986036 1031201640 /nfs/dbraw/zinc/20/16/40/1031201640.db2.gz CTVGVQBGRJVMIR-LAUBAEHRSA-N 1 1 398.459 3.565 20 5 GHBDMO C[NH+](C)CCCCCNC(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001219920209 1031695266 /nfs/dbraw/zinc/69/52/66/1031695266.db2.gz BJNNYYSNYYNJMH-QHCPKHFHSA-N 1 1 377.532 3.711 20 5 GHBDMO Cc1c(CNC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001226215748 1031857953 /nfs/dbraw/zinc/85/79/53/1031857953.db2.gz FFFKUERDWPHIEX-IAGOWNOFSA-N 1 1 396.491 3.708 20 5 GHBDMO COC(=O)Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001226216734 1031858436 /nfs/dbraw/zinc/85/84/36/1031858436.db2.gz KWLWLHMMYDDOAQ-OXJNMPFZSA-N 1 1 398.459 3.600 20 5 GHBDMO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2ncc([N+](=O)[O-])cc2Cl)O1 ZINC001226257038 1031882004 /nfs/dbraw/zinc/88/20/04/1031882004.db2.gz CIKGMEYKJLUJNJ-MRXNPFEDSA-N 1 1 391.855 3.702 20 5 GHBDMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2ncc([N+](=O)[O-])cc2Cl)O1 ZINC001226257038 1031882018 /nfs/dbraw/zinc/88/20/18/1031882018.db2.gz CIKGMEYKJLUJNJ-MRXNPFEDSA-N 1 1 391.855 3.702 20 5 GHBDMO Cc1cc(=O)oc2c1ccc(O[C@H]1C[N@H+](Cc3ccccc3)C[C@@H]1C)c2[N+](=O)[O-] ZINC001229946251 1033808038 /nfs/dbraw/zinc/80/80/38/1033808038.db2.gz MJSHMVQEBFTQMX-KXBFYZLASA-N 1 1 394.427 3.909 20 5 GHBDMO COc1c(O)cc(O[C@H](C)C[N+](C)(C)C)c2c(=O)cc(-c3ccccc3)oc12 ZINC001229980274 1033829497 /nfs/dbraw/zinc/82/94/97/1033829497.db2.gz PVHIYCSUAHQRPX-CQSZACIVSA-O 1 1 384.452 3.648 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001230495011 1034090750 /nfs/dbraw/zinc/09/07/50/1034090750.db2.gz XWERPZDJZDRWQW-GJZGRUSLSA-N 1 1 386.408 3.811 20 5 GHBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001230495011 1034090768 /nfs/dbraw/zinc/09/07/68/1034090768.db2.gz XWERPZDJZDRWQW-GJZGRUSLSA-N 1 1 386.408 3.811 20 5 GHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001207103675 1034095685 /nfs/dbraw/zinc/09/56/85/1034095685.db2.gz ZCGNBBMUYYJRQC-NVXWUHKLSA-N 1 1 380.448 3.594 20 5 GHBDMO O=[N+]([O-])c1cccc2ncnc(O[C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)c21 ZINC001231054411 1034368487 /nfs/dbraw/zinc/36/84/87/1034368487.db2.gz AMXVROALPZYKRU-OAHLLOKOSA-N 1 1 382.395 3.721 20 5 GHBDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231056491 1034369360 /nfs/dbraw/zinc/36/93/60/1034369360.db2.gz SSJVBVMDDMSFAT-LSDHHAIUSA-N 1 1 379.420 3.537 20 5 GHBDMO Cc1c(Br)c(O[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001231093600 1034394205 /nfs/dbraw/zinc/39/42/05/1034394205.db2.gz ZPNLKINYWGYVGM-AWEZNQCLSA-N 1 1 392.253 3.714 20 5 GHBDMO Cc1c(Br)c(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001231093600 1034394215 /nfs/dbraw/zinc/39/42/15/1034394215.db2.gz ZPNLKINYWGYVGM-AWEZNQCLSA-N 1 1 392.253 3.714 20 5 GHBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccccc4[N+](=O)[O-])cc3)C[C@H]1[N@H+]2C ZINC001231253678 1034486867 /nfs/dbraw/zinc/48/68/67/1034486867.db2.gz OTLPPJLVCAFVEK-BYZLFZLASA-N 1 1 396.443 3.807 20 5 GHBDMO [NH3+]Cc1nccnc1Nc1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001160246073 1034916342 /nfs/dbraw/zinc/91/63/42/1034916342.db2.gz UXKNAVMBKAPSLD-UHFFFAOYSA-N 1 1 390.762 3.567 20 5 GHBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001232225319 1035171276 /nfs/dbraw/zinc/17/12/76/1035171276.db2.gz ATZLLJCZPKWKJA-HKUYNNGSSA-N 1 1 390.487 3.834 20 5 GHBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3nccc4cc([N+](=O)[O-])ccc43)C2)c1 ZINC001161193507 1035174671 /nfs/dbraw/zinc/17/46/71/1035174671.db2.gz NQFUOKBUOTZGHV-KRWDZBQOSA-N 1 1 378.432 3.838 20 5 GHBDMO [NH3+][C@H](Cc1cccc(O)c1)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248162025 1035589967 /nfs/dbraw/zinc/58/99/67/1035589967.db2.gz GRGMJCRHTSXDFI-QGZVFWFLSA-N 1 1 383.411 3.781 20 5 GHBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC001248210030 1035641393 /nfs/dbraw/zinc/64/13/93/1035641393.db2.gz JYDYRUJNJHORSS-IBGZPJMESA-N 1 1 393.447 3.878 20 5 GHBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc(C23CC(C2)CC[N@@H+]3Cc2ccccc2)n1 ZINC001248706065 1036070412 /nfs/dbraw/zinc/07/04/12/1036070412.db2.gz XBUSKWMJGQQKIT-UHFFFAOYSA-N 1 1 395.394 3.690 20 5 GHBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc(C23CC(C2)CC[N@H+]3Cc2ccccc2)n1 ZINC001248706065 1036070434 /nfs/dbraw/zinc/07/04/34/1036070434.db2.gz XBUSKWMJGQQKIT-UHFFFAOYSA-N 1 1 395.394 3.690 20 5 GHBDMO Cc1c(F)ccc(-c2noc([C@@H]([NH3+])Cc3ccccc3[N+](=O)[O-])n2)c1Cl ZINC001247666249 1038303325 /nfs/dbraw/zinc/30/33/25/1038303325.db2.gz MXKNAXNDSMPFML-ZDUSSCGKSA-N 1 1 376.775 3.988 20 5 GHBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1[N+](=O)[O-] ZINC001233707331 1039554297 /nfs/dbraw/zinc/55/42/97/1039554297.db2.gz ISBBJQSDEBNEMO-OXFYSEKESA-N 1 1 383.404 3.792 20 5 GHBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001233984161 1039742905 /nfs/dbraw/zinc/74/29/05/1039742905.db2.gz DNZAVJURSLDHRR-GOSISDBHSA-N 1 1 388.439 3.697 20 5 GHBDMO COC(=O)c1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001234058350 1039792239 /nfs/dbraw/zinc/79/22/39/1039792239.db2.gz OMLKFTJGXXIAPG-INIZCTEOSA-N 1 1 388.395 3.564 20 5 GHBDMO C[C@H](Oc1nccc2c1cccc2[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234674340 1040206148 /nfs/dbraw/zinc/20/61/48/1040206148.db2.gz NRKZLVNWWIQGLC-HRAATJIYSA-N 1 1 393.443 3.811 20 5 GHBDMO C[C@H](Oc1nccc2c1cccc2[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234674340 1040206163 /nfs/dbraw/zinc/20/61/63/1040206163.db2.gz NRKZLVNWWIQGLC-HRAATJIYSA-N 1 1 393.443 3.811 20 5 GHBDMO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254475192 1040262954 /nfs/dbraw/zinc/26/29/54/1040262954.db2.gz BRNNCQSQDQZYGW-GOSISDBHSA-N 1 1 391.468 3.590 20 5 GHBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC[C@H](Oc4ccncc4)C3)CC2)cc1 ZINC001254482053 1040270281 /nfs/dbraw/zinc/27/02/81/1040270281.db2.gz HOLGRDZALRLANQ-NRFANRHFSA-N 1 1 382.464 3.502 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001254559648 1040332212 /nfs/dbraw/zinc/33/22/12/1040332212.db2.gz LNHIZNCMXLHWHC-KBAYOESNSA-N 1 1 389.496 3.715 20 5 GHBDMO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2c1cnn2CC1CC1 ZINC001254560808 1040334718 /nfs/dbraw/zinc/33/47/18/1040334718.db2.gz HKTJSVMWNALXQC-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO CCOC[C@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2c1cnn2CC1CC1 ZINC001254560808 1040334729 /nfs/dbraw/zinc/33/47/29/1040334729.db2.gz HKTJSVMWNALXQC-QFBILLFUSA-N 1 1 398.507 3.768 20 5 GHBDMO CC(C)COC[C@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(C)c21 ZINC001254560857 1040334853 /nfs/dbraw/zinc/33/48/53/1040334853.db2.gz HXZWFCOVQGFGKY-FUHWJXTLSA-N 1 1 386.496 3.531 20 5 GHBDMO CC(C)COC[C@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2ncn(C)c21 ZINC001254560857 1040334868 /nfs/dbraw/zinc/33/48/68/1040334868.db2.gz HXZWFCOVQGFGKY-FUHWJXTLSA-N 1 1 386.496 3.531 20 5 GHBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001254570914 1040347700 /nfs/dbraw/zinc/34/77/00/1040347700.db2.gz QRHCXVYIOSWRMD-FOIQADDNSA-N 1 1 377.485 3.763 20 5 GHBDMO Cn1c2ccccc2nc1[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254590852 1040364196 /nfs/dbraw/zinc/36/41/96/1040364196.db2.gz ZNGVPENIZLJRCB-VGSWGCGISA-N 1 1 399.454 3.723 20 5 GHBDMO C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001254598651 1040371862 /nfs/dbraw/zinc/37/18/62/1040371862.db2.gz LBZWAEDRLMKKMT-LSBZLQRGSA-N 1 1 389.496 3.545 20 5 GHBDMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602300 1040372431 /nfs/dbraw/zinc/37/24/31/1040372431.db2.gz CVQIWUBXQNLSHQ-IAECCPNBSA-N 1 1 399.535 3.857 20 5 GHBDMO C[N@H+](Cc1ccccc1F)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607722 1040379209 /nfs/dbraw/zinc/37/92/09/1040379209.db2.gz MPSDQDWQPOWAFW-NRFANRHFSA-N 1 1 383.467 3.798 20 5 GHBDMO C[N@@H+](Cc1ccccc1F)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607722 1040379217 /nfs/dbraw/zinc/37/92/17/1040379217.db2.gz MPSDQDWQPOWAFW-NRFANRHFSA-N 1 1 383.467 3.798 20 5 GHBDMO COc1ccc([N+](=O)[O-])c(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001255388279 1040976244 /nfs/dbraw/zinc/97/62/44/1040976244.db2.gz VRQVQBDOYUEDLG-HNNXBMFYSA-N 1 1 380.404 3.643 20 5 GHBDMO O=[N+]([O-])c1cnc2[nH]c(-c3nnc([C@@H]4CC[N@@H+](Cc5ccccc5)C4)o3)cc2c1 ZINC001255403698 1040990787 /nfs/dbraw/zinc/99/07/87/1040990787.db2.gz FLZJGWXDADAOQB-CQSZACIVSA-N 1 1 390.403 3.511 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255436705 1041033024 /nfs/dbraw/zinc/03/30/24/1041033024.db2.gz IQZLYSKCHLIRFK-INIZCTEOSA-N 1 1 394.431 3.567 20 5 GHBDMO COc1ccc([N+](=O)[O-])cc1-c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255486617 1041083574 /nfs/dbraw/zinc/08/35/74/1041083574.db2.gz KEIJIJILUZGDCX-OAHLLOKOSA-N 1 1 380.404 3.643 20 5 GHBDMO C[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001295095672 1044913489 /nfs/dbraw/zinc/91/34/89/1044913489.db2.gz UWYDGTXWGNYACR-RHSMWYFYSA-N 1 1 377.803 3.563 20 5 GHBDMO C[N@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001295095672 1044913492 /nfs/dbraw/zinc/91/34/92/1044913492.db2.gz UWYDGTXWGNYACR-RHSMWYFYSA-N 1 1 377.803 3.563 20 5 GHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001302280460 1046900023 /nfs/dbraw/zinc/90/00/23/1046900023.db2.gz DQHSWDNCVBXLRN-DOTOQJQBSA-N 1 1 392.459 3.574 20 5 GHBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC001306995053 1048996994 /nfs/dbraw/zinc/99/69/94/1048996994.db2.gz JPYWBUGJQGKBHK-HNNXBMFYSA-N 1 1 391.855 3.952 20 5 GHBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001307077019 1049057758 /nfs/dbraw/zinc/05/77/58/1049057758.db2.gz OTAPINUULYLQLU-AWEZNQCLSA-N 1 1 376.888 3.998 20 5 GHBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c2c1 ZINC001307088132 1049066579 /nfs/dbraw/zinc/06/65/79/1049066579.db2.gz CHDUURWASJKTAN-YWZLYKJASA-N 1 1 392.459 3.506 20 5 GHBDMO Cn1c2ccccc2c(NC[C@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1=O ZINC001307106189 1049078579 /nfs/dbraw/zinc/07/85/79/1049078579.db2.gz CHOBNTKIFFPTIN-MRXNPFEDSA-N 1 1 384.480 3.656 20 5 GHBDMO CC[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1c1ccccc1 ZINC001307519140 1049363308 /nfs/dbraw/zinc/36/33/08/1049363308.db2.gz AXEKADNEIWANIY-UWJYYQICSA-N 1 1 393.487 4.000 20 5 GHBDMO CCOc1ccccc1C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC001307717415 1049532798 /nfs/dbraw/zinc/53/27/98/1049532798.db2.gz ZULLOXGOXIZXOI-GOSISDBHSA-N 1 1 399.491 3.579 20 5 GHBDMO CCOc1ccccc1C[N@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC001307717415 1049532810 /nfs/dbraw/zinc/53/28/10/1049532810.db2.gz ZULLOXGOXIZXOI-GOSISDBHSA-N 1 1 399.491 3.579 20 5 GHBDMO CCOc1ccccc1CN1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC001307717415 1049532824 /nfs/dbraw/zinc/53/28/24/1049532824.db2.gz ZULLOXGOXIZXOI-GOSISDBHSA-N 1 1 399.491 3.579 20 5 GHBDMO CCOc1ccccc1CN1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC001307717415 1049532838 /nfs/dbraw/zinc/53/28/38/1049532838.db2.gz ZULLOXGOXIZXOI-GOSISDBHSA-N 1 1 399.491 3.579 20 5 GHBDMO CCOc1cc(N2CC[NH+](CCO[C@H]3CCCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001307735160 1049548556 /nfs/dbraw/zinc/54/85/56/1049548556.db2.gz WNSWJZJDXQEHNJ-PXNSSMCTSA-N 1 1 391.512 3.711 20 5 GHBDMO COc1ccc(C[N@@H+]2CCCN(c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC001307748051 1049561280 /nfs/dbraw/zinc/56/12/80/1049561280.db2.gz LKTJYMCODCJUEJ-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO COc1ccc(C[N@H+]2CCCN(c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC001307748051 1049561286 /nfs/dbraw/zinc/56/12/86/1049561286.db2.gz LKTJYMCODCJUEJ-UHFFFAOYSA-N 1 1 375.856 3.969 20 5 GHBDMO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307779063 1049586668 /nfs/dbraw/zinc/58/66/68/1049586668.db2.gz IZHXQSLBSGDVKY-NQIIRXRSSA-N 1 1 395.503 3.830 20 5 GHBDMO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307779063 1049586674 /nfs/dbraw/zinc/58/66/74/1049586674.db2.gz IZHXQSLBSGDVKY-NQIIRXRSSA-N 1 1 395.503 3.830 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001308039361 1049789982 /nfs/dbraw/zinc/78/99/82/1049789982.db2.gz IQXQADQPDNATIO-QGZVFWFLSA-N 1 1 393.484 3.825 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001308039361 1049789992 /nfs/dbraw/zinc/78/99/92/1049789992.db2.gz IQXQADQPDNATIO-QGZVFWFLSA-N 1 1 393.484 3.825 20 5 GHBDMO COC(=O)COc1ccc(C[N@H+]2CCCCC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001308611206 1050031256 /nfs/dbraw/zinc/03/12/56/1050031256.db2.gz PJYVTFVSRSANDX-QGZVFWFLSA-N 1 1 378.469 3.937 20 5 GHBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)o1 ZINC001328041747 1050370383 /nfs/dbraw/zinc/37/03/83/1050370383.db2.gz PJSFCBQJQJWWJQ-CQSZACIVSA-N 1 1 387.827 3.937 20 5 GHBDMO C[C@@H](c1ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1)[NH+]1CCOCC1 ZINC001329884851 1050916756 /nfs/dbraw/zinc/91/67/56/1050916756.db2.gz YIPSLTRPPVQJML-HNNXBMFYSA-N 1 1 396.447 3.536 20 5 GHBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001311331576 1052025213 /nfs/dbraw/zinc/02/52/13/1052025213.db2.gz NLKGFIHUQDNBMW-AZUAARDMSA-N 1 1 398.463 3.513 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001313281031 1053005155 /nfs/dbraw/zinc/00/51/55/1053005155.db2.gz TYELNDHFPLLEPS-IAGOWNOFSA-N 1 1 382.464 3.572 20 5 GHBDMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001313281031 1053005160 /nfs/dbraw/zinc/00/51/60/1053005160.db2.gz TYELNDHFPLLEPS-IAGOWNOFSA-N 1 1 382.464 3.572 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(Br)c1 ZINC001342948734 1053452942 /nfs/dbraw/zinc/45/29/42/1053452942.db2.gz FZIOTOSLWAEVLR-UONOGXRCSA-N 1 1 383.286 3.996 20 5 GHBDMO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H](C(N)=O)C1 ZINC001343091092 1053545602 /nfs/dbraw/zinc/54/56/02/1053545602.db2.gz VMEFPKFPCVEJGP-MEDUHNTESA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H](C(N)=O)C1 ZINC001343091092 1053545613 /nfs/dbraw/zinc/54/56/13/1053545613.db2.gz VMEFPKFPCVEJGP-MEDUHNTESA-N 1 1 377.828 3.594 20 5 GHBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001344075206 1054227843 /nfs/dbraw/zinc/22/78/43/1054227843.db2.gz JXGLMZWIPUNSBY-AWEZNQCLSA-N 1 1 393.871 3.661 20 5 GHBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001317976525 1054336748 /nfs/dbraw/zinc/33/67/48/1054336748.db2.gz LTKBFMFEGANCOJ-GOSISDBHSA-N 1 1 396.491 3.882 20 5 GHBDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001318644800 1054767575 /nfs/dbraw/zinc/76/75/75/1054767575.db2.gz UTOZZTSEUWLHTD-OAQYLSRUSA-N 1 1 381.476 3.617 20 5 GHBDMO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC001320371383 1055776589 /nfs/dbraw/zinc/77/65/89/1055776589.db2.gz GIZOAZRFFGGVRE-LJQANCHMSA-N 1 1 394.479 3.940 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(Br)c1 ZINC001320704841 1055934373 /nfs/dbraw/zinc/93/43/73/1055934373.db2.gz GXNWDSWEIFIJCT-SFHVURJKSA-N 1 1 389.249 3.989 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(Br)c1 ZINC001320704841 1055934380 /nfs/dbraw/zinc/93/43/80/1055934380.db2.gz GXNWDSWEIFIJCT-SFHVURJKSA-N 1 1 389.249 3.989 20 5 GHBDMO CN1CCN(c2ccccc2C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC001320958465 1056033343 /nfs/dbraw/zinc/03/33/43/1056033343.db2.gz JUFDESWYNIUNKH-NRFANRHFSA-N 1 1 394.519 3.859 20 5 GHBDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CCO2 ZINC001321203129 1056155712 /nfs/dbraw/zinc/15/57/12/1056155712.db2.gz XFCQOBZBKHDMKC-BFUOFWGJSA-N 1 1 392.839 3.888 20 5 GHBDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CCO2 ZINC001321203129 1056155717 /nfs/dbraw/zinc/15/57/17/1056155717.db2.gz XFCQOBZBKHDMKC-BFUOFWGJSA-N 1 1 392.839 3.888 20 5 GHBDMO COC[C@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001324356860 1057119470 /nfs/dbraw/zinc/11/94/70/1057119470.db2.gz AXGOFFBMZGBCMD-SWLSCSKDSA-N 1 1 380.828 3.744 20 5 GHBDMO COC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001324356860 1057119473 /nfs/dbraw/zinc/11/94/73/1057119473.db2.gz AXGOFFBMZGBCMD-SWLSCSKDSA-N 1 1 380.828 3.744 20 5 GHBDMO CCOc1ccc(NC(=O)C[NH2+]C2(c3ccccc3OC)CCC2)c([N+](=O)[O-])c1 ZINC001324889769 1057241483 /nfs/dbraw/zinc/24/14/83/1057241483.db2.gz CMIDKHQRZXUZPO-UHFFFAOYSA-N 1 1 399.447 3.610 20 5 GHBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1F ZINC001325982235 1057390991 /nfs/dbraw/zinc/39/09/91/1057390991.db2.gz VRCGXLPEIGBZAY-UHFFFAOYSA-N 1 1 375.400 3.593 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001447513346 1059975557 /nfs/dbraw/zinc/97/55/57/1059975557.db2.gz SDQYSDRKTINTFN-MRXNPFEDSA-N 1 1 387.867 3.985 20 5 GHBDMO CC[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001447513346 1059975559 /nfs/dbraw/zinc/97/55/59/1059975559.db2.gz SDQYSDRKTINTFN-MRXNPFEDSA-N 1 1 387.867 3.985 20 5 GHBDMO CNc1ccc(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001448122911 1060112800 /nfs/dbraw/zinc/11/28/00/1060112800.db2.gz NLNMACLTOWWYPL-IBGZPJMESA-N 1 1 384.480 3.523 20 5 GHBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001454874064 1061948441 /nfs/dbraw/zinc/94/84/41/1061948441.db2.gz HUUIUMIEVGACDN-FQEVSTJZSA-N 1 1 388.512 3.700 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC001435567724 1062741907 /nfs/dbraw/zinc/74/19/07/1062741907.db2.gz WZCUTXRPORWDIQ-DLBZAZTESA-N 1 1 381.476 3.947 20 5 GHBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC001435567724 1062741929 /nfs/dbraw/zinc/74/19/29/1062741929.db2.gz WZCUTXRPORWDIQ-DLBZAZTESA-N 1 1 381.476 3.947 20 5 GHBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435701281 1062867255 /nfs/dbraw/zinc/86/72/55/1062867255.db2.gz HLCKFKBHYDIVLZ-UHVFKWDWSA-N 1 1 393.487 3.725 20 5 GHBDMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001458044037 1063524602 /nfs/dbraw/zinc/52/46/02/1063524602.db2.gz GGKIZFBRUDVLGP-OAHLLOKOSA-N 1 1 382.851 3.905 20 5 GHBDMO Cc1cc(NC[C@H]2CCC[N@H+](CC(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458266935 1063707145 /nfs/dbraw/zinc/70/71/45/1063707145.db2.gz FKSKZUAHKYVNNL-QGZVFWFLSA-N 1 1 383.496 3.562 20 5 GHBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC001459773188 1064210155 /nfs/dbraw/zinc/21/01/55/1064210155.db2.gz ZGKQMYJGBHMLEN-CVEARBPZSA-N 1 1 379.501 3.554 20 5 GHBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC001459773205 1064210413 /nfs/dbraw/zinc/21/04/13/1064210413.db2.gz ZGKQMYJGBHMLEN-JKSUJKDBSA-N 1 1 379.501 3.554 20 5 GHBDMO C[N@H+]1C[C@@]23CN(C(=O)c4cc([N+](=O)[O-])ccc4C(F)(F)F)C[C@]2(C1)CCCC3 ZINC001463472474 1064384663 /nfs/dbraw/zinc/38/46/63/1064384663.db2.gz MZPFWKBJGMMWEA-HDICACEKSA-N 1 1 397.397 3.562 20 5 GHBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001464965954 1065294695 /nfs/dbraw/zinc/29/46/95/1065294695.db2.gz VJDSRLWAPVMUII-UHFFFAOYSA-N 1 1 389.883 3.947 20 5 GHBDMO C[C@H]1CCC[N@H+]1CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001200384054 1066054557 /nfs/dbraw/zinc/05/45/57/1066054557.db2.gz MXAWOMNSEMLMGH-HNNXBMFYSA-N 1 1 384.436 3.993 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001467403451 1067278694 /nfs/dbraw/zinc/27/86/94/1067278694.db2.gz DEBJPYVNPKNCKN-NRFANRHFSA-N 1 1 399.466 3.790 20 5 GHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001467403451 1067278704 /nfs/dbraw/zinc/27/87/04/1067278704.db2.gz DEBJPYVNPKNCKN-NRFANRHFSA-N 1 1 399.466 3.790 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001467888128 1067515963 /nfs/dbraw/zinc/51/59/63/1067515963.db2.gz GAYGSZSIQZHFTH-NRFANRHFSA-N 1 1 399.466 3.790 20 5 GHBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001467888128 1067515972 /nfs/dbraw/zinc/51/59/72/1067515972.db2.gz GAYGSZSIQZHFTH-NRFANRHFSA-N 1 1 399.466 3.790 20 5 GHBDMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473431530 1067559173 /nfs/dbraw/zinc/55/91/73/1067559173.db2.gz GCVGOTQXQBBMOU-APWZRJJASA-N 1 1 379.460 3.670 20 5 GHBDMO CN(C)c1[nH+]ccc2cc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)ccc21 ZINC001460273179 1068900799 /nfs/dbraw/zinc/90/07/99/1068900799.db2.gz SFAISSTZIMCHPO-UHFFFAOYSA-N 1 1 382.445 3.940 20 5 GHBDMO CC[N@@H+](CCOc1ccccc1C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001460282149 1068905637 /nfs/dbraw/zinc/90/56/37/1068905637.db2.gz DNDFGMHYYBGJQD-KRWDZBQOSA-N 1 1 385.464 3.940 20 5 GHBDMO CC1=Nc2ccccc2C12CC[NH+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC001460394088 1068952004 /nfs/dbraw/zinc/95/20/04/1068952004.db2.gz RHTPVTJVZFBLFN-UHFFFAOYSA-N 1 1 392.459 3.982 20 5 GHBDMO CC(C)Oc1cc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001460616293 1069033068 /nfs/dbraw/zinc/03/30/68/1069033068.db2.gz JLKZZLVCTTURDV-MRXNPFEDSA-N 1 1 385.464 3.632 20 5 GHBDMO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccc(Br)c1 ZINC001460660226 1069066448 /nfs/dbraw/zinc/06/64/48/1069066448.db2.gz HIHDAMQLCQBSSC-INIZCTEOSA-N 1 1 395.253 3.843 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001460678974 1069080683 /nfs/dbraw/zinc/08/06/83/1069080683.db2.gz SMKAHYCZLPXRAM-MRXNPFEDSA-N 1 1 383.448 3.812 20 5 GHBDMO COc1ccccc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001460678974 1069080688 /nfs/dbraw/zinc/08/06/88/1069080688.db2.gz SMKAHYCZLPXRAM-MRXNPFEDSA-N 1 1 383.448 3.812 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@]2(C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001460682248 1069083811 /nfs/dbraw/zinc/08/38/11/1069083811.db2.gz BYKNUIAVMXQMMV-FQEVSTJZSA-N 1 1 375.469 3.977 20 5 GHBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@]2(C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001460682248 1069083813 /nfs/dbraw/zinc/08/38/13/1069083813.db2.gz BYKNUIAVMXQMMV-FQEVSTJZSA-N 1 1 375.469 3.977 20 5 GHBDMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001471322445 1073017912 /nfs/dbraw/zinc/01/79/12/1073017912.db2.gz SPJNOFSLCVSDFF-MRXNPFEDSA-N 1 1 376.501 3.809 20 5 GHBDMO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001472740595 1073645093 /nfs/dbraw/zinc/64/50/93/1073645093.db2.gz PPQRSPMXOSFQII-UHFFFAOYSA-N 1 1 384.267 3.712 20 5 GHBDMO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC[N@H+]1Cc1ccccc1 ZINC001472754214 1073650883 /nfs/dbraw/zinc/65/08/83/1073650883.db2.gz ZSPRGIFDPLCDTB-GOSISDBHSA-N 1 1 397.475 3.791 20 5 GHBDMO C[C@@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccccc1[N+](=O)[O-] ZINC001479212818 1079155591 /nfs/dbraw/zinc/15/55/91/1079155591.db2.gz GKEFJXAGRZUESX-KZNAEPCWSA-N 1 1 388.512 3.952 20 5 GHBDMO CC(C)[N@@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001473121745 1073790347 /nfs/dbraw/zinc/79/03/47/1073790347.db2.gz HFNUPYXYEAADHV-UHFFFAOYSA-N 1 1 383.492 3.838 20 5 GHBDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473190859 1073842985 /nfs/dbraw/zinc/84/29/85/1073842985.db2.gz VBPLHVRUEGCINY-AUUYWEPGSA-N 1 1 383.423 3.706 20 5 GHBDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001473190859 1073843000 /nfs/dbraw/zinc/84/30/00/1073843000.db2.gz VBPLHVRUEGCINY-AUUYWEPGSA-N 1 1 383.423 3.706 20 5 GHBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473426631 1073960293 /nfs/dbraw/zinc/96/02/93/1073960293.db2.gz FUQCEWUMFAVWSA-QGZVFWFLSA-N 1 1 399.285 3.769 20 5 GHBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(I)cc1 ZINC001473463495 1073977301 /nfs/dbraw/zinc/97/73/01/1073977301.db2.gz UZMGTVAZPGBAKP-UHFFFAOYSA-N 1 1 396.228 3.874 20 5 GHBDMO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H](CO)CC(C)(C)C ZINC001473476779 1073982954 /nfs/dbraw/zinc/98/29/54/1073982954.db2.gz UWGCRQPFXQLFJP-LBPRGKRZSA-N 1 1 382.848 3.527 20 5 GHBDMO O=C1[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccc(F)cc1 ZINC001473486673 1073985550 /nfs/dbraw/zinc/98/55/50/1073985550.db2.gz MQGIYWYUQDYPJJ-OXQOHEQNSA-N 1 1 383.423 3.719 20 5 GHBDMO O=C1[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1c1ccc(F)cc1 ZINC001473486673 1073985552 /nfs/dbraw/zinc/98/55/52/1073985552.db2.gz MQGIYWYUQDYPJJ-OXQOHEQNSA-N 1 1 383.423 3.719 20 5 GHBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001473526459 1074002229 /nfs/dbraw/zinc/00/22/29/1074002229.db2.gz GIHVIYZPVNYDDS-ZBFHGGJFSA-N 1 1 393.484 3.586 20 5 GHBDMO CC1(C)[C@H](c2ccccc2F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473726529 1074110796 /nfs/dbraw/zinc/11/07/96/1074110796.db2.gz HCBCTLQIGVADDL-SFHVURJKSA-N 1 1 397.450 3.891 20 5 GHBDMO O=C(C[N@@H+]1CCC[C@@H](OC2CCC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001473727161 1074110958 /nfs/dbraw/zinc/11/09/58/1074110958.db2.gz AMYZNOGKMUSDID-OAHLLOKOSA-N 1 1 381.860 3.610 20 5 GHBDMO O=C(C[N@H+]1CCC[C@@H](OC2CCC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001473727161 1074110964 /nfs/dbraw/zinc/11/09/64/1074110964.db2.gz AMYZNOGKMUSDID-OAHLLOKOSA-N 1 1 381.860 3.610 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ncc(Br)cn3)C2)c(F)c1 ZINC001473794466 1074145444 /nfs/dbraw/zinc/14/54/44/1074145444.db2.gz PHMKZYCNDLDVDQ-GFCCVEGCSA-N 1 1 395.232 3.666 20 5 GHBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ncc(Br)cn3)C2)c(F)c1 ZINC001473794466 1074145448 /nfs/dbraw/zinc/14/54/48/1074145448.db2.gz PHMKZYCNDLDVDQ-GFCCVEGCSA-N 1 1 395.232 3.666 20 5 GHBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001473871474 1074184016 /nfs/dbraw/zinc/18/40/16/1074184016.db2.gz WNFYVZXYVITZLD-ZIAGYGMSSA-N 1 1 383.286 3.996 20 5 GHBDMO